USER MOD reduce.3.24.130724 H: found=0, std=0, add=1247, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1248 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 143 THR OG1 : rot -25:sc= 0.134 USER MOD Set 1.2: A 144 THR OG1 : rot 180:sc= 0.0083 USER MOD Set 2.1: A 103 GLN : amide:sc= -3.09! C(o=-14!,f=-19!) USER MOD Set 2.2: A 117 GLN : amide:sc= -9.72! C(o=-14!,f=-14!) USER MOD Set 2.3: A 118 MET CE :methyl 153:sc= -0.949 (180deg=-2.73!) USER MOD Set 3.1: A 101 TYR OH : rot -163:sc= -1.89! USER MOD Set 3.2: A 160 GLN : amide:sc= -0.606 K(o=-2.5,f=-8.3!) USER MOD Set 4.1: A 90 THR OG1 : rot -20:sc= 0.251 USER MOD Set 4.2: A 138 THR OG1 : rot 110:sc= 0.263 USER MOD Set 5.1: A 29 GLN : amide:sc= -3.33 K(o=-3.3,f=-9.3!) USER MOD Set 5.2: A 119 SER OG : rot 112:sc= 0.055 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.336 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= -0.257 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -57:sc= 0.606 USER MOD Single : A 45 CYS SG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.469 X(o=-0.47,f=-0.11) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 140:sc= -2.08 USER MOD Single : A 49 ASN : amide:sc= -1.08! C(o=-1.1!,f=-6!) USER MOD Single : A 50 MET CE :methyl -167:sc= -3.66 (180deg=-4.11!) USER MOD Single : A 62 ASN : amide:sc=-0.00333 K(o=-0.0033,f=-1.3) USER MOD Single : A 64 ASN : amide:sc= -0.0186 X(o=-0.019,f=-0.28) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl 156:sc= -3.29 (180deg=-5.66!) USER MOD Single : A 71 LYS NZ :NH3+ 152:sc= -0.0625 (180deg=-0.304) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 SER OG : rot 60:sc= 1.1 USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 TYR OH : rot 0:sc= -1.58 USER MOD Single : A 104 ASN : amide:sc= -0.32 K(o=-0.32,f=-2.6!) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= -1.34 USER MOD Single : A 112 GLN : amide:sc= -1.11 K(o=-1.1,f=-3.9!) USER MOD Single : A 120 THR OG1 : rot -172:sc= -1.9! USER MOD Single : A 121 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.295) USER MOD Single : A 125 GLN : amide:sc= -0.328 K(o=-0.33,f=-2.7!) USER MOD Single : A 128 GLN : amide:sc= -10.1! C(o=-10!,f=-17!) USER MOD Single : A 129 LYS NZ :NH3+ -164:sc=-0.00821 (180deg=-0.182) USER MOD Single : A 130 LYS NZ :NH3+ -177:sc= 0.797 (180deg=0.789) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 ASN : amide:sc= -0.227 X(o=-0.23,f=-0.026) USER MOD Single : A 139 THR OG1 : rot -11:sc= 0.822 USER MOD Single : A 145 ASN : amide:sc= -6.71! C(o=-6.7!,f=-2.5!) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 150 THR OG1 : rot 114:sc= 1.09 USER MOD Single : A 151 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 155 GLN : amide:sc= -3.47 K(o=-3.5,f=-5.4!) USER MOD Single : A 156 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 157 GLN : amide:sc= -0.222 K(o=-0.22,f=-2.2!) USER MOD Single : A 162 MET CE :methyl -115:sc= -8.57! (180deg=-13.1!) USER MOD Single : A 163 THR OG1 : rot -14:sc= -1.16 USER MOD Single : A 164 THR OG1 : rot 180:sc= 0 USER MOD Single : A 165 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 170 SER OG : rot 65:sc= 0.831 USER MOD Single : A 172 LYS NZ :NH3+ -140:sc= -0.61 (180deg=-1.44!) USER MOD Single : A 176 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 177 SER OG : rot -130:sc= 0.548 USER MOD Single : A 178 SER OG : rot -170:sc= -0.0813 USER MOD Single : A 184 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 185 MET CE :methyl -163:sc=-0.00528 (180deg=-0.335) USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 21 20.085 11.824 1.174 1.00 0.26 N ATOM 21 CA THR A 21 20.410 10.798 0.143 1.00 0.20 C ATOM 22 C THR A 21 19.123 10.347 -0.551 1.00 0.25 C ATOM 23 O THR A 21 18.031 10.702 -0.152 1.00 0.28 O ATOM 24 CB THR A 21 21.080 9.595 0.810 1.00 0.11 C ATOM 25 OG1 THR A 21 21.210 8.545 -0.135 1.00 0.25 O ATOM 26 CG2 THR A 21 20.231 9.122 1.989 1.00 0.29 C ATOM 0 HA THR A 21 21.089 11.227 -0.594 1.00 0.20 H new ATOM 0 HB THR A 21 22.067 9.883 1.172 1.00 0.11 H new ATOM 0 HG1 THR A 21 21.641 7.774 0.290 1.00 0.25 H new ATOM 0 HG21 THR A 21 20.711 8.265 2.462 1.00 0.29 H new ATOM 0 HG22 THR A 21 20.134 9.930 2.714 1.00 0.29 H new ATOM 0 HG23 THR A 21 19.242 8.833 1.633 1.00 0.29 H new ATOM 34 N SER A 22 19.243 9.566 -1.591 1.00 0.31 N ATOM 35 CA SER A 22 18.029 9.092 -2.315 1.00 0.38 C ATOM 36 C SER A 22 17.064 8.431 -1.330 1.00 0.34 C ATOM 37 O SER A 22 15.870 8.643 -1.382 1.00 0.45 O ATOM 38 CB SER A 22 18.434 8.078 -3.384 1.00 0.44 C ATOM 39 OG SER A 22 18.509 8.728 -4.645 1.00 1.01 O ATOM 0 H SER A 22 20.130 9.236 -1.970 1.00 0.31 H new ATOM 0 HA SER A 22 17.538 9.944 -2.786 1.00 0.38 H new ATOM 0 HB2 SER A 22 19.397 7.634 -3.133 1.00 0.44 H new ATOM 0 HB3 SER A 22 17.709 7.265 -3.424 1.00 0.44 H new ATOM 0 HG SER A 22 18.770 8.080 -5.332 1.00 1.01 H new ATOM 45 N SER A 23 17.569 7.625 -0.435 1.00 0.21 N ATOM 46 CA SER A 23 16.675 6.948 0.549 1.00 0.17 C ATOM 47 C SER A 23 15.940 7.996 1.385 1.00 0.10 C ATOM 48 O SER A 23 14.762 7.870 1.652 1.00 0.09 O ATOM 49 CB SER A 23 17.511 6.056 1.466 1.00 0.19 C ATOM 50 OG SER A 23 16.653 5.403 2.394 1.00 0.75 O ATOM 0 H SER A 23 18.561 7.406 -0.343 1.00 0.21 H new ATOM 0 HA SER A 23 15.946 6.339 0.015 1.00 0.17 H new ATOM 0 HB2 SER A 23 18.057 5.319 0.877 1.00 0.19 H new ATOM 0 HB3 SER A 23 18.253 6.653 1.996 1.00 0.19 H new ATOM 0 HG SER A 23 17.185 4.829 2.983 1.00 0.75 H new ATOM 56 N GLU A 24 16.617 9.032 1.798 1.00 0.09 N ATOM 57 CA GLU A 24 15.934 10.080 2.607 1.00 0.16 C ATOM 58 C GLU A 24 14.808 10.681 1.768 1.00 0.25 C ATOM 59 O GLU A 24 13.811 11.143 2.285 1.00 0.35 O ATOM 60 CB GLU A 24 16.932 11.174 2.994 1.00 0.26 C ATOM 61 CG GLU A 24 16.766 11.515 4.476 1.00 0.63 C ATOM 62 CD GLU A 24 17.991 12.289 4.967 1.00 1.23 C ATOM 63 OE1 GLU A 24 19.048 12.122 4.379 1.00 2.21 O ATOM 64 OE2 GLU A 24 17.854 13.034 5.923 1.00 1.62 O ATOM 0 H GLU A 24 17.606 9.198 1.612 1.00 0.09 H new ATOM 0 HA GLU A 24 15.529 9.641 3.518 1.00 0.16 H new ATOM 0 HB2 GLU A 24 17.950 10.838 2.799 1.00 0.26 H new ATOM 0 HB3 GLU A 24 16.768 12.063 2.385 1.00 0.26 H new ATOM 0 HG2 GLU A 24 15.865 12.110 4.624 1.00 0.63 H new ATOM 0 HG3 GLU A 24 16.644 10.601 5.058 1.00 0.63 H new ATOM 71 N ARG A 25 14.960 10.668 0.471 1.00 0.22 N ATOM 72 CA ARG A 25 13.897 11.227 -0.406 1.00 0.32 C ATOM 73 C ARG A 25 12.786 10.190 -0.564 1.00 0.27 C ATOM 74 O ARG A 25 11.643 10.527 -0.793 1.00 0.29 O ATOM 75 CB ARG A 25 14.483 11.566 -1.779 1.00 0.44 C ATOM 76 CG ARG A 25 15.606 12.592 -1.616 1.00 1.06 C ATOM 77 CD ARG A 25 15.761 13.394 -2.910 1.00 0.85 C ATOM 78 NE ARG A 25 16.122 12.475 -4.027 1.00 1.10 N ATOM 79 CZ ARG A 25 17.355 12.421 -4.457 1.00 2.36 C ATOM 80 NH1 ARG A 25 18.318 12.099 -3.638 1.00 3.82 N ATOM 81 NH2 ARG A 25 17.623 12.693 -5.705 1.00 2.47 N ATOM 0 H ARG A 25 15.774 10.294 -0.017 1.00 0.22 H new ATOM 0 HA ARG A 25 13.493 12.135 0.042 1.00 0.32 H new ATOM 0 HB2 ARG A 25 14.867 10.664 -2.255 1.00 0.44 H new ATOM 0 HB3 ARG A 25 13.705 11.964 -2.430 1.00 0.44 H new ATOM 0 HG2 ARG A 25 15.382 13.262 -0.786 1.00 1.06 H new ATOM 0 HG3 ARG A 25 16.541 12.087 -1.375 1.00 1.06 H new ATOM 0 HD2 ARG A 25 14.832 13.915 -3.140 1.00 0.85 H new ATOM 0 HD3 ARG A 25 16.532 14.155 -2.788 1.00 0.85 H new ATOM 0 HE ARG A 25 15.406 11.888 -4.456 1.00 1.10 H new ATOM 0 HH11 ARG A 25 18.109 11.889 -2.662 1.00 3.82 H new ATOM 0 HH12 ARG A 25 19.280 12.057 -3.974 1.00 3.82 H new ATOM 0 HH21 ARG A 25 16.870 12.948 -6.344 1.00 2.47 H new ATOM 0 HH22 ARG A 25 18.585 12.651 -6.041 1.00 2.47 H new ATOM 95 N ILE A 26 13.104 8.928 -0.431 1.00 0.22 N ATOM 96 CA ILE A 26 12.047 7.890 -0.559 1.00 0.25 C ATOM 97 C ILE A 26 11.181 7.938 0.703 1.00 0.11 C ATOM 98 O ILE A 26 10.004 7.650 0.668 1.00 0.11 O ATOM 99 CB ILE A 26 12.681 6.495 -0.737 1.00 0.34 C ATOM 100 CG1 ILE A 26 13.233 6.384 -2.174 1.00 0.58 C ATOM 101 CG2 ILE A 26 11.621 5.404 -0.494 1.00 0.62 C ATOM 102 CD1 ILE A 26 13.489 4.916 -2.558 1.00 0.41 C ATOM 0 H ILE A 26 14.043 8.577 -0.241 1.00 0.22 H new ATOM 0 HA ILE A 26 11.432 8.083 -1.438 1.00 0.25 H new ATOM 0 HB ILE A 26 13.490 6.360 -0.019 1.00 0.34 H new ATOM 0 HG12 ILE A 26 12.525 6.828 -2.874 1.00 0.58 H new ATOM 0 HG13 ILE A 26 14.160 6.951 -2.255 1.00 0.58 H new ATOM 0 HG21 ILE A 26 12.075 4.421 -0.621 1.00 0.62 H new ATOM 0 HG22 ILE A 26 11.231 5.495 0.520 1.00 0.62 H new ATOM 0 HG23 ILE A 26 10.806 5.523 -1.208 1.00 0.62 H new ATOM 0 HD11 ILE A 26 13.877 4.868 -3.575 1.00 0.41 H new ATOM 0 HD12 ILE A 26 14.216 4.482 -1.871 1.00 0.41 H new ATOM 0 HD13 ILE A 26 12.555 4.357 -2.500 1.00 0.41 H new ATOM 114 N ASP A 27 11.753 8.316 1.814 1.00 0.16 N ATOM 115 CA ASP A 27 10.958 8.399 3.070 1.00 0.13 C ATOM 116 C ASP A 27 9.954 9.547 2.938 1.00 0.18 C ATOM 117 O ASP A 27 8.757 9.355 3.031 1.00 0.07 O ATOM 118 CB ASP A 27 11.893 8.668 4.250 1.00 0.16 C ATOM 119 CG ASP A 27 11.070 8.820 5.532 1.00 0.25 C ATOM 120 OD1 ASP A 27 10.791 7.810 6.156 1.00 1.68 O ATOM 121 OD2 ASP A 27 10.730 9.944 5.865 1.00 1.11 O ATOM 0 H ASP A 27 12.736 8.571 1.905 1.00 0.16 H new ATOM 0 HA ASP A 27 10.430 7.461 3.241 1.00 0.13 H new ATOM 0 HB2 ASP A 27 12.605 7.849 4.357 1.00 0.16 H new ATOM 0 HB3 ASP A 27 12.473 9.573 4.069 1.00 0.16 H new ATOM 126 N LYS A 28 10.437 10.739 2.708 1.00 0.46 N ATOM 127 CA LYS A 28 9.518 11.904 2.554 1.00 0.55 C ATOM 128 C LYS A 28 8.532 11.626 1.416 1.00 0.52 C ATOM 129 O LYS A 28 7.484 12.233 1.328 1.00 0.51 O ATOM 130 CB LYS A 28 10.334 13.158 2.227 1.00 0.69 C ATOM 131 CG LYS A 28 11.220 12.890 1.009 1.00 1.36 C ATOM 132 CD LYS A 28 10.515 13.381 -0.257 1.00 1.76 C ATOM 133 CE LYS A 28 10.987 14.800 -0.588 1.00 2.15 C ATOM 134 NZ LYS A 28 12.168 14.731 -1.493 1.00 3.70 N ATOM 0 H LYS A 28 11.430 10.956 2.620 1.00 0.46 H new ATOM 0 HA LYS A 28 8.969 12.060 3.482 1.00 0.55 H new ATOM 0 HB2 LYS A 28 9.667 13.996 2.027 1.00 0.69 H new ATOM 0 HB3 LYS A 28 10.949 13.437 3.082 1.00 0.69 H new ATOM 0 HG2 LYS A 28 12.177 13.398 1.124 1.00 1.36 H new ATOM 0 HG3 LYS A 28 11.432 11.824 0.929 1.00 1.36 H new ATOM 0 HD2 LYS A 28 10.731 12.711 -1.089 1.00 1.76 H new ATOM 0 HD3 LYS A 28 9.435 13.370 -0.112 1.00 1.76 H new ATOM 0 HE2 LYS A 28 10.183 15.361 -1.064 1.00 2.15 H new ATOM 0 HE3 LYS A 28 11.247 15.331 0.328 1.00 2.15 H new ATOM 0 HZ1 LYS A 28 12.489 15.694 -1.718 1.00 3.70 H new ATOM 0 HZ2 LYS A 28 12.936 14.211 -1.023 1.00 3.70 H new ATOM 0 HZ3 LYS A 28 11.904 14.240 -2.371 1.00 3.70 H new ATOM 148 N GLN A 29 8.863 10.715 0.539 1.00 0.52 N ATOM 149 CA GLN A 29 7.949 10.402 -0.594 1.00 0.49 C ATOM 150 C GLN A 29 6.794 9.523 -0.097 1.00 0.39 C ATOM 151 O GLN A 29 5.646 9.730 -0.451 1.00 0.45 O ATOM 152 CB GLN A 29 8.740 9.671 -1.685 1.00 0.53 C ATOM 153 CG GLN A 29 8.668 10.463 -2.993 1.00 0.47 C ATOM 154 CD GLN A 29 7.205 10.661 -3.396 1.00 1.73 C ATOM 155 OE1 GLN A 29 6.311 10.156 -2.748 1.00 2.73 O ATOM 156 NE2 GLN A 29 6.923 11.382 -4.446 1.00 2.23 N ATOM 0 H GLN A 29 9.728 10.175 0.560 1.00 0.52 H new ATOM 0 HA GLN A 29 7.535 11.323 -1.004 1.00 0.49 H new ATOM 0 HB2 GLN A 29 9.779 9.553 -1.377 1.00 0.53 H new ATOM 0 HB3 GLN A 29 8.335 8.670 -1.832 1.00 0.53 H new ATOM 0 HG2 GLN A 29 9.156 11.430 -2.871 1.00 0.47 H new ATOM 0 HG3 GLN A 29 9.204 9.933 -3.780 1.00 0.47 H new ATOM 0 HE21 GLN A 29 7.674 11.806 -4.990 1.00 2.23 H new ATOM 0 HE22 GLN A 29 5.951 11.522 -4.723 1.00 2.23 H new ATOM 165 N ILE A 30 7.073 8.551 0.733 1.00 0.24 N ATOM 166 CA ILE A 30 5.970 7.692 1.251 1.00 0.16 C ATOM 167 C ILE A 30 5.020 8.573 2.061 1.00 0.18 C ATOM 168 O ILE A 30 3.827 8.349 2.103 1.00 0.22 O ATOM 169 CB ILE A 30 6.526 6.594 2.158 1.00 0.15 C ATOM 170 CG1 ILE A 30 7.625 5.802 1.420 1.00 0.26 C ATOM 171 CG2 ILE A 30 5.392 5.668 2.583 1.00 0.18 C ATOM 172 CD1 ILE A 30 7.013 4.728 0.508 1.00 0.70 C ATOM 0 H ILE A 30 8.007 8.318 1.071 1.00 0.24 H new ATOM 0 HA ILE A 30 5.451 7.224 0.415 1.00 0.16 H new ATOM 0 HB ILE A 30 6.969 7.045 3.046 1.00 0.15 H new ATOM 0 HG12 ILE A 30 8.233 6.484 0.826 1.00 0.26 H new ATOM 0 HG13 ILE A 30 8.289 5.332 2.146 1.00 0.26 H new ATOM 0 HG21 ILE A 30 5.786 4.884 3.230 1.00 0.18 H new ATOM 0 HG22 ILE A 30 4.638 6.240 3.124 1.00 0.18 H new ATOM 0 HG23 ILE A 30 4.940 5.217 1.700 1.00 0.18 H new ATOM 0 HD11 ILE A 30 7.810 4.185 0.000 1.00 0.70 H new ATOM 0 HD12 ILE A 30 6.425 4.033 1.108 1.00 0.70 H new ATOM 0 HD13 ILE A 30 6.369 5.203 -0.232 1.00 0.70 H new ATOM 184 N ARG A 31 5.549 9.585 2.697 1.00 0.20 N ATOM 185 CA ARG A 31 4.694 10.499 3.496 1.00 0.25 C ATOM 186 C ARG A 31 3.663 11.132 2.564 1.00 0.21 C ATOM 187 O ARG A 31 2.536 11.388 2.942 1.00 0.24 O ATOM 188 CB ARG A 31 5.576 11.587 4.110 1.00 0.35 C ATOM 189 CG ARG A 31 4.709 12.574 4.888 1.00 0.24 C ATOM 190 CD ARG A 31 5.146 14.003 4.559 1.00 0.85 C ATOM 191 NE ARG A 31 6.212 14.430 5.509 1.00 1.32 N ATOM 192 CZ ARG A 31 7.469 14.239 5.211 1.00 2.66 C ATOM 193 NH1 ARG A 31 7.911 14.540 4.020 1.00 3.58 N ATOM 194 NH2 ARG A 31 8.286 13.752 6.106 1.00 3.61 N ATOM 0 H ARG A 31 6.543 9.815 2.695 1.00 0.20 H new ATOM 0 HA ARG A 31 4.185 9.955 4.292 1.00 0.25 H new ATOM 0 HB2 ARG A 31 6.316 11.138 4.772 1.00 0.35 H new ATOM 0 HB3 ARG A 31 6.125 12.109 3.326 1.00 0.35 H new ATOM 0 HG2 ARG A 31 3.659 12.435 4.630 1.00 0.24 H new ATOM 0 HG3 ARG A 31 4.801 12.391 5.959 1.00 0.24 H new ATOM 0 HD2 ARG A 31 5.515 14.055 3.535 1.00 0.85 H new ATOM 0 HD3 ARG A 31 4.294 14.679 4.625 1.00 0.85 H new ATOM 0 HE ARG A 31 5.959 14.872 6.393 1.00 1.32 H new ATOM 0 HH11 ARG A 31 7.274 14.925 3.322 1.00 3.58 H new ATOM 0 HH12 ARG A 31 8.893 14.391 3.788 1.00 3.58 H new ATOM 0 HH21 ARG A 31 7.942 13.521 7.038 1.00 3.61 H new ATOM 0 HH22 ARG A 31 9.268 13.603 5.873 1.00 3.61 H new ATOM 208 N TYR A 32 4.041 11.365 1.337 1.00 0.27 N ATOM 209 CA TYR A 32 3.094 11.956 0.362 1.00 0.32 C ATOM 210 C TYR A 32 2.052 10.900 0.020 1.00 0.29 C ATOM 211 O TYR A 32 0.906 11.197 -0.257 1.00 0.30 O ATOM 212 CB TYR A 32 3.855 12.355 -0.905 1.00 0.39 C ATOM 213 CG TYR A 32 3.331 13.670 -1.421 1.00 0.50 C ATOM 214 CD1 TYR A 32 1.996 13.783 -1.823 1.00 0.52 C ATOM 215 CD2 TYR A 32 4.182 14.778 -1.497 1.00 1.38 C ATOM 216 CE1 TYR A 32 1.512 15.004 -2.301 1.00 0.51 C ATOM 217 CE2 TYR A 32 3.699 16.000 -1.976 1.00 1.47 C ATOM 218 CZ TYR A 32 2.362 16.113 -2.378 1.00 0.69 C ATOM 219 OH TYR A 32 1.883 17.319 -2.850 1.00 0.79 O ATOM 0 H TYR A 32 4.972 11.169 0.970 1.00 0.27 H new ATOM 0 HA TYR A 32 2.614 12.840 0.781 1.00 0.32 H new ATOM 0 HB2 TYR A 32 4.920 12.437 -0.690 1.00 0.39 H new ATOM 0 HB3 TYR A 32 3.742 11.584 -1.667 1.00 0.39 H new ATOM 0 HD1 TYR A 32 1.340 12.927 -1.764 1.00 0.52 H new ATOM 0 HD2 TYR A 32 5.212 14.690 -1.186 1.00 1.38 H new ATOM 0 HE1 TYR A 32 0.481 15.092 -2.611 1.00 0.51 H new ATOM 0 HE2 TYR A 32 4.356 16.855 -2.036 1.00 1.47 H new ATOM 0 HH TYR A 32 2.602 17.984 -2.837 1.00 0.79 H new ATOM 229 N ILE A 33 2.450 9.659 0.043 1.00 0.30 N ATOM 230 CA ILE A 33 1.494 8.566 -0.276 1.00 0.29 C ATOM 231 C ILE A 33 0.357 8.569 0.745 1.00 0.25 C ATOM 232 O ILE A 33 -0.803 8.461 0.400 1.00 0.29 O ATOM 233 CB ILE A 33 2.206 7.214 -0.225 1.00 0.24 C ATOM 234 CG1 ILE A 33 3.461 7.254 -1.102 1.00 0.38 C ATOM 235 CG2 ILE A 33 1.263 6.126 -0.742 1.00 0.36 C ATOM 236 CD1 ILE A 33 3.068 7.542 -2.550 1.00 2.40 C ATOM 0 H ILE A 33 3.397 9.355 0.269 1.00 0.30 H new ATOM 0 HA ILE A 33 1.095 8.727 -1.278 1.00 0.29 H new ATOM 0 HB ILE A 33 2.492 6.997 0.804 1.00 0.24 H new ATOM 0 HG12 ILE A 33 4.144 8.022 -0.741 1.00 0.38 H new ATOM 0 HG13 ILE A 33 3.990 6.303 -1.041 1.00 0.38 H new ATOM 0 HG21 ILE A 33 1.768 5.160 -0.707 1.00 0.36 H new ATOM 0 HG22 ILE A 33 0.370 6.092 -0.118 1.00 0.36 H new ATOM 0 HG23 ILE A 33 0.978 6.350 -1.770 1.00 0.36 H new ATOM 0 HD11 ILE A 33 3.963 7.570 -3.171 1.00 2.40 H new ATOM 0 HD12 ILE A 33 2.401 6.758 -2.909 1.00 2.40 H new ATOM 0 HD13 ILE A 33 2.559 8.504 -2.604 1.00 2.40 H new ATOM 248 N LEU A 34 0.684 8.682 2.000 1.00 0.18 N ATOM 249 CA LEU A 34 -0.370 8.681 3.051 1.00 0.15 C ATOM 250 C LEU A 34 -1.269 9.908 2.888 1.00 0.16 C ATOM 251 O LEU A 34 -2.476 9.819 3.004 1.00 0.15 O ATOM 252 CB LEU A 34 0.294 8.719 4.426 1.00 0.17 C ATOM 253 CG LEU A 34 0.604 7.294 4.886 1.00 0.25 C ATOM 254 CD1 LEU A 34 2.113 7.053 4.818 1.00 0.85 C ATOM 255 CD2 LEU A 34 0.122 7.108 6.326 1.00 0.39 C ATOM 0 H LEU A 34 1.639 8.775 2.345 1.00 0.18 H new ATOM 0 HA LEU A 34 -0.975 7.779 2.956 1.00 0.15 H new ATOM 0 HB2 LEU A 34 1.212 9.305 4.382 1.00 0.17 H new ATOM 0 HB3 LEU A 34 -0.363 9.209 5.145 1.00 0.17 H new ATOM 0 HG LEU A 34 0.093 6.583 4.237 1.00 0.25 H new ATOM 0 HD11 LEU A 34 2.334 6.037 5.146 1.00 0.85 H new ATOM 0 HD12 LEU A 34 2.457 7.186 3.792 1.00 0.85 H new ATOM 0 HD13 LEU A 34 2.625 7.763 5.467 1.00 0.85 H new ATOM 0 HD21 LEU A 34 0.342 6.093 6.655 1.00 0.39 H new ATOM 0 HD22 LEU A 34 0.633 7.819 6.975 1.00 0.39 H new ATOM 0 HD23 LEU A 34 -0.953 7.280 6.375 1.00 0.39 H new ATOM 267 N ASP A 35 -0.703 11.057 2.611 1.00 0.21 N ATOM 268 CA ASP A 35 -1.549 12.276 2.436 1.00 0.24 C ATOM 269 C ASP A 35 -2.623 11.972 1.401 1.00 0.21 C ATOM 270 O ASP A 35 -3.769 12.352 1.541 1.00 0.35 O ATOM 271 CB ASP A 35 -0.685 13.446 1.957 1.00 0.31 C ATOM 272 CG ASP A 35 -0.571 14.486 3.073 1.00 0.55 C ATOM 273 OD1 ASP A 35 0.029 14.173 4.089 1.00 1.46 O ATOM 274 OD2 ASP A 35 -1.085 15.577 2.894 1.00 1.01 O ATOM 0 H ASP A 35 0.300 11.202 2.499 1.00 0.21 H new ATOM 0 HA ASP A 35 -2.010 12.549 3.385 1.00 0.24 H new ATOM 0 HB2 ASP A 35 0.306 13.089 1.675 1.00 0.31 H new ATOM 0 HB3 ASP A 35 -1.126 13.897 1.068 1.00 0.31 H new ATOM 279 N GLY A 36 -2.263 11.262 0.373 1.00 0.20 N ATOM 280 CA GLY A 36 -3.263 10.901 -0.658 1.00 0.17 C ATOM 281 C GLY A 36 -4.308 9.989 -0.014 1.00 0.14 C ATOM 282 O GLY A 36 -5.494 10.180 -0.170 1.00 0.12 O ATOM 0 H GLY A 36 -1.318 10.917 0.204 1.00 0.20 H new ATOM 0 HA2 GLY A 36 -3.736 11.798 -1.058 1.00 0.17 H new ATOM 0 HA3 GLY A 36 -2.781 10.395 -1.494 1.00 0.17 H new ATOM 286 N ILE A 37 -3.863 9.002 0.713 1.00 0.16 N ATOM 287 CA ILE A 37 -4.803 8.055 1.380 1.00 0.13 C ATOM 288 C ILE A 37 -5.765 8.801 2.307 1.00 0.10 C ATOM 289 O ILE A 37 -6.787 8.271 2.696 1.00 0.12 O ATOM 290 CB ILE A 37 -4.006 7.040 2.198 1.00 0.12 C ATOM 291 CG1 ILE A 37 -3.016 6.305 1.281 1.00 0.18 C ATOM 292 CG2 ILE A 37 -4.973 6.036 2.834 1.00 0.11 C ATOM 293 CD1 ILE A 37 -3.775 5.433 0.281 1.00 0.06 C ATOM 0 H ILE A 37 -2.875 8.808 0.876 1.00 0.16 H new ATOM 0 HA ILE A 37 -5.383 7.547 0.610 1.00 0.13 H new ATOM 0 HB ILE A 37 -3.450 7.553 2.982 1.00 0.12 H new ATOM 0 HG12 ILE A 37 -2.396 7.027 0.749 1.00 0.18 H new ATOM 0 HG13 ILE A 37 -2.345 5.687 1.878 1.00 0.18 H new ATOM 0 HG21 ILE A 37 -4.410 5.309 3.419 1.00 0.11 H new ATOM 0 HG22 ILE A 37 -5.670 6.564 3.485 1.00 0.11 H new ATOM 0 HG23 ILE A 37 -5.528 5.520 2.051 1.00 0.11 H new ATOM 0 HD11 ILE A 37 -3.064 4.916 -0.364 1.00 0.06 H new ATOM 0 HD12 ILE A 37 -4.375 4.700 0.820 1.00 0.06 H new ATOM 0 HD13 ILE A 37 -4.427 6.060 -0.327 1.00 0.06 H new ATOM 305 N SER A 38 -5.470 10.023 2.659 1.00 0.16 N ATOM 306 CA SER A 38 -6.400 10.771 3.541 1.00 0.13 C ATOM 307 C SER A 38 -7.635 11.090 2.718 1.00 0.14 C ATOM 308 O SER A 38 -8.761 10.927 3.155 1.00 0.13 O ATOM 309 CB SER A 38 -5.743 12.069 4.011 1.00 0.18 C ATOM 310 OG SER A 38 -5.426 11.962 5.393 1.00 0.55 O ATOM 0 H SER A 38 -4.631 10.529 2.375 1.00 0.16 H new ATOM 0 HA SER A 38 -6.658 10.182 4.421 1.00 0.13 H new ATOM 0 HB2 SER A 38 -4.839 12.263 3.433 1.00 0.18 H new ATOM 0 HB3 SER A 38 -6.415 12.911 3.844 1.00 0.18 H new ATOM 0 HG SER A 38 -5.003 12.792 5.697 1.00 0.55 H new ATOM 316 N ALA A 39 -7.427 11.517 1.507 1.00 0.19 N ATOM 317 CA ALA A 39 -8.577 11.824 0.629 1.00 0.23 C ATOM 318 C ALA A 39 -9.138 10.513 0.076 1.00 0.20 C ATOM 319 O ALA A 39 -10.266 10.449 -0.373 1.00 0.31 O ATOM 320 CB ALA A 39 -8.125 12.721 -0.524 1.00 0.31 C ATOM 0 H ALA A 39 -6.508 11.666 1.090 1.00 0.19 H new ATOM 0 HA ALA A 39 -9.347 12.345 1.198 1.00 0.23 H new ATOM 0 HB1 ALA A 39 -8.976 12.944 -1.167 1.00 0.31 H new ATOM 0 HB2 ALA A 39 -7.719 13.650 -0.124 1.00 0.31 H new ATOM 0 HB3 ALA A 39 -7.357 12.209 -1.103 1.00 0.31 H new ATOM 326 N LEU A 40 -8.362 9.459 0.112 1.00 0.11 N ATOM 327 CA LEU A 40 -8.858 8.155 -0.400 1.00 0.06 C ATOM 328 C LEU A 40 -9.521 7.374 0.731 1.00 0.05 C ATOM 329 O LEU A 40 -10.156 6.367 0.502 1.00 0.11 O ATOM 330 CB LEU A 40 -7.699 7.325 -0.948 1.00 0.05 C ATOM 331 CG LEU A 40 -6.870 8.161 -1.914 1.00 0.08 C ATOM 332 CD1 LEU A 40 -5.498 7.516 -2.080 1.00 0.42 C ATOM 333 CD2 LEU A 40 -7.570 8.220 -3.269 1.00 0.28 C ATOM 0 H LEU A 40 -7.408 9.450 0.474 1.00 0.11 H new ATOM 0 HA LEU A 40 -9.578 8.349 -1.195 1.00 0.06 H new ATOM 0 HB2 LEU A 40 -7.073 6.974 -0.128 1.00 0.05 H new ATOM 0 HB3 LEU A 40 -8.083 6.441 -1.457 1.00 0.05 H new ATOM 0 HG LEU A 40 -6.758 9.172 -1.522 1.00 0.08 H new ATOM 0 HD11 LEU A 40 -4.898 8.109 -2.771 1.00 0.42 H new ATOM 0 HD12 LEU A 40 -4.998 7.470 -1.112 1.00 0.42 H new ATOM 0 HD13 LEU A 40 -5.616 6.507 -2.476 1.00 0.42 H new ATOM 0 HD21 LEU A 40 -6.976 8.819 -3.960 1.00 0.28 H new ATOM 0 HD22 LEU A 40 -7.680 7.211 -3.666 1.00 0.28 H new ATOM 0 HD23 LEU A 40 -8.554 8.673 -3.151 1.00 0.28 H new ATOM 345 N ARG A 41 -9.372 7.814 1.952 1.00 0.03 N ATOM 346 CA ARG A 41 -9.994 7.069 3.077 1.00 0.06 C ATOM 347 C ARG A 41 -10.996 7.957 3.816 1.00 0.07 C ATOM 348 O ARG A 41 -11.630 7.523 4.749 1.00 0.09 O ATOM 349 CB ARG A 41 -8.912 6.604 4.052 1.00 0.12 C ATOM 350 CG ARG A 41 -9.456 5.436 4.877 1.00 0.15 C ATOM 351 CD ARG A 41 -8.484 5.111 6.014 1.00 0.38 C ATOM 352 NE ARG A 41 -8.934 3.873 6.713 1.00 1.17 N ATOM 353 CZ ARG A 41 -8.452 3.576 7.891 1.00 1.43 C ATOM 354 NH1 ARG A 41 -7.249 3.959 8.220 1.00 1.72 N ATOM 355 NH2 ARG A 41 -9.175 2.898 8.740 1.00 2.22 N ATOM 0 H ARG A 41 -8.850 8.650 2.215 1.00 0.03 H new ATOM 0 HA ARG A 41 -10.518 6.203 2.672 1.00 0.06 H new ATOM 0 HB2 ARG A 41 -8.020 6.297 3.506 1.00 0.12 H new ATOM 0 HB3 ARG A 41 -8.618 7.424 4.708 1.00 0.12 H new ATOM 0 HG2 ARG A 41 -10.435 5.690 5.284 1.00 0.15 H new ATOM 0 HG3 ARG A 41 -9.592 4.561 4.241 1.00 0.15 H new ATOM 0 HD2 ARG A 41 -7.478 4.973 5.618 1.00 0.38 H new ATOM 0 HD3 ARG A 41 -8.439 5.943 6.717 1.00 0.38 H new ATOM 0 HE ARG A 41 -9.618 3.258 6.272 1.00 1.17 H new ATOM 0 HH11 ARG A 41 -6.684 4.491 7.558 1.00 1.72 H new ATOM 0 HH12 ARG A 41 -6.873 3.727 9.140 1.00 1.72 H new ATOM 0 HH21 ARG A 41 -10.116 2.600 8.484 1.00 2.22 H new ATOM 0 HH22 ARG A 41 -8.799 2.666 9.659 1.00 2.22 H new ATOM 369 N LYS A 42 -11.154 9.191 3.419 1.00 0.12 N ATOM 370 CA LYS A 42 -12.133 10.064 4.121 1.00 0.22 C ATOM 371 C LYS A 42 -13.528 9.781 3.563 1.00 0.28 C ATOM 372 O LYS A 42 -14.507 9.723 4.288 1.00 0.32 O ATOM 373 CB LYS A 42 -11.774 11.532 3.877 1.00 0.29 C ATOM 374 CG LYS A 42 -12.348 12.396 5.002 1.00 0.36 C ATOM 375 CD LYS A 42 -12.435 13.852 4.534 1.00 0.88 C ATOM 376 CE LYS A 42 -12.824 14.745 5.712 1.00 1.16 C ATOM 377 NZ LYS A 42 -12.883 16.165 5.260 1.00 1.94 N ATOM 0 H LYS A 42 -10.652 9.628 2.646 1.00 0.12 H new ATOM 0 HA LYS A 42 -12.112 9.863 5.192 1.00 0.22 H new ATOM 0 HB2 LYS A 42 -10.691 11.649 3.832 1.00 0.29 H new ATOM 0 HB3 LYS A 42 -12.171 11.859 2.916 1.00 0.29 H new ATOM 0 HG2 LYS A 42 -13.337 12.034 5.285 1.00 0.36 H new ATOM 0 HG3 LYS A 42 -11.717 12.325 5.888 1.00 0.36 H new ATOM 0 HD2 LYS A 42 -11.477 14.171 4.123 1.00 0.88 H new ATOM 0 HD3 LYS A 42 -13.171 13.945 3.735 1.00 0.88 H new ATOM 0 HE2 LYS A 42 -13.791 14.439 6.111 1.00 1.16 H new ATOM 0 HE3 LYS A 42 -12.098 14.638 6.518 1.00 1.16 H new ATOM 0 HZ1 LYS A 42 -13.148 16.774 6.061 1.00 1.94 H new ATOM 0 HZ2 LYS A 42 -11.951 16.453 4.899 1.00 1.94 H new ATOM 0 HZ3 LYS A 42 -13.591 16.260 4.504 1.00 1.94 H new ATOM 391 N GLU A 43 -13.619 9.593 2.274 1.00 0.30 N ATOM 392 CA GLU A 43 -14.933 9.314 1.649 1.00 0.39 C ATOM 393 C GLU A 43 -15.271 7.837 1.818 1.00 0.37 C ATOM 394 O GLU A 43 -16.373 7.482 2.205 1.00 0.38 O ATOM 395 CB GLU A 43 -14.866 9.657 0.158 1.00 0.49 C ATOM 396 CG GLU A 43 -16.208 10.235 -0.298 1.00 0.69 C ATOM 397 CD GLU A 43 -17.128 9.099 -0.750 1.00 2.12 C ATOM 398 OE1 GLU A 43 -16.612 8.094 -1.209 1.00 2.93 O ATOM 399 OE2 GLU A 43 -18.333 9.253 -0.628 1.00 2.62 O ATOM 0 H GLU A 43 -12.831 9.622 1.627 1.00 0.30 H new ATOM 0 HA GLU A 43 -15.703 9.919 2.128 1.00 0.39 H new ATOM 0 HB2 GLU A 43 -14.068 10.377 -0.024 1.00 0.49 H new ATOM 0 HB3 GLU A 43 -14.628 8.764 -0.420 1.00 0.49 H new ATOM 0 HG2 GLU A 43 -16.672 10.790 0.517 1.00 0.69 H new ATOM 0 HG3 GLU A 43 -16.053 10.939 -1.116 1.00 0.69 H new ATOM 406 N THR A 44 -14.328 6.970 1.536 1.00 0.37 N ATOM 407 CA THR A 44 -14.591 5.510 1.671 1.00 0.41 C ATOM 408 C THR A 44 -14.361 5.042 3.115 1.00 0.37 C ATOM 409 O THR A 44 -13.862 3.961 3.357 1.00 0.56 O ATOM 410 CB THR A 44 -13.685 4.722 0.719 1.00 0.52 C ATOM 411 OG1 THR A 44 -14.064 3.353 0.737 1.00 0.66 O ATOM 412 CG2 THR A 44 -12.227 4.854 1.156 1.00 0.68 C ATOM 0 H THR A 44 -13.390 7.214 1.219 1.00 0.37 H new ATOM 0 HA THR A 44 -15.634 5.327 1.411 1.00 0.41 H new ATOM 0 HB THR A 44 -13.791 5.120 -0.290 1.00 0.52 H new ATOM 0 HG1 THR A 44 -14.012 3.011 1.654 1.00 0.66 H new ATOM 0 HG21 THR A 44 -11.590 4.291 0.474 1.00 0.68 H new ATOM 0 HG22 THR A 44 -11.936 5.904 1.140 1.00 0.68 H new ATOM 0 HG23 THR A 44 -12.113 4.461 2.166 1.00 0.68 H new ATOM 420 N CYS A 45 -14.759 5.833 4.068 1.00 0.17 N ATOM 421 CA CYS A 45 -14.617 5.442 5.492 1.00 0.25 C ATOM 422 C CYS A 45 -15.800 6.047 6.230 1.00 0.38 C ATOM 423 O CYS A 45 -16.494 5.385 6.976 1.00 0.45 O ATOM 424 CB CYS A 45 -13.316 5.987 6.082 1.00 0.57 C ATOM 425 SG CYS A 45 -13.202 5.534 7.836 1.00 1.65 S ATOM 0 H CYS A 45 -15.183 6.748 3.916 1.00 0.17 H new ATOM 0 HA CYS A 45 -14.592 4.356 5.586 1.00 0.25 H new ATOM 0 HB2 CYS A 45 -12.462 5.585 5.537 1.00 0.57 H new ATOM 0 HB3 CYS A 45 -13.282 7.071 5.974 1.00 0.57 H new ATOM 0 HG CYS A 45 -12.094 5.998 8.333 1.00 1.65 H new ATOM 430 N ASN A 46 -16.052 7.308 5.997 1.00 0.52 N ATOM 431 CA ASN A 46 -17.211 7.959 6.651 1.00 0.78 C ATOM 432 C ASN A 46 -18.486 7.472 5.963 1.00 0.81 C ATOM 433 O ASN A 46 -19.397 6.978 6.599 1.00 0.99 O ATOM 434 CB ASN A 46 -17.096 9.479 6.509 1.00 0.94 C ATOM 435 CG ASN A 46 -16.798 10.099 7.874 1.00 0.55 C ATOM 436 OD1 ASN A 46 -17.270 11.174 8.183 1.00 1.08 O ATOM 437 ND2 ASN A 46 -16.026 9.462 8.712 1.00 1.64 N ATOM 0 H ASN A 46 -15.503 7.909 5.383 1.00 0.52 H new ATOM 0 HA ASN A 46 -17.236 7.706 7.711 1.00 0.78 H new ATOM 0 HB2 ASN A 46 -16.304 9.730 5.803 1.00 0.94 H new ATOM 0 HB3 ASN A 46 -18.023 9.888 6.107 1.00 0.94 H new ATOM 0 HD21 ASN A 46 -15.820 9.868 9.625 1.00 1.64 H new ATOM 0 HD22 ASN A 46 -15.629 8.559 8.454 1.00 1.64 H new ATOM 444 N LYS A 47 -18.561 7.600 4.662 1.00 0.71 N ATOM 445 CA LYS A 47 -19.777 7.136 3.941 1.00 0.86 C ATOM 446 C LYS A 47 -19.581 5.694 3.461 1.00 0.83 C ATOM 447 O LYS A 47 -20.181 5.271 2.493 1.00 1.11 O ATOM 448 CB LYS A 47 -20.033 8.042 2.735 1.00 0.85 C ATOM 449 CG LYS A 47 -20.729 9.323 3.198 1.00 0.43 C ATOM 450 CD LYS A 47 -21.393 10.007 2.001 1.00 1.21 C ATOM 451 CE LYS A 47 -22.264 11.165 2.493 1.00 1.19 C ATOM 452 NZ LYS A 47 -23.517 11.222 1.689 1.00 1.80 N ATOM 0 H LYS A 47 -17.833 8.005 4.073 1.00 0.71 H new ATOM 0 HA LYS A 47 -20.630 7.177 4.618 1.00 0.86 H new ATOM 0 HB2 LYS A 47 -19.091 8.285 2.243 1.00 0.85 H new ATOM 0 HB3 LYS A 47 -20.652 7.524 2.002 1.00 0.85 H new ATOM 0 HG2 LYS A 47 -21.476 9.089 3.957 1.00 0.43 H new ATOM 0 HG3 LYS A 47 -20.006 9.996 3.659 1.00 0.43 H new ATOM 0 HD2 LYS A 47 -20.633 10.377 1.312 1.00 1.21 H new ATOM 0 HD3 LYS A 47 -22.001 9.289 1.450 1.00 1.21 H new ATOM 0 HE2 LYS A 47 -22.502 11.032 3.548 1.00 1.19 H new ATOM 0 HE3 LYS A 47 -21.720 12.106 2.405 1.00 1.19 H new ATOM 0 HZ1 LYS A 47 -24.109 12.009 2.024 1.00 1.80 H new ATOM 0 HZ2 LYS A 47 -23.280 11.369 0.687 1.00 1.80 H new ATOM 0 HZ3 LYS A 47 -24.038 10.328 1.794 1.00 1.80 H new ATOM 466 N SER A 48 -18.737 4.940 4.109 1.00 0.65 N ATOM 467 CA SER A 48 -18.503 3.537 3.657 1.00 0.65 C ATOM 468 C SER A 48 -19.278 2.544 4.530 1.00 0.76 C ATOM 469 O SER A 48 -19.277 1.359 4.272 1.00 1.23 O ATOM 470 CB SER A 48 -17.011 3.221 3.741 1.00 0.57 C ATOM 471 OG SER A 48 -16.553 3.478 5.060 1.00 1.90 O ATOM 0 H SER A 48 -18.202 5.231 4.927 1.00 0.65 H new ATOM 0 HA SER A 48 -18.852 3.442 2.629 1.00 0.65 H new ATOM 0 HB2 SER A 48 -16.833 2.178 3.478 1.00 0.57 H new ATOM 0 HB3 SER A 48 -16.457 3.829 3.026 1.00 0.57 H new ATOM 0 HG SER A 48 -15.923 2.777 5.330 1.00 1.90 H new ATOM 477 N ASN A 49 -19.929 3.006 5.565 1.00 0.39 N ATOM 478 CA ASN A 49 -20.701 2.074 6.454 1.00 0.60 C ATOM 479 C ASN A 49 -19.873 0.822 6.786 1.00 0.67 C ATOM 480 O ASN A 49 -20.411 -0.215 7.122 1.00 1.12 O ATOM 481 CB ASN A 49 -21.991 1.654 5.746 1.00 0.74 C ATOM 482 CG ASN A 49 -22.741 2.898 5.264 1.00 1.36 C ATOM 483 OD1 ASN A 49 -22.240 4.001 5.360 1.00 1.90 O ATOM 484 ND2 ASN A 49 -23.931 2.767 4.745 1.00 2.05 N ATOM 0 H ASN A 49 -19.962 3.988 5.837 1.00 0.39 H new ATOM 0 HA ASN A 49 -20.934 2.593 7.384 1.00 0.60 H new ATOM 0 HB2 ASN A 49 -21.759 1.006 4.900 1.00 0.74 H new ATOM 0 HB3 ASN A 49 -22.620 1.078 6.425 1.00 0.74 H new ATOM 0 HD21 ASN A 49 -24.439 3.590 4.421 1.00 2.05 H new ATOM 0 HD22 ASN A 49 -24.353 1.842 4.664 1.00 2.05 H new ATOM 491 N MET A 50 -18.573 0.905 6.689 1.00 0.41 N ATOM 492 CA MET A 50 -17.722 -0.281 6.994 1.00 0.53 C ATOM 493 C MET A 50 -16.322 0.193 7.389 1.00 0.56 C ATOM 494 O MET A 50 -15.333 -0.448 7.095 1.00 0.56 O ATOM 495 CB MET A 50 -17.622 -1.163 5.749 1.00 0.51 C ATOM 496 CG MET A 50 -18.463 -2.426 5.944 1.00 0.82 C ATOM 497 SD MET A 50 -17.450 -3.889 5.605 1.00 1.78 S ATOM 498 CE MET A 50 -17.735 -3.954 3.818 1.00 1.05 C ATOM 0 H MET A 50 -18.063 1.744 6.411 1.00 0.41 H new ATOM 0 HA MET A 50 -18.163 -0.850 7.813 1.00 0.53 H new ATOM 0 HB2 MET A 50 -17.970 -0.614 4.874 1.00 0.51 H new ATOM 0 HB3 MET A 50 -16.582 -1.432 5.564 1.00 0.51 H new ATOM 0 HG2 MET A 50 -18.847 -2.465 6.963 1.00 0.82 H new ATOM 0 HG3 MET A 50 -19.326 -2.407 5.279 1.00 0.82 H new ATOM 0 HE1 MET A 50 -17.392 -4.913 3.430 1.00 1.05 H new ATOM 0 HE2 MET A 50 -18.800 -3.840 3.615 1.00 1.05 H new ATOM 0 HE3 MET A 50 -17.185 -3.148 3.332 1.00 1.05 H new ATOM 660 N ASN A 62 -10.591 -8.427 5.448 1.00 0.64 N ATOM 661 CA ASN A 62 -9.145 -8.094 5.598 1.00 0.82 C ATOM 662 C ASN A 62 -8.397 -8.347 4.285 1.00 0.96 C ATOM 663 O ASN A 62 -7.183 -8.407 4.260 1.00 1.98 O ATOM 664 CB ASN A 62 -8.537 -8.958 6.706 1.00 0.71 C ATOM 665 CG ASN A 62 -9.214 -8.630 8.038 1.00 0.80 C ATOM 666 OD1 ASN A 62 -9.755 -7.556 8.210 1.00 1.43 O ATOM 667 ND2 ASN A 62 -9.208 -9.516 8.996 1.00 0.88 N ATOM 0 HA ASN A 62 -9.052 -7.039 5.857 1.00 0.82 H new ATOM 0 HB2 ASN A 62 -8.666 -10.014 6.470 1.00 0.71 H new ATOM 0 HB3 ASN A 62 -7.465 -8.776 6.776 1.00 0.71 H new ATOM 0 HD21 ASN A 62 -9.657 -9.306 9.887 1.00 0.88 H new ATOM 0 HD22 ASN A 62 -8.754 -10.418 8.853 1.00 0.88 H new ATOM 674 N LEU A 63 -9.102 -8.485 3.191 1.00 0.87 N ATOM 675 CA LEU A 63 -8.424 -8.723 1.879 1.00 0.76 C ATOM 676 C LEU A 63 -7.373 -9.829 2.016 1.00 0.75 C ATOM 677 O LEU A 63 -7.286 -10.497 3.027 1.00 0.89 O ATOM 678 CB LEU A 63 -7.740 -7.435 1.420 1.00 0.62 C ATOM 679 CG LEU A 63 -8.661 -6.681 0.463 1.00 0.71 C ATOM 680 CD1 LEU A 63 -8.082 -5.294 0.191 1.00 0.80 C ATOM 681 CD2 LEU A 63 -8.775 -7.454 -0.854 1.00 0.73 C ATOM 0 H LEU A 63 -10.120 -8.443 3.149 1.00 0.87 H new ATOM 0 HA LEU A 63 -9.171 -9.030 1.147 1.00 0.76 H new ATOM 0 HB2 LEU A 63 -7.503 -6.810 2.281 1.00 0.62 H new ATOM 0 HB3 LEU A 63 -6.797 -7.668 0.926 1.00 0.62 H new ATOM 0 HG LEU A 63 -9.650 -6.583 0.911 1.00 0.71 H new ATOM 0 HD11 LEU A 63 -8.738 -4.754 -0.492 1.00 0.80 H new ATOM 0 HD12 LEU A 63 -8.001 -4.743 1.128 1.00 0.80 H new ATOM 0 HD13 LEU A 63 -7.094 -5.394 -0.258 1.00 0.80 H new ATOM 0 HD21 LEU A 63 -9.432 -6.915 -1.536 1.00 0.73 H new ATOM 0 HD22 LEU A 63 -7.787 -7.553 -1.304 1.00 0.73 H new ATOM 0 HD23 LEU A 63 -9.187 -8.445 -0.660 1.00 0.73 H new ATOM 693 N ASN A 64 -6.570 -10.021 1.004 1.00 0.67 N ATOM 694 CA ASN A 64 -5.521 -11.075 1.073 1.00 0.78 C ATOM 695 C ASN A 64 -4.187 -10.494 0.597 1.00 0.74 C ATOM 696 O ASN A 64 -3.585 -10.986 -0.338 1.00 1.02 O ATOM 697 CB ASN A 64 -5.916 -12.249 0.173 1.00 0.98 C ATOM 698 CG ASN A 64 -5.191 -13.514 0.637 1.00 1.00 C ATOM 699 OD1 ASN A 64 -5.255 -13.876 1.795 1.00 1.78 O ATOM 700 ND2 ASN A 64 -4.499 -14.208 -0.225 1.00 1.26 N ATOM 0 H ASN A 64 -6.596 -9.492 0.132 1.00 0.67 H new ATOM 0 HA ASN A 64 -5.422 -11.424 2.101 1.00 0.78 H new ATOM 0 HB2 ASN A 64 -6.995 -12.401 0.209 1.00 0.98 H new ATOM 0 HB3 ASN A 64 -5.659 -12.029 -0.863 1.00 0.98 H new ATOM 0 HD21 ASN A 64 -4.013 -15.053 0.074 1.00 1.26 H new ATOM 0 HD22 ASN A 64 -4.445 -13.905 -1.197 1.00 1.26 H new ATOM 707 N LEU A 65 -3.717 -9.450 1.230 1.00 0.54 N ATOM 708 CA LEU A 65 -2.420 -8.848 0.804 1.00 0.65 C ATOM 709 C LEU A 65 -1.506 -8.626 2.024 1.00 0.63 C ATOM 710 O LEU A 65 -1.096 -7.510 2.278 1.00 0.46 O ATOM 711 CB LEU A 65 -2.681 -7.507 0.112 1.00 0.63 C ATOM 712 CG LEU A 65 -3.288 -6.512 1.106 1.00 0.46 C ATOM 713 CD1 LEU A 65 -2.499 -5.200 1.060 1.00 0.56 C ATOM 714 CD2 LEU A 65 -4.746 -6.237 0.732 1.00 0.49 C ATOM 0 H LEU A 65 -4.173 -8.991 2.019 1.00 0.54 H new ATOM 0 HA LEU A 65 -1.926 -9.530 0.112 1.00 0.65 H new ATOM 0 HB2 LEU A 65 -1.749 -7.109 -0.290 1.00 0.63 H new ATOM 0 HB3 LEU A 65 -3.357 -7.649 -0.731 1.00 0.63 H new ATOM 0 HG LEU A 65 -3.243 -6.933 2.111 1.00 0.46 H new ATOM 0 HD11 LEU A 65 -2.930 -4.491 1.767 1.00 0.56 H new ATOM 0 HD12 LEU A 65 -1.459 -5.391 1.326 1.00 0.56 H new ATOM 0 HD13 LEU A 65 -2.545 -4.783 0.054 1.00 0.56 H new ATOM 0 HD21 LEU A 65 -5.176 -5.529 1.440 1.00 0.49 H new ATOM 0 HD22 LEU A 65 -4.791 -5.817 -0.273 1.00 0.49 H new ATOM 0 HD23 LEU A 65 -5.311 -7.169 0.762 1.00 0.49 H new ATOM 726 N PRO A 66 -1.199 -9.687 2.742 1.00 1.35 N ATOM 727 CA PRO A 66 -0.319 -9.604 3.923 1.00 1.43 C ATOM 728 C PRO A 66 1.146 -9.521 3.483 1.00 1.16 C ATOM 729 O PRO A 66 1.684 -10.451 2.916 1.00 1.99 O ATOM 730 CB PRO A 66 -0.585 -10.916 4.667 1.00 2.46 C ATOM 731 CG PRO A 66 -1.140 -11.906 3.616 1.00 2.92 C ATOM 732 CD PRO A 66 -1.688 -11.056 2.455 1.00 2.21 C ATOM 0 HA PRO A 66 -0.509 -8.725 4.539 1.00 1.43 H new ATOM 0 HB2 PRO A 66 0.330 -11.300 5.118 1.00 2.46 H new ATOM 0 HB3 PRO A 66 -1.300 -10.766 5.476 1.00 2.46 H new ATOM 0 HG2 PRO A 66 -0.357 -12.579 3.267 1.00 2.92 H new ATOM 0 HG3 PRO A 66 -1.926 -12.527 4.046 1.00 2.92 H new ATOM 0 HD2 PRO A 66 -1.324 -11.415 1.492 1.00 2.21 H new ATOM 0 HD3 PRO A 66 -2.777 -11.090 2.416 1.00 2.21 H new ATOM 740 N LYS A 67 1.797 -8.416 3.734 1.00 0.69 N ATOM 741 CA LYS A 67 3.223 -8.290 3.319 1.00 1.47 C ATOM 742 C LYS A 67 4.024 -7.589 4.418 1.00 1.21 C ATOM 743 O LYS A 67 4.748 -6.646 4.166 1.00 1.57 O ATOM 744 CB LYS A 67 3.308 -7.472 2.029 1.00 2.25 C ATOM 745 CG LYS A 67 2.832 -8.323 0.851 1.00 2.97 C ATOM 746 CD LYS A 67 4.025 -9.051 0.229 1.00 3.62 C ATOM 747 CE LYS A 67 3.680 -9.464 -1.203 1.00 4.92 C ATOM 748 NZ LYS A 67 4.663 -10.476 -1.679 1.00 5.70 N ATOM 0 H LYS A 67 1.405 -7.601 4.205 1.00 0.69 H new ATOM 0 HA LYS A 67 3.636 -9.284 3.151 1.00 1.47 H new ATOM 0 HB2 LYS A 67 2.695 -6.575 2.114 1.00 2.25 H new ATOM 0 HB3 LYS A 67 4.334 -7.143 1.862 1.00 2.25 H new ATOM 0 HG2 LYS A 67 2.088 -9.045 1.188 1.00 2.97 H new ATOM 0 HG3 LYS A 67 2.349 -7.692 0.105 1.00 2.97 H new ATOM 0 HD2 LYS A 67 4.901 -8.403 0.231 1.00 3.62 H new ATOM 0 HD3 LYS A 67 4.277 -9.930 0.822 1.00 3.62 H new ATOM 0 HE2 LYS A 67 2.671 -9.875 -1.241 1.00 4.92 H new ATOM 0 HE3 LYS A 67 3.694 -8.592 -1.857 1.00 4.92 H new ATOM 0 HZ1 LYS A 67 4.428 -10.757 -2.653 1.00 5.70 H new ATOM 0 HZ2 LYS A 67 5.619 -10.068 -1.657 1.00 5.70 H new ATOM 0 HZ3 LYS A 67 4.629 -11.311 -1.060 1.00 5.70 H new ATOM 762 N MET A 68 3.908 -8.045 5.634 1.00 1.23 N ATOM 763 CA MET A 68 4.669 -7.405 6.744 1.00 0.92 C ATOM 764 C MET A 68 4.351 -8.120 8.059 1.00 0.97 C ATOM 765 O MET A 68 3.267 -8.632 8.253 1.00 1.08 O ATOM 766 CB MET A 68 4.275 -5.929 6.853 1.00 0.93 C ATOM 767 CG MET A 68 5.506 -5.098 7.224 1.00 0.35 C ATOM 768 SD MET A 68 5.102 -3.336 7.113 1.00 1.05 S ATOM 769 CE MET A 68 6.778 -2.695 7.357 1.00 0.23 C ATOM 0 H MET A 68 3.320 -8.832 5.907 1.00 1.23 H new ATOM 0 HA MET A 68 5.737 -7.478 6.541 1.00 0.92 H new ATOM 0 HB2 MET A 68 3.860 -5.582 5.907 1.00 0.93 H new ATOM 0 HB3 MET A 68 3.498 -5.804 7.607 1.00 0.93 H new ATOM 0 HG2 MET A 68 5.833 -5.344 8.234 1.00 0.35 H new ATOM 0 HG3 MET A 68 6.333 -5.335 6.555 1.00 0.35 H new ATOM 0 HE1 MET A 68 6.854 -1.700 6.919 1.00 0.23 H new ATOM 0 HE2 MET A 68 6.994 -2.639 8.424 1.00 0.23 H new ATOM 0 HE3 MET A 68 7.495 -3.360 6.876 1.00 0.23 H new ATOM 779 N ALA A 69 5.292 -8.162 8.962 1.00 0.92 N ATOM 780 CA ALA A 69 5.045 -8.846 10.263 1.00 0.98 C ATOM 781 C ALA A 69 6.334 -8.850 11.087 1.00 1.19 C ATOM 782 O ALA A 69 7.313 -8.224 10.731 1.00 1.47 O ATOM 783 CB ALA A 69 4.602 -10.288 10.006 1.00 1.14 C ATOM 0 H ALA A 69 6.220 -7.753 8.855 1.00 0.92 H new ATOM 0 HA ALA A 69 4.264 -8.318 10.809 1.00 0.98 H new ATOM 0 HB1 ALA A 69 4.421 -10.788 10.957 1.00 1.14 H new ATOM 0 HB2 ALA A 69 3.685 -10.287 9.417 1.00 1.14 H new ATOM 0 HB3 ALA A 69 5.384 -10.817 9.461 1.00 1.14 H new ATOM 789 N GLU A 70 6.342 -9.553 12.186 1.00 1.18 N ATOM 790 CA GLU A 70 7.565 -9.601 13.034 1.00 1.39 C ATOM 791 C GLU A 70 8.730 -10.161 12.216 1.00 1.46 C ATOM 792 O GLU A 70 9.882 -9.906 12.503 1.00 1.43 O ATOM 793 CB GLU A 70 7.312 -10.501 14.244 1.00 1.84 C ATOM 794 CG GLU A 70 6.388 -9.784 15.230 1.00 0.87 C ATOM 795 CD GLU A 70 6.492 -10.449 16.604 1.00 1.55 C ATOM 796 OE1 GLU A 70 6.585 -11.664 16.646 1.00 2.46 O ATOM 797 OE2 GLU A 70 6.477 -9.731 17.589 1.00 1.64 O ATOM 0 H GLU A 70 5.552 -10.097 12.533 1.00 1.18 H new ATOM 0 HA GLU A 70 7.811 -8.595 13.375 1.00 1.39 H new ATOM 0 HB2 GLU A 70 6.861 -11.440 13.924 1.00 1.84 H new ATOM 0 HB3 GLU A 70 8.256 -10.750 14.729 1.00 1.84 H new ATOM 0 HG2 GLU A 70 6.662 -8.732 15.302 1.00 0.87 H new ATOM 0 HG3 GLU A 70 5.359 -9.821 14.873 1.00 0.87 H new ATOM 804 N LYS A 71 8.439 -10.924 11.199 1.00 1.69 N ATOM 805 CA LYS A 71 9.532 -11.499 10.364 1.00 1.98 C ATOM 806 C LYS A 71 10.181 -10.386 9.541 1.00 1.65 C ATOM 807 O LYS A 71 11.373 -10.393 9.302 1.00 1.73 O ATOM 808 CB LYS A 71 8.954 -12.556 9.420 1.00 2.55 C ATOM 809 CG LYS A 71 10.094 -13.384 8.830 1.00 3.42 C ATOM 810 CD LYS A 71 10.588 -14.386 9.876 1.00 2.96 C ATOM 811 CE LYS A 71 10.075 -15.784 9.527 1.00 3.51 C ATOM 812 NZ LYS A 71 10.762 -16.281 8.299 1.00 4.89 N ATOM 0 H LYS A 71 7.493 -11.174 10.910 1.00 1.69 H new ATOM 0 HA LYS A 71 10.279 -11.959 11.011 1.00 1.98 H new ATOM 0 HB2 LYS A 71 8.261 -13.202 9.959 1.00 2.55 H new ATOM 0 HB3 LYS A 71 8.387 -12.076 8.622 1.00 2.55 H new ATOM 0 HG2 LYS A 71 9.752 -13.910 7.939 1.00 3.42 H new ATOM 0 HG3 LYS A 71 10.911 -12.731 8.521 1.00 3.42 H new ATOM 0 HD2 LYS A 71 11.677 -14.385 9.910 1.00 2.96 H new ATOM 0 HD3 LYS A 71 10.238 -14.096 10.867 1.00 2.96 H new ATOM 0 HE2 LYS A 71 10.256 -16.466 10.358 1.00 3.51 H new ATOM 0 HE3 LYS A 71 8.997 -15.757 9.366 1.00 3.51 H new ATOM 0 HZ1 LYS A 71 10.801 -17.320 8.319 1.00 4.89 H new ATOM 0 HZ2 LYS A 71 10.236 -15.971 7.457 1.00 4.89 H new ATOM 0 HZ3 LYS A 71 11.729 -15.899 8.263 1.00 4.89 H new ATOM 826 N ASP A 72 9.408 -9.429 9.107 1.00 1.40 N ATOM 827 CA ASP A 72 9.983 -8.317 8.298 1.00 1.36 C ATOM 828 C ASP A 72 11.141 -7.675 9.064 1.00 1.00 C ATOM 829 O ASP A 72 12.274 -7.692 8.625 1.00 1.16 O ATOM 830 CB ASP A 72 8.904 -7.265 8.032 1.00 1.57 C ATOM 831 CG ASP A 72 8.211 -7.573 6.706 1.00 2.05 C ATOM 832 OD1 ASP A 72 7.714 -8.678 6.561 1.00 2.33 O ATOM 833 OD2 ASP A 72 8.192 -6.700 5.855 1.00 2.58 O ATOM 0 H ASP A 72 8.404 -9.369 9.277 1.00 1.40 H new ATOM 0 HA ASP A 72 10.347 -8.711 7.349 1.00 1.36 H new ATOM 0 HB2 ASP A 72 8.176 -7.262 8.843 1.00 1.57 H new ATOM 0 HB3 ASP A 72 9.350 -6.271 8.000 1.00 1.57 H new ATOM 838 N GLY A 73 10.865 -7.109 10.205 1.00 0.72 N ATOM 839 CA GLY A 73 11.948 -6.466 11.000 1.00 0.67 C ATOM 840 C GLY A 73 11.723 -4.954 11.041 1.00 0.63 C ATOM 841 O GLY A 73 12.650 -4.183 11.191 1.00 0.88 O ATOM 0 H GLY A 73 9.935 -7.064 10.622 1.00 0.72 H new ATOM 0 HA2 GLY A 73 11.959 -6.870 12.012 1.00 0.67 H new ATOM 0 HA3 GLY A 73 12.919 -6.688 10.557 1.00 0.67 H new ATOM 845 N CYS A 74 10.499 -4.523 10.908 1.00 0.50 N ATOM 846 CA CYS A 74 10.217 -3.059 10.940 1.00 0.65 C ATOM 847 C CYS A 74 9.763 -2.658 12.344 1.00 0.65 C ATOM 848 O CYS A 74 9.043 -1.696 12.524 1.00 0.83 O ATOM 849 CB CYS A 74 9.115 -2.730 9.932 1.00 0.63 C ATOM 850 SG CYS A 74 9.856 -2.424 8.309 1.00 0.80 S ATOM 0 H CYS A 74 9.682 -5.120 10.779 1.00 0.50 H new ATOM 0 HA CYS A 74 11.121 -2.508 10.681 1.00 0.65 H new ATOM 0 HB2 CYS A 74 8.405 -3.555 9.870 1.00 0.63 H new ATOM 0 HB3 CYS A 74 8.557 -1.853 10.260 1.00 0.63 H new ATOM 855 N PHE A 75 10.179 -3.388 13.342 1.00 0.47 N ATOM 856 CA PHE A 75 9.774 -3.050 14.736 1.00 0.54 C ATOM 857 C PHE A 75 10.916 -3.394 15.693 1.00 0.55 C ATOM 858 O PHE A 75 11.896 -4.004 15.314 1.00 0.36 O ATOM 859 CB PHE A 75 8.529 -3.855 15.115 1.00 0.59 C ATOM 860 CG PHE A 75 7.459 -3.654 14.067 1.00 0.60 C ATOM 861 CD1 PHE A 75 6.833 -2.408 13.937 1.00 0.88 C ATOM 862 CD2 PHE A 75 7.094 -4.712 13.226 1.00 1.04 C ATOM 863 CE1 PHE A 75 5.841 -2.220 12.966 1.00 0.85 C ATOM 864 CE2 PHE A 75 6.103 -4.524 12.255 1.00 1.20 C ATOM 865 CZ PHE A 75 5.476 -3.278 12.126 1.00 0.82 C ATOM 0 H PHE A 75 10.783 -4.205 13.252 1.00 0.47 H new ATOM 0 HA PHE A 75 9.551 -1.985 14.803 1.00 0.54 H new ATOM 0 HB2 PHE A 75 8.778 -4.913 15.197 1.00 0.59 H new ATOM 0 HB3 PHE A 75 8.161 -3.538 16.091 1.00 0.59 H new ATOM 0 HD1 PHE A 75 7.115 -1.592 14.586 1.00 0.88 H new ATOM 0 HD2 PHE A 75 7.577 -5.673 13.326 1.00 1.04 H new ATOM 0 HE1 PHE A 75 5.358 -1.259 12.866 1.00 0.85 H new ATOM 0 HE2 PHE A 75 5.822 -5.340 11.605 1.00 1.20 H new ATOM 0 HZ PHE A 75 4.711 -3.134 11.378 1.00 0.82 H new ATOM 875 N GLN A 76 10.799 -3.007 16.934 1.00 0.94 N ATOM 876 CA GLN A 76 11.879 -3.309 17.918 1.00 1.01 C ATOM 877 C GLN A 76 12.183 -4.810 17.907 1.00 0.85 C ATOM 878 O GLN A 76 13.325 -5.224 17.930 1.00 0.71 O ATOM 879 CB GLN A 76 11.421 -2.895 19.317 1.00 1.37 C ATOM 880 CG GLN A 76 12.642 -2.676 20.212 1.00 1.50 C ATOM 881 CD GLN A 76 12.363 -3.246 21.604 1.00 2.64 C ATOM 882 OE1 GLN A 76 12.356 -4.446 21.792 1.00 3.66 O ATOM 883 NE2 GLN A 76 12.131 -2.428 22.595 1.00 2.88 N ATOM 0 H GLN A 76 10.002 -2.494 17.310 1.00 0.94 H new ATOM 0 HA GLN A 76 12.779 -2.756 17.647 1.00 1.01 H new ATOM 0 HB2 GLN A 76 10.829 -1.981 19.262 1.00 1.37 H new ATOM 0 HB3 GLN A 76 10.778 -3.665 19.743 1.00 1.37 H new ATOM 0 HG2 GLN A 76 13.516 -3.161 19.777 1.00 1.50 H new ATOM 0 HG3 GLN A 76 12.869 -1.612 20.282 1.00 1.50 H new ATOM 0 HE21 GLN A 76 12.137 -1.420 22.437 1.00 2.88 H new ATOM 0 HE22 GLN A 76 11.944 -2.797 23.527 1.00 2.88 H new ATOM 892 N SER A 77 11.166 -5.630 17.873 1.00 0.98 N ATOM 893 CA SER A 77 11.395 -7.102 17.862 1.00 1.08 C ATOM 894 C SER A 77 12.194 -7.487 16.615 1.00 1.00 C ATOM 895 O SER A 77 11.655 -7.596 15.530 1.00 1.46 O ATOM 896 CB SER A 77 10.048 -7.826 17.849 1.00 1.25 C ATOM 897 OG SER A 77 9.413 -7.614 16.594 1.00 2.87 O ATOM 0 H SER A 77 10.187 -5.343 17.852 1.00 0.98 H new ATOM 0 HA SER A 77 11.954 -7.389 18.753 1.00 1.08 H new ATOM 0 HB2 SER A 77 10.194 -8.893 18.020 1.00 1.25 H new ATOM 0 HB3 SER A 77 9.416 -7.457 18.657 1.00 1.25 H new ATOM 0 HG SER A 77 9.979 -7.970 15.877 1.00 2.87 H new ATOM 903 N GLY A 78 13.475 -7.694 16.758 1.00 0.82 N ATOM 904 CA GLY A 78 14.306 -8.070 15.578 1.00 0.65 C ATOM 905 C GLY A 78 14.231 -6.958 14.532 1.00 0.67 C ATOM 906 O GLY A 78 13.955 -7.200 13.373 1.00 0.73 O ATOM 0 H GLY A 78 13.982 -7.619 17.640 1.00 0.82 H new ATOM 0 HA2 GLY A 78 15.340 -8.229 15.883 1.00 0.65 H new ATOM 0 HA3 GLY A 78 13.951 -9.009 15.153 1.00 0.65 H new ATOM 910 N PHE A 79 14.471 -5.741 14.931 1.00 0.73 N ATOM 911 CA PHE A 79 14.411 -4.609 13.964 1.00 0.90 C ATOM 912 C PHE A 79 15.466 -4.806 12.871 1.00 0.87 C ATOM 913 O PHE A 79 16.606 -4.415 13.019 1.00 1.00 O ATOM 914 CB PHE A 79 14.680 -3.297 14.705 1.00 1.06 C ATOM 915 CG PHE A 79 14.659 -2.147 13.726 1.00 1.15 C ATOM 916 CD1 PHE A 79 13.496 -1.869 12.999 1.00 1.29 C ATOM 917 CD2 PHE A 79 15.802 -1.359 13.548 1.00 1.20 C ATOM 918 CE1 PHE A 79 13.477 -0.802 12.092 1.00 1.39 C ATOM 919 CE2 PHE A 79 15.783 -0.293 12.641 1.00 1.35 C ATOM 920 CZ PHE A 79 14.620 -0.014 11.914 1.00 1.40 C ATOM 0 H PHE A 79 14.707 -5.480 15.888 1.00 0.73 H new ATOM 0 HA PHE A 79 13.423 -4.575 13.506 1.00 0.90 H new ATOM 0 HB2 PHE A 79 13.927 -3.143 15.478 1.00 1.06 H new ATOM 0 HB3 PHE A 79 15.647 -3.343 15.207 1.00 1.06 H new ATOM 0 HD1 PHE A 79 12.614 -2.477 13.137 1.00 1.29 H new ATOM 0 HD2 PHE A 79 16.699 -1.573 14.110 1.00 1.20 H new ATOM 0 HE1 PHE A 79 12.580 -0.587 11.530 1.00 1.39 H new ATOM 0 HE2 PHE A 79 16.665 0.314 12.502 1.00 1.35 H new ATOM 0 HZ PHE A 79 14.605 0.810 11.215 1.00 1.40 H new ATOM 930 N ASN A 80 15.092 -5.398 11.770 1.00 0.98 N ATOM 931 CA ASN A 80 16.072 -5.608 10.668 1.00 0.93 C ATOM 932 C ASN A 80 16.134 -4.345 9.806 1.00 1.14 C ATOM 933 O ASN A 80 15.739 -3.277 10.229 1.00 1.87 O ATOM 934 CB ASN A 80 15.629 -6.792 9.806 1.00 0.87 C ATOM 935 CG ASN A 80 16.784 -7.787 9.674 1.00 0.44 C ATOM 936 OD1 ASN A 80 17.558 -7.717 8.741 1.00 1.47 O ATOM 937 ND2 ASN A 80 16.932 -8.718 10.578 1.00 0.59 N ATOM 0 H ASN A 80 14.151 -5.745 11.586 1.00 0.98 H new ATOM 0 HA ASN A 80 17.056 -5.817 11.088 1.00 0.93 H new ATOM 0 HB2 ASN A 80 14.764 -7.280 10.256 1.00 0.87 H new ATOM 0 HB3 ASN A 80 15.321 -6.443 8.820 1.00 0.87 H new ATOM 0 HD21 ASN A 80 17.698 -9.387 10.501 1.00 0.59 H new ATOM 0 HD22 ASN A 80 16.281 -8.776 11.361 1.00 0.59 H new ATOM 944 N GLU A 81 16.624 -4.454 8.601 1.00 0.62 N ATOM 945 CA GLU A 81 16.705 -3.252 7.722 1.00 0.76 C ATOM 946 C GLU A 81 16.621 -3.676 6.254 1.00 0.57 C ATOM 947 O GLU A 81 15.759 -3.237 5.519 1.00 0.53 O ATOM 948 CB GLU A 81 18.032 -2.529 7.960 1.00 0.94 C ATOM 949 CG GLU A 81 18.095 -2.040 9.408 1.00 1.12 C ATOM 950 CD GLU A 81 19.119 -0.910 9.523 1.00 1.59 C ATOM 951 OE1 GLU A 81 19.959 -0.806 8.644 1.00 1.39 O ATOM 952 OE2 GLU A 81 19.046 -0.168 10.487 1.00 2.29 O ATOM 0 H GLU A 81 16.971 -5.320 8.188 1.00 0.62 H new ATOM 0 HA GLU A 81 15.876 -2.584 7.956 1.00 0.76 H new ATOM 0 HB2 GLU A 81 18.866 -3.201 7.755 1.00 0.94 H new ATOM 0 HB3 GLU A 81 18.127 -1.686 7.276 1.00 0.94 H new ATOM 0 HG2 GLU A 81 17.114 -1.689 9.727 1.00 1.12 H new ATOM 0 HG3 GLU A 81 18.370 -2.862 10.069 1.00 1.12 H new ATOM 959 N GLU A 82 17.514 -4.523 5.817 1.00 0.50 N ATOM 960 CA GLU A 82 17.488 -4.966 4.395 1.00 0.38 C ATOM 961 C GLU A 82 16.238 -5.811 4.137 1.00 0.40 C ATOM 962 O GLU A 82 15.772 -5.919 3.019 1.00 0.44 O ATOM 963 CB GLU A 82 18.737 -5.801 4.101 1.00 0.40 C ATOM 964 CG GLU A 82 18.751 -6.195 2.624 1.00 0.31 C ATOM 965 CD GLU A 82 18.502 -7.699 2.493 1.00 0.99 C ATOM 966 OE1 GLU A 82 17.437 -8.140 2.893 1.00 1.86 O ATOM 967 OE2 GLU A 82 19.381 -8.384 1.997 1.00 0.83 O ATOM 0 H GLU A 82 18.260 -4.927 6.384 1.00 0.50 H new ATOM 0 HA GLU A 82 17.470 -4.091 3.745 1.00 0.38 H new ATOM 0 HB2 GLU A 82 19.634 -5.232 4.345 1.00 0.40 H new ATOM 0 HB3 GLU A 82 18.746 -6.694 4.727 1.00 0.40 H new ATOM 0 HG2 GLU A 82 17.985 -5.641 2.082 1.00 0.31 H new ATOM 0 HG3 GLU A 82 19.710 -5.934 2.176 1.00 0.31 H new ATOM 974 N THR A 83 15.689 -6.407 5.158 1.00 0.48 N ATOM 975 CA THR A 83 14.470 -7.239 4.960 1.00 0.59 C ATOM 976 C THR A 83 13.241 -6.332 4.951 1.00 0.60 C ATOM 977 O THR A 83 12.223 -6.657 4.374 1.00 0.58 O ATOM 978 CB THR A 83 14.351 -8.257 6.095 1.00 0.69 C ATOM 979 OG1 THR A 83 15.587 -8.940 6.248 1.00 0.60 O ATOM 980 CG2 THR A 83 13.249 -9.260 5.758 1.00 0.84 C ATOM 0 H THR A 83 16.030 -6.354 6.118 1.00 0.48 H new ATOM 0 HA THR A 83 14.540 -7.771 4.011 1.00 0.59 H new ATOM 0 HB THR A 83 14.105 -7.744 7.025 1.00 0.69 H new ATOM 0 HG1 THR A 83 15.513 -9.592 6.976 1.00 0.60 H new ATOM 0 HG21 THR A 83 13.160 -9.988 6.564 1.00 0.84 H new ATOM 0 HG22 THR A 83 12.302 -8.734 5.639 1.00 0.84 H new ATOM 0 HG23 THR A 83 13.497 -9.775 4.830 1.00 0.84 H new ATOM 988 N CYS A 84 13.329 -5.193 5.578 1.00 0.64 N ATOM 989 CA CYS A 84 12.166 -4.265 5.592 1.00 0.66 C ATOM 990 C CYS A 84 12.129 -3.501 4.270 1.00 0.64 C ATOM 991 O CYS A 84 11.081 -3.132 3.777 1.00 0.86 O ATOM 992 CB CYS A 84 12.309 -3.279 6.753 1.00 0.60 C ATOM 993 SG CYS A 84 11.292 -3.837 8.143 1.00 0.68 S ATOM 0 H CYS A 84 14.154 -4.865 6.080 1.00 0.64 H new ATOM 0 HA CYS A 84 11.243 -4.830 5.718 1.00 0.66 H new ATOM 0 HB2 CYS A 84 13.353 -3.207 7.058 1.00 0.60 H new ATOM 0 HB3 CYS A 84 12.000 -2.282 6.439 1.00 0.60 H new ATOM 998 N LEU A 85 13.274 -3.272 3.687 1.00 0.54 N ATOM 999 CA LEU A 85 13.325 -2.545 2.390 1.00 0.51 C ATOM 1000 C LEU A 85 12.833 -3.474 1.279 1.00 0.58 C ATOM 1001 O LEU A 85 12.057 -3.089 0.428 1.00 0.59 O ATOM 1002 CB LEU A 85 14.770 -2.126 2.106 1.00 0.42 C ATOM 1003 CG LEU A 85 14.785 -0.938 1.146 1.00 0.38 C ATOM 1004 CD1 LEU A 85 14.349 0.327 1.887 1.00 0.46 C ATOM 1005 CD2 LEU A 85 16.203 -0.744 0.602 1.00 0.35 C ATOM 0 H LEU A 85 14.180 -3.559 4.057 1.00 0.54 H new ATOM 0 HA LEU A 85 12.692 -1.659 2.433 1.00 0.51 H new ATOM 0 HB2 LEU A 85 15.271 -1.859 3.037 1.00 0.42 H new ATOM 0 HB3 LEU A 85 15.322 -2.961 1.675 1.00 0.42 H new ATOM 0 HG LEU A 85 14.098 -1.130 0.322 1.00 0.38 H new ATOM 0 HD11 LEU A 85 14.360 1.173 1.200 1.00 0.46 H new ATOM 0 HD12 LEU A 85 13.341 0.190 2.278 1.00 0.46 H new ATOM 0 HD13 LEU A 85 15.035 0.520 2.712 1.00 0.46 H new ATOM 0 HD21 LEU A 85 16.217 0.103 -0.084 1.00 0.35 H new ATOM 0 HD22 LEU A 85 16.887 -0.553 1.429 1.00 0.35 H new ATOM 0 HD23 LEU A 85 16.516 -1.644 0.073 1.00 0.35 H new ATOM 1017 N VAL A 86 13.283 -4.700 1.284 1.00 0.63 N ATOM 1018 CA VAL A 86 12.853 -5.668 0.233 1.00 0.68 C ATOM 1019 C VAL A 86 11.365 -5.994 0.395 1.00 0.54 C ATOM 1020 O VAL A 86 10.631 -6.055 -0.565 1.00 0.51 O ATOM 1021 CB VAL A 86 13.658 -6.959 0.385 1.00 0.80 C ATOM 1022 CG1 VAL A 86 13.218 -7.966 -0.681 1.00 1.10 C ATOM 1023 CG2 VAL A 86 15.149 -6.656 0.216 1.00 0.73 C ATOM 0 H VAL A 86 13.933 -5.075 1.975 1.00 0.63 H new ATOM 0 HA VAL A 86 13.022 -5.227 -0.749 1.00 0.68 H new ATOM 0 HB VAL A 86 13.483 -7.379 1.375 1.00 0.80 H new ATOM 0 HG11 VAL A 86 13.792 -8.886 -0.572 1.00 1.10 H new ATOM 0 HG12 VAL A 86 12.157 -8.184 -0.560 1.00 1.10 H new ATOM 0 HG13 VAL A 86 13.391 -7.546 -1.672 1.00 1.10 H new ATOM 0 HG21 VAL A 86 15.722 -7.577 0.325 1.00 0.73 H new ATOM 0 HG22 VAL A 86 15.325 -6.234 -0.773 1.00 0.73 H new ATOM 0 HG23 VAL A 86 15.464 -5.941 0.976 1.00 0.73 H new ATOM 1033 N LYS A 87 10.915 -6.227 1.597 1.00 0.49 N ATOM 1034 CA LYS A 87 9.478 -6.573 1.794 1.00 0.42 C ATOM 1035 C LYS A 87 8.585 -5.425 1.324 1.00 0.44 C ATOM 1036 O LYS A 87 7.570 -5.644 0.693 1.00 0.66 O ATOM 1037 CB LYS A 87 9.210 -6.863 3.272 1.00 0.45 C ATOM 1038 CG LYS A 87 9.766 -8.244 3.632 1.00 1.18 C ATOM 1039 CD LYS A 87 9.122 -9.309 2.740 1.00 1.06 C ATOM 1040 CE LYS A 87 8.566 -10.434 3.614 1.00 0.96 C ATOM 1041 NZ LYS A 87 7.219 -10.832 3.116 1.00 1.29 N ATOM 0 H LYS A 87 11.476 -6.193 2.448 1.00 0.49 H new ATOM 0 HA LYS A 87 9.249 -7.461 1.205 1.00 0.42 H new ATOM 0 HB2 LYS A 87 9.676 -6.099 3.894 1.00 0.45 H new ATOM 0 HB3 LYS A 87 8.139 -6.827 3.472 1.00 0.45 H new ATOM 0 HG2 LYS A 87 10.848 -8.255 3.504 1.00 1.18 H new ATOM 0 HG3 LYS A 87 9.566 -8.465 4.681 1.00 1.18 H new ATOM 0 HD2 LYS A 87 8.323 -8.867 2.145 1.00 1.06 H new ATOM 0 HD3 LYS A 87 9.857 -9.706 2.040 1.00 1.06 H new ATOM 0 HE2 LYS A 87 9.240 -11.290 3.595 1.00 0.96 H new ATOM 0 HE3 LYS A 87 8.499 -10.104 4.651 1.00 0.96 H new ATOM 0 HZ1 LYS A 87 6.841 -11.597 3.711 1.00 1.29 H new ATOM 0 HZ2 LYS A 87 6.578 -10.014 3.156 1.00 1.29 H new ATOM 0 HZ3 LYS A 87 7.296 -11.163 2.133 1.00 1.29 H new ATOM 1055 N ILE A 88 8.945 -4.206 1.612 1.00 0.47 N ATOM 1056 CA ILE A 88 8.097 -3.068 1.151 1.00 0.69 C ATOM 1057 C ILE A 88 8.343 -2.839 -0.344 1.00 0.41 C ATOM 1058 O ILE A 88 7.550 -2.224 -1.027 1.00 0.34 O ATOM 1059 CB ILE A 88 8.445 -1.801 1.935 1.00 1.11 C ATOM 1060 CG1 ILE A 88 8.112 -2.014 3.414 1.00 1.37 C ATOM 1061 CG2 ILE A 88 7.626 -0.623 1.395 1.00 1.51 C ATOM 1062 CD1 ILE A 88 8.428 -0.741 4.200 1.00 0.54 C ATOM 0 H ILE A 88 9.779 -3.948 2.140 1.00 0.47 H new ATOM 0 HA ILE A 88 7.046 -3.304 1.321 1.00 0.69 H new ATOM 0 HB ILE A 88 9.508 -1.585 1.825 1.00 1.11 H new ATOM 0 HG12 ILE A 88 7.059 -2.271 3.527 1.00 1.37 H new ATOM 0 HG13 ILE A 88 8.688 -2.850 3.810 1.00 1.37 H new ATOM 0 HG21 ILE A 88 7.874 0.279 1.954 1.00 1.51 H new ATOM 0 HG22 ILE A 88 7.857 -0.472 0.341 1.00 1.51 H new ATOM 0 HG23 ILE A 88 6.563 -0.838 1.506 1.00 1.51 H new ATOM 0 HD11 ILE A 88 8.190 -0.895 5.253 1.00 0.54 H new ATOM 0 HD12 ILE A 88 9.487 -0.504 4.098 1.00 0.54 H new ATOM 0 HD13 ILE A 88 7.832 0.084 3.810 1.00 0.54 H new ATOM 1074 N ILE A 89 9.436 -3.339 -0.853 1.00 0.32 N ATOM 1075 CA ILE A 89 9.739 -3.170 -2.298 1.00 0.35 C ATOM 1076 C ILE A 89 8.845 -4.136 -3.094 1.00 0.44 C ATOM 1077 O ILE A 89 7.892 -3.735 -3.735 1.00 0.41 O ATOM 1078 CB ILE A 89 11.239 -3.467 -2.495 1.00 0.65 C ATOM 1079 CG1 ILE A 89 12.035 -2.183 -2.246 1.00 0.94 C ATOM 1080 CG2 ILE A 89 11.544 -3.968 -3.909 1.00 0.51 C ATOM 1081 CD1 ILE A 89 13.532 -2.492 -2.281 1.00 0.77 C ATOM 0 H ILE A 89 10.135 -3.860 -0.324 1.00 0.32 H new ATOM 0 HA ILE A 89 9.536 -2.159 -2.652 1.00 0.35 H new ATOM 0 HB ILE A 89 11.521 -4.250 -1.791 1.00 0.65 H new ATOM 0 HG12 ILE A 89 11.789 -1.438 -3.003 1.00 0.94 H new ATOM 0 HG13 ILE A 89 11.764 -1.757 -1.280 1.00 0.94 H new ATOM 0 HG21 ILE A 89 12.612 -4.165 -4.003 1.00 0.51 H new ATOM 0 HG22 ILE A 89 10.988 -4.886 -4.097 1.00 0.51 H new ATOM 0 HG23 ILE A 89 11.249 -3.210 -4.635 1.00 0.51 H new ATOM 0 HD11 ILE A 89 14.097 -1.577 -2.104 1.00 0.77 H new ATOM 0 HD12 ILE A 89 13.771 -3.222 -1.507 1.00 0.77 H new ATOM 0 HD13 ILE A 89 13.797 -2.898 -3.257 1.00 0.77 H new ATOM 1093 N THR A 90 9.138 -5.404 -3.048 1.00 0.79 N ATOM 1094 CA THR A 90 8.298 -6.388 -3.780 1.00 1.17 C ATOM 1095 C THR A 90 6.861 -6.281 -3.259 1.00 1.12 C ATOM 1096 O THR A 90 5.907 -6.519 -3.972 1.00 1.37 O ATOM 1097 CB THR A 90 8.844 -7.801 -3.533 1.00 1.53 C ATOM 1098 OG1 THR A 90 8.175 -8.720 -4.384 1.00 2.34 O ATOM 1099 CG2 THR A 90 8.625 -8.205 -2.070 1.00 0.55 C ATOM 0 H THR A 90 9.924 -5.802 -2.534 1.00 0.79 H new ATOM 0 HA THR A 90 8.316 -6.184 -4.851 1.00 1.17 H new ATOM 0 HB THR A 90 9.913 -7.812 -3.747 1.00 1.53 H new ATOM 0 HG1 THR A 90 7.332 -8.326 -4.693 1.00 2.34 H new ATOM 0 HG21 THR A 90 9.016 -9.209 -1.907 1.00 0.55 H new ATOM 0 HG22 THR A 90 9.144 -7.503 -1.417 1.00 0.55 H new ATOM 0 HG23 THR A 90 7.559 -8.190 -1.844 1.00 0.55 H new ATOM 1107 N GLY A 91 6.714 -5.919 -2.012 1.00 0.97 N ATOM 1108 CA GLY A 91 5.353 -5.786 -1.421 1.00 1.14 C ATOM 1109 C GLY A 91 4.657 -4.568 -2.024 1.00 0.90 C ATOM 1110 O GLY A 91 3.454 -4.543 -2.175 1.00 1.06 O ATOM 0 H GLY A 91 7.483 -5.709 -1.375 1.00 0.97 H new ATOM 0 HA2 GLY A 91 4.770 -6.686 -1.616 1.00 1.14 H new ATOM 0 HA3 GLY A 91 5.423 -5.680 -0.338 1.00 1.14 H new ATOM 1114 N LEU A 92 5.406 -3.558 -2.371 1.00 0.53 N ATOM 1115 CA LEU A 92 4.794 -2.341 -2.974 1.00 0.37 C ATOM 1116 C LEU A 92 4.328 -2.666 -4.396 1.00 0.17 C ATOM 1117 O LEU A 92 3.382 -2.089 -4.888 1.00 0.17 O ATOM 1118 CB LEU A 92 5.828 -1.217 -3.025 1.00 0.33 C ATOM 1119 CG LEU A 92 5.653 -0.304 -1.810 1.00 0.48 C ATOM 1120 CD1 LEU A 92 6.720 0.792 -1.837 1.00 0.61 C ATOM 1121 CD2 LEU A 92 4.263 0.338 -1.849 1.00 0.92 C ATOM 0 H LEU A 92 6.420 -3.523 -2.262 1.00 0.53 H new ATOM 0 HA LEU A 92 3.945 -2.023 -2.370 1.00 0.37 H new ATOM 0 HB2 LEU A 92 6.835 -1.635 -3.036 1.00 0.33 H new ATOM 0 HB3 LEU A 92 5.711 -0.643 -3.944 1.00 0.33 H new ATOM 0 HG LEU A 92 5.757 -0.891 -0.898 1.00 0.48 H new ATOM 0 HD11 LEU A 92 6.595 1.443 -0.971 1.00 0.61 H new ATOM 0 HD12 LEU A 92 7.710 0.337 -1.809 1.00 0.61 H new ATOM 0 HD13 LEU A 92 6.616 1.379 -2.750 1.00 0.61 H new ATOM 0 HD21 LEU A 92 4.138 0.988 -0.983 1.00 0.92 H new ATOM 0 HD22 LEU A 92 4.159 0.925 -2.762 1.00 0.92 H new ATOM 0 HD23 LEU A 92 3.501 -0.442 -1.830 1.00 0.92 H new ATOM 1133 N LEU A 93 4.979 -3.589 -5.059 1.00 0.30 N ATOM 1134 CA LEU A 93 4.552 -3.949 -6.446 1.00 0.43 C ATOM 1135 C LEU A 93 3.152 -4.587 -6.366 1.00 0.47 C ATOM 1136 O LEU A 93 2.243 -4.253 -7.118 1.00 0.47 O ATOM 1137 CB LEU A 93 5.551 -4.946 -7.049 1.00 0.69 C ATOM 1138 CG LEU A 93 6.731 -4.186 -7.667 1.00 1.12 C ATOM 1139 CD1 LEU A 93 8.020 -5.004 -7.515 1.00 1.41 C ATOM 1140 CD2 LEU A 93 6.456 -3.947 -9.153 1.00 1.23 C ATOM 0 H LEU A 93 5.783 -4.106 -4.703 1.00 0.30 H new ATOM 0 HA LEU A 93 4.522 -3.062 -7.078 1.00 0.43 H new ATOM 0 HB2 LEU A 93 5.909 -5.628 -6.278 1.00 0.69 H new ATOM 0 HB3 LEU A 93 5.059 -5.554 -7.809 1.00 0.69 H new ATOM 0 HG LEU A 93 6.850 -3.232 -7.154 1.00 1.12 H new ATOM 0 HD11 LEU A 93 8.853 -4.456 -7.957 1.00 1.41 H new ATOM 0 HD12 LEU A 93 8.219 -5.176 -6.457 1.00 1.41 H new ATOM 0 HD13 LEU A 93 7.905 -5.962 -8.023 1.00 1.41 H new ATOM 0 HD21 LEU A 93 7.293 -3.407 -9.596 1.00 1.23 H new ATOM 0 HD22 LEU A 93 6.334 -4.905 -9.659 1.00 1.23 H new ATOM 0 HD23 LEU A 93 5.545 -3.359 -9.264 1.00 1.23 H new ATOM 1152 N GLU A 94 2.961 -5.480 -5.428 1.00 0.51 N ATOM 1153 CA GLU A 94 1.619 -6.103 -5.267 1.00 0.58 C ATOM 1154 C GLU A 94 0.656 -4.983 -4.890 1.00 0.51 C ATOM 1155 O GLU A 94 -0.456 -4.899 -5.374 1.00 0.52 O ATOM 1156 CB GLU A 94 1.660 -7.151 -4.151 1.00 0.68 C ATOM 1157 CG GLU A 94 2.007 -8.518 -4.743 1.00 1.03 C ATOM 1158 CD GLU A 94 1.150 -9.597 -4.078 1.00 0.97 C ATOM 1159 OE1 GLU A 94 1.078 -9.602 -2.860 1.00 0.97 O ATOM 1160 OE2 GLU A 94 0.579 -10.400 -4.797 1.00 1.63 O ATOM 0 H GLU A 94 3.673 -5.801 -4.772 1.00 0.51 H new ATOM 0 HA GLU A 94 1.305 -6.599 -6.185 1.00 0.58 H new ATOM 0 HB2 GLU A 94 2.400 -6.870 -3.401 1.00 0.68 H new ATOM 0 HB3 GLU A 94 0.695 -7.197 -3.646 1.00 0.68 H new ATOM 0 HG2 GLU A 94 1.834 -8.514 -5.819 1.00 1.03 H new ATOM 0 HG3 GLU A 94 3.064 -8.734 -4.591 1.00 1.03 H new ATOM 1167 N PHE A 95 1.103 -4.088 -4.055 1.00 0.44 N ATOM 1168 CA PHE A 95 0.251 -2.936 -3.673 1.00 0.41 C ATOM 1169 C PHE A 95 -0.120 -2.197 -4.953 1.00 0.36 C ATOM 1170 O PHE A 95 -1.169 -1.609 -5.062 1.00 0.39 O ATOM 1171 CB PHE A 95 1.045 -2.005 -2.751 1.00 0.36 C ATOM 1172 CG PHE A 95 0.802 -2.364 -1.300 1.00 0.46 C ATOM 1173 CD1 PHE A 95 0.501 -3.684 -0.930 1.00 0.97 C ATOM 1174 CD2 PHE A 95 0.880 -1.367 -0.319 1.00 0.49 C ATOM 1175 CE1 PHE A 95 0.278 -4.002 0.413 1.00 1.06 C ATOM 1176 CE2 PHE A 95 0.656 -1.687 1.025 1.00 0.52 C ATOM 1177 CZ PHE A 95 0.355 -3.004 1.391 1.00 0.66 C ATOM 0 H PHE A 95 2.026 -4.108 -3.621 1.00 0.44 H new ATOM 0 HA PHE A 95 -0.645 -3.269 -3.150 1.00 0.41 H new ATOM 0 HB2 PHE A 95 2.109 -2.080 -2.977 1.00 0.36 H new ATOM 0 HB3 PHE A 95 0.753 -0.970 -2.930 1.00 0.36 H new ATOM 0 HD1 PHE A 95 0.442 -4.455 -1.684 1.00 0.97 H new ATOM 0 HD2 PHE A 95 1.113 -0.351 -0.600 1.00 0.49 H new ATOM 0 HE1 PHE A 95 0.046 -5.018 0.696 1.00 1.06 H new ATOM 0 HE2 PHE A 95 0.715 -0.917 1.780 1.00 0.52 H new ATOM 0 HZ PHE A 95 0.182 -3.250 2.428 1.00 0.66 H new ATOM 1187 N GLU A 96 0.750 -2.254 -5.928 1.00 0.32 N ATOM 1188 CA GLU A 96 0.491 -1.589 -7.232 1.00 0.30 C ATOM 1189 C GLU A 96 -0.789 -2.152 -7.830 1.00 0.29 C ATOM 1190 O GLU A 96 -1.633 -1.420 -8.306 1.00 0.26 O ATOM 1191 CB GLU A 96 1.653 -1.867 -8.178 1.00 0.32 C ATOM 1192 CG GLU A 96 1.878 -0.655 -9.078 1.00 0.58 C ATOM 1193 CD GLU A 96 1.590 -1.035 -10.532 1.00 1.12 C ATOM 1194 OE1 GLU A 96 0.433 -0.995 -10.914 1.00 1.36 O ATOM 1195 OE2 GLU A 96 2.531 -1.361 -11.237 1.00 2.15 O ATOM 0 H GLU A 96 1.643 -2.743 -5.871 1.00 0.32 H new ATOM 0 HA GLU A 96 0.389 -0.514 -7.085 1.00 0.30 H new ATOM 0 HB2 GLU A 96 2.557 -2.083 -7.608 1.00 0.32 H new ATOM 0 HB3 GLU A 96 1.440 -2.748 -8.783 1.00 0.32 H new ATOM 0 HG2 GLU A 96 1.229 0.165 -8.770 1.00 0.58 H new ATOM 0 HG3 GLU A 96 2.905 -0.302 -8.980 1.00 0.58 H new ATOM 1202 N VAL A 97 -0.951 -3.450 -7.816 1.00 0.32 N ATOM 1203 CA VAL A 97 -2.216 -4.016 -8.385 1.00 0.31 C ATOM 1204 C VAL A 97 -3.394 -3.476 -7.552 1.00 0.28 C ATOM 1205 O VAL A 97 -4.463 -3.193 -8.070 1.00 0.26 O ATOM 1206 CB VAL A 97 -2.197 -5.561 -8.380 1.00 0.36 C ATOM 1207 CG1 VAL A 97 -2.177 -6.116 -6.952 1.00 0.36 C ATOM 1208 CG2 VAL A 97 -3.448 -6.076 -9.096 1.00 0.29 C ATOM 0 H VAL A 97 -0.284 -4.128 -7.447 1.00 0.32 H new ATOM 0 HA VAL A 97 -2.320 -3.710 -9.426 1.00 0.31 H new ATOM 0 HB VAL A 97 -1.293 -5.894 -8.890 1.00 0.36 H new ATOM 0 HG11 VAL A 97 -2.164 -7.205 -6.985 1.00 0.36 H new ATOM 0 HG12 VAL A 97 -1.287 -5.758 -6.435 1.00 0.36 H new ATOM 0 HG13 VAL A 97 -3.066 -5.780 -6.419 1.00 0.36 H new ATOM 0 HG21 VAL A 97 -3.444 -7.166 -9.098 1.00 0.29 H new ATOM 0 HG22 VAL A 97 -4.337 -5.718 -8.578 1.00 0.29 H new ATOM 0 HG23 VAL A 97 -3.455 -5.712 -10.123 1.00 0.29 H new ATOM 1218 N TYR A 98 -3.197 -3.288 -6.270 1.00 0.29 N ATOM 1219 CA TYR A 98 -4.294 -2.731 -5.424 1.00 0.26 C ATOM 1220 C TYR A 98 -4.482 -1.256 -5.789 1.00 0.27 C ATOM 1221 O TYR A 98 -5.542 -0.688 -5.616 1.00 0.24 O ATOM 1222 CB TYR A 98 -3.923 -2.854 -3.946 1.00 0.29 C ATOM 1223 CG TYR A 98 -4.146 -4.277 -3.501 1.00 0.21 C ATOM 1224 CD1 TYR A 98 -5.449 -4.775 -3.388 1.00 0.38 C ATOM 1225 CD2 TYR A 98 -3.053 -5.098 -3.206 1.00 0.28 C ATOM 1226 CE1 TYR A 98 -5.659 -6.098 -2.982 1.00 0.56 C ATOM 1227 CE2 TYR A 98 -3.262 -6.420 -2.799 1.00 0.45 C ATOM 1228 CZ TYR A 98 -4.565 -6.920 -2.686 1.00 0.58 C ATOM 1229 OH TYR A 98 -4.771 -8.223 -2.286 1.00 0.82 O ATOM 0 H TYR A 98 -2.329 -3.495 -5.777 1.00 0.29 H new ATOM 0 HA TYR A 98 -5.218 -3.282 -5.599 1.00 0.26 H new ATOM 0 HB2 TYR A 98 -2.881 -2.571 -3.794 1.00 0.29 H new ATOM 0 HB3 TYR A 98 -4.529 -2.173 -3.348 1.00 0.29 H new ATOM 0 HD1 TYR A 98 -6.292 -4.139 -3.614 1.00 0.38 H new ATOM 0 HD2 TYR A 98 -2.048 -4.712 -3.292 1.00 0.28 H new ATOM 0 HE1 TYR A 98 -6.664 -6.484 -2.897 1.00 0.56 H new ATOM 0 HE2 TYR A 98 -2.418 -7.055 -2.572 1.00 0.45 H new ATOM 0 HH TYR A 98 -5.733 -8.409 -2.261 1.00 0.82 H new ATOM 1239 N LEU A 99 -3.460 -0.646 -6.330 1.00 0.31 N ATOM 1240 CA LEU A 99 -3.566 0.772 -6.751 1.00 0.32 C ATOM 1241 C LEU A 99 -4.415 0.792 -8.008 1.00 0.28 C ATOM 1242 O LEU A 99 -5.172 1.708 -8.251 1.00 0.26 O ATOM 1243 CB LEU A 99 -2.178 1.335 -7.051 1.00 0.39 C ATOM 1244 CG LEU A 99 -1.398 1.472 -5.746 1.00 0.46 C ATOM 1245 CD1 LEU A 99 0.024 1.954 -6.043 1.00 0.54 C ATOM 1246 CD2 LEU A 99 -2.106 2.482 -4.845 1.00 0.36 C ATOM 0 H LEU A 99 -2.551 -1.078 -6.497 1.00 0.31 H new ATOM 0 HA LEU A 99 -4.012 1.381 -5.965 1.00 0.32 H new ATOM 0 HB2 LEU A 99 -1.647 0.677 -7.739 1.00 0.39 H new ATOM 0 HB3 LEU A 99 -2.264 2.305 -7.540 1.00 0.39 H new ATOM 0 HG LEU A 99 -1.348 0.505 -5.245 1.00 0.46 H new ATOM 0 HD11 LEU A 99 0.578 2.051 -5.109 1.00 0.54 H new ATOM 0 HD12 LEU A 99 0.525 1.233 -6.689 1.00 0.54 H new ATOM 0 HD13 LEU A 99 -0.017 2.922 -6.543 1.00 0.54 H new ATOM 0 HD21 LEU A 99 -1.554 2.585 -3.911 1.00 0.36 H new ATOM 0 HD22 LEU A 99 -2.152 3.448 -5.348 1.00 0.36 H new ATOM 0 HD23 LEU A 99 -3.117 2.134 -4.633 1.00 0.36 H new ATOM 1258 N GLU A 100 -4.336 -0.260 -8.781 1.00 0.29 N ATOM 1259 CA GLU A 100 -5.184 -0.358 -9.986 1.00 0.27 C ATOM 1260 C GLU A 100 -6.620 -0.330 -9.480 1.00 0.20 C ATOM 1261 O GLU A 100 -7.512 0.225 -10.090 1.00 0.18 O ATOM 1262 CB GLU A 100 -4.900 -1.684 -10.693 1.00 0.30 C ATOM 1263 CG GLU A 100 -4.953 -1.488 -12.208 1.00 0.36 C ATOM 1264 CD GLU A 100 -6.327 -0.947 -12.610 1.00 0.75 C ATOM 1265 OE1 GLU A 100 -7.283 -1.702 -12.540 1.00 1.43 O ATOM 1266 OE2 GLU A 100 -6.400 0.213 -12.983 1.00 0.79 O ATOM 0 H GLU A 100 -3.716 -1.054 -8.621 1.00 0.29 H new ATOM 0 HA GLU A 100 -4.995 0.449 -10.694 1.00 0.27 H new ATOM 0 HB2 GLU A 100 -3.919 -2.059 -10.400 1.00 0.30 H new ATOM 0 HB3 GLU A 100 -5.632 -2.432 -10.389 1.00 0.30 H new ATOM 0 HG2 GLU A 100 -4.172 -0.795 -12.522 1.00 0.36 H new ATOM 0 HG3 GLU A 100 -4.762 -2.434 -12.714 1.00 0.36 H new ATOM 1273 N TYR A 101 -6.819 -0.910 -8.323 1.00 0.18 N ATOM 1274 CA TYR A 101 -8.162 -0.908 -7.700 1.00 0.12 C ATOM 1275 C TYR A 101 -8.596 0.532 -7.474 1.00 0.11 C ATOM 1276 O TYR A 101 -9.677 0.939 -7.846 1.00 0.09 O ATOM 1277 CB TYR A 101 -8.088 -1.630 -6.352 1.00 0.13 C ATOM 1278 CG TYR A 101 -9.258 -2.568 -6.217 1.00 0.11 C ATOM 1279 CD1 TYR A 101 -9.584 -3.427 -7.270 1.00 0.21 C ATOM 1280 CD2 TYR A 101 -10.015 -2.576 -5.040 1.00 0.13 C ATOM 1281 CE1 TYR A 101 -10.672 -4.295 -7.154 1.00 0.21 C ATOM 1282 CE2 TYR A 101 -11.103 -3.446 -4.922 1.00 0.12 C ATOM 1283 CZ TYR A 101 -11.431 -4.306 -5.978 1.00 0.07 C ATOM 1284 OH TYR A 101 -12.507 -5.159 -5.860 1.00 0.08 O ATOM 0 H TYR A 101 -6.096 -1.387 -7.784 1.00 0.18 H new ATOM 0 HA TYR A 101 -8.877 -1.414 -8.349 1.00 0.12 H new ATOM 0 HB2 TYR A 101 -7.153 -2.185 -6.276 1.00 0.13 H new ATOM 0 HB3 TYR A 101 -8.095 -0.905 -5.539 1.00 0.13 H new ATOM 0 HD1 TYR A 101 -8.994 -3.420 -8.175 1.00 0.21 H new ATOM 0 HD2 TYR A 101 -9.760 -1.913 -4.226 1.00 0.13 H new ATOM 0 HE1 TYR A 101 -10.927 -4.956 -7.969 1.00 0.21 H new ATOM 0 HE2 TYR A 101 -11.691 -3.455 -4.016 1.00 0.12 H new ATOM 0 HH TYR A 101 -13.082 -4.861 -5.124 1.00 0.08 H new ATOM 1294 N LEU A 102 -7.756 1.302 -6.855 1.00 0.15 N ATOM 1295 CA LEU A 102 -8.098 2.720 -6.581 1.00 0.16 C ATOM 1296 C LEU A 102 -7.610 3.599 -7.731 1.00 0.18 C ATOM 1297 O LEU A 102 -7.556 4.807 -7.619 1.00 0.24 O ATOM 1298 CB LEU A 102 -7.418 3.154 -5.283 1.00 0.23 C ATOM 1299 CG LEU A 102 -7.594 2.065 -4.220 1.00 0.22 C ATOM 1300 CD1 LEU A 102 -6.263 1.821 -3.513 1.00 0.25 C ATOM 1301 CD2 LEU A 102 -8.644 2.516 -3.215 1.00 0.25 C ATOM 0 H LEU A 102 -6.837 1.008 -6.523 1.00 0.15 H new ATOM 0 HA LEU A 102 -9.179 2.824 -6.485 1.00 0.16 H new ATOM 0 HB2 LEU A 102 -6.358 3.336 -5.459 1.00 0.23 H new ATOM 0 HB3 LEU A 102 -7.848 4.092 -4.932 1.00 0.23 H new ATOM 0 HG LEU A 102 -7.919 1.137 -4.690 1.00 0.22 H new ATOM 0 HD11 LEU A 102 -6.389 1.046 -2.757 1.00 0.25 H new ATOM 0 HD12 LEU A 102 -5.518 1.500 -4.241 1.00 0.25 H new ATOM 0 HD13 LEU A 102 -5.930 2.743 -3.036 1.00 0.25 H new ATOM 0 HD21 LEU A 102 -8.775 1.746 -2.455 1.00 0.25 H new ATOM 0 HD22 LEU A 102 -8.320 3.442 -2.741 1.00 0.25 H new ATOM 0 HD23 LEU A 102 -9.591 2.684 -3.728 1.00 0.25 H new ATOM 1313 N GLN A 103 -7.243 3.009 -8.833 1.00 0.18 N ATOM 1314 CA GLN A 103 -6.749 3.820 -9.974 1.00 0.23 C ATOM 1315 C GLN A 103 -7.941 4.302 -10.808 1.00 0.14 C ATOM 1316 O GLN A 103 -7.909 5.362 -11.400 1.00 0.32 O ATOM 1317 CB GLN A 103 -5.823 2.954 -10.840 1.00 0.40 C ATOM 1318 CG GLN A 103 -5.433 3.709 -12.117 1.00 0.82 C ATOM 1319 CD GLN A 103 -3.917 3.635 -12.310 1.00 0.79 C ATOM 1320 OE1 GLN A 103 -3.180 3.447 -11.363 1.00 2.14 O ATOM 1321 NE2 GLN A 103 -3.417 3.778 -13.506 1.00 1.03 N ATOM 0 H GLN A 103 -7.264 2.002 -8.991 1.00 0.18 H new ATOM 0 HA GLN A 103 -6.198 4.685 -9.605 1.00 0.23 H new ATOM 0 HB2 GLN A 103 -4.928 2.690 -10.277 1.00 0.40 H new ATOM 0 HB3 GLN A 103 -6.323 2.021 -11.099 1.00 0.40 H new ATOM 0 HG2 GLN A 103 -5.942 3.276 -12.978 1.00 0.82 H new ATOM 0 HG3 GLN A 103 -5.751 4.749 -12.049 1.00 0.82 H new ATOM 0 HE21 GLN A 103 -4.035 3.936 -14.302 1.00 1.03 H new ATOM 0 HE22 GLN A 103 -2.408 3.732 -13.646 1.00 1.03 H new ATOM 1330 N ASN A 104 -8.990 3.526 -10.868 1.00 0.23 N ATOM 1331 CA ASN A 104 -10.173 3.942 -11.677 1.00 0.15 C ATOM 1332 C ASN A 104 -11.447 3.913 -10.824 1.00 0.09 C ATOM 1333 O ASN A 104 -12.403 4.608 -11.107 1.00 0.09 O ATOM 1334 CB ASN A 104 -10.334 2.984 -12.860 1.00 0.32 C ATOM 1335 CG ASN A 104 -10.743 3.775 -14.104 1.00 0.54 C ATOM 1336 OD1 ASN A 104 -10.436 4.946 -14.221 1.00 1.04 O ATOM 1337 ND2 ASN A 104 -11.424 3.183 -15.045 1.00 1.01 N ATOM 0 H ASN A 104 -9.079 2.627 -10.395 1.00 0.23 H new ATOM 0 HA ASN A 104 -10.015 4.959 -12.036 1.00 0.15 H new ATOM 0 HB2 ASN A 104 -9.399 2.455 -13.043 1.00 0.32 H new ATOM 0 HB3 ASN A 104 -11.087 2.230 -12.631 1.00 0.32 H new ATOM 0 HD21 ASN A 104 -11.699 3.702 -15.879 1.00 1.01 H new ATOM 0 HD22 ASN A 104 -11.682 2.201 -14.947 1.00 1.01 H new ATOM 1344 N ARG A 105 -11.481 3.118 -9.789 1.00 0.09 N ATOM 1345 CA ARG A 105 -12.708 3.059 -8.942 1.00 0.04 C ATOM 1346 C ARG A 105 -13.012 4.450 -8.382 1.00 0.04 C ATOM 1347 O ARG A 105 -14.154 4.797 -8.149 1.00 0.05 O ATOM 1348 CB ARG A 105 -12.494 2.080 -7.787 1.00 0.08 C ATOM 1349 CG ARG A 105 -13.830 1.437 -7.412 1.00 0.55 C ATOM 1350 CD ARG A 105 -14.443 2.183 -6.224 1.00 1.60 C ATOM 1351 NE ARG A 105 -15.882 2.461 -6.503 1.00 2.23 N ATOM 1352 CZ ARG A 105 -16.587 3.171 -5.664 1.00 3.03 C ATOM 1353 NH1 ARG A 105 -16.588 4.473 -5.751 1.00 3.87 N ATOM 1354 NH2 ARG A 105 -17.294 2.579 -4.741 1.00 3.36 N ATOM 0 H ARG A 105 -10.717 2.510 -9.494 1.00 0.09 H new ATOM 0 HA ARG A 105 -13.547 2.720 -9.550 1.00 0.04 H new ATOM 0 HB2 ARG A 105 -11.776 1.312 -8.075 1.00 0.08 H new ATOM 0 HB3 ARG A 105 -12.075 2.602 -6.927 1.00 0.08 H new ATOM 0 HG2 ARG A 105 -14.511 1.466 -8.263 1.00 0.55 H new ATOM 0 HG3 ARG A 105 -13.681 0.387 -7.158 1.00 0.55 H new ATOM 0 HD2 ARG A 105 -14.346 1.587 -5.317 1.00 1.60 H new ATOM 0 HD3 ARG A 105 -13.908 3.117 -6.051 1.00 1.60 H new ATOM 0 HE ARG A 105 -16.316 2.096 -7.351 1.00 2.23 H new ATOM 0 HH11 ARG A 105 -16.038 4.936 -6.474 1.00 3.87 H new ATOM 0 HH12 ARG A 105 -17.139 5.028 -5.096 1.00 3.87 H new ATOM 0 HH21 ARG A 105 -17.296 1.561 -4.675 1.00 3.36 H new ATOM 0 HH22 ARG A 105 -17.845 3.134 -4.086 1.00 3.36 H new ATOM 1368 N PHE A 106 -12.006 5.250 -8.161 1.00 0.11 N ATOM 1369 CA PHE A 106 -12.255 6.613 -7.615 1.00 0.18 C ATOM 1370 C PHE A 106 -12.620 7.561 -8.762 1.00 0.23 C ATOM 1371 O PHE A 106 -11.768 8.037 -9.484 1.00 0.30 O ATOM 1372 CB PHE A 106 -10.997 7.117 -6.902 1.00 0.26 C ATOM 1373 CG PHE A 106 -11.101 6.817 -5.424 1.00 0.28 C ATOM 1374 CD1 PHE A 106 -12.247 7.189 -4.711 1.00 0.55 C ATOM 1375 CD2 PHE A 106 -10.051 6.164 -4.767 1.00 0.71 C ATOM 1376 CE1 PHE A 106 -12.342 6.910 -3.342 1.00 0.60 C ATOM 1377 CE2 PHE A 106 -10.146 5.886 -3.398 1.00 0.70 C ATOM 1378 CZ PHE A 106 -11.293 6.258 -2.686 1.00 0.37 C ATOM 0 H PHE A 106 -11.027 5.021 -8.334 1.00 0.11 H new ATOM 0 HA PHE A 106 -13.079 6.577 -6.902 1.00 0.18 H new ATOM 0 HB2 PHE A 106 -10.112 6.637 -7.320 1.00 0.26 H new ATOM 0 HB3 PHE A 106 -10.882 8.189 -7.059 1.00 0.26 H new ATOM 0 HD1 PHE A 106 -13.058 7.691 -5.217 1.00 0.55 H new ATOM 0 HD2 PHE A 106 -9.167 5.875 -5.316 1.00 0.71 H new ATOM 0 HE1 PHE A 106 -13.226 7.198 -2.792 1.00 0.60 H new ATOM 0 HE2 PHE A 106 -9.335 5.385 -2.891 1.00 0.70 H new ATOM 0 HZ PHE A 106 -11.368 6.041 -1.631 1.00 0.37 H new ATOM 1388 N GLU A 107 -13.887 7.836 -8.936 1.00 0.44 N ATOM 1389 CA GLU A 107 -14.313 8.749 -10.036 1.00 0.52 C ATOM 1390 C GLU A 107 -14.526 10.160 -9.480 1.00 0.62 C ATOM 1391 O GLU A 107 -14.489 11.134 -10.205 1.00 0.71 O ATOM 1392 CB GLU A 107 -15.620 8.240 -10.645 1.00 0.60 C ATOM 1393 CG GLU A 107 -16.069 9.194 -11.753 1.00 1.77 C ATOM 1394 CD GLU A 107 -16.517 8.387 -12.974 1.00 2.02 C ATOM 1395 OE1 GLU A 107 -17.001 7.284 -12.784 1.00 1.07 O ATOM 1396 OE2 GLU A 107 -16.366 8.885 -14.077 1.00 3.39 O ATOM 0 H GLU A 107 -14.645 7.467 -8.362 1.00 0.44 H new ATOM 0 HA GLU A 107 -13.539 8.775 -10.803 1.00 0.52 H new ATOM 0 HB2 GLU A 107 -15.480 7.237 -11.048 1.00 0.60 H new ATOM 0 HB3 GLU A 107 -16.389 8.170 -9.876 1.00 0.60 H new ATOM 0 HG2 GLU A 107 -16.887 9.820 -11.398 1.00 1.77 H new ATOM 0 HG3 GLU A 107 -15.252 9.862 -12.025 1.00 1.77 H new ATOM 1403 N SER A 108 -14.739 10.279 -8.199 1.00 0.61 N ATOM 1404 CA SER A 108 -14.941 11.629 -7.598 1.00 0.72 C ATOM 1405 C SER A 108 -13.579 12.165 -7.177 1.00 0.72 C ATOM 1406 O SER A 108 -13.257 13.321 -7.372 1.00 0.85 O ATOM 1407 CB SER A 108 -15.850 11.519 -6.374 1.00 0.73 C ATOM 1408 OG SER A 108 -17.010 12.316 -6.577 1.00 1.39 O ATOM 0 H SER A 108 -14.782 9.500 -7.542 1.00 0.61 H new ATOM 0 HA SER A 108 -15.407 12.299 -8.320 1.00 0.72 H new ATOM 0 HB2 SER A 108 -16.133 10.479 -6.209 1.00 0.73 H new ATOM 0 HB3 SER A 108 -15.319 11.850 -5.481 1.00 0.73 H new ATOM 0 HG SER A 108 -17.596 12.246 -5.795 1.00 1.39 H new ATOM 1414 N SER A 109 -12.771 11.312 -6.620 1.00 0.61 N ATOM 1415 CA SER A 109 -11.409 11.724 -6.196 1.00 0.67 C ATOM 1416 C SER A 109 -10.407 11.028 -7.112 1.00 0.52 C ATOM 1417 O SER A 109 -9.312 10.688 -6.717 1.00 0.50 O ATOM 1418 CB SER A 109 -11.173 11.286 -4.749 1.00 0.73 C ATOM 1419 OG SER A 109 -10.469 12.308 -4.056 1.00 0.78 O ATOM 0 H SER A 109 -13.000 10.335 -6.438 1.00 0.61 H new ATOM 0 HA SER A 109 -11.296 12.806 -6.259 1.00 0.67 H new ATOM 0 HB2 SER A 109 -12.125 11.088 -4.257 1.00 0.73 H new ATOM 0 HB3 SER A 109 -10.603 10.357 -4.727 1.00 0.73 H new ATOM 0 HG SER A 109 -10.318 12.030 -3.128 1.00 0.78 H new ATOM 1425 N GLU A 110 -10.799 10.795 -8.337 1.00 0.43 N ATOM 1426 CA GLU A 110 -9.910 10.095 -9.306 1.00 0.28 C ATOM 1427 C GLU A 110 -8.490 10.673 -9.264 1.00 0.26 C ATOM 1428 O GLU A 110 -7.528 9.960 -9.060 1.00 0.29 O ATOM 1429 CB GLU A 110 -10.478 10.255 -10.717 1.00 0.27 C ATOM 1430 CG GLU A 110 -9.773 9.284 -11.665 1.00 0.15 C ATOM 1431 CD GLU A 110 -10.045 9.694 -13.113 1.00 0.57 C ATOM 1432 OE1 GLU A 110 -11.075 9.300 -13.637 1.00 0.66 O ATOM 1433 OE2 GLU A 110 -9.221 10.397 -13.674 1.00 2.03 O ATOM 0 H GLU A 110 -11.709 11.064 -8.710 1.00 0.43 H new ATOM 0 HA GLU A 110 -9.863 9.040 -9.035 1.00 0.28 H new ATOM 0 HB2 GLU A 110 -11.551 10.061 -10.713 1.00 0.27 H new ATOM 0 HB3 GLU A 110 -10.341 11.280 -11.061 1.00 0.27 H new ATOM 0 HG2 GLU A 110 -8.700 9.285 -11.471 1.00 0.15 H new ATOM 0 HG3 GLU A 110 -10.127 8.268 -11.491 1.00 0.15 H new ATOM 1440 N GLU A 111 -8.348 11.953 -9.474 1.00 0.29 N ATOM 1441 CA GLU A 111 -6.989 12.567 -9.462 1.00 0.38 C ATOM 1442 C GLU A 111 -6.255 12.202 -8.169 1.00 0.38 C ATOM 1443 O GLU A 111 -5.094 11.851 -8.187 1.00 0.42 O ATOM 1444 CB GLU A 111 -7.114 14.087 -9.565 1.00 0.49 C ATOM 1445 CG GLU A 111 -6.495 14.563 -10.881 1.00 1.13 C ATOM 1446 CD GLU A 111 -6.743 16.063 -11.049 1.00 1.18 C ATOM 1447 OE1 GLU A 111 -6.619 16.775 -10.068 1.00 1.38 O ATOM 1448 OE2 GLU A 111 -7.052 16.471 -12.156 1.00 1.70 O ATOM 0 H GLU A 111 -9.115 12.601 -9.654 1.00 0.29 H new ATOM 0 HA GLU A 111 -6.422 12.187 -10.312 1.00 0.38 H new ATOM 0 HB2 GLU A 111 -8.163 14.380 -9.517 1.00 0.49 H new ATOM 0 HB3 GLU A 111 -6.612 14.562 -8.722 1.00 0.49 H new ATOM 0 HG2 GLU A 111 -5.424 14.358 -10.887 1.00 1.13 H new ATOM 0 HG3 GLU A 111 -6.929 14.016 -11.718 1.00 1.13 H new ATOM 1455 N GLN A 112 -6.917 12.287 -7.048 1.00 0.38 N ATOM 1456 CA GLN A 112 -6.244 11.949 -5.760 1.00 0.42 C ATOM 1457 C GLN A 112 -5.741 10.504 -5.807 1.00 0.41 C ATOM 1458 O GLN A 112 -4.708 10.176 -5.257 1.00 0.39 O ATOM 1459 CB GLN A 112 -7.239 12.104 -4.607 1.00 0.44 C ATOM 1460 CG GLN A 112 -7.695 13.561 -4.516 1.00 0.43 C ATOM 1461 CD GLN A 112 -6.785 14.321 -3.550 1.00 0.88 C ATOM 1462 OE1 GLN A 112 -7.138 14.538 -2.408 1.00 0.81 O ATOM 1463 NE2 GLN A 112 -5.618 14.737 -3.961 1.00 2.00 N ATOM 0 H GLN A 112 -7.892 12.575 -6.967 1.00 0.38 H new ATOM 0 HA GLN A 112 -5.400 12.622 -5.606 1.00 0.42 H new ATOM 0 HB2 GLN A 112 -8.098 11.452 -4.765 1.00 0.44 H new ATOM 0 HB3 GLN A 112 -6.775 11.798 -3.669 1.00 0.44 H new ATOM 0 HG2 GLN A 112 -7.665 14.025 -5.502 1.00 0.43 H new ATOM 0 HG3 GLN A 112 -8.728 13.609 -4.173 1.00 0.43 H new ATOM 0 HE21 GLN A 112 -5.320 14.555 -4.920 1.00 2.00 H new ATOM 0 HE22 GLN A 112 -5.004 15.244 -3.324 1.00 2.00 H new ATOM 1472 N ALA A 113 -6.466 9.642 -6.459 1.00 0.44 N ATOM 1473 CA ALA A 113 -6.045 8.217 -6.548 1.00 0.43 C ATOM 1474 C ALA A 113 -4.799 8.103 -7.433 1.00 0.40 C ATOM 1475 O ALA A 113 -3.945 7.263 -7.219 1.00 0.39 O ATOM 1476 CB ALA A 113 -7.180 7.402 -7.166 1.00 0.38 C ATOM 0 H ALA A 113 -7.339 9.864 -6.938 1.00 0.44 H new ATOM 0 HA ALA A 113 -5.815 7.839 -5.552 1.00 0.43 H new ATOM 0 HB1 ALA A 113 -6.881 6.356 -7.235 1.00 0.38 H new ATOM 0 HB2 ALA A 113 -8.069 7.484 -6.541 1.00 0.38 H new ATOM 0 HB3 ALA A 113 -7.401 7.783 -8.163 1.00 0.38 H new ATOM 1482 N ARG A 114 -4.695 8.939 -8.431 1.00 0.39 N ATOM 1483 CA ARG A 114 -3.518 8.881 -9.345 1.00 0.38 C ATOM 1484 C ARG A 114 -2.287 9.493 -8.668 1.00 0.49 C ATOM 1485 O ARG A 114 -1.164 9.143 -8.973 1.00 0.52 O ATOM 1486 CB ARG A 114 -3.833 9.670 -10.618 1.00 0.35 C ATOM 1487 CG ARG A 114 -3.511 8.815 -11.845 1.00 0.50 C ATOM 1488 CD ARG A 114 -4.398 9.246 -13.014 1.00 0.64 C ATOM 1489 NE ARG A 114 -3.554 9.845 -14.087 1.00 0.57 N ATOM 1490 CZ ARG A 114 -3.534 9.308 -15.276 1.00 0.58 C ATOM 1491 NH1 ARG A 114 -4.653 9.083 -15.909 1.00 1.33 N ATOM 1492 NH2 ARG A 114 -2.396 8.995 -15.832 1.00 0.96 N ATOM 0 H ARG A 114 -5.378 9.663 -8.653 1.00 0.39 H new ATOM 0 HA ARG A 114 -3.309 7.839 -9.588 1.00 0.38 H new ATOM 0 HB2 ARG A 114 -4.884 9.958 -10.629 1.00 0.35 H new ATOM 0 HB3 ARG A 114 -3.250 10.591 -10.641 1.00 0.35 H new ATOM 0 HG2 ARG A 114 -2.460 8.925 -12.112 1.00 0.50 H new ATOM 0 HG3 ARG A 114 -3.674 7.761 -11.620 1.00 0.50 H new ATOM 0 HD2 ARG A 114 -4.945 8.388 -13.404 1.00 0.64 H new ATOM 0 HD3 ARG A 114 -5.139 9.969 -12.674 1.00 0.64 H new ATOM 0 HE ARG A 114 -2.993 10.674 -13.892 1.00 0.57 H new ATOM 0 HH11 ARG A 114 -5.543 9.327 -15.474 1.00 1.33 H new ATOM 0 HH12 ARG A 114 -4.638 8.663 -16.838 1.00 1.33 H new ATOM 0 HH21 ARG A 114 -1.521 9.170 -15.337 1.00 0.96 H new ATOM 0 HH22 ARG A 114 -2.381 8.575 -16.761 1.00 0.96 H new ATOM 1506 N ALA A 115 -2.484 10.408 -7.760 1.00 0.57 N ATOM 1507 CA ALA A 115 -1.321 11.045 -7.082 1.00 0.68 C ATOM 1508 C ALA A 115 -0.838 10.158 -5.934 1.00 0.50 C ATOM 1509 O ALA A 115 0.300 10.233 -5.517 1.00 0.47 O ATOM 1510 CB ALA A 115 -1.739 12.406 -6.526 1.00 0.97 C ATOM 0 H ALA A 115 -3.399 10.742 -7.458 1.00 0.57 H new ATOM 0 HA ALA A 115 -0.514 11.173 -7.803 1.00 0.68 H new ATOM 0 HB1 ALA A 115 -0.888 12.873 -6.030 1.00 0.97 H new ATOM 0 HB2 ALA A 115 -2.078 13.044 -7.342 1.00 0.97 H new ATOM 0 HB3 ALA A 115 -2.549 12.273 -5.809 1.00 0.97 H new ATOM 1516 N VAL A 116 -1.694 9.324 -5.413 1.00 0.45 N ATOM 1517 CA VAL A 116 -1.277 8.447 -4.286 1.00 0.43 C ATOM 1518 C VAL A 116 -0.687 7.138 -4.829 1.00 0.35 C ATOM 1519 O VAL A 116 0.097 6.483 -4.173 1.00 0.55 O ATOM 1520 CB VAL A 116 -2.492 8.136 -3.403 1.00 0.67 C ATOM 1521 CG1 VAL A 116 -3.498 7.280 -4.174 1.00 0.84 C ATOM 1522 CG2 VAL A 116 -2.029 7.377 -2.157 1.00 0.45 C ATOM 0 H VAL A 116 -2.661 9.212 -5.718 1.00 0.45 H new ATOM 0 HA VAL A 116 -0.518 8.961 -3.695 1.00 0.43 H new ATOM 0 HB VAL A 116 -2.971 9.071 -3.112 1.00 0.67 H new ATOM 0 HG11 VAL A 116 -4.356 7.065 -3.537 1.00 0.84 H new ATOM 0 HG12 VAL A 116 -3.830 7.819 -5.061 1.00 0.84 H new ATOM 0 HG13 VAL A 116 -3.026 6.345 -4.474 1.00 0.84 H new ATOM 0 HG21 VAL A 116 -2.889 7.154 -1.526 1.00 0.45 H new ATOM 0 HG22 VAL A 116 -1.547 6.446 -2.456 1.00 0.45 H new ATOM 0 HG23 VAL A 116 -1.320 7.990 -1.600 1.00 0.45 H new ATOM 1532 N GLN A 117 -1.078 6.741 -6.010 1.00 0.35 N ATOM 1533 CA GLN A 117 -0.555 5.461 -6.571 1.00 0.50 C ATOM 1534 C GLN A 117 0.714 5.697 -7.397 1.00 0.44 C ATOM 1535 O GLN A 117 1.701 5.009 -7.231 1.00 0.54 O ATOM 1536 CB GLN A 117 -1.622 4.796 -7.446 1.00 0.75 C ATOM 1537 CG GLN A 117 -2.006 5.713 -8.609 1.00 1.72 C ATOM 1538 CD GLN A 117 -3.429 5.391 -9.061 1.00 2.68 C ATOM 1539 OE1 GLN A 117 -4.224 4.890 -8.292 1.00 3.42 O ATOM 1540 NE2 GLN A 117 -3.785 5.660 -10.284 1.00 3.38 N ATOM 0 H GLN A 117 -1.733 7.244 -6.608 1.00 0.35 H new ATOM 0 HA GLN A 117 -0.306 4.805 -5.737 1.00 0.50 H new ATOM 0 HB2 GLN A 117 -1.246 3.848 -7.831 1.00 0.75 H new ATOM 0 HB3 GLN A 117 -2.504 4.570 -6.846 1.00 0.75 H new ATOM 0 HG2 GLN A 117 -1.938 6.756 -8.302 1.00 1.72 H new ATOM 0 HG3 GLN A 117 -1.310 5.579 -9.437 1.00 1.72 H new ATOM 0 HE21 GLN A 117 -3.116 6.081 -10.929 1.00 3.38 H new ATOM 0 HE22 GLN A 117 -4.733 5.450 -10.597 1.00 3.38 H new ATOM 1549 N MET A 118 0.705 6.648 -8.293 1.00 0.49 N ATOM 1550 CA MET A 118 1.921 6.895 -9.120 1.00 0.77 C ATOM 1551 C MET A 118 3.097 7.226 -8.203 1.00 0.58 C ATOM 1552 O MET A 118 4.237 6.948 -8.516 1.00 0.53 O ATOM 1553 CB MET A 118 1.668 8.069 -10.067 1.00 1.10 C ATOM 1554 CG MET A 118 0.485 7.745 -10.981 1.00 1.24 C ATOM 1555 SD MET A 118 0.962 6.447 -12.149 1.00 2.86 S ATOM 1556 CE MET A 118 -0.550 5.461 -12.023 1.00 4.76 C ATOM 0 H MET A 118 -0.087 7.261 -8.487 1.00 0.49 H new ATOM 0 HA MET A 118 2.151 6.003 -9.703 1.00 0.77 H new ATOM 0 HB2 MET A 118 1.461 8.973 -9.494 1.00 1.10 H new ATOM 0 HB3 MET A 118 2.558 8.266 -10.664 1.00 1.10 H new ATOM 0 HG2 MET A 118 -0.369 7.419 -10.387 1.00 1.24 H new ATOM 0 HG3 MET A 118 0.174 8.639 -11.522 1.00 1.24 H new ATOM 0 HE1 MET A 118 -0.703 4.909 -12.950 1.00 4.76 H new ATOM 0 HE2 MET A 118 -0.459 4.759 -11.194 1.00 4.76 H new ATOM 0 HE3 MET A 118 -1.401 6.120 -11.849 1.00 4.76 H new ATOM 1566 N SER A 119 2.829 7.821 -7.075 1.00 0.51 N ATOM 1567 CA SER A 119 3.935 8.169 -6.142 1.00 0.44 C ATOM 1568 C SER A 119 4.462 6.893 -5.475 1.00 0.28 C ATOM 1569 O SER A 119 5.648 6.637 -5.470 1.00 0.32 O ATOM 1570 CB SER A 119 3.423 9.144 -5.080 1.00 0.58 C ATOM 1571 OG SER A 119 3.422 10.461 -5.616 1.00 1.44 O ATOM 0 H SER A 119 1.894 8.081 -6.760 1.00 0.51 H new ATOM 0 HA SER A 119 4.745 8.642 -6.696 1.00 0.44 H new ATOM 0 HB2 SER A 119 2.417 8.865 -4.768 1.00 0.58 H new ATOM 0 HB3 SER A 119 4.056 9.100 -4.193 1.00 0.58 H new ATOM 0 HG SER A 119 2.498 10.769 -5.724 1.00 1.44 H new ATOM 1577 N THR A 120 3.599 6.085 -4.910 1.00 0.36 N ATOM 1578 CA THR A 120 4.088 4.834 -4.256 1.00 0.62 C ATOM 1579 C THR A 120 4.713 3.919 -5.314 1.00 0.57 C ATOM 1580 O THR A 120 5.480 3.030 -5.002 1.00 0.66 O ATOM 1581 CB THR A 120 2.934 4.105 -3.555 1.00 1.01 C ATOM 1582 OG1 THR A 120 3.406 2.866 -3.043 1.00 2.46 O ATOM 1583 CG2 THR A 120 1.803 3.845 -4.546 1.00 0.74 C ATOM 0 H THR A 120 2.591 6.235 -4.873 1.00 0.36 H new ATOM 0 HA THR A 120 4.836 5.096 -3.508 1.00 0.62 H new ATOM 0 HB THR A 120 2.559 4.724 -2.740 1.00 1.01 H new ATOM 0 HG1 THR A 120 2.650 2.342 -2.707 1.00 2.46 H new ATOM 0 HG21 THR A 120 0.988 3.327 -4.040 1.00 0.74 H new ATOM 0 HG22 THR A 120 1.440 4.794 -4.941 1.00 0.74 H new ATOM 0 HG23 THR A 120 2.172 3.228 -5.365 1.00 0.74 H new ATOM 1591 N LYS A 121 4.419 4.148 -6.567 1.00 0.58 N ATOM 1592 CA LYS A 121 5.028 3.314 -7.638 1.00 0.80 C ATOM 1593 C LYS A 121 6.388 3.932 -7.971 1.00 0.65 C ATOM 1594 O LYS A 121 7.319 3.260 -8.364 1.00 0.72 O ATOM 1595 CB LYS A 121 4.127 3.323 -8.879 1.00 1.11 C ATOM 1596 CG LYS A 121 4.824 2.602 -10.037 1.00 1.21 C ATOM 1597 CD LYS A 121 4.767 1.090 -9.816 1.00 2.05 C ATOM 1598 CE LYS A 121 6.069 0.456 -10.309 1.00 3.25 C ATOM 1599 NZ LYS A 121 5.812 -0.956 -10.710 1.00 4.18 N ATOM 0 H LYS A 121 3.784 4.877 -6.892 1.00 0.58 H new ATOM 0 HA LYS A 121 5.143 2.281 -7.311 1.00 0.80 H new ATOM 0 HB2 LYS A 121 3.179 2.835 -8.654 1.00 1.11 H new ATOM 0 HB3 LYS A 121 3.897 4.350 -9.164 1.00 1.11 H new ATOM 0 HG2 LYS A 121 4.342 2.859 -10.980 1.00 1.21 H new ATOM 0 HG3 LYS A 121 5.861 2.929 -10.109 1.00 1.21 H new ATOM 0 HD2 LYS A 121 4.620 0.871 -8.758 1.00 2.05 H new ATOM 0 HD3 LYS A 121 3.917 0.665 -10.350 1.00 2.05 H new ATOM 0 HE2 LYS A 121 6.463 1.020 -11.155 1.00 3.25 H new ATOM 0 HE3 LYS A 121 6.824 0.491 -9.523 1.00 3.25 H new ATOM 0 HZ1 LYS A 121 6.706 -1.487 -10.702 1.00 4.18 H new ATOM 0 HZ2 LYS A 121 5.145 -1.391 -10.041 1.00 4.18 H new ATOM 0 HZ3 LYS A 121 5.405 -0.977 -11.667 1.00 4.18 H new ATOM 1613 N VAL A 122 6.510 5.215 -7.780 1.00 0.56 N ATOM 1614 CA VAL A 122 7.805 5.888 -8.036 1.00 0.70 C ATOM 1615 C VAL A 122 8.749 5.580 -6.868 1.00 0.38 C ATOM 1616 O VAL A 122 9.944 5.769 -6.956 1.00 0.33 O ATOM 1617 CB VAL A 122 7.571 7.395 -8.121 1.00 0.98 C ATOM 1618 CG1 VAL A 122 8.906 8.119 -8.290 1.00 1.26 C ATOM 1619 CG2 VAL A 122 6.676 7.693 -9.321 1.00 1.27 C ATOM 0 H VAL A 122 5.761 5.827 -7.455 1.00 0.56 H new ATOM 0 HA VAL A 122 8.242 5.536 -8.970 1.00 0.70 H new ATOM 0 HB VAL A 122 7.091 7.741 -7.205 1.00 0.98 H new ATOM 0 HG11 VAL A 122 8.732 9.193 -8.350 1.00 1.26 H new ATOM 0 HG12 VAL A 122 9.548 7.902 -7.436 1.00 1.26 H new ATOM 0 HG13 VAL A 122 9.391 7.778 -9.205 1.00 1.26 H new ATOM 0 HG21 VAL A 122 6.504 8.767 -9.389 1.00 1.27 H new ATOM 0 HG22 VAL A 122 7.162 7.345 -10.233 1.00 1.27 H new ATOM 0 HG23 VAL A 122 5.722 7.180 -9.200 1.00 1.27 H new ATOM 1629 N LEU A 123 8.213 5.105 -5.772 1.00 0.22 N ATOM 1630 CA LEU A 123 9.061 4.778 -4.595 1.00 0.27 C ATOM 1631 C LEU A 123 9.532 3.334 -4.738 1.00 0.35 C ATOM 1632 O LEU A 123 10.691 3.021 -4.570 1.00 0.46 O ATOM 1633 CB LEU A 123 8.224 4.930 -3.321 1.00 0.56 C ATOM 1634 CG LEU A 123 8.293 6.375 -2.787 1.00 0.85 C ATOM 1635 CD1 LEU A 123 8.222 7.396 -3.935 1.00 2.41 C ATOM 1636 CD2 LEU A 123 7.113 6.609 -1.843 1.00 1.23 C ATOM 0 H LEU A 123 7.216 4.930 -5.645 1.00 0.22 H new ATOM 0 HA LEU A 123 9.921 5.446 -4.538 1.00 0.27 H new ATOM 0 HB2 LEU A 123 7.188 4.664 -3.528 1.00 0.56 H new ATOM 0 HB3 LEU A 123 8.585 4.239 -2.559 1.00 0.56 H new ATOM 0 HG LEU A 123 9.241 6.507 -2.265 1.00 0.85 H new ATOM 0 HD11 LEU A 123 8.273 8.406 -3.528 1.00 2.41 H new ATOM 0 HD12 LEU A 123 9.058 7.237 -4.616 1.00 2.41 H new ATOM 0 HD13 LEU A 123 7.284 7.270 -4.476 1.00 2.41 H new ATOM 0 HD21 LEU A 123 7.151 7.628 -1.459 1.00 1.23 H new ATOM 0 HD22 LEU A 123 6.179 6.460 -2.384 1.00 1.23 H new ATOM 0 HD23 LEU A 123 7.167 5.906 -1.012 1.00 1.23 H new ATOM 1648 N ILE A 124 8.627 2.461 -5.077 1.00 0.76 N ATOM 1649 CA ILE A 124 8.978 1.034 -5.278 1.00 1.09 C ATOM 1650 C ILE A 124 10.079 0.966 -6.336 1.00 1.02 C ATOM 1651 O ILE A 124 11.005 0.183 -6.248 1.00 1.07 O ATOM 1652 CB ILE A 124 7.728 0.287 -5.766 1.00 1.38 C ATOM 1653 CG1 ILE A 124 8.097 -1.163 -6.143 1.00 1.95 C ATOM 1654 CG2 ILE A 124 7.131 1.023 -6.960 1.00 1.82 C ATOM 1655 CD1 ILE A 124 8.347 -1.283 -7.654 1.00 2.96 C ATOM 0 H ILE A 124 7.642 2.683 -5.225 1.00 0.76 H new ATOM 0 HA ILE A 124 9.328 0.577 -4.352 1.00 1.09 H new ATOM 0 HB ILE A 124 6.985 0.254 -4.969 1.00 1.38 H new ATOM 0 HG12 ILE A 124 8.988 -1.471 -5.596 1.00 1.95 H new ATOM 0 HG13 ILE A 124 7.293 -1.837 -5.847 1.00 1.95 H new ATOM 0 HG21 ILE A 124 6.244 0.494 -7.307 1.00 1.82 H new ATOM 0 HG22 ILE A 124 6.857 2.035 -6.663 1.00 1.82 H new ATOM 0 HG23 ILE A 124 7.865 1.067 -7.764 1.00 1.82 H new ATOM 0 HD11 ILE A 124 8.606 -2.313 -7.899 1.00 2.96 H new ATOM 0 HD12 ILE A 124 7.446 -0.996 -8.196 1.00 2.96 H new ATOM 0 HD13 ILE A 124 9.167 -0.625 -7.940 1.00 2.96 H new ATOM 1667 N GLN A 125 9.987 1.804 -7.330 1.00 0.96 N ATOM 1668 CA GLN A 125 11.014 1.826 -8.391 1.00 0.98 C ATOM 1669 C GLN A 125 12.228 2.607 -7.883 1.00 0.71 C ATOM 1670 O GLN A 125 13.360 2.249 -8.139 1.00 0.66 O ATOM 1671 CB GLN A 125 10.428 2.516 -9.618 1.00 1.13 C ATOM 1672 CG GLN A 125 9.820 1.466 -10.552 1.00 1.47 C ATOM 1673 CD GLN A 125 10.158 1.817 -12.003 1.00 1.67 C ATOM 1674 OE1 GLN A 125 11.130 2.499 -12.263 1.00 1.70 O ATOM 1675 NE2 GLN A 125 9.393 1.379 -12.965 1.00 2.31 N ATOM 0 H GLN A 125 9.232 2.480 -7.448 1.00 0.96 H new ATOM 0 HA GLN A 125 11.320 0.813 -8.653 1.00 0.98 H new ATOM 0 HB2 GLN A 125 9.666 3.234 -9.315 1.00 1.13 H new ATOM 0 HB3 GLN A 125 11.204 3.076 -10.139 1.00 1.13 H new ATOM 0 HG2 GLN A 125 10.207 0.477 -10.306 1.00 1.47 H new ATOM 0 HG3 GLN A 125 8.739 1.427 -10.418 1.00 1.47 H new ATOM 0 HE21 GLN A 125 8.577 0.807 -12.747 1.00 2.31 H new ATOM 0 HE22 GLN A 125 9.611 1.609 -13.935 1.00 2.31 H new ATOM 1684 N PHE A 126 11.998 3.666 -7.148 1.00 0.54 N ATOM 1685 CA PHE A 126 13.140 4.459 -6.607 1.00 0.31 C ATOM 1686 C PHE A 126 14.048 3.527 -5.801 1.00 0.15 C ATOM 1687 O PHE A 126 15.233 3.758 -5.664 1.00 0.12 O ATOM 1688 CB PHE A 126 12.606 5.564 -5.686 1.00 0.32 C ATOM 1689 CG PHE A 126 12.501 6.881 -6.432 1.00 0.34 C ATOM 1690 CD1 PHE A 126 12.199 6.903 -7.800 1.00 0.24 C ATOM 1691 CD2 PHE A 126 12.703 8.084 -5.743 1.00 0.58 C ATOM 1692 CE1 PHE A 126 12.102 8.124 -8.478 1.00 0.22 C ATOM 1693 CE2 PHE A 126 12.605 9.305 -6.422 1.00 0.62 C ATOM 1694 CZ PHE A 126 12.305 9.325 -7.788 1.00 0.39 C ATOM 0 H PHE A 126 11.071 4.014 -6.901 1.00 0.54 H new ATOM 0 HA PHE A 126 13.698 4.910 -7.427 1.00 0.31 H new ATOM 0 HB2 PHE A 126 11.627 5.280 -5.300 1.00 0.32 H new ATOM 0 HB3 PHE A 126 13.267 5.679 -4.827 1.00 0.32 H new ATOM 0 HD1 PHE A 126 12.041 5.977 -8.332 1.00 0.24 H new ATOM 0 HD2 PHE A 126 12.934 8.070 -4.688 1.00 0.58 H new ATOM 0 HE1 PHE A 126 11.871 8.139 -9.533 1.00 0.22 H new ATOM 0 HE2 PHE A 126 12.761 10.232 -5.890 1.00 0.62 H new ATOM 0 HZ PHE A 126 12.230 10.267 -8.311 1.00 0.39 H new ATOM 1704 N LEU A 127 13.493 2.466 -5.275 1.00 0.33 N ATOM 1705 CA LEU A 127 14.310 1.504 -4.486 1.00 0.45 C ATOM 1706 C LEU A 127 14.906 0.472 -5.439 1.00 0.37 C ATOM 1707 O LEU A 127 16.012 0.004 -5.255 1.00 0.49 O ATOM 1708 CB LEU A 127 13.418 0.792 -3.464 1.00 0.67 C ATOM 1709 CG LEU A 127 13.341 1.614 -2.177 1.00 0.67 C ATOM 1710 CD1 LEU A 127 12.454 0.891 -1.162 1.00 0.92 C ATOM 1711 CD2 LEU A 127 14.746 1.784 -1.591 1.00 1.23 C ATOM 0 H LEU A 127 12.505 2.226 -5.360 1.00 0.33 H new ATOM 0 HA LEU A 127 15.105 2.035 -3.963 1.00 0.45 H new ATOM 0 HB2 LEU A 127 12.419 0.651 -3.876 1.00 0.67 H new ATOM 0 HB3 LEU A 127 13.816 -0.200 -3.249 1.00 0.67 H new ATOM 0 HG LEU A 127 12.919 2.594 -2.400 1.00 0.67 H new ATOM 0 HD11 LEU A 127 12.399 1.477 -0.244 1.00 0.92 H new ATOM 0 HD12 LEU A 127 11.453 0.769 -1.575 1.00 0.92 H new ATOM 0 HD13 LEU A 127 12.877 -0.089 -0.942 1.00 0.92 H new ATOM 0 HD21 LEU A 127 14.689 2.370 -0.674 1.00 1.23 H new ATOM 0 HD22 LEU A 127 15.169 0.804 -1.370 1.00 1.23 H new ATOM 0 HD23 LEU A 127 15.381 2.299 -2.312 1.00 1.23 H new ATOM 1723 N GLN A 128 14.179 0.117 -6.465 1.00 0.21 N ATOM 1724 CA GLN A 128 14.695 -0.881 -7.443 1.00 0.23 C ATOM 1725 C GLN A 128 16.094 -0.464 -7.905 1.00 0.26 C ATOM 1726 O GLN A 128 17.003 -1.266 -7.972 1.00 0.31 O ATOM 1727 CB GLN A 128 13.758 -0.934 -8.654 1.00 0.29 C ATOM 1728 CG GLN A 128 12.492 -1.714 -8.295 1.00 0.60 C ATOM 1729 CD GLN A 128 12.359 -2.920 -9.227 1.00 0.53 C ATOM 1730 OE1 GLN A 128 13.076 -3.891 -9.088 1.00 1.76 O ATOM 1731 NE2 GLN A 128 11.466 -2.899 -10.179 1.00 0.59 N ATOM 0 H GLN A 128 13.247 0.478 -6.667 1.00 0.21 H new ATOM 0 HA GLN A 128 14.743 -1.863 -6.972 1.00 0.23 H new ATOM 0 HB2 GLN A 128 13.497 0.077 -8.968 1.00 0.29 H new ATOM 0 HB3 GLN A 128 14.263 -1.409 -9.495 1.00 0.29 H new ATOM 0 HG2 GLN A 128 12.537 -2.045 -7.257 1.00 0.60 H new ATOM 0 HG3 GLN A 128 11.617 -1.071 -8.387 1.00 0.60 H new ATOM 0 HE21 GLN A 128 10.864 -2.084 -10.296 1.00 0.59 H new ATOM 0 HE22 GLN A 128 11.370 -3.698 -10.806 1.00 0.59 H new ATOM 1740 N LYS A 129 16.270 0.791 -8.215 1.00 0.28 N ATOM 1741 CA LYS A 129 17.608 1.267 -8.664 1.00 0.36 C ATOM 1742 C LYS A 129 18.414 1.724 -7.447 1.00 0.23 C ATOM 1743 O LYS A 129 19.626 1.633 -7.422 1.00 0.24 O ATOM 1744 CB LYS A 129 17.439 2.446 -9.628 1.00 0.51 C ATOM 1745 CG LYS A 129 16.400 2.103 -10.697 1.00 0.64 C ATOM 1746 CD LYS A 129 15.808 3.395 -11.262 1.00 0.41 C ATOM 1747 CE LYS A 129 14.928 3.068 -12.469 1.00 1.47 C ATOM 1748 NZ LYS A 129 15.785 2.731 -13.643 1.00 2.15 N ATOM 0 H LYS A 129 15.545 1.507 -8.177 1.00 0.28 H new ATOM 0 HA LYS A 129 18.130 0.456 -9.171 1.00 0.36 H new ATOM 0 HB2 LYS A 129 17.128 3.334 -9.078 1.00 0.51 H new ATOM 0 HB3 LYS A 129 18.393 2.681 -10.099 1.00 0.51 H new ATOM 0 HG2 LYS A 129 16.861 1.522 -11.495 1.00 0.64 H new ATOM 0 HG3 LYS A 129 15.611 1.485 -10.268 1.00 0.64 H new ATOM 0 HD2 LYS A 129 15.221 3.903 -10.497 1.00 0.41 H new ATOM 0 HD3 LYS A 129 16.607 4.076 -11.555 1.00 0.41 H new ATOM 0 HE2 LYS A 129 14.270 2.231 -12.235 1.00 1.47 H new ATOM 0 HE3 LYS A 129 14.289 3.919 -12.706 1.00 1.47 H new ATOM 0 HZ1 LYS A 129 15.216 2.775 -14.512 1.00 2.15 H new ATOM 0 HZ2 LYS A 129 16.569 3.411 -13.707 1.00 2.15 H new ATOM 0 HZ3 LYS A 129 16.168 1.771 -13.529 1.00 2.15 H new ATOM 1762 N LYS A 130 17.750 2.219 -6.435 1.00 0.30 N ATOM 1763 CA LYS A 130 18.480 2.685 -5.223 1.00 0.28 C ATOM 1764 C LYS A 130 18.634 1.536 -4.228 1.00 0.32 C ATOM 1765 O LYS A 130 18.931 1.748 -3.069 1.00 0.39 O ATOM 1766 CB LYS A 130 17.702 3.826 -4.564 1.00 0.44 C ATOM 1767 CG LYS A 130 18.549 4.447 -3.450 1.00 0.95 C ATOM 1768 CD LYS A 130 17.958 4.072 -2.087 1.00 0.70 C ATOM 1769 CE LYS A 130 19.081 3.632 -1.144 1.00 1.44 C ATOM 1770 NZ LYS A 130 18.732 2.320 -0.525 1.00 1.51 N ATOM 0 H LYS A 130 16.736 2.320 -6.397 1.00 0.30 H new ATOM 0 HA LYS A 130 19.469 3.037 -5.518 1.00 0.28 H new ATOM 0 HB2 LYS A 130 17.447 4.583 -5.306 1.00 0.44 H new ATOM 0 HB3 LYS A 130 16.763 3.452 -4.156 1.00 0.44 H new ATOM 0 HG2 LYS A 130 19.578 4.094 -3.521 1.00 0.95 H new ATOM 0 HG3 LYS A 130 18.576 5.531 -3.561 1.00 0.95 H new ATOM 0 HD2 LYS A 130 17.426 4.924 -1.663 1.00 0.70 H new ATOM 0 HD3 LYS A 130 17.231 3.268 -2.203 1.00 0.70 H new ATOM 0 HE2 LYS A 130 20.019 3.548 -1.694 1.00 1.44 H new ATOM 0 HE3 LYS A 130 19.233 4.382 -0.368 1.00 1.44 H new ATOM 0 HZ1 LYS A 130 19.472 2.048 0.153 1.00 1.51 H new ATOM 0 HZ2 LYS A 130 17.821 2.401 -0.029 1.00 1.51 H new ATOM 0 HZ3 LYS A 130 18.659 1.595 -1.267 1.00 1.51 H new ATOM 1784 N ALA A 131 18.451 0.317 -4.661 1.00 0.33 N ATOM 1785 CA ALA A 131 18.610 -0.829 -3.722 1.00 0.41 C ATOM 1786 C ALA A 131 20.076 -1.274 -3.713 1.00 0.43 C ATOM 1787 O ALA A 131 20.375 -2.451 -3.770 1.00 0.62 O ATOM 1788 CB ALA A 131 17.724 -1.997 -4.167 1.00 0.48 C ATOM 0 H ALA A 131 18.200 0.067 -5.618 1.00 0.33 H new ATOM 0 HA ALA A 131 18.312 -0.518 -2.720 1.00 0.41 H new ATOM 0 HB1 ALA A 131 17.846 -2.830 -3.475 1.00 0.48 H new ATOM 0 HB2 ALA A 131 16.681 -1.681 -4.173 1.00 0.48 H new ATOM 0 HB3 ALA A 131 18.014 -2.312 -5.169 1.00 0.48 H new ATOM 1794 N LYS A 132 20.998 -0.343 -3.639 1.00 0.31 N ATOM 1795 CA LYS A 132 22.444 -0.718 -3.623 1.00 0.35 C ATOM 1796 C LYS A 132 22.675 -1.801 -2.568 1.00 0.37 C ATOM 1797 O LYS A 132 21.976 -1.870 -1.576 1.00 0.37 O ATOM 1798 CB LYS A 132 23.291 0.513 -3.289 1.00 0.38 C ATOM 1799 CG LYS A 132 22.700 1.230 -2.073 1.00 0.44 C ATOM 1800 CD LYS A 132 23.671 1.123 -0.896 1.00 1.27 C ATOM 1801 CE LYS A 132 22.894 1.229 0.416 1.00 1.35 C ATOM 1802 NZ LYS A 132 23.102 -0.011 1.217 1.00 2.93 N ATOM 0 H LYS A 132 20.810 0.658 -3.589 1.00 0.31 H new ATOM 0 HA LYS A 132 22.732 -1.097 -4.603 1.00 0.35 H new ATOM 0 HB2 LYS A 132 24.319 0.214 -3.083 1.00 0.38 H new ATOM 0 HB3 LYS A 132 23.320 1.189 -4.143 1.00 0.38 H new ATOM 0 HG2 LYS A 132 22.513 2.277 -2.310 1.00 0.44 H new ATOM 0 HG3 LYS A 132 21.740 0.787 -1.808 1.00 0.44 H new ATOM 0 HD2 LYS A 132 24.207 0.175 -0.938 1.00 1.27 H new ATOM 0 HD3 LYS A 132 24.418 1.915 -0.954 1.00 1.27 H new ATOM 0 HE2 LYS A 132 23.228 2.100 0.980 1.00 1.35 H new ATOM 0 HE3 LYS A 132 21.832 1.370 0.212 1.00 1.35 H new ATOM 0 HZ1 LYS A 132 22.574 0.060 2.110 1.00 2.93 H new ATOM 0 HZ2 LYS A 132 22.763 -0.833 0.678 1.00 2.93 H new ATOM 0 HZ3 LYS A 132 24.115 -0.126 1.422 1.00 2.93 H new ATOM 1816 N ASN A 133 23.635 -2.660 -2.777 1.00 0.51 N ATOM 1817 CA ASN A 133 23.881 -3.746 -1.787 1.00 0.52 C ATOM 1818 C ASN A 133 22.586 -4.531 -1.600 1.00 0.53 C ATOM 1819 O ASN A 133 22.233 -4.937 -0.511 1.00 0.51 O ATOM 1820 CB ASN A 133 24.316 -3.140 -0.450 1.00 0.49 C ATOM 1821 CG ASN A 133 25.573 -3.852 0.052 1.00 0.75 C ATOM 1822 OD1 ASN A 133 26.500 -3.217 0.513 1.00 1.67 O ATOM 1823 ND2 ASN A 133 25.645 -5.154 -0.016 1.00 1.40 N ATOM 0 H ASN A 133 24.256 -2.657 -3.586 1.00 0.51 H new ATOM 0 HA ASN A 133 24.671 -4.406 -2.146 1.00 0.52 H new ATOM 0 HB2 ASN A 133 24.513 -2.075 -0.569 1.00 0.49 H new ATOM 0 HB3 ASN A 133 23.514 -3.236 0.282 1.00 0.49 H new ATOM 0 HD21 ASN A 133 26.479 -5.637 0.318 1.00 1.40 H new ATOM 0 HD22 ASN A 133 24.867 -5.688 -0.403 1.00 1.40 H new ATOM 1830 N LEU A 134 21.877 -4.734 -2.672 1.00 0.64 N ATOM 1831 CA LEU A 134 20.592 -5.480 -2.599 1.00 0.77 C ATOM 1832 C LEU A 134 20.158 -5.877 -4.011 1.00 0.82 C ATOM 1833 O LEU A 134 20.911 -5.743 -4.954 1.00 0.85 O ATOM 1834 CB LEU A 134 19.518 -4.593 -1.966 1.00 0.71 C ATOM 1835 CG LEU A 134 19.263 -5.050 -0.529 1.00 0.99 C ATOM 1836 CD1 LEU A 134 19.076 -3.828 0.370 1.00 0.38 C ATOM 1837 CD2 LEU A 134 17.999 -5.913 -0.485 1.00 1.64 C ATOM 0 H LEU A 134 22.135 -4.412 -3.605 1.00 0.64 H new ATOM 0 HA LEU A 134 20.725 -6.375 -1.991 1.00 0.77 H new ATOM 0 HB2 LEU A 134 19.839 -3.551 -1.976 1.00 0.71 H new ATOM 0 HB3 LEU A 134 18.597 -4.649 -2.546 1.00 0.71 H new ATOM 0 HG LEU A 134 20.114 -5.633 -0.177 1.00 0.99 H new ATOM 0 HD11 LEU A 134 18.894 -4.154 1.394 1.00 0.38 H new ATOM 0 HD12 LEU A 134 19.975 -3.213 0.339 1.00 0.38 H new ATOM 0 HD13 LEU A 134 18.225 -3.245 0.019 1.00 0.38 H new ATOM 0 HD21 LEU A 134 17.817 -6.239 0.539 1.00 1.64 H new ATOM 0 HD22 LEU A 134 17.148 -5.330 -0.837 1.00 1.64 H new ATOM 0 HD23 LEU A 134 18.131 -6.785 -1.125 1.00 1.64 H new ATOM 1849 N ASP A 135 18.942 -6.355 -4.147 1.00 0.94 N ATOM 1850 CA ASP A 135 18.394 -6.782 -5.481 1.00 1.01 C ATOM 1851 C ASP A 135 17.335 -7.862 -5.251 1.00 1.34 C ATOM 1852 O ASP A 135 17.495 -8.995 -5.659 1.00 2.24 O ATOM 1853 CB ASP A 135 19.495 -7.371 -6.378 1.00 2.31 C ATOM 1854 CG ASP A 135 19.955 -6.313 -7.383 1.00 2.93 C ATOM 1855 OD1 ASP A 135 19.125 -5.854 -8.151 1.00 3.23 O ATOM 1856 OD2 ASP A 135 21.128 -5.979 -7.366 1.00 3.72 O ATOM 0 H ASP A 135 18.290 -6.470 -3.371 1.00 0.94 H new ATOM 0 HA ASP A 135 17.972 -5.907 -5.974 1.00 1.01 H new ATOM 0 HB2 ASP A 135 20.337 -7.700 -5.769 1.00 2.31 H new ATOM 0 HB3 ASP A 135 19.119 -8.249 -6.904 1.00 2.31 H new ATOM 1861 N ALA A 136 16.255 -7.529 -4.601 1.00 1.50 N ATOM 1862 CA ALA A 136 15.206 -8.544 -4.353 1.00 2.67 C ATOM 1863 C ALA A 136 13.850 -7.955 -4.640 1.00 1.41 C ATOM 1864 O ALA A 136 12.926 -8.068 -3.859 1.00 2.19 O ATOM 1865 CB ALA A 136 15.251 -9.015 -2.904 1.00 4.58 C ATOM 0 H ALA A 136 16.058 -6.598 -4.233 1.00 1.50 H new ATOM 0 HA ALA A 136 15.386 -9.395 -5.010 1.00 2.67 H new ATOM 0 HB1 ALA A 136 14.473 -9.761 -2.739 1.00 4.58 H new ATOM 0 HB2 ALA A 136 16.226 -9.455 -2.695 1.00 4.58 H new ATOM 0 HB3 ALA A 136 15.086 -8.166 -2.240 1.00 4.58 H new ATOM 1871 N ILE A 137 13.719 -7.345 -5.765 1.00 0.48 N ATOM 1872 CA ILE A 137 12.417 -6.764 -6.122 1.00 1.86 C ATOM 1873 C ILE A 137 11.620 -7.844 -6.845 1.00 1.43 C ATOM 1874 O ILE A 137 11.437 -7.790 -8.045 1.00 2.61 O ATOM 1875 CB ILE A 137 12.608 -5.570 -7.061 1.00 3.18 C ATOM 1876 CG1 ILE A 137 13.375 -4.385 -6.403 1.00 3.90 C ATOM 1877 CG2 ILE A 137 11.226 -5.081 -7.481 1.00 4.29 C ATOM 1878 CD1 ILE A 137 14.171 -4.799 -5.148 1.00 2.21 C ATOM 0 H ILE A 137 14.459 -7.222 -6.456 1.00 0.48 H new ATOM 0 HA ILE A 137 11.900 -6.421 -5.226 1.00 1.86 H new ATOM 0 HB ILE A 137 13.207 -5.906 -7.907 1.00 3.18 H new ATOM 0 HG12 ILE A 137 14.059 -3.953 -7.133 1.00 3.90 H new ATOM 0 HG13 ILE A 137 12.663 -3.605 -6.133 1.00 3.90 H new ATOM 0 HG21 ILE A 137 11.330 -4.228 -8.152 1.00 4.29 H new ATOM 0 HG22 ILE A 137 10.696 -5.884 -7.994 1.00 4.29 H new ATOM 0 HG23 ILE A 137 10.662 -4.781 -6.598 1.00 4.29 H new ATOM 0 HD11 ILE A 137 14.682 -3.928 -4.738 1.00 2.21 H new ATOM 0 HD12 ILE A 137 13.488 -5.204 -4.401 1.00 2.21 H new ATOM 0 HD13 ILE A 137 14.906 -5.558 -5.417 1.00 2.21 H new ATOM 1890 N THR A 138 11.164 -8.835 -6.135 1.00 0.89 N ATOM 1891 CA THR A 138 10.397 -9.922 -6.803 1.00 0.91 C ATOM 1892 C THR A 138 9.271 -9.315 -7.645 1.00 0.53 C ATOM 1893 O THR A 138 9.086 -8.114 -7.685 1.00 0.83 O ATOM 1894 CB THR A 138 9.787 -10.865 -5.766 1.00 1.65 C ATOM 1895 OG1 THR A 138 9.970 -10.336 -4.460 1.00 2.55 O ATOM 1896 CG2 THR A 138 10.460 -12.235 -5.864 1.00 2.26 C ATOM 0 H THR A 138 11.287 -8.940 -5.128 1.00 0.89 H new ATOM 0 HA THR A 138 11.080 -10.484 -7.440 1.00 0.91 H new ATOM 0 HB THR A 138 8.720 -10.968 -5.961 1.00 1.65 H new ATOM 0 HG1 THR A 138 9.106 -10.046 -4.100 1.00 2.55 H new ATOM 0 HG21 THR A 138 10.025 -12.908 -5.125 1.00 2.26 H new ATOM 0 HG22 THR A 138 10.307 -12.645 -6.862 1.00 2.26 H new ATOM 0 HG23 THR A 138 11.528 -12.130 -5.675 1.00 2.26 H new ATOM 1904 N THR A 139 8.519 -10.134 -8.317 1.00 0.53 N ATOM 1905 CA THR A 139 7.414 -9.600 -9.153 1.00 1.03 C ATOM 1906 C THR A 139 6.412 -10.729 -9.450 1.00 1.02 C ATOM 1907 O THR A 139 6.778 -11.713 -10.064 1.00 1.02 O ATOM 1908 CB THR A 139 8.001 -9.075 -10.465 1.00 1.60 C ATOM 1909 OG1 THR A 139 8.832 -7.957 -10.195 1.00 2.54 O ATOM 1910 CG2 THR A 139 6.876 -8.656 -11.417 1.00 1.17 C ATOM 0 H THR A 139 8.621 -11.149 -8.324 1.00 0.53 H new ATOM 0 HA THR A 139 6.902 -8.793 -8.629 1.00 1.03 H new ATOM 0 HB THR A 139 8.587 -9.866 -10.934 1.00 1.60 H new ATOM 0 HG1 THR A 139 8.704 -7.671 -9.266 1.00 2.54 H new ATOM 0 HG21 THR A 139 7.306 -8.284 -12.347 1.00 1.17 H new ATOM 0 HG22 THR A 139 6.240 -9.515 -11.629 1.00 1.17 H new ATOM 0 HG23 THR A 139 6.280 -7.870 -10.953 1.00 1.17 H new ATOM 1958 N THR A 143 -0.460 -12.647 -14.747 1.00 1.65 N ATOM 1959 CA THR A 143 -1.554 -13.632 -14.955 1.00 1.64 C ATOM 1960 C THR A 143 -2.096 -14.020 -13.581 1.00 1.37 C ATOM 1961 O THR A 143 -3.271 -14.278 -13.410 1.00 1.39 O ATOM 1962 CB THR A 143 -1.010 -14.875 -15.667 1.00 1.76 C ATOM 1963 OG1 THR A 143 0.073 -15.412 -14.921 1.00 1.41 O ATOM 1964 CG2 THR A 143 -0.529 -14.494 -17.066 1.00 1.98 C ATOM 0 HA THR A 143 -2.343 -13.200 -15.571 1.00 1.64 H new ATOM 0 HB THR A 143 -1.800 -15.622 -15.748 1.00 1.76 H new ATOM 0 HG1 THR A 143 0.482 -14.703 -14.381 1.00 1.41 H new ATOM 0 HG21 THR A 143 -0.142 -15.379 -17.571 1.00 1.98 H new ATOM 0 HG22 THR A 143 -1.362 -14.084 -17.638 1.00 1.98 H new ATOM 0 HG23 THR A 143 0.261 -13.747 -16.988 1.00 1.98 H new ATOM 1972 N THR A 144 -1.241 -14.038 -12.594 1.00 1.13 N ATOM 1973 CA THR A 144 -1.693 -14.381 -11.219 1.00 0.84 C ATOM 1974 C THR A 144 -2.355 -13.147 -10.613 1.00 0.77 C ATOM 1975 O THR A 144 -3.339 -13.239 -9.908 1.00 0.63 O ATOM 1976 CB THR A 144 -0.491 -14.790 -10.364 1.00 0.72 C ATOM 1977 OG1 THR A 144 0.490 -15.401 -11.190 1.00 0.66 O ATOM 1978 CG2 THR A 144 -0.941 -15.776 -9.285 1.00 0.75 C ATOM 0 H THR A 144 -0.247 -13.829 -12.683 1.00 1.13 H new ATOM 0 HA THR A 144 -2.398 -15.212 -11.253 1.00 0.84 H new ATOM 0 HB THR A 144 -0.065 -13.906 -9.889 1.00 0.72 H new ATOM 0 HG1 THR A 144 1.261 -15.662 -10.644 1.00 0.66 H new ATOM 0 HG21 THR A 144 -0.084 -16.066 -8.677 1.00 0.75 H new ATOM 0 HG22 THR A 144 -1.692 -15.304 -8.651 1.00 0.75 H new ATOM 0 HG23 THR A 144 -1.368 -16.661 -9.756 1.00 0.75 H new ATOM 1986 N ASN A 145 -1.832 -11.986 -10.902 1.00 0.87 N ATOM 1987 CA ASN A 145 -2.447 -10.744 -10.365 1.00 0.84 C ATOM 1988 C ASN A 145 -3.814 -10.547 -11.025 1.00 0.83 C ATOM 1989 O ASN A 145 -4.636 -9.789 -10.556 1.00 0.73 O ATOM 1990 CB ASN A 145 -1.550 -9.540 -10.663 1.00 0.99 C ATOM 1991 CG ASN A 145 -1.114 -8.902 -9.342 1.00 0.92 C ATOM 1992 OD1 ASN A 145 0.018 -8.484 -9.200 1.00 0.97 O ATOM 1993 ND2 ASN A 145 -1.974 -8.806 -8.363 1.00 0.82 N ATOM 0 H ASN A 145 -1.007 -11.847 -11.486 1.00 0.87 H new ATOM 0 HA ASN A 145 -2.564 -10.831 -9.285 1.00 0.84 H new ATOM 0 HB2 ASN A 145 -0.677 -9.854 -11.235 1.00 0.99 H new ATOM 0 HB3 ASN A 145 -2.086 -8.813 -11.273 1.00 0.99 H new ATOM 0 HD21 ASN A 145 -1.695 -8.380 -7.479 1.00 0.82 H new ATOM 0 HD22 ASN A 145 -2.924 -9.157 -8.483 1.00 0.82 H new ATOM 2000 N ALA A 146 -4.068 -11.236 -12.108 1.00 0.99 N ATOM 2001 CA ALA A 146 -5.385 -11.104 -12.786 1.00 1.04 C ATOM 2002 C ALA A 146 -6.410 -11.929 -12.022 1.00 0.96 C ATOM 2003 O ALA A 146 -7.586 -11.653 -12.061 1.00 1.01 O ATOM 2004 CB ALA A 146 -5.273 -11.620 -14.221 1.00 1.18 C ATOM 0 H ALA A 146 -3.417 -11.885 -12.550 1.00 0.99 H new ATOM 0 HA ALA A 146 -5.693 -10.059 -12.807 1.00 1.04 H new ATOM 0 HB1 ALA A 146 -6.238 -11.524 -14.719 1.00 1.18 H new ATOM 0 HB2 ALA A 146 -4.527 -11.037 -14.760 1.00 1.18 H new ATOM 0 HB3 ALA A 146 -4.974 -12.668 -14.208 1.00 1.18 H new ATOM 2010 N SER A 147 -5.974 -12.932 -11.314 1.00 0.84 N ATOM 2011 CA SER A 147 -6.936 -13.752 -10.533 1.00 0.79 C ATOM 2012 C SER A 147 -7.217 -13.041 -9.213 1.00 0.66 C ATOM 2013 O SER A 147 -8.334 -13.011 -8.739 1.00 0.62 O ATOM 2014 CB SER A 147 -6.344 -15.137 -10.264 1.00 0.79 C ATOM 2015 OG SER A 147 -7.237 -16.131 -10.747 1.00 0.92 O ATOM 0 H SER A 147 -4.997 -13.218 -11.243 1.00 0.84 H new ATOM 0 HA SER A 147 -7.862 -13.875 -11.095 1.00 0.79 H new ATOM 0 HB2 SER A 147 -5.375 -15.233 -10.755 1.00 0.79 H new ATOM 0 HB3 SER A 147 -6.175 -15.272 -9.196 1.00 0.79 H new ATOM 0 HG SER A 147 -6.860 -17.020 -10.578 1.00 0.92 H new ATOM 2021 N LEU A 148 -6.215 -12.441 -8.625 1.00 0.59 N ATOM 2022 CA LEU A 148 -6.445 -11.708 -7.351 1.00 0.46 C ATOM 2023 C LEU A 148 -7.376 -10.539 -7.645 1.00 0.44 C ATOM 2024 O LEU A 148 -8.419 -10.407 -7.056 1.00 0.53 O ATOM 2025 CB LEU A 148 -5.118 -11.165 -6.798 1.00 0.43 C ATOM 2026 CG LEU A 148 -5.397 -10.070 -5.753 1.00 0.38 C ATOM 2027 CD1 LEU A 148 -6.286 -10.628 -4.643 1.00 0.32 C ATOM 2028 CD2 LEU A 148 -4.091 -9.576 -5.155 1.00 0.35 C ATOM 0 H LEU A 148 -5.255 -12.428 -8.971 1.00 0.59 H new ATOM 0 HA LEU A 148 -6.881 -12.381 -6.612 1.00 0.46 H new ATOM 0 HB2 LEU A 148 -4.544 -11.974 -6.346 1.00 0.43 H new ATOM 0 HB3 LEU A 148 -4.514 -10.760 -7.610 1.00 0.43 H new ATOM 0 HG LEU A 148 -5.905 -9.238 -6.241 1.00 0.38 H new ATOM 0 HD11 LEU A 148 -6.480 -9.849 -3.906 1.00 0.32 H new ATOM 0 HD12 LEU A 148 -7.230 -10.968 -5.069 1.00 0.32 H new ATOM 0 HD13 LEU A 148 -5.783 -11.466 -4.161 1.00 0.32 H new ATOM 0 HD21 LEU A 148 -4.299 -8.801 -4.417 1.00 0.35 H new ATOM 0 HD22 LEU A 148 -3.574 -10.406 -4.674 1.00 0.35 H new ATOM 0 HD23 LEU A 148 -3.462 -9.165 -5.945 1.00 0.35 H new ATOM 2040 N LEU A 149 -6.970 -9.685 -8.543 1.00 0.31 N ATOM 2041 CA LEU A 149 -7.794 -8.499 -8.898 1.00 0.26 C ATOM 2042 C LEU A 149 -9.164 -8.966 -9.358 1.00 0.25 C ATOM 2043 O LEU A 149 -10.176 -8.482 -8.911 1.00 0.33 O ATOM 2044 CB LEU A 149 -7.107 -7.749 -10.038 1.00 0.31 C ATOM 2045 CG LEU A 149 -7.886 -6.475 -10.365 1.00 0.26 C ATOM 2046 CD1 LEU A 149 -7.984 -5.597 -9.117 1.00 0.15 C ATOM 2047 CD2 LEU A 149 -7.155 -5.708 -11.471 1.00 0.35 C ATOM 0 H LEU A 149 -6.089 -9.761 -9.052 1.00 0.31 H new ATOM 0 HA LEU A 149 -7.902 -7.844 -8.034 1.00 0.26 H new ATOM 0 HB2 LEU A 149 -6.084 -7.498 -9.756 1.00 0.31 H new ATOM 0 HB3 LEU A 149 -7.047 -8.386 -10.920 1.00 0.31 H new ATOM 0 HG LEU A 149 -8.889 -6.738 -10.700 1.00 0.26 H new ATOM 0 HD11 LEU A 149 -8.540 -4.690 -9.353 1.00 0.15 H new ATOM 0 HD12 LEU A 149 -8.500 -6.143 -8.327 1.00 0.15 H new ATOM 0 HD13 LEU A 149 -6.982 -5.331 -8.779 1.00 0.15 H new ATOM 0 HD21 LEU A 149 -7.706 -4.798 -11.708 1.00 0.35 H new ATOM 0 HD22 LEU A 149 -6.153 -5.447 -11.131 1.00 0.35 H new ATOM 0 HD23 LEU A 149 -7.085 -6.332 -12.362 1.00 0.35 H new ATOM 2059 N THR A 150 -9.202 -9.915 -10.245 1.00 0.32 N ATOM 2060 CA THR A 150 -10.508 -10.433 -10.729 1.00 0.34 C ATOM 2061 C THR A 150 -11.312 -10.916 -9.514 1.00 0.38 C ATOM 2062 O THR A 150 -12.527 -10.923 -9.515 1.00 0.46 O ATOM 2063 CB THR A 150 -10.237 -11.583 -11.710 1.00 0.35 C ATOM 2064 OG1 THR A 150 -9.748 -11.050 -12.935 1.00 1.01 O ATOM 2065 CG2 THR A 150 -11.514 -12.368 -11.988 1.00 1.71 C ATOM 0 H THR A 150 -8.381 -10.357 -10.658 1.00 0.32 H new ATOM 0 HA THR A 150 -11.081 -9.662 -11.245 1.00 0.34 H new ATOM 0 HB THR A 150 -9.500 -12.252 -11.265 1.00 0.35 H new ATOM 0 HG1 THR A 150 -8.819 -11.333 -13.067 1.00 1.01 H new ATOM 0 HG21 THR A 150 -11.299 -13.178 -12.685 1.00 1.71 H new ATOM 0 HG22 THR A 150 -11.896 -12.784 -11.056 1.00 1.71 H new ATOM 0 HG23 THR A 150 -12.262 -11.704 -12.422 1.00 1.71 H new ATOM 2073 N LYS A 151 -10.627 -11.310 -8.475 1.00 0.37 N ATOM 2074 CA LYS A 151 -11.316 -11.787 -7.244 1.00 0.38 C ATOM 2075 C LYS A 151 -11.768 -10.589 -6.393 1.00 0.31 C ATOM 2076 O LYS A 151 -12.781 -10.651 -5.726 1.00 0.25 O ATOM 2077 CB LYS A 151 -10.353 -12.652 -6.429 1.00 0.42 C ATOM 2078 CG LYS A 151 -11.087 -13.233 -5.219 1.00 0.45 C ATOM 2079 CD LYS A 151 -10.623 -12.519 -3.948 1.00 1.18 C ATOM 2080 CE LYS A 151 -9.830 -13.495 -3.074 1.00 0.72 C ATOM 2081 NZ LYS A 151 -9.940 -13.088 -1.642 1.00 0.56 N ATOM 0 H LYS A 151 -9.608 -11.321 -8.427 1.00 0.37 H new ATOM 0 HA LYS A 151 -12.191 -12.372 -7.529 1.00 0.38 H new ATOM 0 HB2 LYS A 151 -9.957 -13.457 -7.049 1.00 0.42 H new ATOM 0 HB3 LYS A 151 -9.502 -12.056 -6.100 1.00 0.42 H new ATOM 0 HG2 LYS A 151 -12.164 -13.115 -5.342 1.00 0.45 H new ATOM 0 HG3 LYS A 151 -10.890 -14.302 -5.140 1.00 0.45 H new ATOM 0 HD2 LYS A 151 -10.004 -11.660 -4.206 1.00 1.18 H new ATOM 0 HD3 LYS A 151 -11.483 -12.138 -3.398 1.00 1.18 H new ATOM 0 HE2 LYS A 151 -10.211 -14.508 -3.205 1.00 0.72 H new ATOM 0 HE3 LYS A 151 -8.784 -13.506 -3.380 1.00 0.72 H new ATOM 0 HZ1 LYS A 151 -9.401 -13.752 -1.050 1.00 0.56 H new ATOM 0 HZ2 LYS A 151 -9.557 -12.129 -1.523 1.00 0.56 H new ATOM 0 HZ3 LYS A 151 -10.939 -13.100 -1.354 1.00 0.56 H new ATOM 2095 N LEU A 152 -11.042 -9.495 -6.412 1.00 0.34 N ATOM 2096 CA LEU A 152 -11.470 -8.318 -5.605 1.00 0.30 C ATOM 2097 C LEU A 152 -12.754 -7.781 -6.216 1.00 0.27 C ATOM 2098 O LEU A 152 -13.701 -7.445 -5.533 1.00 0.21 O ATOM 2099 CB LEU A 152 -10.422 -7.191 -5.658 1.00 0.42 C ATOM 2100 CG LEU A 152 -8.991 -7.733 -5.599 1.00 0.41 C ATOM 2101 CD1 LEU A 152 -8.015 -6.563 -5.702 1.00 0.33 C ATOM 2102 CD2 LEU A 152 -8.757 -8.457 -4.276 1.00 0.39 C ATOM 0 H LEU A 152 -10.182 -9.371 -6.946 1.00 0.34 H new ATOM 0 HA LEU A 152 -11.600 -8.631 -4.569 1.00 0.30 H new ATOM 0 HB2 LEU A 152 -10.554 -6.616 -6.575 1.00 0.42 H new ATOM 0 HB3 LEU A 152 -10.584 -6.506 -4.826 1.00 0.42 H new ATOM 0 HG LEU A 152 -8.837 -8.431 -6.422 1.00 0.41 H new ATOM 0 HD11 LEU A 152 -6.992 -6.938 -5.661 1.00 0.33 H new ATOM 0 HD12 LEU A 152 -8.172 -6.040 -6.645 1.00 0.33 H new ATOM 0 HD13 LEU A 152 -8.183 -5.875 -4.873 1.00 0.33 H new ATOM 0 HD21 LEU A 152 -7.736 -8.838 -4.245 1.00 0.39 H new ATOM 0 HD22 LEU A 152 -8.910 -7.763 -3.449 1.00 0.39 H new ATOM 0 HD23 LEU A 152 -9.457 -9.288 -4.187 1.00 0.39 H new ATOM 2114 N GLN A 153 -12.770 -7.682 -7.514 1.00 0.35 N ATOM 2115 CA GLN A 153 -13.957 -7.151 -8.217 1.00 0.37 C ATOM 2116 C GLN A 153 -15.029 -8.236 -8.340 1.00 0.37 C ATOM 2117 O GLN A 153 -16.184 -7.950 -8.592 1.00 0.39 O ATOM 2118 CB GLN A 153 -13.537 -6.680 -9.610 1.00 0.44 C ATOM 2119 CG GLN A 153 -13.134 -5.206 -9.549 1.00 0.60 C ATOM 2120 CD GLN A 153 -13.858 -4.435 -10.655 1.00 0.74 C ATOM 2121 OE1 GLN A 153 -15.072 -4.419 -10.704 1.00 1.24 O ATOM 2122 NE2 GLN A 153 -13.159 -3.792 -11.550 1.00 0.62 N ATOM 0 H GLN A 153 -11.997 -7.952 -8.122 1.00 0.35 H new ATOM 0 HA GLN A 153 -14.371 -6.316 -7.651 1.00 0.37 H new ATOM 0 HB2 GLN A 153 -12.704 -7.281 -9.973 1.00 0.44 H new ATOM 0 HB3 GLN A 153 -14.358 -6.815 -10.314 1.00 0.44 H new ATOM 0 HG2 GLN A 153 -13.387 -4.789 -8.574 1.00 0.60 H new ATOM 0 HG3 GLN A 153 -12.055 -5.107 -9.668 1.00 0.60 H new ATOM 0 HE21 GLN A 153 -12.140 -3.806 -11.508 1.00 0.62 H new ATOM 0 HE22 GLN A 153 -13.632 -3.275 -12.292 1.00 0.62 H new ATOM 2131 N ALA A 154 -14.665 -9.477 -8.163 1.00 0.35 N ATOM 2132 CA ALA A 154 -15.676 -10.567 -8.269 1.00 0.35 C ATOM 2133 C ALA A 154 -16.323 -10.788 -6.901 1.00 0.23 C ATOM 2134 O ALA A 154 -16.436 -11.901 -6.429 1.00 0.39 O ATOM 2135 CB ALA A 154 -14.986 -11.855 -8.722 1.00 0.42 C ATOM 0 H ALA A 154 -13.715 -9.782 -7.950 1.00 0.35 H new ATOM 0 HA ALA A 154 -16.441 -10.291 -8.994 1.00 0.35 H new ATOM 0 HB1 ALA A 154 -15.723 -12.654 -8.800 1.00 0.42 H new ATOM 0 HB2 ALA A 154 -14.519 -11.695 -9.694 1.00 0.42 H new ATOM 0 HB3 ALA A 154 -14.224 -12.135 -7.995 1.00 0.42 H new ATOM 2141 N GLN A 155 -16.747 -9.734 -6.257 1.00 0.80 N ATOM 2142 CA GLN A 155 -17.379 -9.882 -4.917 1.00 0.71 C ATOM 2143 C GLN A 155 -18.641 -9.017 -4.855 1.00 0.72 C ATOM 2144 O GLN A 155 -18.847 -8.144 -5.676 1.00 0.80 O ATOM 2145 CB GLN A 155 -16.403 -9.426 -3.822 1.00 0.51 C ATOM 2146 CG GLN A 155 -14.967 -9.849 -4.163 1.00 0.70 C ATOM 2147 CD GLN A 155 -14.805 -11.352 -3.924 1.00 1.48 C ATOM 2148 OE1 GLN A 155 -14.610 -12.110 -4.853 1.00 2.45 O ATOM 2149 NE2 GLN A 155 -14.873 -11.816 -2.706 1.00 1.81 N ATOM 0 H GLN A 155 -16.682 -8.776 -6.602 1.00 0.80 H new ATOM 0 HA GLN A 155 -17.636 -10.929 -4.757 1.00 0.71 H new ATOM 0 HB2 GLN A 155 -16.452 -8.343 -3.713 1.00 0.51 H new ATOM 0 HB3 GLN A 155 -16.696 -9.856 -2.864 1.00 0.51 H new ATOM 0 HG2 GLN A 155 -14.744 -9.610 -5.203 1.00 0.70 H new ATOM 0 HG3 GLN A 155 -14.258 -9.294 -3.549 1.00 0.70 H new ATOM 0 HE21 GLN A 155 -15.037 -11.179 -1.926 1.00 1.81 H new ATOM 0 HE22 GLN A 155 -14.762 -12.815 -2.534 1.00 1.81 H new ATOM 2158 N ASN A 156 -19.484 -9.249 -3.886 1.00 0.69 N ATOM 2159 CA ASN A 156 -20.728 -8.434 -3.769 1.00 0.78 C ATOM 2160 C ASN A 156 -20.353 -6.973 -3.530 1.00 0.67 C ATOM 2161 O ASN A 156 -19.193 -6.625 -3.476 1.00 0.56 O ATOM 2162 CB ASN A 156 -21.560 -8.942 -2.590 1.00 0.84 C ATOM 2163 CG ASN A 156 -22.646 -9.887 -3.102 1.00 1.35 C ATOM 2164 OD1 ASN A 156 -23.783 -9.490 -3.270 1.00 2.21 O ATOM 2165 ND2 ASN A 156 -22.344 -11.129 -3.358 1.00 1.36 N ATOM 0 H ASN A 156 -19.366 -9.967 -3.171 1.00 0.69 H new ATOM 0 HA ASN A 156 -21.308 -8.519 -4.688 1.00 0.78 H new ATOM 0 HB2 ASN A 156 -20.920 -9.460 -1.876 1.00 0.84 H new ATOM 0 HB3 ASN A 156 -22.013 -8.103 -2.062 1.00 0.84 H new ATOM 0 HD21 ASN A 156 -23.062 -11.768 -3.699 1.00 1.36 H new ATOM 0 HD22 ASN A 156 -21.390 -11.461 -3.217 1.00 1.36 H new ATOM 2172 N GLN A 157 -21.325 -6.116 -3.375 1.00 0.92 N ATOM 2173 CA GLN A 157 -21.012 -4.683 -3.119 1.00 0.86 C ATOM 2174 C GLN A 157 -20.473 -4.562 -1.695 1.00 0.74 C ATOM 2175 O GLN A 157 -19.646 -3.725 -1.392 1.00 0.68 O ATOM 2176 CB GLN A 157 -22.285 -3.845 -3.263 1.00 1.04 C ATOM 2177 CG GLN A 157 -21.980 -2.384 -2.923 1.00 1.49 C ATOM 2178 CD GLN A 157 -22.965 -1.471 -3.653 1.00 1.90 C ATOM 2179 OE1 GLN A 157 -23.468 -1.817 -4.704 1.00 1.29 O ATOM 2180 NE2 GLN A 157 -23.264 -0.309 -3.138 1.00 3.00 N ATOM 0 H GLN A 157 -22.318 -6.345 -3.414 1.00 0.92 H new ATOM 0 HA GLN A 157 -20.273 -4.323 -3.834 1.00 0.86 H new ATOM 0 HB2 GLN A 157 -22.668 -3.920 -4.281 1.00 1.04 H new ATOM 0 HB3 GLN A 157 -23.062 -4.228 -2.601 1.00 1.04 H new ATOM 0 HG2 GLN A 157 -22.053 -2.228 -1.847 1.00 1.49 H new ATOM 0 HG3 GLN A 157 -20.958 -2.138 -3.212 1.00 1.49 H new ATOM 0 HE21 GLN A 157 -22.842 -0.018 -2.256 1.00 3.00 H new ATOM 0 HE22 GLN A 157 -23.919 0.308 -3.618 1.00 3.00 H new ATOM 2189 N TRP A 158 -20.941 -5.411 -0.824 1.00 0.71 N ATOM 2190 CA TRP A 158 -20.474 -5.388 0.589 1.00 0.59 C ATOM 2191 C TRP A 158 -18.979 -5.713 0.628 1.00 0.45 C ATOM 2192 O TRP A 158 -18.173 -4.943 1.114 1.00 0.50 O ATOM 2193 CB TRP A 158 -21.251 -6.449 1.375 1.00 0.53 C ATOM 2194 CG TRP A 158 -20.754 -6.512 2.786 1.00 0.41 C ATOM 2195 CD1 TRP A 158 -19.608 -7.113 3.178 1.00 0.38 C ATOM 2196 CD2 TRP A 158 -21.366 -5.972 3.994 1.00 0.67 C ATOM 2197 NE1 TRP A 158 -19.475 -6.976 4.548 1.00 0.61 N ATOM 2198 CE2 TRP A 158 -20.533 -6.277 5.096 1.00 0.65 C ATOM 2199 CE3 TRP A 158 -22.548 -5.249 4.237 1.00 1.05 C ATOM 2200 CZ2 TRP A 158 -20.862 -5.884 6.394 1.00 0.87 C ATOM 2201 CZ3 TRP A 158 -22.883 -4.852 5.541 1.00 1.22 C ATOM 2202 CH2 TRP A 158 -22.041 -5.168 6.617 1.00 1.09 C ATOM 0 H TRP A 158 -21.635 -6.128 -1.034 1.00 0.71 H new ATOM 0 HA TRP A 158 -20.641 -4.404 1.028 1.00 0.59 H new ATOM 0 HB2 TRP A 158 -22.315 -6.212 1.366 1.00 0.53 H new ATOM 0 HB3 TRP A 158 -21.137 -7.422 0.897 1.00 0.53 H new ATOM 0 HD1 TRP A 158 -18.910 -7.618 2.527 1.00 0.38 H new ATOM 0 HE1 TRP A 158 -18.692 -7.346 5.087 1.00 0.61 H new ATOM 0 HE3 TRP A 158 -23.202 -4.998 3.415 1.00 1.05 H new ATOM 0 HZ2 TRP A 158 -20.211 -6.131 7.219 1.00 0.87 H new ATOM 0 HZ3 TRP A 158 -23.794 -4.300 5.717 1.00 1.22 H new ATOM 0 HH2 TRP A 158 -22.304 -4.858 7.618 1.00 1.09 H new ATOM 2213 N LEU A 159 -18.609 -6.854 0.117 1.00 0.37 N ATOM 2214 CA LEU A 159 -17.172 -7.249 0.114 1.00 0.28 C ATOM 2215 C LEU A 159 -16.358 -6.225 -0.673 1.00 0.35 C ATOM 2216 O LEU A 159 -15.230 -5.928 -0.345 1.00 0.48 O ATOM 2217 CB LEU A 159 -17.033 -8.615 -0.556 1.00 0.49 C ATOM 2218 CG LEU A 159 -16.004 -9.472 0.188 1.00 1.10 C ATOM 2219 CD1 LEU A 159 -14.696 -8.694 0.369 1.00 3.17 C ATOM 2220 CD2 LEU A 159 -16.560 -9.867 1.558 1.00 0.44 C ATOM 0 H LEU A 159 -19.244 -7.534 -0.301 1.00 0.37 H new ATOM 0 HA LEU A 159 -16.806 -7.294 1.140 1.00 0.28 H new ATOM 0 HB2 LEU A 159 -17.998 -9.122 -0.567 1.00 0.49 H new ATOM 0 HB3 LEU A 159 -16.728 -8.488 -1.595 1.00 0.49 H new ATOM 0 HG LEU A 159 -15.803 -10.369 -0.397 1.00 1.10 H new ATOM 0 HD11 LEU A 159 -13.974 -9.315 0.899 1.00 3.17 H new ATOM 0 HD12 LEU A 159 -14.295 -8.424 -0.608 1.00 3.17 H new ATOM 0 HD13 LEU A 159 -14.888 -7.789 0.945 1.00 3.17 H new ATOM 0 HD21 LEU A 159 -15.827 -10.477 2.086 1.00 0.44 H new ATOM 0 HD22 LEU A 159 -16.770 -8.968 2.138 1.00 0.44 H new ATOM 0 HD23 LEU A 159 -17.479 -10.438 1.427 1.00 0.44 H new ATOM 2232 N GLN A 160 -16.927 -5.691 -1.713 1.00 0.33 N ATOM 2233 CA GLN A 160 -16.203 -4.683 -2.541 1.00 0.46 C ATOM 2234 C GLN A 160 -15.927 -3.444 -1.690 1.00 0.53 C ATOM 2235 O GLN A 160 -14.950 -2.748 -1.885 1.00 0.56 O ATOM 2236 CB GLN A 160 -17.075 -4.302 -3.743 1.00 0.61 C ATOM 2237 CG GLN A 160 -16.408 -3.177 -4.542 1.00 1.77 C ATOM 2238 CD GLN A 160 -15.177 -3.724 -5.268 1.00 2.00 C ATOM 2239 OE1 GLN A 160 -14.755 -4.835 -5.016 1.00 2.73 O ATOM 2240 NE2 GLN A 160 -14.580 -2.986 -6.162 1.00 2.73 N ATOM 0 H GLN A 160 -17.871 -5.909 -2.031 1.00 0.33 H new ATOM 0 HA GLN A 160 -15.259 -5.098 -2.895 1.00 0.46 H new ATOM 0 HB2 GLN A 160 -17.227 -5.172 -4.382 1.00 0.61 H new ATOM 0 HB3 GLN A 160 -18.059 -3.982 -3.401 1.00 0.61 H new ATOM 0 HG2 GLN A 160 -17.113 -2.761 -5.262 1.00 1.77 H new ATOM 0 HG3 GLN A 160 -16.118 -2.365 -3.875 1.00 1.77 H new ATOM 0 HE21 GLN A 160 -14.935 -2.053 -6.373 1.00 2.73 H new ATOM 0 HE22 GLN A 160 -13.758 -3.341 -6.650 1.00 2.73 H new ATOM 2249 N ASP A 161 -16.782 -3.168 -0.750 1.00 0.66 N ATOM 2250 CA ASP A 161 -16.577 -1.979 0.116 1.00 0.82 C ATOM 2251 C ASP A 161 -15.404 -2.240 1.064 1.00 0.69 C ATOM 2252 O ASP A 161 -14.536 -1.406 1.235 1.00 0.60 O ATOM 2253 CB ASP A 161 -17.849 -1.722 0.924 1.00 1.07 C ATOM 2254 CG ASP A 161 -17.783 -0.330 1.552 1.00 1.22 C ATOM 2255 OD1 ASP A 161 -17.659 0.629 0.807 1.00 0.76 O ATOM 2256 OD2 ASP A 161 -17.857 -0.243 2.765 1.00 2.13 O ATOM 0 H ASP A 161 -17.617 -3.716 -0.543 1.00 0.66 H new ATOM 0 HA ASP A 161 -16.355 -1.106 -0.498 1.00 0.82 H new ATOM 0 HB2 ASP A 161 -18.724 -1.800 0.279 1.00 1.07 H new ATOM 0 HB3 ASP A 161 -17.958 -2.478 1.701 1.00 1.07 H new ATOM 2261 N MET A 162 -15.366 -3.392 1.677 1.00 0.71 N ATOM 2262 CA MET A 162 -14.240 -3.702 2.606 1.00 0.63 C ATOM 2263 C MET A 162 -12.938 -3.782 1.808 1.00 0.44 C ATOM 2264 O MET A 162 -11.873 -3.513 2.314 1.00 0.56 O ATOM 2265 CB MET A 162 -14.497 -5.049 3.299 1.00 0.69 C ATOM 2266 CG MET A 162 -13.272 -5.448 4.135 1.00 1.24 C ATOM 2267 SD MET A 162 -12.248 -6.608 3.190 1.00 0.89 S ATOM 2268 CE MET A 162 -10.694 -5.677 3.263 1.00 0.64 C ATOM 0 H MET A 162 -16.063 -4.130 1.576 1.00 0.71 H new ATOM 0 HA MET A 162 -14.164 -2.918 3.360 1.00 0.63 H new ATOM 0 HB2 MET A 162 -15.377 -4.977 3.938 1.00 0.69 H new ATOM 0 HB3 MET A 162 -14.706 -5.817 2.554 1.00 0.69 H new ATOM 0 HG2 MET A 162 -12.692 -4.563 4.395 1.00 1.24 H new ATOM 0 HG3 MET A 162 -13.591 -5.907 5.071 1.00 1.24 H new ATOM 0 HE1 MET A 162 -10.413 -5.360 2.259 1.00 0.64 H new ATOM 0 HE2 MET A 162 -10.824 -4.800 3.898 1.00 0.64 H new ATOM 0 HE3 MET A 162 -9.909 -6.311 3.676 1.00 0.64 H new ATOM 2278 N THR A 163 -13.013 -4.151 0.561 1.00 0.25 N ATOM 2279 CA THR A 163 -11.777 -4.253 -0.263 1.00 0.17 C ATOM 2280 C THR A 163 -10.966 -2.960 -0.146 1.00 0.19 C ATOM 2281 O THR A 163 -9.829 -2.963 0.285 1.00 0.30 O ATOM 2282 CB THR A 163 -12.167 -4.490 -1.723 1.00 0.41 C ATOM 2283 OG1 THR A 163 -13.317 -5.323 -1.773 1.00 1.01 O ATOM 2284 CG2 THR A 163 -11.012 -5.170 -2.454 1.00 0.69 C ATOM 0 H THR A 163 -13.878 -4.387 0.075 1.00 0.25 H new ATOM 0 HA THR A 163 -11.168 -5.084 0.093 1.00 0.17 H new ATOM 0 HB THR A 163 -12.387 -3.536 -2.202 1.00 0.41 H new ATOM 0 HG1 THR A 163 -13.465 -5.729 -0.893 1.00 1.01 H new ATOM 0 HG21 THR A 163 -11.289 -5.339 -3.494 1.00 0.69 H new ATOM 0 HG22 THR A 163 -10.129 -4.532 -2.413 1.00 0.69 H new ATOM 0 HG23 THR A 163 -10.792 -6.125 -1.977 1.00 0.69 H new ATOM 2292 N THR A 164 -11.546 -1.854 -0.514 1.00 0.22 N ATOM 2293 CA THR A 164 -10.815 -0.561 -0.415 1.00 0.34 C ATOM 2294 C THR A 164 -10.617 -0.193 1.060 1.00 0.36 C ATOM 2295 O THR A 164 -9.785 0.626 1.399 1.00 0.48 O ATOM 2296 CB THR A 164 -11.632 0.529 -1.113 1.00 0.35 C ATOM 2297 OG1 THR A 164 -11.777 0.199 -2.487 1.00 0.99 O ATOM 2298 CG2 THR A 164 -10.916 1.874 -0.982 1.00 1.36 C ATOM 0 H THR A 164 -12.496 -1.789 -0.880 1.00 0.22 H new ATOM 0 HA THR A 164 -9.840 -0.652 -0.894 1.00 0.34 H new ATOM 0 HB THR A 164 -12.615 0.600 -0.648 1.00 0.35 H new ATOM 0 HG1 THR A 164 -12.301 0.894 -2.937 1.00 0.99 H new ATOM 0 HG21 THR A 164 -11.501 2.647 -1.480 1.00 1.36 H new ATOM 0 HG22 THR A 164 -10.805 2.126 0.073 1.00 1.36 H new ATOM 0 HG23 THR A 164 -9.931 1.809 -1.445 1.00 1.36 H new ATOM 2306 N HIS A 165 -11.379 -0.787 1.940 1.00 0.46 N ATOM 2307 CA HIS A 165 -11.242 -0.468 3.388 1.00 0.52 C ATOM 2308 C HIS A 165 -9.887 -0.964 3.911 1.00 0.48 C ATOM 2309 O HIS A 165 -9.237 -0.295 4.690 1.00 0.96 O ATOM 2310 CB HIS A 165 -12.379 -1.145 4.165 1.00 0.61 C ATOM 2311 CG HIS A 165 -12.181 -0.944 5.643 1.00 0.60 C ATOM 2312 ND1 HIS A 165 -12.155 -2.006 6.530 1.00 0.74 N ATOM 2313 CD2 HIS A 165 -11.987 0.183 6.400 1.00 0.51 C ATOM 2314 CE1 HIS A 165 -11.951 -1.502 7.760 1.00 0.77 C ATOM 2315 NE2 HIS A 165 -11.841 -0.170 7.737 1.00 0.63 N ATOM 0 H HIS A 165 -12.092 -1.481 1.716 1.00 0.46 H new ATOM 0 HA HIS A 165 -11.297 0.612 3.526 1.00 0.52 H new ATOM 0 HB2 HIS A 165 -13.339 -0.729 3.858 1.00 0.61 H new ATOM 0 HB3 HIS A 165 -12.405 -2.210 3.934 1.00 0.61 H new ATOM 0 HD2 HIS A 165 -11.953 1.192 6.016 1.00 0.51 H new ATOM 0 HE1 HIS A 165 -11.884 -2.100 8.657 1.00 0.77 H new ATOM 0 HE2 HIS A 165 -11.684 0.453 8.529 1.00 0.63 H new ATOM 2323 N LEU A 166 -9.458 -2.130 3.509 1.00 0.29 N ATOM 2324 CA LEU A 166 -8.155 -2.640 4.015 1.00 0.29 C ATOM 2325 C LEU A 166 -7.009 -2.096 3.170 1.00 0.24 C ATOM 2326 O LEU A 166 -5.916 -1.917 3.660 1.00 0.28 O ATOM 2327 CB LEU A 166 -8.119 -4.165 3.982 1.00 0.46 C ATOM 2328 CG LEU A 166 -6.820 -4.642 4.638 1.00 1.11 C ATOM 2329 CD1 LEU A 166 -7.149 -5.498 5.861 1.00 0.78 C ATOM 2330 CD2 LEU A 166 -6.016 -5.466 3.633 1.00 2.70 C ATOM 0 H LEU A 166 -9.948 -2.744 2.859 1.00 0.29 H new ATOM 0 HA LEU A 166 -8.042 -2.303 5.045 1.00 0.29 H new ATOM 0 HB2 LEU A 166 -8.981 -4.574 4.509 1.00 0.46 H new ATOM 0 HB3 LEU A 166 -8.176 -4.522 2.954 1.00 0.46 H new ATOM 0 HG LEU A 166 -6.232 -3.780 4.951 1.00 1.11 H new ATOM 0 HD11 LEU A 166 -6.224 -5.837 6.327 1.00 0.78 H new ATOM 0 HD12 LEU A 166 -7.720 -4.906 6.576 1.00 0.78 H new ATOM 0 HD13 LEU A 166 -7.738 -6.362 5.553 1.00 0.78 H new ATOM 0 HD21 LEU A 166 -5.091 -5.806 4.099 1.00 2.70 H new ATOM 0 HD22 LEU A 166 -6.603 -6.329 3.318 1.00 2.70 H new ATOM 0 HD23 LEU A 166 -5.780 -4.851 2.764 1.00 2.70 H new ATOM 2342 N ILE A 167 -7.231 -1.828 1.908 1.00 0.18 N ATOM 2343 CA ILE A 167 -6.114 -1.290 1.083 1.00 0.17 C ATOM 2344 C ILE A 167 -5.665 0.033 1.694 1.00 0.17 C ATOM 2345 O ILE A 167 -4.490 0.305 1.817 1.00 0.37 O ATOM 2346 CB ILE A 167 -6.567 -1.060 -0.358 1.00 0.12 C ATOM 2347 CG1 ILE A 167 -6.965 -2.400 -0.983 1.00 0.10 C ATOM 2348 CG2 ILE A 167 -5.412 -0.439 -1.157 1.00 0.16 C ATOM 2349 CD1 ILE A 167 -7.456 -2.174 -2.413 1.00 0.22 C ATOM 0 H ILE A 167 -8.119 -1.956 1.423 1.00 0.18 H new ATOM 0 HA ILE A 167 -5.293 -2.007 1.070 1.00 0.17 H new ATOM 0 HB ILE A 167 -7.423 -0.386 -0.374 1.00 0.12 H new ATOM 0 HG12 ILE A 167 -6.113 -3.080 -0.984 1.00 0.10 H new ATOM 0 HG13 ILE A 167 -7.748 -2.871 -0.389 1.00 0.10 H new ATOM 0 HG21 ILE A 167 -5.730 -0.273 -2.186 1.00 0.16 H new ATOM 0 HG22 ILE A 167 -5.128 0.512 -0.707 1.00 0.16 H new ATOM 0 HG23 ILE A 167 -4.557 -1.115 -1.146 1.00 0.16 H new ATOM 0 HD11 ILE A 167 -7.739 -3.129 -2.856 1.00 0.22 H new ATOM 0 HD12 ILE A 167 -8.320 -1.510 -2.400 1.00 0.22 H new ATOM 0 HD13 ILE A 167 -6.660 -1.722 -3.004 1.00 0.22 H new ATOM 2361 N LEU A 168 -6.597 0.855 2.088 1.00 0.09 N ATOM 2362 CA LEU A 168 -6.226 2.157 2.706 1.00 0.11 C ATOM 2363 C LEU A 168 -5.726 1.912 4.133 1.00 0.10 C ATOM 2364 O LEU A 168 -5.032 2.729 4.706 1.00 0.09 O ATOM 2365 CB LEU A 168 -7.453 3.072 2.743 1.00 0.17 C ATOM 2366 CG LEU A 168 -7.993 3.257 1.324 1.00 0.14 C ATOM 2367 CD1 LEU A 168 -9.390 3.876 1.384 1.00 0.54 C ATOM 2368 CD2 LEU A 168 -7.060 4.183 0.540 1.00 0.46 C ATOM 0 H LEU A 168 -7.599 0.681 2.009 1.00 0.09 H new ATOM 0 HA LEU A 168 -5.440 2.632 2.119 1.00 0.11 H new ATOM 0 HB2 LEU A 168 -8.223 2.641 3.383 1.00 0.17 H new ATOM 0 HB3 LEU A 168 -7.187 4.038 3.171 1.00 0.17 H new ATOM 0 HG LEU A 168 -8.047 2.288 0.828 1.00 0.14 H new ATOM 0 HD11 LEU A 168 -9.774 4.007 0.372 1.00 0.54 H new ATOM 0 HD12 LEU A 168 -10.056 3.218 1.942 1.00 0.54 H new ATOM 0 HD13 LEU A 168 -9.338 4.845 1.881 1.00 0.54 H new ATOM 0 HD21 LEU A 168 -7.444 4.315 -0.471 1.00 0.46 H new ATOM 0 HD22 LEU A 168 -7.006 5.151 1.037 1.00 0.46 H new ATOM 0 HD23 LEU A 168 -6.064 3.743 0.495 1.00 0.46 H new ATOM 2380 N ARG A 169 -6.071 0.789 4.713 1.00 0.09 N ATOM 2381 CA ARG A 169 -5.610 0.494 6.100 1.00 0.10 C ATOM 2382 C ARG A 169 -4.171 -0.031 6.058 1.00 0.11 C ATOM 2383 O ARG A 169 -3.440 0.062 7.026 1.00 0.31 O ATOM 2384 CB ARG A 169 -6.523 -0.560 6.734 1.00 0.13 C ATOM 2385 CG ARG A 169 -6.403 -0.491 8.259 1.00 0.36 C ATOM 2386 CD ARG A 169 -7.181 0.720 8.780 1.00 1.84 C ATOM 2387 NE ARG A 169 -7.699 0.428 10.148 1.00 1.93 N ATOM 2388 CZ ARG A 169 -6.915 0.556 11.184 1.00 2.09 C ATOM 2389 NH1 ARG A 169 -6.324 1.697 11.418 1.00 3.48 N ATOM 2390 NH2 ARG A 169 -6.723 -0.454 11.988 1.00 1.22 N ATOM 0 H ARG A 169 -6.651 0.067 4.285 1.00 0.09 H new ATOM 0 HA ARG A 169 -5.647 1.406 6.696 1.00 0.10 H new ATOM 0 HB2 ARG A 169 -7.556 -0.390 6.432 1.00 0.13 H new ATOM 0 HB3 ARG A 169 -6.248 -1.554 6.382 1.00 0.13 H new ATOM 0 HG2 ARG A 169 -6.792 -1.406 8.706 1.00 0.36 H new ATOM 0 HG3 ARG A 169 -5.355 -0.415 8.549 1.00 0.36 H new ATOM 0 HD2 ARG A 169 -6.535 1.598 8.804 1.00 1.84 H new ATOM 0 HD3 ARG A 169 -8.008 0.951 8.108 1.00 1.84 H new ATOM 0 HE ARG A 169 -8.666 0.128 10.274 1.00 1.93 H new ATOM 0 HH11 ARG A 169 -6.475 2.488 10.791 1.00 3.48 H new ATOM 0 HH12 ARG A 169 -5.711 1.797 12.227 1.00 3.48 H new ATOM 0 HH21 ARG A 169 -7.186 -1.345 11.807 1.00 1.22 H new ATOM 0 HH22 ARG A 169 -6.110 -0.353 12.797 1.00 1.22 H new ATOM 2404 N SER A 170 -3.746 -0.558 4.938 1.00 0.12 N ATOM 2405 CA SER A 170 -2.356 -1.057 4.838 1.00 0.15 C ATOM 2406 C SER A 170 -1.490 0.121 4.436 1.00 0.14 C ATOM 2407 O SER A 170 -0.493 0.410 5.046 1.00 0.15 O ATOM 2408 CB SER A 170 -2.270 -2.153 3.773 1.00 0.19 C ATOM 2409 OG SER A 170 -3.434 -2.966 3.840 1.00 1.70 O ATOM 0 H SER A 170 -4.307 -0.661 4.092 1.00 0.12 H new ATOM 0 HA SER A 170 -2.025 -1.480 5.787 1.00 0.15 H new ATOM 0 HB2 SER A 170 -2.180 -1.707 2.782 1.00 0.19 H new ATOM 0 HB3 SER A 170 -1.379 -2.760 3.931 1.00 0.19 H new ATOM 0 HG SER A 170 -4.220 -2.432 3.600 1.00 1.70 H new ATOM 2415 N PHE A 171 -1.886 0.836 3.427 1.00 0.14 N ATOM 2416 CA PHE A 171 -1.093 2.017 3.015 1.00 0.13 C ATOM 2417 C PHE A 171 -0.872 2.908 4.238 1.00 0.11 C ATOM 2418 O PHE A 171 0.188 3.450 4.434 1.00 0.18 O ATOM 2419 CB PHE A 171 -1.843 2.775 1.920 1.00 0.13 C ATOM 2420 CG PHE A 171 -1.455 2.182 0.589 1.00 0.16 C ATOM 2421 CD1 PHE A 171 -1.812 0.863 0.287 1.00 0.34 C ATOM 2422 CD2 PHE A 171 -0.719 2.937 -0.329 1.00 0.58 C ATOM 2423 CE1 PHE A 171 -1.429 0.297 -0.934 1.00 0.29 C ATOM 2424 CE2 PHE A 171 -0.339 2.374 -1.552 1.00 0.63 C ATOM 2425 CZ PHE A 171 -0.691 1.054 -1.856 1.00 0.25 C ATOM 0 H PHE A 171 -2.722 0.654 2.872 1.00 0.14 H new ATOM 0 HA PHE A 171 -0.126 1.709 2.618 1.00 0.13 H new ATOM 0 HB2 PHE A 171 -2.919 2.697 2.072 1.00 0.13 H new ATOM 0 HB3 PHE A 171 -1.593 3.835 1.952 1.00 0.13 H new ATOM 0 HD1 PHE A 171 -2.383 0.282 0.996 1.00 0.34 H new ATOM 0 HD2 PHE A 171 -0.444 3.955 -0.094 1.00 0.58 H new ATOM 0 HE1 PHE A 171 -1.701 -0.722 -1.166 1.00 0.29 H new ATOM 0 HE2 PHE A 171 0.227 2.959 -2.262 1.00 0.63 H new ATOM 0 HZ PHE A 171 -0.395 0.619 -2.799 1.00 0.25 H new ATOM 2435 N LYS A 172 -1.858 3.024 5.085 1.00 0.13 N ATOM 2436 CA LYS A 172 -1.686 3.851 6.313 1.00 0.16 C ATOM 2437 C LYS A 172 -0.620 3.208 7.214 1.00 0.19 C ATOM 2438 O LYS A 172 0.437 3.765 7.434 1.00 0.19 O ATOM 2439 CB LYS A 172 -3.014 3.929 7.068 1.00 0.19 C ATOM 2440 CG LYS A 172 -4.002 4.787 6.275 1.00 1.18 C ATOM 2441 CD LYS A 172 -3.872 6.250 6.708 1.00 0.14 C ATOM 2442 CE LYS A 172 -4.233 6.381 8.190 1.00 1.25 C ATOM 2443 NZ LYS A 172 -2.992 6.584 8.989 1.00 2.54 N ATOM 0 H LYS A 172 -2.772 2.584 4.981 1.00 0.13 H new ATOM 0 HA LYS A 172 -1.370 4.856 6.034 1.00 0.16 H new ATOM 0 HB2 LYS A 172 -3.421 2.928 7.214 1.00 0.19 H new ATOM 0 HB3 LYS A 172 -2.857 4.357 8.058 1.00 0.19 H new ATOM 0 HG2 LYS A 172 -3.805 4.694 5.207 1.00 1.18 H new ATOM 0 HG3 LYS A 172 -5.020 4.436 6.443 1.00 1.18 H new ATOM 0 HD2 LYS A 172 -2.854 6.601 6.539 1.00 0.14 H new ATOM 0 HD3 LYS A 172 -4.529 6.878 6.106 1.00 0.14 H new ATOM 0 HE2 LYS A 172 -4.913 7.220 8.336 1.00 1.25 H new ATOM 0 HE3 LYS A 172 -4.754 5.485 8.529 1.00 1.25 H new ATOM 0 HZ1 LYS A 172 -3.055 6.039 9.873 1.00 2.54 H new ATOM 0 HZ2 LYS A 172 -2.169 6.260 8.441 1.00 2.54 H new ATOM 0 HZ3 LYS A 172 -2.884 7.594 9.212 1.00 2.54 H new ATOM 2457 N GLU A 173 -0.889 2.035 7.735 1.00 0.22 N ATOM 2458 CA GLU A 173 0.114 1.362 8.619 1.00 0.26 C ATOM 2459 C GLU A 173 1.325 0.928 7.790 1.00 0.22 C ATOM 2460 O GLU A 173 2.414 1.428 7.966 1.00 0.21 O ATOM 2461 CB GLU A 173 -0.520 0.128 9.268 1.00 0.34 C ATOM 2462 CG GLU A 173 -1.309 0.548 10.508 1.00 0.72 C ATOM 2463 CD GLU A 173 -2.795 0.265 10.286 1.00 2.33 C ATOM 2464 OE1 GLU A 173 -3.144 -0.897 10.157 1.00 2.66 O ATOM 2465 OE2 GLU A 173 -3.559 1.215 10.247 1.00 3.46 O ATOM 0 H GLU A 173 -1.755 1.517 7.587 1.00 0.22 H new ATOM 0 HA GLU A 173 0.434 2.060 9.393 1.00 0.26 H new ATOM 0 HB2 GLU A 173 -1.179 -0.371 8.557 1.00 0.34 H new ATOM 0 HB3 GLU A 173 0.254 -0.589 9.543 1.00 0.34 H new ATOM 0 HG2 GLU A 173 -0.951 0.004 11.382 1.00 0.72 H new ATOM 0 HG3 GLU A 173 -1.156 1.608 10.708 1.00 0.72 H new ATOM 2472 N PHE A 174 1.128 -0.009 6.896 1.00 0.23 N ATOM 2473 CA PHE A 174 2.237 -0.526 6.018 1.00 0.24 C ATOM 2474 C PHE A 174 3.231 0.587 5.636 1.00 0.16 C ATOM 2475 O PHE A 174 4.404 0.511 5.951 1.00 0.17 O ATOM 2476 CB PHE A 174 1.618 -1.098 4.739 1.00 0.29 C ATOM 2477 CG PHE A 174 2.521 -2.146 4.148 1.00 0.38 C ATOM 2478 CD1 PHE A 174 3.648 -1.762 3.416 1.00 1.11 C ATOM 2479 CD2 PHE A 174 2.227 -3.501 4.330 1.00 0.54 C ATOM 2480 CE1 PHE A 174 4.488 -2.737 2.864 1.00 1.19 C ATOM 2481 CE2 PHE A 174 3.066 -4.477 3.778 1.00 0.53 C ATOM 2482 CZ PHE A 174 4.196 -4.095 3.045 1.00 0.55 C ATOM 0 H PHE A 174 0.224 -0.451 6.730 1.00 0.23 H new ATOM 0 HA PHE A 174 2.784 -1.290 6.570 1.00 0.24 H new ATOM 0 HB2 PHE A 174 0.643 -1.531 4.961 1.00 0.29 H new ATOM 0 HB3 PHE A 174 1.455 -0.299 4.016 1.00 0.29 H new ATOM 0 HD1 PHE A 174 3.871 -0.715 3.276 1.00 1.11 H new ATOM 0 HD2 PHE A 174 1.355 -3.794 4.895 1.00 0.54 H new ATOM 0 HE1 PHE A 174 5.360 -2.442 2.299 1.00 1.19 H new ATOM 0 HE2 PHE A 174 2.841 -5.524 3.918 1.00 0.53 H new ATOM 0 HZ PHE A 174 4.843 -4.848 2.619 1.00 0.55 H new ATOM 2492 N LEU A 175 2.786 1.614 4.956 1.00 0.09 N ATOM 2493 CA LEU A 175 3.731 2.702 4.565 1.00 0.08 C ATOM 2494 C LEU A 175 4.327 3.337 5.823 1.00 0.04 C ATOM 2495 O LEU A 175 5.490 3.677 5.864 1.00 0.08 O ATOM 2496 CB LEU A 175 2.986 3.767 3.767 1.00 0.12 C ATOM 2497 CG LEU A 175 2.537 3.188 2.422 1.00 0.16 C ATOM 2498 CD1 LEU A 175 1.305 3.944 1.935 1.00 0.21 C ATOM 2499 CD2 LEU A 175 3.655 3.338 1.385 1.00 0.28 C ATOM 0 H LEU A 175 1.819 1.745 4.658 1.00 0.09 H new ATOM 0 HA LEU A 175 4.529 2.282 3.953 1.00 0.08 H new ATOM 0 HB2 LEU A 175 2.121 4.117 4.330 1.00 0.12 H new ATOM 0 HB3 LEU A 175 3.631 4.630 3.604 1.00 0.12 H new ATOM 0 HG LEU A 175 2.303 2.131 2.550 1.00 0.16 H new ATOM 0 HD11 LEU A 175 0.982 3.535 0.978 1.00 0.21 H new ATOM 0 HD12 LEU A 175 0.502 3.839 2.664 1.00 0.21 H new ATOM 0 HD13 LEU A 175 1.550 4.999 1.815 1.00 0.21 H new ATOM 0 HD21 LEU A 175 3.326 2.923 0.432 1.00 0.28 H new ATOM 0 HD22 LEU A 175 3.894 4.394 1.258 1.00 0.28 H new ATOM 0 HD23 LEU A 175 4.542 2.804 1.726 1.00 0.28 H new ATOM 2511 N GLN A 176 3.537 3.503 6.852 1.00 0.11 N ATOM 2512 CA GLN A 176 4.063 4.116 8.109 1.00 0.20 C ATOM 2513 C GLN A 176 5.353 3.402 8.529 1.00 0.13 C ATOM 2514 O GLN A 176 6.382 4.019 8.717 1.00 0.16 O ATOM 2515 CB GLN A 176 3.020 3.975 9.221 1.00 0.37 C ATOM 2516 CG GLN A 176 2.552 5.363 9.661 1.00 0.58 C ATOM 2517 CD GLN A 176 1.958 5.283 11.069 1.00 0.88 C ATOM 2518 OE1 GLN A 176 1.093 4.471 11.331 1.00 1.76 O ATOM 2519 NE2 GLN A 176 2.390 6.097 11.993 1.00 0.87 N ATOM 0 H GLN A 176 2.552 3.241 6.877 1.00 0.11 H new ATOM 0 HA GLN A 176 4.272 5.172 7.936 1.00 0.20 H new ATOM 0 HB2 GLN A 176 2.172 3.389 8.866 1.00 0.37 H new ATOM 0 HB3 GLN A 176 3.447 3.438 10.068 1.00 0.37 H new ATOM 0 HG2 GLN A 176 3.389 6.061 9.648 1.00 0.58 H new ATOM 0 HG3 GLN A 176 1.807 5.745 8.963 1.00 0.58 H new ATOM 0 HE21 GLN A 176 3.116 6.779 11.773 1.00 0.87 H new ATOM 0 HE22 GLN A 176 2.001 6.051 12.935 1.00 0.87 H new ATOM 2528 N SER A 177 5.305 2.106 8.672 1.00 0.16 N ATOM 2529 CA SER A 177 6.525 1.354 9.071 1.00 0.15 C ATOM 2530 C SER A 177 7.616 1.573 8.025 1.00 0.09 C ATOM 2531 O SER A 177 8.790 1.565 8.331 1.00 0.15 O ATOM 2532 CB SER A 177 6.195 -0.136 9.164 1.00 0.22 C ATOM 2533 OG SER A 177 5.426 -0.374 10.335 1.00 0.44 O ATOM 0 H SER A 177 4.471 1.536 8.529 1.00 0.16 H new ATOM 0 HA SER A 177 6.875 1.708 10.041 1.00 0.15 H new ATOM 0 HB2 SER A 177 5.641 -0.453 8.280 1.00 0.22 H new ATOM 0 HB3 SER A 177 7.113 -0.723 9.192 1.00 0.22 H new ATOM 0 HG SER A 177 5.821 -1.114 10.841 1.00 0.44 H new ATOM 2539 N SER A 178 7.239 1.773 6.792 1.00 0.07 N ATOM 2540 CA SER A 178 8.262 1.998 5.732 1.00 0.17 C ATOM 2541 C SER A 178 9.023 3.295 6.027 1.00 0.16 C ATOM 2542 O SER A 178 10.203 3.407 5.764 1.00 0.24 O ATOM 2543 CB SER A 178 7.571 2.114 4.372 1.00 0.24 C ATOM 2544 OG SER A 178 8.555 2.264 3.358 1.00 0.93 O ATOM 0 H SER A 178 6.270 1.790 6.473 1.00 0.07 H new ATOM 0 HA SER A 178 8.959 1.160 5.716 1.00 0.17 H new ATOM 0 HB2 SER A 178 6.967 1.227 4.181 1.00 0.24 H new ATOM 0 HB3 SER A 178 6.893 2.968 4.367 1.00 0.24 H new ATOM 0 HG SER A 178 8.119 2.496 2.511 1.00 0.93 H new ATOM 2550 N LEU A 179 8.351 4.274 6.571 1.00 0.14 N ATOM 2551 CA LEU A 179 9.026 5.568 6.880 1.00 0.17 C ATOM 2552 C LEU A 179 9.908 5.413 8.124 1.00 0.15 C ATOM 2553 O LEU A 179 11.077 5.738 8.111 1.00 0.09 O ATOM 2554 CB LEU A 179 7.967 6.640 7.146 1.00 0.21 C ATOM 2555 CG LEU A 179 7.717 7.440 5.867 1.00 0.44 C ATOM 2556 CD1 LEU A 179 6.293 7.180 5.374 1.00 0.66 C ATOM 2557 CD2 LEU A 179 7.891 8.932 6.157 1.00 0.72 C ATOM 0 H LEU A 179 7.362 4.233 6.815 1.00 0.14 H new ATOM 0 HA LEU A 179 9.646 5.860 6.032 1.00 0.17 H new ATOM 0 HB2 LEU A 179 7.041 6.175 7.483 1.00 0.21 H new ATOM 0 HB3 LEU A 179 8.299 7.304 7.944 1.00 0.21 H new ATOM 0 HG LEU A 179 8.429 7.133 5.101 1.00 0.44 H new ATOM 0 HD11 LEU A 179 6.114 7.750 4.462 1.00 0.66 H new ATOM 0 HD12 LEU A 179 6.168 6.117 5.168 1.00 0.66 H new ATOM 0 HD13 LEU A 179 5.581 7.488 6.140 1.00 0.66 H new ATOM 0 HD21 LEU A 179 7.713 9.503 5.246 1.00 0.72 H new ATOM 0 HD22 LEU A 179 7.179 9.239 6.923 1.00 0.72 H new ATOM 0 HD23 LEU A 179 8.905 9.118 6.509 1.00 0.72 H new ATOM 2569 N ARG A 180 9.352 4.931 9.203 1.00 0.23 N ATOM 2570 CA ARG A 180 10.152 4.770 10.451 1.00 0.22 C ATOM 2571 C ARG A 180 11.337 3.831 10.202 1.00 0.22 C ATOM 2572 O ARG A 180 12.340 3.889 10.889 1.00 0.25 O ATOM 2573 CB ARG A 180 9.263 4.184 11.552 1.00 0.17 C ATOM 2574 CG ARG A 180 8.518 5.317 12.262 1.00 0.71 C ATOM 2575 CD ARG A 180 7.326 4.748 13.034 1.00 1.15 C ATOM 2576 NE ARG A 180 6.830 5.768 13.998 1.00 1.57 N ATOM 2577 CZ ARG A 180 6.501 5.417 15.212 1.00 1.44 C ATOM 2578 NH1 ARG A 180 7.289 4.641 15.905 1.00 1.10 N ATOM 2579 NH2 ARG A 180 5.383 5.844 15.733 1.00 2.48 N ATOM 0 H ARG A 180 8.377 4.641 9.274 1.00 0.23 H new ATOM 0 HA ARG A 180 10.529 5.745 10.759 1.00 0.22 H new ATOM 0 HB2 ARG A 180 8.551 3.479 11.123 1.00 0.17 H new ATOM 0 HB3 ARG A 180 9.870 3.629 12.267 1.00 0.17 H new ATOM 0 HG2 ARG A 180 9.191 5.836 12.945 1.00 0.71 H new ATOM 0 HG3 ARG A 180 8.174 6.051 11.534 1.00 0.71 H new ATOM 0 HD2 ARG A 180 6.531 4.468 12.343 1.00 1.15 H new ATOM 0 HD3 ARG A 180 7.621 3.843 13.565 1.00 1.15 H new ATOM 0 HE ARG A 180 6.747 6.743 13.710 1.00 1.57 H new ATOM 0 HH11 ARG A 180 8.163 4.308 15.498 1.00 1.10 H new ATOM 0 HH12 ARG A 180 7.031 4.368 16.853 1.00 1.10 H new ATOM 0 HH21 ARG A 180 4.767 6.451 15.192 1.00 2.48 H new ATOM 0 HH22 ARG A 180 5.125 5.570 16.681 1.00 2.48 H new ATOM 2593 N ALA A 181 11.237 2.968 9.228 1.00 0.21 N ATOM 2594 CA ALA A 181 12.359 2.035 8.949 1.00 0.24 C ATOM 2595 C ALA A 181 13.395 2.735 8.074 1.00 0.27 C ATOM 2596 O ALA A 181 14.578 2.488 8.180 1.00 0.29 O ATOM 2597 CB ALA A 181 11.828 0.799 8.222 1.00 0.21 C ATOM 0 H ALA A 181 10.427 2.871 8.616 1.00 0.21 H new ATOM 0 HA ALA A 181 12.821 1.731 9.888 1.00 0.24 H new ATOM 0 HB1 ALA A 181 12.652 0.115 8.018 1.00 0.21 H new ATOM 0 HB2 ALA A 181 11.088 0.299 8.847 1.00 0.21 H new ATOM 0 HB3 ALA A 181 11.365 1.100 7.282 1.00 0.21 H new ATOM 2603 N LEU A 182 12.961 3.605 7.206 1.00 0.30 N ATOM 2604 CA LEU A 182 13.930 4.313 6.327 1.00 0.34 C ATOM 2605 C LEU A 182 14.612 5.439 7.111 1.00 0.50 C ATOM 2606 O LEU A 182 15.660 5.924 6.731 1.00 0.81 O ATOM 2607 CB LEU A 182 13.197 4.892 5.115 1.00 0.27 C ATOM 2608 CG LEU A 182 13.681 4.184 3.849 1.00 0.25 C ATOM 2609 CD1 LEU A 182 12.753 3.010 3.529 1.00 0.54 C ATOM 2610 CD2 LEU A 182 13.680 5.170 2.679 1.00 0.72 C ATOM 0 H LEU A 182 11.982 3.855 7.068 1.00 0.30 H new ATOM 0 HA LEU A 182 14.688 3.608 5.984 1.00 0.34 H new ATOM 0 HB2 LEU A 182 12.121 4.762 5.230 1.00 0.27 H new ATOM 0 HB3 LEU A 182 13.383 5.963 5.040 1.00 0.27 H new ATOM 0 HG LEU A 182 14.693 3.811 4.009 1.00 0.25 H new ATOM 0 HD11 LEU A 182 13.100 2.507 2.626 1.00 0.54 H new ATOM 0 HD12 LEU A 182 12.757 2.306 4.361 1.00 0.54 H new ATOM 0 HD13 LEU A 182 11.740 3.380 3.371 1.00 0.54 H new ATOM 0 HD21 LEU A 182 14.025 4.665 1.777 1.00 0.72 H new ATOM 0 HD22 LEU A 182 12.669 5.545 2.520 1.00 0.72 H new ATOM 0 HD23 LEU A 182 14.345 6.003 2.905 1.00 0.72 H new ATOM 2622 N ARG A 183 14.034 5.855 8.206 1.00 0.32 N ATOM 2623 CA ARG A 183 14.659 6.941 9.011 1.00 0.44 C ATOM 2624 C ARG A 183 15.630 6.317 10.015 1.00 0.52 C ATOM 2625 O ARG A 183 16.680 6.860 10.296 1.00 0.63 O ATOM 2626 CB ARG A 183 13.574 7.719 9.760 1.00 0.40 C ATOM 2627 CG ARG A 183 13.377 9.086 9.098 1.00 1.17 C ATOM 2628 CD ARG A 183 11.999 9.639 9.462 1.00 1.93 C ATOM 2629 NE ARG A 183 12.036 11.128 9.418 1.00 2.06 N ATOM 2630 CZ ARG A 183 12.704 11.791 10.321 1.00 1.33 C ATOM 2631 NH1 ARG A 183 12.554 11.500 11.585 1.00 1.14 N ATOM 2632 NH2 ARG A 183 13.519 12.745 9.965 1.00 1.79 N ATOM 0 H ARG A 183 13.157 5.489 8.577 1.00 0.32 H new ATOM 0 HA ARG A 183 15.196 7.625 8.353 1.00 0.44 H new ATOM 0 HB2 ARG A 183 12.638 7.160 9.750 1.00 0.40 H new ATOM 0 HB3 ARG A 183 13.858 7.846 10.805 1.00 0.40 H new ATOM 0 HG2 ARG A 183 14.155 9.776 9.426 1.00 1.17 H new ATOM 0 HG3 ARG A 183 13.469 8.994 8.016 1.00 1.17 H new ATOM 0 HD2 ARG A 183 11.249 9.262 8.767 1.00 1.93 H new ATOM 0 HD3 ARG A 183 11.710 9.301 10.457 1.00 1.93 H new ATOM 0 HE ARG A 183 11.539 11.629 8.682 1.00 2.06 H new ATOM 0 HH11 ARG A 183 11.915 10.755 11.865 1.00 1.14 H new ATOM 0 HH12 ARG A 183 13.075 12.017 12.293 1.00 1.14 H new ATOM 0 HH21 ARG A 183 13.635 12.974 8.978 1.00 1.79 H new ATOM 0 HH22 ARG A 183 14.040 13.262 10.674 1.00 1.79 H new ATOM 2646 N GLN A 184 15.290 5.176 10.551 1.00 0.55 N ATOM 2647 CA GLN A 184 16.197 4.514 11.529 1.00 0.67 C ATOM 2648 C GLN A 184 17.311 3.790 10.767 1.00 0.59 C ATOM 2649 O GLN A 184 18.389 3.567 11.283 1.00 0.73 O ATOM 2650 CB GLN A 184 15.406 3.495 12.355 1.00 0.81 C ATOM 2651 CG GLN A 184 14.147 4.155 12.924 1.00 1.26 C ATOM 2652 CD GLN A 184 14.456 4.735 14.305 1.00 1.64 C ATOM 2653 OE1 GLN A 184 14.158 4.125 15.313 1.00 1.56 O ATOM 2654 NE2 GLN A 184 15.044 5.896 14.395 1.00 2.75 N ATOM 0 H GLN A 184 14.424 4.675 10.353 1.00 0.55 H new ATOM 0 HA GLN A 184 16.627 5.263 12.194 1.00 0.67 H new ATOM 0 HB2 GLN A 184 15.132 2.643 11.733 1.00 0.81 H new ATOM 0 HB3 GLN A 184 16.025 3.111 13.166 1.00 0.81 H new ATOM 0 HG2 GLN A 184 13.803 4.944 12.255 1.00 1.26 H new ATOM 0 HG3 GLN A 184 13.341 3.424 12.996 1.00 1.26 H new ATOM 0 HE21 GLN A 184 15.294 6.408 13.549 1.00 2.75 H new ATOM 0 HE22 GLN A 184 15.254 6.292 15.311 1.00 2.75 H new ATOM 2663 N MET A 185 17.053 3.420 9.542 1.00 0.44 N ATOM 2664 CA MET A 185 18.087 2.707 8.738 1.00 0.43 C ATOM 2665 C MET A 185 19.380 3.525 8.720 1.00 0.31 C ATOM 2666 O MET A 185 20.440 2.921 8.684 1.00 1.10 O ATOM 2667 CB MET A 185 17.577 2.526 7.306 1.00 0.80 C ATOM 2668 CG MET A 185 16.995 1.120 7.144 1.00 0.26 C ATOM 2669 SD MET A 185 16.536 0.856 5.414 1.00 0.64 S ATOM 2670 CE MET A 185 14.888 0.174 5.717 1.00 0.49 C ATOM 2671 OXT MET A 185 19.288 4.742 8.740 1.00 1.47 O ATOM 0 H MET A 185 16.168 3.581 9.062 1.00 0.44 H new ATOM 0 HA MET A 185 18.285 1.732 9.183 1.00 0.43 H new ATOM 0 HB2 MET A 185 16.816 3.274 7.083 1.00 0.80 H new ATOM 0 HB3 MET A 185 18.391 2.678 6.597 1.00 0.80 H new ATOM 0 HG2 MET A 185 17.726 0.374 7.456 1.00 0.26 H new ATOM 0 HG3 MET A 185 16.122 0.999 7.786 1.00 0.26 H new ATOM 0 HE1 MET A 185 14.536 -0.337 4.821 1.00 0.49 H new ATOM 0 HE2 MET A 185 14.934 -0.534 6.545 1.00 0.49 H new ATOM 0 HE3 MET A 185 14.200 0.982 5.968 1.00 0.49 H new