USER MOD reduce.3.24.130724 H: found=0, std=0, add=1051, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 1051 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 10 SER OG : rot -114:sc= 0.944 USER MOD Set 1.2: A 105 LYS NZ :NH3+ -173:sc= 2.24 (180deg=0) USER MOD Set 1.3: A 120 GLN : amide:sc= 0.853 K(o=4,f=-8.8!) USER MOD Set 2.1: A 106 LYS NZ :NH3+ -165:sc= -1.48 (180deg=-1.97!) USER MOD Set 2.2: A 107 ASN : amide:sc= 0.118 K(o=-1.4,f=-9.2!) USER MOD Set 3.1: A 88 ASN : amide:sc= 0.998 K(o=2.1,f=-0.23!) USER MOD Set 3.2: A 90 TYR OH : rot 26:sc= 1.07 USER MOD Set 4.1: A 57 TYR OH : rot -43:sc= 0.00203 USER MOD Set 4.2: A 73 ASN : amide:sc= -1.02! K(o=-1!,f=-2.3) USER MOD Set 5.1: A 1 TYR N :NH3+ -164:sc= 1.99 (180deg=0.614) USER MOD Set 5.2: A 132 SER OG : rot 180:sc= 1.03 USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0217) USER MOD Single : A 3 LYS NZ :NH3+ 169:sc= -0.0177 (180deg=-0.152) USER MOD Single : A 5 LYS NZ :NH3+ -167:sc= 0.227 (180deg=0.158) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot -167:sc= -2.89! USER MOD Single : A 11 ASN : amide:sc= -0.0086 K(o=-0.0086,f=-0.94) USER MOD Single : A 14 HIS : no HE2:sc= 0.442 K(o=0.44,f=-3.8!) USER MOD Single : A 23 THR OG1 : rot -74:sc= 0.41 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 34 HIS : no HE2:sc= 0.259 K(o=0.26,f=-5.7!) USER MOD Single : A 36 GLN :FLIP amide:sc= -0.086 F(o=-0.92,f=-0.086) USER MOD Single : A 38 GLN : amide:sc= -0.626 K(o=-0.63,f=-1.5) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 149:sc= 0.745 USER MOD Single : A 48 TYR OH : rot 5:sc= -2.6! USER MOD Single : A 50 LYS NZ :NH3+ -154:sc= 1.26 (180deg=0.813) USER MOD Single : A 51 SER OG : rot 180:sc= 0.778 USER MOD Single : A 52 THR OG1 : rot 87:sc= 0.42 USER MOD Single : A 54 THR OG1 : rot -153:sc= 0.397 USER MOD Single : A 56 GLN :FLIP amide:sc= -9.31! C(o=-12!,f=-9.3!) USER MOD Single : A 60 MET CE :methyl 135:sc= -4.91! (180deg=-7!) USER MOD Single : A 62 THR OG1 : rot -51:sc= 0.705 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -19:sc= 0.575 USER MOD Single : A 70 GLN : amide:sc= -3.85! C(o=-3.9!,f=-7.1!) USER MOD Single : A 71 THR OG1 : rot 62:sc= 0.43 USER MOD Single : A 76 CYS SG : rot 152:sc= 1.25 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 148:sc= 1.33 USER MOD Single : A 93 LYS NZ :NH3+ -110:sc= 0.874 (180deg=0.0638) USER MOD Single : A 94 LYS NZ :NH3+ -157:sc= -0.0874 (180deg=-0.415) USER MOD Single : A 95 HIS : no HD1:sc= -10.8! C(o=-11!,f=-12!) USER MOD Single : A 98 LYS NZ :NH3+ -160:sc= 1.19 (180deg=0.536) USER MOD Single : A 99 ASN : amide:sc= -0.613 X(o=-0.61,f=-0.23) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot -97:sc= -11.6! USER MOD Single : A 111 LYS NZ :NH3+ 158:sc= -0.136 (180deg=-0.635) USER MOD Single : A 116 THR OG1 : rot -119:sc= 1.09 USER MOD Single : A 117 HIS : no HD1:sc= -0.0158 X(o=-0.016,f=0) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ -156:sc= -0.0982 (180deg=-0.48) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 17.090 -6.603 7.399 1.00 2.41 N ATOM 2 CA TYR A 1 17.923 -5.378 7.377 1.00 2.09 C ATOM 3 C TYR A 1 17.117 -4.214 7.934 1.00 2.03 C ATOM 4 O TYR A 1 17.362 -3.746 9.047 1.00 2.57 O ATOM 5 CB TYR A 1 18.401 -5.088 5.945 1.00 2.90 C ATOM 6 CG TYR A 1 19.187 -3.806 5.782 1.00 3.87 C ATOM 7 CD1 TYR A 1 20.273 -3.533 6.604 1.00 4.74 C ATOM 8 CD2 TYR A 1 18.846 -2.871 4.813 1.00 4.39 C ATOM 9 CE1 TYR A 1 20.997 -2.367 6.467 1.00 5.86 C ATOM 10 CE2 TYR A 1 19.567 -1.702 4.669 1.00 5.57 C ATOM 11 CZ TYR A 1 20.621 -1.446 5.466 1.00 6.21 C ATOM 12 OH TYR A 1 21.361 -0.293 5.356 1.00 7.47 O ATOM 0 H1 TYR A 1 17.698 -7.439 7.282 1.00 2.41 H new ATOM 0 H2 TYR A 1 16.587 -6.665 8.307 1.00 2.41 H new ATOM 0 H3 TYR A 1 16.399 -6.567 6.623 1.00 2.41 H new ATOM 0 HA TYR A 1 18.806 -5.521 8.000 1.00 2.09 H new ATOM 0 HB2 TYR A 1 19.019 -5.921 5.608 1.00 2.90 H new ATOM 0 HB3 TYR A 1 17.532 -5.050 5.288 1.00 2.90 H new ATOM 0 HD1 TYR A 1 20.556 -4.246 7.364 1.00 4.74 H new ATOM 0 HD2 TYR A 1 18.005 -3.061 4.163 1.00 4.39 H new ATOM 0 HE1 TYR A 1 21.837 -2.162 7.114 1.00 5.86 H new ATOM 0 HE2 TYR A 1 19.283 -0.987 3.911 1.00 5.57 H new ATOM 0 HH TYR A 1 21.002 0.258 4.629 1.00 7.47 H new ATOM 24 N LYS A 2 16.150 -3.751 7.164 1.00 2.03 N ATOM 25 CA LYS A 2 15.155 -2.829 7.674 1.00 2.09 C ATOM 26 C LYS A 2 13.839 -3.572 7.773 1.00 1.28 C ATOM 27 O LYS A 2 13.520 -4.388 6.914 1.00 1.83 O ATOM 28 CB LYS A 2 14.997 -1.617 6.746 1.00 3.32 C ATOM 29 CG LYS A 2 15.807 -0.386 7.140 1.00 4.26 C ATOM 30 CD LYS A 2 17.302 -0.657 7.172 1.00 5.27 C ATOM 31 CE LYS A 2 18.114 0.619 6.977 1.00 6.31 C ATOM 32 NZ LYS A 2 17.818 1.653 8.004 1.00 6.96 N ATOM 0 H LYS A 2 16.033 -3.999 6.182 1.00 2.03 H new ATOM 0 HA LYS A 2 15.468 -2.460 8.651 1.00 2.09 H new ATOM 0 HB2 LYS A 2 15.284 -1.913 5.737 1.00 3.32 H new ATOM 0 HB3 LYS A 2 13.943 -1.342 6.710 1.00 3.32 H new ATOM 0 HG2 LYS A 2 15.602 0.420 6.435 1.00 4.26 H new ATOM 0 HG3 LYS A 2 15.483 -0.041 8.122 1.00 4.26 H new ATOM 0 HD2 LYS A 2 17.568 -1.115 8.125 1.00 5.27 H new ATOM 0 HD3 LYS A 2 17.558 -1.374 6.392 1.00 5.27 H new ATOM 0 HE2 LYS A 2 19.176 0.377 7.008 1.00 6.31 H new ATOM 0 HE3 LYS A 2 17.909 1.027 5.987 1.00 6.31 H new ATOM 0 HZ1 LYS A 2 18.468 2.456 7.885 1.00 6.96 H new ATOM 0 HZ2 LYS A 2 16.837 1.981 7.893 1.00 6.96 H new ATOM 0 HZ3 LYS A 2 17.942 1.245 8.953 1.00 6.96 H new ATOM 46 N LYS A 3 13.078 -3.300 8.810 1.00 0.93 N ATOM 47 CA LYS A 3 11.797 -3.957 8.980 1.00 0.96 C ATOM 48 C LYS A 3 10.666 -3.290 8.190 1.00 0.78 C ATOM 49 O LYS A 3 9.609 -3.906 8.037 1.00 1.17 O ATOM 50 CB LYS A 3 11.431 -4.083 10.450 1.00 1.91 C ATOM 51 CG LYS A 3 12.284 -5.107 11.181 1.00 2.62 C ATOM 52 CD LYS A 3 12.223 -6.461 10.483 1.00 3.43 C ATOM 53 CE LYS A 3 13.091 -7.501 11.172 1.00 4.25 C ATOM 54 NZ LYS A 3 12.670 -7.731 12.577 1.00 4.81 N ATOM 0 H LYS A 3 13.319 -2.634 9.544 1.00 0.93 H new ATOM 0 HA LYS A 3 11.915 -4.958 8.565 1.00 0.96 H new ATOM 0 HB2 LYS A 3 11.543 -3.112 10.933 1.00 1.91 H new ATOM 0 HB3 LYS A 3 10.381 -4.363 10.536 1.00 1.91 H new ATOM 0 HG2 LYS A 3 13.317 -4.762 11.225 1.00 2.62 H new ATOM 0 HG3 LYS A 3 11.938 -5.207 12.210 1.00 2.62 H new ATOM 0 HD2 LYS A 3 11.191 -6.810 10.460 1.00 3.43 H new ATOM 0 HD3 LYS A 3 12.545 -6.349 9.448 1.00 3.43 H new ATOM 0 HE2 LYS A 3 13.041 -8.439 10.620 1.00 4.25 H new ATOM 0 HE3 LYS A 3 14.131 -7.176 11.153 1.00 4.25 H new ATOM 0 HZ1 LYS A 3 13.157 -8.570 12.953 1.00 4.81 H new ATOM 0 HZ2 LYS A 3 12.915 -6.901 13.153 1.00 4.81 H new ATOM 0 HZ3 LYS A 3 11.642 -7.884 12.611 1.00 4.81 H new ATOM 68 N PRO A 4 10.813 -2.013 7.740 1.00 0.45 N ATOM 69 CA PRO A 4 9.986 -1.466 6.672 1.00 0.41 C ATOM 70 C PRO A 4 9.660 -2.501 5.600 1.00 0.39 C ATOM 71 O PRO A 4 10.547 -3.184 5.079 1.00 0.53 O ATOM 72 CB PRO A 4 10.882 -0.377 6.089 1.00 0.59 C ATOM 73 CG PRO A 4 11.673 0.130 7.249 1.00 0.72 C ATOM 74 CD PRO A 4 11.692 -0.963 8.293 1.00 0.80 C ATOM 0 HA PRO A 4 9.019 -1.116 7.034 1.00 0.41 H new ATOM 0 HB2 PRO A 4 11.533 -0.775 5.311 1.00 0.59 H new ATOM 0 HB3 PRO A 4 10.292 0.419 5.635 1.00 0.59 H new ATOM 0 HG2 PRO A 4 12.687 0.384 6.941 1.00 0.72 H new ATOM 0 HG3 PRO A 4 11.225 1.038 7.652 1.00 0.72 H new ATOM 0 HD2 PRO A 4 12.702 -1.337 8.459 1.00 0.80 H new ATOM 0 HD3 PRO A 4 11.324 -0.602 9.253 1.00 0.80 H new ATOM 82 N LYS A 5 8.385 -2.619 5.290 1.00 0.38 N ATOM 83 CA LYS A 5 7.930 -3.514 4.252 1.00 0.38 C ATOM 84 C LYS A 5 7.925 -2.789 2.921 1.00 0.35 C ATOM 85 O LYS A 5 7.856 -1.562 2.864 1.00 0.40 O ATOM 86 CB LYS A 5 6.516 -4.039 4.549 1.00 0.44 C ATOM 87 CG LYS A 5 6.457 -5.177 5.560 1.00 1.16 C ATOM 88 CD LYS A 5 6.815 -4.717 6.962 1.00 1.64 C ATOM 89 CE LYS A 5 6.805 -5.875 7.944 1.00 2.57 C ATOM 90 NZ LYS A 5 7.250 -5.453 9.297 1.00 3.33 N ATOM 0 H LYS A 5 7.639 -2.098 5.750 1.00 0.38 H new ATOM 0 HA LYS A 5 8.612 -4.363 4.214 1.00 0.38 H new ATOM 0 HB2 LYS A 5 5.907 -3.213 4.916 1.00 0.44 H new ATOM 0 HB3 LYS A 5 6.066 -4.377 3.616 1.00 0.44 H new ATOM 0 HG2 LYS A 5 5.455 -5.605 5.565 1.00 1.16 H new ATOM 0 HG3 LYS A 5 7.140 -5.969 5.254 1.00 1.16 H new ATOM 0 HD2 LYS A 5 7.801 -4.253 6.954 1.00 1.64 H new ATOM 0 HD3 LYS A 5 6.107 -3.955 7.288 1.00 1.64 H new ATOM 0 HE2 LYS A 5 5.800 -6.291 8.005 1.00 2.57 H new ATOM 0 HE3 LYS A 5 7.457 -6.668 7.578 1.00 2.57 H new ATOM 0 HZ1 LYS A 5 7.442 -6.294 9.878 1.00 3.33 H new ATOM 0 HZ2 LYS A 5 8.117 -4.884 9.216 1.00 3.33 H new ATOM 0 HZ3 LYS A 5 6.504 -4.885 9.746 1.00 3.33 H new ATOM 104 N LEU A 6 8.021 -3.558 1.866 1.00 0.35 N ATOM 105 CA LEU A 6 7.913 -3.043 0.523 1.00 0.37 C ATOM 106 C LEU A 6 6.510 -3.269 0.003 1.00 0.37 C ATOM 107 O LEU A 6 5.863 -4.253 0.359 1.00 0.46 O ATOM 108 CB LEU A 6 8.904 -3.756 -0.388 1.00 0.51 C ATOM 109 CG LEU A 6 8.640 -3.573 -1.873 1.00 0.64 C ATOM 110 CD1 LEU A 6 9.622 -2.593 -2.470 1.00 1.24 C ATOM 111 CD2 LEU A 6 8.682 -4.911 -2.588 1.00 1.49 C ATOM 0 H LEU A 6 8.177 -4.565 1.914 1.00 0.35 H new ATOM 0 HA LEU A 6 8.134 -1.976 0.535 1.00 0.37 H new ATOM 0 HB2 LEU A 6 9.908 -3.396 -0.163 1.00 0.51 H new ATOM 0 HB3 LEU A 6 8.888 -4.821 -0.158 1.00 0.51 H new ATOM 0 HG LEU A 6 7.640 -3.158 -2.003 1.00 0.64 H new ATOM 0 HD11 LEU A 6 9.417 -2.475 -3.534 1.00 1.24 H new ATOM 0 HD12 LEU A 6 9.522 -1.629 -1.972 1.00 1.24 H new ATOM 0 HD13 LEU A 6 10.637 -2.967 -2.335 1.00 1.24 H new ATOM 0 HD21 LEU A 6 8.491 -4.762 -3.651 1.00 1.49 H new ATOM 0 HD22 LEU A 6 9.665 -5.363 -2.456 1.00 1.49 H new ATOM 0 HD23 LEU A 6 7.920 -5.570 -2.171 1.00 1.49 H new ATOM 123 N LEU A 7 6.041 -2.368 -0.834 1.00 0.36 N ATOM 124 CA LEU A 7 4.739 -2.534 -1.441 1.00 0.39 C ATOM 125 C LEU A 7 4.854 -2.922 -2.896 1.00 0.41 C ATOM 126 O LEU A 7 5.238 -2.102 -3.735 1.00 0.58 O ATOM 127 CB LEU A 7 3.915 -1.252 -1.353 1.00 0.55 C ATOM 128 CG LEU A 7 2.534 -1.332 -2.020 1.00 0.59 C ATOM 129 CD1 LEU A 7 1.469 -0.881 -1.037 1.00 1.53 C ATOM 130 CD2 LEU A 7 2.485 -0.494 -3.301 1.00 1.25 C ATOM 0 H LEU A 7 6.537 -1.520 -1.108 1.00 0.36 H new ATOM 0 HA LEU A 7 4.241 -3.330 -0.887 1.00 0.39 H new ATOM 0 HB2 LEU A 7 3.782 -0.993 -0.303 1.00 0.55 H new ATOM 0 HB3 LEU A 7 4.479 -0.441 -1.813 1.00 0.55 H new ATOM 0 HG LEU A 7 2.343 -2.367 -2.303 1.00 0.59 H new ATOM 0 HD11 LEU A 7 0.489 -0.938 -1.511 1.00 1.53 H new ATOM 0 HD12 LEU A 7 1.486 -1.528 -0.160 1.00 1.53 H new ATOM 0 HD13 LEU A 7 1.666 0.147 -0.733 1.00 1.53 H new ATOM 0 HD21 LEU A 7 1.494 -0.572 -3.749 1.00 1.25 H new ATOM 0 HD22 LEU A 7 2.694 0.549 -3.062 1.00 1.25 H new ATOM 0 HD23 LEU A 7 3.231 -0.862 -4.005 1.00 1.25 H new ATOM 142 N TYR A 8 4.557 -4.168 -3.209 1.00 0.50 N ATOM 143 CA TYR A 8 4.167 -4.465 -4.556 1.00 0.71 C ATOM 144 C TYR A 8 2.824 -5.160 -4.577 1.00 0.44 C ATOM 145 O TYR A 8 2.732 -6.359 -4.336 1.00 0.73 O ATOM 146 CB TYR A 8 5.213 -5.303 -5.289 1.00 1.29 C ATOM 147 CG TYR A 8 5.539 -6.670 -4.728 1.00 1.60 C ATOM 148 CD1 TYR A 8 6.160 -6.832 -3.499 1.00 2.21 C ATOM 149 CD2 TYR A 8 5.237 -7.809 -5.465 1.00 1.84 C ATOM 150 CE1 TYR A 8 6.468 -8.091 -3.019 1.00 2.93 C ATOM 151 CE2 TYR A 8 5.543 -9.065 -4.996 1.00 2.43 C ATOM 152 CZ TYR A 8 6.157 -9.203 -3.773 1.00 2.96 C ATOM 153 OH TYR A 8 6.463 -10.461 -3.310 1.00 3.74 O ATOM 0 H TYR A 8 4.579 -4.961 -2.568 1.00 0.50 H new ATOM 0 HA TYR A 8 4.085 -3.515 -5.085 1.00 0.71 H new ATOM 0 HB2 TYR A 8 4.877 -5.434 -6.318 1.00 1.29 H new ATOM 0 HB3 TYR A 8 6.138 -4.727 -5.327 1.00 1.29 H new ATOM 0 HD1 TYR A 8 6.407 -5.962 -2.908 1.00 2.21 H new ATOM 0 HD2 TYR A 8 4.753 -7.706 -6.425 1.00 1.84 H new ATOM 0 HE1 TYR A 8 6.950 -8.203 -2.059 1.00 2.93 H new ATOM 0 HE2 TYR A 8 5.303 -9.938 -5.585 1.00 2.43 H new ATOM 0 HH TYR A 8 6.174 -11.130 -3.965 1.00 3.74 H new ATOM 163 N CYS A 9 1.759 -4.421 -4.866 1.00 0.63 N ATOM 164 CA CYS A 9 0.493 -5.101 -5.025 1.00 0.75 C ATOM 165 C CYS A 9 -0.164 -4.811 -6.365 1.00 1.05 C ATOM 166 O CYS A 9 -1.056 -3.982 -6.498 1.00 1.99 O ATOM 167 CB CYS A 9 -0.406 -4.621 -3.903 1.00 1.57 C ATOM 168 SG CYS A 9 0.521 -4.117 -2.431 1.00 2.64 S ATOM 0 H CYS A 9 1.747 -3.408 -4.988 1.00 0.63 H new ATOM 0 HA CYS A 9 0.658 -6.178 -4.991 1.00 0.75 H new ATOM 0 HB2 CYS A 9 -1.004 -3.781 -4.256 1.00 1.57 H new ATOM 0 HB3 CYS A 9 -1.101 -5.416 -3.635 1.00 1.57 H new ATOM 0 HG CYS A 9 -0.296 -3.982 -1.429 1.00 2.64 H new ATOM 174 N SER A 10 0.354 -5.473 -7.357 1.00 0.83 N ATOM 175 CA SER A 10 -0.340 -6.050 -8.481 1.00 1.29 C ATOM 176 C SER A 10 0.389 -7.369 -8.612 1.00 0.84 C ATOM 177 O SER A 10 1.551 -7.398 -8.189 1.00 1.34 O ATOM 178 CB SER A 10 -0.213 -5.169 -9.732 1.00 2.36 C ATOM 179 OG SER A 10 -1.167 -5.515 -10.728 1.00 3.16 O ATOM 0 H SER A 10 1.359 -5.640 -7.409 1.00 0.83 H new ATOM 0 HA SER A 10 -1.418 -6.155 -8.356 1.00 1.29 H new ATOM 0 HB2 SER A 10 -0.343 -4.123 -9.453 1.00 2.36 H new ATOM 0 HB3 SER A 10 0.792 -5.267 -10.143 1.00 2.36 H new ATOM 0 HG SER A 10 -0.704 -5.874 -11.514 1.00 3.16 H new ATOM 185 N ASN A 11 -0.141 -8.445 -9.149 1.00 1.45 N ATOM 186 CA ASN A 11 0.779 -9.561 -9.317 1.00 1.79 C ATOM 187 C ASN A 11 1.629 -9.275 -10.555 1.00 1.40 C ATOM 188 O ASN A 11 1.193 -9.456 -11.690 1.00 1.83 O ATOM 189 CB ASN A 11 0.027 -10.887 -9.469 1.00 2.89 C ATOM 190 CG ASN A 11 0.965 -12.078 -9.489 1.00 3.45 C ATOM 191 OD1 ASN A 11 2.024 -12.062 -8.861 1.00 3.71 O ATOM 192 ND2 ASN A 11 0.585 -13.117 -10.211 1.00 4.02 N ATOM 0 H ASN A 11 -1.106 -8.576 -9.453 1.00 1.45 H new ATOM 0 HA ASN A 11 1.410 -9.659 -8.434 1.00 1.79 H new ATOM 0 HB2 ASN A 11 -0.681 -10.998 -8.647 1.00 2.89 H new ATOM 0 HB3 ASN A 11 -0.555 -10.869 -10.391 1.00 2.89 H new ATOM 0 HD21 ASN A 11 1.177 -13.946 -10.263 1.00 4.02 H new ATOM 0 HD22 ASN A 11 -0.300 -13.090 -10.717 1.00 4.02 H new ATOM 199 N GLY A 12 2.834 -8.770 -10.287 1.00 1.41 N ATOM 200 CA GLY A 12 3.802 -8.436 -11.322 1.00 1.36 C ATOM 201 C GLY A 12 5.210 -8.398 -10.757 1.00 1.49 C ATOM 202 O GLY A 12 5.687 -9.366 -10.171 1.00 2.34 O ATOM 0 H GLY A 12 3.163 -8.582 -9.340 1.00 1.41 H new ATOM 0 HA2 GLY A 12 3.748 -9.170 -12.126 1.00 1.36 H new ATOM 0 HA3 GLY A 12 3.555 -7.468 -11.758 1.00 1.36 H new ATOM 206 N GLY A 13 5.850 -7.228 -10.910 1.00 0.97 N ATOM 207 CA GLY A 13 7.037 -6.903 -10.130 1.00 1.26 C ATOM 208 C GLY A 13 7.465 -5.446 -10.294 1.00 0.84 C ATOM 209 O GLY A 13 8.340 -5.122 -11.093 1.00 0.89 O ATOM 0 H GLY A 13 5.562 -6.501 -11.564 1.00 0.97 H new ATOM 0 HA2 GLY A 13 6.842 -7.104 -9.077 1.00 1.26 H new ATOM 0 HA3 GLY A 13 7.856 -7.555 -10.433 1.00 1.26 H new ATOM 213 N HIS A 14 6.805 -4.564 -9.551 1.00 0.78 N ATOM 214 CA HIS A 14 7.199 -3.162 -9.405 1.00 0.61 C ATOM 215 C HIS A 14 7.170 -2.810 -7.926 1.00 0.61 C ATOM 216 O HIS A 14 6.568 -3.542 -7.153 1.00 0.92 O ATOM 217 CB HIS A 14 6.293 -2.225 -10.208 1.00 0.85 C ATOM 218 CG HIS A 14 6.801 -1.909 -11.588 1.00 0.75 C ATOM 219 ND1 HIS A 14 7.520 -2.798 -12.362 1.00 1.31 N ATOM 220 CD2 HIS A 14 6.687 -0.780 -12.330 1.00 1.07 C ATOM 221 CE1 HIS A 14 7.825 -2.226 -13.514 1.00 1.17 C ATOM 222 NE2 HIS A 14 7.330 -1.007 -13.517 1.00 0.95 N ATOM 0 H HIS A 14 5.966 -4.805 -9.023 1.00 0.78 H new ATOM 0 HA HIS A 14 8.205 -3.031 -9.803 1.00 0.61 H new ATOM 0 HB2 HIS A 14 5.305 -2.677 -10.292 1.00 0.85 H new ATOM 0 HB3 HIS A 14 6.172 -1.293 -9.655 1.00 0.85 H new ATOM 0 HD1 HIS A 14 7.776 -3.747 -12.088 1.00 1.31 H new ATOM 0 HD2 HIS A 14 6.183 0.129 -12.039 1.00 1.07 H new ATOM 0 HE1 HIS A 14 8.386 -2.682 -14.317 1.00 1.17 H new ATOM 231 N PHE A 15 7.768 -1.698 -7.530 1.00 0.49 N ATOM 232 CA PHE A 15 7.863 -1.351 -6.121 1.00 0.45 C ATOM 233 C PHE A 15 7.431 0.094 -5.938 1.00 0.39 C ATOM 234 O PHE A 15 7.883 0.953 -6.682 1.00 0.41 O ATOM 235 CB PHE A 15 9.309 -1.496 -5.625 1.00 0.51 C ATOM 236 CG PHE A 15 9.946 -2.841 -5.868 1.00 0.83 C ATOM 237 CD1 PHE A 15 9.218 -4.014 -5.750 1.00 1.13 C ATOM 238 CD2 PHE A 15 11.287 -2.925 -6.204 1.00 1.15 C ATOM 239 CE1 PHE A 15 9.811 -5.242 -5.966 1.00 1.61 C ATOM 240 CE2 PHE A 15 11.888 -4.151 -6.419 1.00 1.62 C ATOM 241 CZ PHE A 15 11.149 -5.311 -6.300 1.00 1.82 C ATOM 0 H PHE A 15 8.194 -1.021 -8.163 1.00 0.49 H new ATOM 0 HA PHE A 15 7.220 -2.022 -5.551 1.00 0.45 H new ATOM 0 HB2 PHE A 15 9.919 -0.732 -6.108 1.00 0.51 H new ATOM 0 HB3 PHE A 15 9.330 -1.291 -4.555 1.00 0.51 H new ATOM 0 HD1 PHE A 15 8.172 -3.967 -5.485 1.00 1.13 H new ATOM 0 HD2 PHE A 15 11.870 -2.021 -6.299 1.00 1.15 H new ATOM 0 HE1 PHE A 15 9.229 -6.147 -5.874 1.00 1.61 H new ATOM 0 HE2 PHE A 15 12.935 -4.201 -6.680 1.00 1.62 H new ATOM 0 HZ PHE A 15 11.616 -6.270 -6.468 1.00 1.82 H new ATOM 251 N LEU A 16 6.648 0.390 -4.914 1.00 0.43 N ATOM 252 CA LEU A 16 6.176 1.738 -4.722 1.00 0.50 C ATOM 253 C LEU A 16 7.244 2.550 -4.043 1.00 0.48 C ATOM 254 O LEU A 16 7.887 2.126 -3.081 1.00 0.64 O ATOM 255 CB LEU A 16 4.914 1.769 -3.847 1.00 0.75 C ATOM 256 CG LEU A 16 5.033 2.613 -2.559 1.00 1.35 C ATOM 257 CD1 LEU A 16 4.887 4.100 -2.845 1.00 2.23 C ATOM 258 CD2 LEU A 16 4.024 2.173 -1.511 1.00 1.59 C ATOM 0 H LEU A 16 6.332 -0.281 -4.214 1.00 0.43 H new ATOM 0 HA LEU A 16 5.938 2.152 -5.702 1.00 0.50 H new ATOM 0 HB2 LEU A 16 4.087 2.156 -4.442 1.00 0.75 H new ATOM 0 HB3 LEU A 16 4.656 0.747 -3.571 1.00 0.75 H new ATOM 0 HG LEU A 16 6.034 2.444 -2.162 1.00 1.35 H new ATOM 0 HD11 LEU A 16 4.977 4.660 -1.914 1.00 2.23 H new ATOM 0 HD12 LEU A 16 5.669 4.416 -3.535 1.00 2.23 H new ATOM 0 HD13 LEU A 16 3.911 4.291 -3.291 1.00 2.23 H new ATOM 0 HD21 LEU A 16 4.136 2.788 -0.618 1.00 1.59 H new ATOM 0 HD22 LEU A 16 3.015 2.288 -1.907 1.00 1.59 H new ATOM 0 HD23 LEU A 16 4.197 1.128 -1.256 1.00 1.59 H new ATOM 270 N ARG A 17 7.440 3.700 -4.621 1.00 0.40 N ATOM 271 CA ARG A 17 8.401 4.648 -4.152 1.00 0.42 C ATOM 272 C ARG A 17 7.731 6.008 -4.085 1.00 0.35 C ATOM 273 O ARG A 17 6.795 6.282 -4.850 1.00 0.37 O ATOM 274 CB ARG A 17 9.648 4.620 -5.054 1.00 0.59 C ATOM 275 CG ARG A 17 9.934 5.888 -5.840 1.00 1.00 C ATOM 276 CD ARG A 17 9.335 5.839 -7.236 1.00 1.17 C ATOM 277 NE ARG A 17 10.076 6.704 -8.158 1.00 1.46 N ATOM 278 CZ ARG A 17 9.525 7.354 -9.182 1.00 1.93 C ATOM 279 NH1 ARG A 17 8.228 7.250 -9.420 1.00 2.43 N ATOM 280 NH2 ARG A 17 10.274 8.102 -9.980 1.00 2.61 N ATOM 0 H ARG A 17 6.926 4.008 -5.446 1.00 0.40 H new ATOM 0 HA ARG A 17 8.751 4.401 -3.150 1.00 0.42 H new ATOM 0 HB2 ARG A 17 10.516 4.399 -4.433 1.00 0.59 H new ATOM 0 HB3 ARG A 17 9.543 3.796 -5.759 1.00 0.59 H new ATOM 0 HG2 ARG A 17 9.531 6.746 -5.302 1.00 1.00 H new ATOM 0 HG3 ARG A 17 11.012 6.034 -5.913 1.00 1.00 H new ATOM 0 HD2 ARG A 17 9.348 4.813 -7.605 1.00 1.17 H new ATOM 0 HD3 ARG A 17 8.291 6.151 -7.199 1.00 1.17 H new ATOM 0 HE ARG A 17 11.078 6.816 -8.006 1.00 1.46 H new ATOM 0 HH11 ARG A 17 7.644 6.670 -8.818 1.00 2.43 H new ATOM 0 HH12 ARG A 17 7.812 7.750 -10.206 1.00 2.43 H new ATOM 0 HH21 ARG A 17 11.277 8.182 -9.811 1.00 2.61 H new ATOM 0 HH22 ARG A 17 9.848 8.598 -10.763 1.00 2.61 H new ATOM 294 N ILE A 18 8.167 6.837 -3.155 1.00 0.33 N ATOM 295 CA ILE A 18 7.612 8.159 -3.029 1.00 0.31 C ATOM 296 C ILE A 18 8.468 9.183 -3.753 1.00 0.32 C ATOM 297 O ILE A 18 9.697 9.081 -3.809 1.00 0.36 O ATOM 298 CB ILE A 18 7.463 8.598 -1.562 1.00 0.36 C ATOM 299 CG1 ILE A 18 8.830 8.853 -0.925 1.00 0.45 C ATOM 300 CG2 ILE A 18 6.688 7.553 -0.770 1.00 0.41 C ATOM 301 CD1 ILE A 18 8.771 9.699 0.330 1.00 0.91 C ATOM 0 H ILE A 18 8.900 6.614 -2.482 1.00 0.33 H new ATOM 0 HA ILE A 18 6.621 8.111 -3.481 1.00 0.31 H new ATOM 0 HB ILE A 18 6.903 9.533 -1.542 1.00 0.36 H new ATOM 0 HG12 ILE A 18 9.293 7.896 -0.685 1.00 0.45 H new ATOM 0 HG13 ILE A 18 9.474 9.345 -1.654 1.00 0.45 H new ATOM 0 HG21 ILE A 18 6.592 7.879 0.266 1.00 0.41 H new ATOM 0 HG22 ILE A 18 5.696 7.428 -1.205 1.00 0.41 H new ATOM 0 HG23 ILE A 18 7.221 6.603 -0.803 1.00 0.41 H new ATOM 0 HD11 ILE A 18 9.778 9.836 0.724 1.00 0.91 H new ATOM 0 HD12 ILE A 18 8.338 10.671 0.094 1.00 0.91 H new ATOM 0 HD13 ILE A 18 8.154 9.199 1.077 1.00 0.91 H new ATOM 313 N LEU A 19 7.789 10.146 -4.326 1.00 0.36 N ATOM 314 CA LEU A 19 8.418 11.276 -4.978 1.00 0.42 C ATOM 315 C LEU A 19 7.712 12.539 -4.503 1.00 0.41 C ATOM 316 O LEU A 19 6.580 12.461 -4.029 1.00 0.43 O ATOM 317 CB LEU A 19 8.354 11.147 -6.510 1.00 0.54 C ATOM 318 CG LEU A 19 6.956 11.045 -7.126 1.00 0.96 C ATOM 319 CD1 LEU A 19 7.011 11.405 -8.602 1.00 1.56 C ATOM 320 CD2 LEU A 19 6.394 9.641 -6.958 1.00 1.84 C ATOM 0 H LEU A 19 6.770 10.170 -4.355 1.00 0.36 H new ATOM 0 HA LEU A 19 9.475 11.315 -4.715 1.00 0.42 H new ATOM 0 HB2 LEU A 19 8.858 12.009 -6.947 1.00 0.54 H new ATOM 0 HB3 LEU A 19 8.922 10.264 -6.803 1.00 0.54 H new ATOM 0 HG LEU A 19 6.300 11.745 -6.608 1.00 0.96 H new ATOM 0 HD11 LEU A 19 6.012 11.330 -9.032 1.00 1.56 H new ATOM 0 HD12 LEU A 19 7.379 12.425 -8.714 1.00 1.56 H new ATOM 0 HD13 LEU A 19 7.682 10.719 -9.119 1.00 1.56 H new ATOM 0 HD21 LEU A 19 5.400 9.591 -7.403 1.00 1.84 H new ATOM 0 HD22 LEU A 19 7.050 8.925 -7.454 1.00 1.84 H new ATOM 0 HD23 LEU A 19 6.329 9.400 -5.897 1.00 1.84 H new ATOM 332 N PRO A 20 8.341 13.719 -4.635 1.00 0.54 N ATOM 333 CA PRO A 20 7.829 14.967 -4.040 1.00 0.67 C ATOM 334 C PRO A 20 6.607 15.509 -4.771 1.00 0.68 C ATOM 335 O PRO A 20 6.224 16.669 -4.609 1.00 0.84 O ATOM 336 CB PRO A 20 8.990 15.948 -4.212 1.00 0.89 C ATOM 337 CG PRO A 20 10.173 15.113 -4.574 1.00 0.96 C ATOM 338 CD PRO A 20 9.619 13.940 -5.320 1.00 0.70 C ATOM 0 HA PRO A 20 7.514 14.811 -3.008 1.00 0.67 H new ATOM 0 HB2 PRO A 20 8.773 16.679 -4.991 1.00 0.89 H new ATOM 0 HB3 PRO A 20 9.171 16.506 -3.293 1.00 0.89 H new ATOM 0 HG2 PRO A 20 10.876 15.674 -5.190 1.00 0.96 H new ATOM 0 HG3 PRO A 20 10.715 14.792 -3.684 1.00 0.96 H new ATOM 0 HD2 PRO A 20 9.482 14.158 -6.379 1.00 0.70 H new ATOM 0 HD3 PRO A 20 10.272 13.070 -5.256 1.00 0.70 H new ATOM 346 N ASP A 21 6.018 14.659 -5.585 1.00 0.62 N ATOM 347 CA ASP A 21 4.726 14.933 -6.198 1.00 0.78 C ATOM 348 C ASP A 21 3.616 14.484 -5.256 1.00 0.75 C ATOM 349 O ASP A 21 2.489 14.985 -5.300 1.00 0.99 O ATOM 350 CB ASP A 21 4.598 14.206 -7.540 1.00 0.94 C ATOM 351 CG ASP A 21 3.233 14.392 -8.174 1.00 1.51 C ATOM 352 OD1 ASP A 21 2.970 15.487 -8.704 1.00 1.71 O ATOM 353 OD2 ASP A 21 2.416 13.445 -8.139 1.00 2.30 O ATOM 0 H ASP A 21 6.418 13.757 -5.844 1.00 0.62 H new ATOM 0 HA ASP A 21 4.642 16.004 -6.380 1.00 0.78 H new ATOM 0 HB2 ASP A 21 5.365 14.572 -8.222 1.00 0.94 H new ATOM 0 HB3 ASP A 21 4.784 13.142 -7.392 1.00 0.94 H new ATOM 358 N GLY A 22 3.962 13.552 -4.375 1.00 0.59 N ATOM 359 CA GLY A 22 3.003 13.022 -3.435 1.00 0.72 C ATOM 360 C GLY A 22 2.300 11.797 -3.973 1.00 0.61 C ATOM 361 O GLY A 22 1.110 11.611 -3.749 1.00 0.81 O ATOM 0 H GLY A 22 4.898 13.154 -4.298 1.00 0.59 H new ATOM 0 HA2 GLY A 22 3.510 12.769 -2.504 1.00 0.72 H new ATOM 0 HA3 GLY A 22 2.265 13.789 -3.199 1.00 0.72 H new ATOM 365 N THR A 23 3.037 10.955 -4.681 1.00 0.43 N ATOM 366 CA THR A 23 2.477 9.788 -5.304 1.00 0.39 C ATOM 367 C THR A 23 2.983 8.523 -4.645 1.00 0.40 C ATOM 368 O THR A 23 4.131 8.459 -4.211 1.00 0.46 O ATOM 369 CB THR A 23 2.921 9.710 -6.756 1.00 0.44 C ATOM 370 OG1 THR A 23 3.273 11.013 -7.244 1.00 0.49 O ATOM 371 CG2 THR A 23 1.830 9.112 -7.619 1.00 0.59 C ATOM 0 H THR A 23 4.039 11.070 -4.834 1.00 0.43 H new ATOM 0 HA THR A 23 1.394 9.868 -5.212 1.00 0.39 H new ATOM 0 HB THR A 23 3.798 9.065 -6.808 1.00 0.44 H new ATOM 0 HG1 THR A 23 2.458 11.536 -7.397 1.00 0.49 H new ATOM 0 HG21 THR A 23 2.169 9.066 -8.654 1.00 0.59 H new ATOM 0 HG22 THR A 23 1.598 8.107 -7.268 1.00 0.59 H new ATOM 0 HG23 THR A 23 0.936 9.733 -7.558 1.00 0.59 H new ATOM 379 N VAL A 24 2.131 7.520 -4.575 1.00 0.47 N ATOM 380 CA VAL A 24 2.598 6.180 -4.297 1.00 0.56 C ATOM 381 C VAL A 24 2.576 5.407 -5.605 1.00 0.42 C ATOM 382 O VAL A 24 1.513 5.035 -6.102 1.00 0.50 O ATOM 383 CB VAL A 24 1.696 5.505 -3.234 1.00 0.91 C ATOM 384 CG1 VAL A 24 0.285 6.022 -3.368 1.00 0.97 C ATOM 385 CG2 VAL A 24 1.700 3.985 -3.344 1.00 1.61 C ATOM 0 H VAL A 24 1.123 7.607 -4.705 1.00 0.47 H new ATOM 0 HA VAL A 24 3.610 6.200 -3.893 1.00 0.56 H new ATOM 0 HB VAL A 24 2.101 5.758 -2.254 1.00 0.91 H new ATOM 0 HG11 VAL A 24 -0.349 5.547 -2.620 1.00 0.97 H new ATOM 0 HG12 VAL A 24 0.277 7.102 -3.217 1.00 0.97 H new ATOM 0 HG13 VAL A 24 -0.094 5.792 -4.364 1.00 0.97 H new ATOM 0 HG21 VAL A 24 1.052 3.563 -2.576 1.00 1.61 H new ATOM 0 HG22 VAL A 24 1.336 3.690 -4.328 1.00 1.61 H new ATOM 0 HG23 VAL A 24 2.715 3.613 -3.207 1.00 1.61 H new ATOM 395 N ASP A 25 3.732 5.243 -6.216 1.00 0.37 N ATOM 396 CA ASP A 25 3.791 4.503 -7.473 1.00 0.37 C ATOM 397 C ASP A 25 4.908 3.509 -7.515 1.00 0.39 C ATOM 398 O ASP A 25 5.925 3.684 -6.850 1.00 0.43 O ATOM 399 CB ASP A 25 3.835 5.443 -8.690 1.00 0.48 C ATOM 400 CG ASP A 25 5.037 6.368 -8.729 1.00 0.80 C ATOM 401 OD1 ASP A 25 6.178 5.867 -8.605 1.00 1.10 O ATOM 402 OD2 ASP A 25 4.855 7.597 -8.831 1.00 1.16 O ATOM 0 H ASP A 25 4.626 5.600 -5.878 1.00 0.37 H new ATOM 0 HA ASP A 25 2.864 3.931 -7.526 1.00 0.37 H new ATOM 0 HB2 ASP A 25 3.827 4.841 -9.598 1.00 0.48 H new ATOM 0 HB3 ASP A 25 2.928 6.047 -8.699 1.00 0.48 H new ATOM 407 N GLY A 26 4.726 2.453 -8.299 1.00 0.38 N ATOM 408 CA GLY A 26 5.790 1.497 -8.396 1.00 0.40 C ATOM 409 C GLY A 26 6.682 1.634 -9.606 1.00 0.42 C ATOM 410 O GLY A 26 6.252 1.842 -10.740 1.00 0.52 O ATOM 0 H GLY A 26 3.890 2.253 -8.847 1.00 0.38 H new ATOM 0 HA2 GLY A 26 6.407 1.575 -7.501 1.00 0.40 H new ATOM 0 HA3 GLY A 26 5.357 0.497 -8.398 1.00 0.40 H new ATOM 414 N THR A 27 7.938 1.479 -9.296 1.00 0.42 N ATOM 415 CA THR A 27 9.051 1.409 -10.208 1.00 0.50 C ATOM 416 C THR A 27 10.020 0.436 -9.577 1.00 0.54 C ATOM 417 O THR A 27 10.076 0.387 -8.349 1.00 0.56 O ATOM 418 CB THR A 27 9.691 2.796 -10.372 1.00 0.57 C ATOM 419 OG1 THR A 27 8.807 3.662 -11.096 1.00 0.67 O ATOM 420 CG2 THR A 27 11.027 2.711 -11.080 1.00 0.70 C ATOM 0 H THR A 27 8.236 1.391 -8.324 1.00 0.42 H new ATOM 0 HA THR A 27 8.750 1.084 -11.204 1.00 0.50 H new ATOM 0 HB THR A 27 9.865 3.204 -9.376 1.00 0.57 H new ATOM 0 HG1 THR A 27 9.222 4.544 -11.195 1.00 0.67 H new ATOM 0 HG21 THR A 27 11.451 3.710 -11.179 1.00 0.70 H new ATOM 0 HG22 THR A 27 11.706 2.084 -10.502 1.00 0.70 H new ATOM 0 HG23 THR A 27 10.887 2.277 -12.070 1.00 0.70 H new ATOM 428 N ARG A 28 10.755 -0.381 -10.312 1.00 0.64 N ATOM 429 CA ARG A 28 11.604 -1.266 -9.561 1.00 0.71 C ATOM 430 C ARG A 28 12.960 -0.645 -9.376 1.00 0.65 C ATOM 431 O ARG A 28 13.779 -0.581 -10.294 1.00 0.72 O ATOM 432 CB ARG A 28 11.719 -2.619 -10.248 1.00 0.91 C ATOM 433 CG ARG A 28 12.759 -3.544 -9.632 1.00 1.56 C ATOM 434 CD ARG A 28 12.744 -4.923 -10.272 1.00 1.84 C ATOM 435 NE ARG A 28 13.843 -5.752 -9.779 1.00 2.32 N ATOM 436 CZ ARG A 28 13.745 -7.052 -9.496 1.00 2.92 C ATOM 437 NH1 ARG A 28 12.590 -7.687 -9.649 1.00 3.18 N ATOM 438 NH2 ARG A 28 14.809 -7.712 -9.051 1.00 3.76 N ATOM 0 H ARG A 28 10.782 -0.447 -11.329 1.00 0.64 H new ATOM 0 HA ARG A 28 11.157 -1.427 -8.580 1.00 0.71 H new ATOM 0 HB2 ARG A 28 10.747 -3.112 -10.219 1.00 0.91 H new ATOM 0 HB3 ARG A 28 11.966 -2.461 -11.298 1.00 0.91 H new ATOM 0 HG2 ARG A 28 13.749 -3.103 -9.745 1.00 1.56 H new ATOM 0 HG3 ARG A 28 12.572 -3.639 -8.562 1.00 1.56 H new ATOM 0 HD2 ARG A 28 11.794 -5.413 -10.061 1.00 1.84 H new ATOM 0 HD3 ARG A 28 12.818 -4.824 -11.355 1.00 1.84 H new ATOM 0 HE ARG A 28 14.749 -5.304 -9.642 1.00 2.32 H new ATOM 0 HH11 ARG A 28 11.770 -7.181 -9.985 1.00 3.18 H new ATOM 0 HH12 ARG A 28 12.522 -8.681 -9.431 1.00 3.18 H new ATOM 0 HH21 ARG A 28 15.696 -7.225 -8.927 1.00 3.76 H new ATOM 0 HH22 ARG A 28 14.738 -8.706 -8.833 1.00 3.76 H new ATOM 452 N ASP A 29 13.169 -0.220 -8.154 1.00 0.68 N ATOM 453 CA ASP A 29 14.491 0.099 -7.632 1.00 0.69 C ATOM 454 C ASP A 29 14.565 -0.201 -6.146 1.00 0.81 C ATOM 455 O ASP A 29 14.097 0.597 -5.338 1.00 1.48 O ATOM 456 CB ASP A 29 14.822 1.588 -7.799 1.00 1.04 C ATOM 457 CG ASP A 29 14.958 2.037 -9.240 1.00 1.58 C ATOM 458 OD1 ASP A 29 16.045 1.847 -9.827 1.00 1.84 O ATOM 459 OD2 ASP A 29 13.991 2.601 -9.788 1.00 2.20 O ATOM 0 H ASP A 29 12.419 -0.081 -7.477 1.00 0.68 H new ATOM 0 HA ASP A 29 15.198 -0.510 -8.195 1.00 0.69 H new ATOM 0 HB2 ASP A 29 14.042 2.178 -7.319 1.00 1.04 H new ATOM 0 HB3 ASP A 29 15.753 1.803 -7.274 1.00 1.04 H new ATOM 464 N ARG A 30 15.270 -1.229 -5.750 1.00 0.62 N ATOM 465 CA ARG A 30 15.595 -1.349 -4.344 1.00 0.91 C ATOM 466 C ARG A 30 16.992 -0.787 -4.157 1.00 1.03 C ATOM 467 O ARG A 30 17.541 -0.704 -3.056 1.00 1.18 O ATOM 468 CB ARG A 30 15.384 -2.785 -3.830 1.00 1.63 C ATOM 469 CG ARG A 30 16.471 -3.337 -2.917 1.00 2.20 C ATOM 470 CD ARG A 30 17.652 -3.871 -3.710 1.00 2.58 C ATOM 471 NE ARG A 30 18.787 -4.193 -2.851 1.00 3.27 N ATOM 472 CZ ARG A 30 19.851 -4.879 -3.254 1.00 3.80 C ATOM 473 NH1 ARG A 30 19.906 -5.362 -4.491 1.00 3.96 N ATOM 474 NH2 ARG A 30 20.852 -5.094 -2.413 1.00 4.57 N ATOM 0 H ARG A 30 15.622 -1.973 -6.352 1.00 0.62 H new ATOM 0 HA ARG A 30 14.916 -0.767 -3.720 1.00 0.91 H new ATOM 0 HB2 ARG A 30 14.435 -2.822 -3.295 1.00 1.63 H new ATOM 0 HB3 ARG A 30 15.290 -3.447 -4.691 1.00 1.63 H new ATOM 0 HG2 ARG A 30 16.811 -2.553 -2.241 1.00 2.20 H new ATOM 0 HG3 ARG A 30 16.057 -4.134 -2.299 1.00 2.20 H new ATOM 0 HD2 ARG A 30 17.347 -4.763 -4.258 1.00 2.58 H new ATOM 0 HD3 ARG A 30 17.956 -3.131 -4.450 1.00 2.58 H new ATOM 0 HE ARG A 30 18.762 -3.872 -1.883 1.00 3.27 H new ATOM 0 HH11 ARG A 30 19.130 -5.206 -5.134 1.00 3.96 H new ATOM 0 HH12 ARG A 30 20.724 -5.888 -4.797 1.00 3.96 H new ATOM 0 HH21 ARG A 30 20.804 -4.733 -1.460 1.00 4.57 H new ATOM 0 HH22 ARG A 30 21.671 -5.620 -2.718 1.00 4.57 H new ATOM 488 N SER A 31 17.530 -0.343 -5.281 1.00 1.72 N ATOM 489 CA SER A 31 18.735 0.445 -5.307 1.00 2.60 C ATOM 490 C SER A 31 18.414 1.871 -4.873 1.00 2.41 C ATOM 491 O SER A 31 19.318 2.652 -4.572 1.00 2.90 O ATOM 492 CB SER A 31 19.311 0.450 -6.723 1.00 3.49 C ATOM 493 OG SER A 31 19.162 -0.824 -7.333 1.00 4.00 O ATOM 0 H SER A 31 17.134 -0.525 -6.203 1.00 1.72 H new ATOM 0 HA SER A 31 19.469 0.017 -4.624 1.00 2.60 H new ATOM 0 HB2 SER A 31 18.806 1.207 -7.323 1.00 3.49 H new ATOM 0 HB3 SER A 31 20.366 0.721 -6.690 1.00 3.49 H new ATOM 0 HG SER A 31 19.535 -0.799 -8.239 1.00 4.00 H new ATOM 499 N ASP A 32 17.117 2.212 -4.825 1.00 1.76 N ATOM 500 CA ASP A 32 16.721 3.547 -4.456 1.00 1.59 C ATOM 501 C ASP A 32 16.506 3.573 -2.950 1.00 1.18 C ATOM 502 O ASP A 32 16.715 2.569 -2.267 1.00 1.25 O ATOM 503 CB ASP A 32 15.428 3.910 -5.209 1.00 1.59 C ATOM 504 CG ASP A 32 15.098 5.393 -5.200 1.00 1.92 C ATOM 505 OD1 ASP A 32 14.582 5.883 -4.180 1.00 2.37 O ATOM 506 OD2 ASP A 32 15.342 6.070 -6.220 1.00 2.08 O ATOM 0 H ASP A 32 16.346 1.579 -5.037 1.00 1.76 H new ATOM 0 HA ASP A 32 17.486 4.277 -4.721 1.00 1.59 H new ATOM 0 HB2 ASP A 32 15.516 3.575 -6.243 1.00 1.59 H new ATOM 0 HB3 ASP A 32 14.597 3.361 -4.766 1.00 1.59 H new ATOM 511 N GLN A 33 16.095 4.701 -2.438 1.00 1.02 N ATOM 512 CA GLN A 33 15.943 4.869 -1.010 1.00 0.76 C ATOM 513 C GLN A 33 14.489 5.025 -0.587 1.00 0.55 C ATOM 514 O GLN A 33 14.213 5.254 0.583 1.00 0.72 O ATOM 515 CB GLN A 33 16.783 6.054 -0.564 1.00 1.03 C ATOM 516 CG GLN A 33 16.340 7.384 -1.154 1.00 1.73 C ATOM 517 CD GLN A 33 17.189 8.544 -0.675 1.00 2.18 C ATOM 518 OE1 GLN A 33 17.717 8.526 0.438 1.00 2.42 O ATOM 519 NE2 GLN A 33 17.328 9.562 -1.510 1.00 2.92 N ATOM 0 H GLN A 33 15.857 5.526 -2.989 1.00 1.02 H new ATOM 0 HA GLN A 33 16.295 3.962 -0.517 1.00 0.76 H new ATOM 0 HB2 GLN A 33 16.749 6.121 0.523 1.00 1.03 H new ATOM 0 HB3 GLN A 33 17.822 5.874 -0.840 1.00 1.03 H new ATOM 0 HG2 GLN A 33 16.387 7.329 -2.242 1.00 1.73 H new ATOM 0 HG3 GLN A 33 15.299 7.566 -0.889 1.00 1.73 H new ATOM 0 HE21 GLN A 33 16.874 9.538 -2.423 1.00 2.92 H new ATOM 0 HE22 GLN A 33 17.889 10.370 -1.240 1.00 2.92 H new ATOM 528 N HIS A 34 13.560 4.922 -1.531 1.00 0.44 N ATOM 529 CA HIS A 34 12.180 5.345 -1.274 1.00 0.36 C ATOM 530 C HIS A 34 11.186 4.195 -1.091 1.00 0.32 C ATOM 531 O HIS A 34 10.024 4.452 -0.791 1.00 0.37 O ATOM 532 CB HIS A 34 11.685 6.252 -2.403 1.00 0.57 C ATOM 533 CG HIS A 34 12.331 7.605 -2.443 1.00 0.85 C ATOM 534 ND1 HIS A 34 13.346 7.927 -3.314 1.00 1.54 N ATOM 535 CD2 HIS A 34 12.079 8.730 -1.738 1.00 1.29 C ATOM 536 CE1 HIS A 34 13.686 9.189 -3.148 1.00 1.61 C ATOM 537 NE2 HIS A 34 12.933 9.701 -2.196 1.00 1.34 N ATOM 0 H HIS A 34 13.728 4.556 -2.468 1.00 0.44 H new ATOM 0 HA HIS A 34 12.218 5.880 -0.325 1.00 0.36 H new ATOM 0 HB2 HIS A 34 11.859 5.752 -3.356 1.00 0.57 H new ATOM 0 HB3 HIS A 34 10.607 6.381 -2.302 1.00 0.57 H new ATOM 0 HD1 HIS A 34 13.770 7.287 -3.985 1.00 1.54 H new ATOM 0 HD2 HIS A 34 11.341 8.844 -0.958 1.00 1.29 H new ATOM 0 HE1 HIS A 34 14.452 9.715 -3.699 1.00 1.61 H new ATOM 546 N ILE A 35 11.603 2.946 -1.280 1.00 0.38 N ATOM 547 CA ILE A 35 10.644 1.835 -1.272 1.00 0.45 C ATOM 548 C ILE A 35 10.377 1.257 0.132 1.00 0.46 C ATOM 549 O ILE A 35 9.971 0.098 0.252 1.00 0.63 O ATOM 550 CB ILE A 35 11.081 0.686 -2.221 1.00 0.63 C ATOM 551 CG1 ILE A 35 12.327 -0.070 -1.705 1.00 1.16 C ATOM 552 CG2 ILE A 35 11.326 1.224 -3.625 1.00 1.51 C ATOM 553 CD1 ILE A 35 13.627 0.711 -1.749 1.00 2.04 C ATOM 0 H ILE A 35 12.574 2.677 -1.437 1.00 0.38 H new ATOM 0 HA ILE A 35 9.713 2.273 -1.632 1.00 0.45 H new ATOM 0 HB ILE A 35 10.264 -0.034 -2.249 1.00 0.63 H new ATOM 0 HG12 ILE A 35 12.143 -0.379 -0.676 1.00 1.16 H new ATOM 0 HG13 ILE A 35 12.449 -0.979 -2.294 1.00 1.16 H new ATOM 0 HG21 ILE A 35 11.632 0.408 -4.279 1.00 1.51 H new ATOM 0 HG22 ILE A 35 10.409 1.672 -4.008 1.00 1.51 H new ATOM 0 HG23 ILE A 35 12.113 1.978 -3.594 1.00 1.51 H new ATOM 0 HD11 ILE A 35 14.437 0.091 -1.366 1.00 2.04 H new ATOM 0 HD12 ILE A 35 13.845 0.997 -2.778 1.00 2.04 H new ATOM 0 HD13 ILE A 35 13.534 1.607 -1.135 1.00 2.04 H new ATOM 565 N GLN A 36 10.573 2.043 1.194 1.00 0.38 N ATOM 566 CA GLN A 36 10.562 1.474 2.539 1.00 0.37 C ATOM 567 C GLN A 36 9.456 2.053 3.438 1.00 0.35 C ATOM 568 O GLN A 36 9.643 3.065 4.125 1.00 0.35 O ATOM 569 CB GLN A 36 11.927 1.755 3.151 1.00 0.43 C ATOM 570 CG GLN A 36 12.249 3.249 3.187 1.00 0.52 C ATOM 571 CD GLN A 36 13.728 3.529 3.318 1.00 0.71 C ATOM 572 OE1 GLN A 36 14.528 2.809 2.546 1.00 1.17 O flip ATOM 573 NE2 GLN A 36 14.140 4.433 4.042 1.00 1.29 N flip ATOM 0 H GLN A 36 10.737 3.049 1.150 1.00 0.38 H new ATOM 0 HA GLN A 36 10.354 0.407 2.465 1.00 0.37 H new ATOM 0 HB2 GLN A 36 11.958 1.354 4.164 1.00 0.43 H new ATOM 0 HB3 GLN A 36 12.694 1.234 2.578 1.00 0.43 H new ATOM 0 HG2 GLN A 36 11.875 3.718 2.277 1.00 0.52 H new ATOM 0 HG3 GLN A 36 11.722 3.709 4.023 1.00 0.52 H new ATOM 0 HE21 GLN A 36 13.486 4.961 4.620 1.00 1.29 H new ATOM 0 HE22 GLN A 36 15.135 4.655 4.065 1.00 1.29 H new ATOM 582 N LEU A 37 8.352 1.341 3.547 1.00 0.36 N ATOM 583 CA LEU A 37 7.251 1.798 4.381 1.00 0.35 C ATOM 584 C LEU A 37 7.059 0.873 5.558 1.00 0.37 C ATOM 585 O LEU A 37 7.247 -0.327 5.445 1.00 0.48 O ATOM 586 CB LEU A 37 5.945 1.906 3.594 1.00 0.38 C ATOM 587 CG LEU A 37 5.516 0.659 2.807 1.00 0.45 C ATOM 588 CD1 LEU A 37 4.000 0.599 2.694 1.00 0.94 C ATOM 589 CD2 LEU A 37 6.136 0.666 1.413 1.00 0.94 C ATOM 0 H LEU A 37 8.191 0.451 3.075 1.00 0.36 H new ATOM 0 HA LEU A 37 7.512 2.794 4.739 1.00 0.35 H new ATOM 0 HB2 LEU A 37 5.147 2.161 4.291 1.00 0.38 H new ATOM 0 HB3 LEU A 37 6.036 2.737 2.894 1.00 0.38 H new ATOM 0 HG LEU A 37 5.868 -0.221 3.345 1.00 0.45 H new ATOM 0 HD11 LEU A 37 3.712 -0.290 2.134 1.00 0.94 H new ATOM 0 HD12 LEU A 37 3.562 0.557 3.691 1.00 0.94 H new ATOM 0 HD13 LEU A 37 3.638 1.487 2.176 1.00 0.94 H new ATOM 0 HD21 LEU A 37 5.821 -0.225 0.870 1.00 0.94 H new ATOM 0 HD22 LEU A 37 5.808 1.555 0.873 1.00 0.94 H new ATOM 0 HD23 LEU A 37 7.223 0.674 1.498 1.00 0.94 H new ATOM 601 N GLN A 38 6.673 1.417 6.685 1.00 0.34 N ATOM 602 CA GLN A 38 6.511 0.598 7.849 1.00 0.39 C ATOM 603 C GLN A 38 5.032 0.210 7.958 1.00 0.40 C ATOM 604 O GLN A 38 4.163 1.034 8.241 1.00 0.41 O ATOM 605 CB GLN A 38 7.066 1.328 9.088 1.00 0.45 C ATOM 606 CG GLN A 38 6.200 2.451 9.627 1.00 0.93 C ATOM 607 CD GLN A 38 6.755 3.063 10.899 1.00 1.37 C ATOM 608 OE1 GLN A 38 6.469 2.595 12.001 1.00 2.05 O ATOM 609 NE2 GLN A 38 7.529 4.125 10.759 1.00 2.12 N ATOM 0 H GLN A 38 6.469 2.408 6.816 1.00 0.34 H new ATOM 0 HA GLN A 38 7.085 -0.326 7.776 1.00 0.39 H new ATOM 0 HB2 GLN A 38 7.217 0.596 9.882 1.00 0.45 H new ATOM 0 HB3 GLN A 38 8.046 1.736 8.839 1.00 0.45 H new ATOM 0 HG2 GLN A 38 6.105 3.227 8.867 1.00 0.93 H new ATOM 0 HG3 GLN A 38 5.197 2.070 9.820 1.00 0.93 H new ATOM 0 HE21 GLN A 38 7.742 4.482 9.827 1.00 2.12 H new ATOM 0 HE22 GLN A 38 7.913 4.588 11.583 1.00 2.12 H new ATOM 618 N LEU A 39 4.756 -1.051 7.664 1.00 0.43 N ATOM 619 CA LEU A 39 3.386 -1.524 7.555 1.00 0.46 C ATOM 620 C LEU A 39 3.042 -2.409 8.738 1.00 0.55 C ATOM 621 O LEU A 39 3.409 -3.582 8.785 1.00 0.77 O ATOM 622 CB LEU A 39 3.189 -2.294 6.246 1.00 0.61 C ATOM 623 CG LEU A 39 1.898 -1.979 5.483 1.00 1.05 C ATOM 624 CD1 LEU A 39 1.728 -2.928 4.306 1.00 1.75 C ATOM 625 CD2 LEU A 39 0.692 -2.050 6.409 1.00 1.45 C ATOM 0 H LEU A 39 5.464 -1.766 7.496 1.00 0.43 H new ATOM 0 HA LEU A 39 2.720 -0.661 7.555 1.00 0.46 H new ATOM 0 HB2 LEU A 39 4.036 -2.087 5.592 1.00 0.61 H new ATOM 0 HB3 LEU A 39 3.209 -3.361 6.466 1.00 0.61 H new ATOM 0 HG LEU A 39 1.969 -0.962 5.097 1.00 1.05 H new ATOM 0 HD11 LEU A 39 0.806 -2.689 3.776 1.00 1.75 H new ATOM 0 HD12 LEU A 39 2.574 -2.821 3.627 1.00 1.75 H new ATOM 0 HD13 LEU A 39 1.682 -3.954 4.670 1.00 1.75 H new ATOM 0 HD21 LEU A 39 -0.213 -1.823 5.846 1.00 1.45 H new ATOM 0 HD22 LEU A 39 0.615 -3.052 6.830 1.00 1.45 H new ATOM 0 HD23 LEU A 39 0.809 -1.326 7.215 1.00 1.45 H new ATOM 637 N SER A 40 2.358 -1.829 9.698 1.00 0.46 N ATOM 638 CA SER A 40 1.995 -2.541 10.901 1.00 0.56 C ATOM 639 C SER A 40 0.496 -2.823 10.942 1.00 0.42 C ATOM 640 O SER A 40 -0.269 -2.280 10.150 1.00 0.37 O ATOM 641 CB SER A 40 2.397 -1.714 12.118 1.00 0.71 C ATOM 642 OG SER A 40 3.762 -1.339 12.049 1.00 1.38 O ATOM 0 H SER A 40 2.040 -0.860 9.668 1.00 0.46 H new ATOM 0 HA SER A 40 2.520 -3.496 10.910 1.00 0.56 H new ATOM 0 HB2 SER A 40 1.774 -0.822 12.178 1.00 0.71 H new ATOM 0 HB3 SER A 40 2.220 -2.288 13.027 1.00 0.71 H new ATOM 0 HG SER A 40 3.996 -0.808 12.839 1.00 1.38 H new ATOM 648 N ALA A 41 0.093 -3.661 11.882 1.00 0.56 N ATOM 649 CA ALA A 41 -1.311 -3.843 12.205 1.00 0.56 C ATOM 650 C ALA A 41 -1.507 -3.307 13.605 1.00 0.64 C ATOM 651 O ALA A 41 -1.174 -3.969 14.587 1.00 0.84 O ATOM 652 CB ALA A 41 -1.705 -5.313 12.120 1.00 0.89 C ATOM 0 H ALA A 41 0.727 -4.232 12.441 1.00 0.56 H new ATOM 0 HA ALA A 41 -1.945 -3.312 11.495 1.00 0.56 H new ATOM 0 HB1 ALA A 41 -2.761 -5.421 12.367 1.00 0.89 H new ATOM 0 HB2 ALA A 41 -1.529 -5.679 11.108 1.00 0.89 H new ATOM 0 HB3 ALA A 41 -1.107 -5.891 12.824 1.00 0.89 H new ATOM 658 N GLU A 42 -2.035 -2.099 13.693 1.00 0.92 N ATOM 659 CA GLU A 42 -1.837 -1.302 14.888 1.00 1.34 C ATOM 660 C GLU A 42 -3.063 -1.350 15.785 1.00 1.34 C ATOM 661 O GLU A 42 -2.954 -1.432 17.014 1.00 1.64 O ATOM 662 CB GLU A 42 -1.467 0.126 14.496 1.00 1.88 C ATOM 663 CG GLU A 42 -0.697 0.871 15.569 1.00 2.46 C ATOM 664 CD GLU A 42 0.187 1.962 14.999 1.00 2.62 C ATOM 665 OE1 GLU A 42 1.357 1.665 14.663 1.00 2.70 O ATOM 666 OE2 GLU A 42 -0.280 3.108 14.876 1.00 3.12 O ATOM 0 H GLU A 42 -2.594 -1.655 12.965 1.00 0.92 H new ATOM 0 HA GLU A 42 -1.012 -1.719 15.466 1.00 1.34 H new ATOM 0 HB2 GLU A 42 -0.870 0.100 13.584 1.00 1.88 H new ATOM 0 HB3 GLU A 42 -2.378 0.678 14.265 1.00 1.88 H new ATOM 0 HG2 GLU A 42 -1.400 1.310 16.277 1.00 2.46 H new ATOM 0 HG3 GLU A 42 -0.082 0.165 16.127 1.00 2.46 H new ATOM 673 N SER A 43 -4.225 -1.314 15.164 1.00 1.09 N ATOM 674 CA SER A 43 -5.467 -1.544 15.867 1.00 1.14 C ATOM 675 C SER A 43 -6.002 -2.887 15.429 1.00 1.00 C ATOM 676 O SER A 43 -5.525 -3.445 14.436 1.00 1.09 O ATOM 677 CB SER A 43 -6.486 -0.451 15.554 1.00 1.24 C ATOM 678 OG SER A 43 -5.900 0.843 15.576 1.00 1.59 O ATOM 0 H SER A 43 -4.333 -1.126 14.167 1.00 1.09 H new ATOM 0 HA SER A 43 -5.289 -1.529 16.942 1.00 1.14 H new ATOM 0 HB2 SER A 43 -6.925 -0.634 14.573 1.00 1.24 H new ATOM 0 HB3 SER A 43 -7.298 -0.494 16.279 1.00 1.24 H new ATOM 0 HG SER A 43 -6.359 1.421 14.931 1.00 1.59 H new ATOM 684 N VAL A 44 -6.962 -3.418 16.159 1.00 0.92 N ATOM 685 CA VAL A 44 -7.569 -4.664 15.770 1.00 0.91 C ATOM 686 C VAL A 44 -8.238 -4.512 14.407 1.00 0.77 C ATOM 687 O VAL A 44 -9.149 -3.708 14.226 1.00 0.79 O ATOM 688 CB VAL A 44 -8.583 -5.154 16.830 1.00 1.07 C ATOM 689 CG1 VAL A 44 -7.853 -5.611 18.087 1.00 1.85 C ATOM 690 CG2 VAL A 44 -9.602 -4.071 17.178 1.00 1.83 C ATOM 0 H VAL A 44 -7.332 -3.007 17.016 1.00 0.92 H new ATOM 0 HA VAL A 44 -6.786 -5.419 15.697 1.00 0.91 H new ATOM 0 HB VAL A 44 -9.126 -5.997 16.403 1.00 1.07 H new ATOM 0 HG11 VAL A 44 -8.579 -5.953 18.825 1.00 1.85 H new ATOM 0 HG12 VAL A 44 -7.176 -6.428 17.838 1.00 1.85 H new ATOM 0 HG13 VAL A 44 -7.282 -4.779 18.499 1.00 1.85 H new ATOM 0 HG21 VAL A 44 -10.297 -4.452 17.926 1.00 1.83 H new ATOM 0 HG22 VAL A 44 -9.084 -3.198 17.576 1.00 1.83 H new ATOM 0 HG23 VAL A 44 -10.153 -3.788 16.281 1.00 1.83 H new ATOM 700 N GLY A 45 -7.729 -5.243 13.432 1.00 0.73 N ATOM 701 CA GLY A 45 -8.337 -5.253 12.122 1.00 0.67 C ATOM 702 C GLY A 45 -7.743 -4.206 11.202 1.00 0.54 C ATOM 703 O GLY A 45 -7.823 -4.339 9.980 1.00 0.56 O ATOM 0 H GLY A 45 -6.902 -5.832 13.525 1.00 0.73 H new ATOM 0 HA2 GLY A 45 -8.213 -6.239 11.674 1.00 0.67 H new ATOM 0 HA3 GLY A 45 -9.409 -5.080 12.220 1.00 0.67 H new ATOM 707 N GLU A 46 -7.151 -3.161 11.779 1.00 0.56 N ATOM 708 CA GLU A 46 -6.584 -2.088 10.972 1.00 0.50 C ATOM 709 C GLU A 46 -5.101 -2.283 10.736 1.00 0.40 C ATOM 710 O GLU A 46 -4.361 -2.755 11.601 1.00 0.48 O ATOM 711 CB GLU A 46 -6.784 -0.709 11.599 1.00 0.75 C ATOM 712 CG GLU A 46 -7.998 -0.608 12.481 1.00 1.02 C ATOM 713 CD GLU A 46 -8.404 0.829 12.760 1.00 1.35 C ATOM 714 OE1 GLU A 46 -7.774 1.472 13.631 1.00 1.67 O ATOM 715 OE2 GLU A 46 -9.350 1.324 12.114 1.00 1.80 O ATOM 0 H GLU A 46 -7.053 -3.037 12.787 1.00 0.56 H new ATOM 0 HA GLU A 46 -7.122 -2.132 10.025 1.00 0.50 H new ATOM 0 HB2 GLU A 46 -5.900 -0.456 12.185 1.00 0.75 H new ATOM 0 HB3 GLU A 46 -6.863 0.032 10.804 1.00 0.75 H new ATOM 0 HG2 GLU A 46 -8.830 -1.131 12.008 1.00 1.02 H new ATOM 0 HG3 GLU A 46 -7.799 -1.115 13.425 1.00 1.02 H new ATOM 722 N VAL A 47 -4.688 -1.884 9.558 1.00 0.33 N ATOM 723 CA VAL A 47 -3.289 -1.853 9.191 1.00 0.33 C ATOM 724 C VAL A 47 -2.875 -0.424 8.914 1.00 0.33 C ATOM 725 O VAL A 47 -3.659 0.374 8.393 1.00 0.36 O ATOM 726 CB VAL A 47 -2.955 -2.721 7.968 1.00 0.40 C ATOM 727 CG1 VAL A 47 -3.228 -4.187 8.260 1.00 0.46 C ATOM 728 CG2 VAL A 47 -3.727 -2.249 6.745 1.00 0.48 C ATOM 0 H VAL A 47 -5.317 -1.569 8.819 1.00 0.33 H new ATOM 0 HA VAL A 47 -2.736 -2.269 10.033 1.00 0.33 H new ATOM 0 HB VAL A 47 -1.892 -2.616 7.751 1.00 0.40 H new ATOM 0 HG11 VAL A 47 -2.985 -4.784 7.381 1.00 0.46 H new ATOM 0 HG12 VAL A 47 -2.614 -4.511 9.100 1.00 0.46 H new ATOM 0 HG13 VAL A 47 -4.281 -4.319 8.508 1.00 0.46 H new ATOM 0 HG21 VAL A 47 -3.475 -2.878 5.891 1.00 0.48 H new ATOM 0 HG22 VAL A 47 -4.797 -2.316 6.942 1.00 0.48 H new ATOM 0 HG23 VAL A 47 -3.463 -1.215 6.525 1.00 0.48 H new ATOM 738 N TYR A 48 -1.666 -0.091 9.287 1.00 0.34 N ATOM 739 CA TYR A 48 -1.208 1.271 9.171 1.00 0.36 C ATOM 740 C TYR A 48 -0.036 1.337 8.210 1.00 0.38 C ATOM 741 O TYR A 48 0.982 0.669 8.399 1.00 0.39 O ATOM 742 CB TYR A 48 -0.794 1.804 10.545 1.00 0.41 C ATOM 743 CG TYR A 48 -1.427 3.129 10.908 1.00 0.55 C ATOM 744 CD1 TYR A 48 -1.012 4.310 10.308 1.00 0.91 C ATOM 745 CD2 TYR A 48 -2.436 3.198 11.861 1.00 1.47 C ATOM 746 CE1 TYR A 48 -1.582 5.521 10.644 1.00 1.00 C ATOM 747 CE2 TYR A 48 -3.013 4.407 12.202 1.00 1.79 C ATOM 748 CZ TYR A 48 -2.582 5.564 11.590 1.00 1.23 C ATOM 749 OH TYR A 48 -3.151 6.768 11.925 1.00 1.60 O ATOM 0 H TYR A 48 -0.982 -0.742 9.673 1.00 0.34 H new ATOM 0 HA TYR A 48 -2.019 1.889 8.786 1.00 0.36 H new ATOM 0 HB2 TYR A 48 -1.058 1.067 11.304 1.00 0.41 H new ATOM 0 HB3 TYR A 48 0.290 1.912 10.570 1.00 0.41 H new ATOM 0 HD1 TYR A 48 -0.229 4.281 9.565 1.00 0.91 H new ATOM 0 HD2 TYR A 48 -2.775 2.293 12.343 1.00 1.47 H new ATOM 0 HE1 TYR A 48 -1.246 6.430 10.168 1.00 1.00 H new ATOM 0 HE2 TYR A 48 -3.797 4.445 12.944 1.00 1.79 H new ATOM 0 HH TYR A 48 -2.790 7.473 11.347 1.00 1.60 H new ATOM 759 N ILE A 49 -0.198 2.151 7.184 1.00 0.42 N ATOM 760 CA ILE A 49 0.826 2.345 6.179 1.00 0.44 C ATOM 761 C ILE A 49 1.568 3.623 6.495 1.00 0.42 C ATOM 762 O ILE A 49 1.073 4.727 6.257 1.00 0.52 O ATOM 763 CB ILE A 49 0.226 2.416 4.757 1.00 0.52 C ATOM 764 CG1 ILE A 49 -0.502 1.109 4.423 1.00 0.62 C ATOM 765 CG2 ILE A 49 1.313 2.705 3.732 1.00 0.58 C ATOM 766 CD1 ILE A 49 -1.140 1.098 3.050 1.00 1.20 C ATOM 0 H ILE A 49 -1.045 2.696 7.025 1.00 0.42 H new ATOM 0 HA ILE A 49 1.506 1.493 6.198 1.00 0.44 H new ATOM 0 HB ILE A 49 -0.496 3.232 4.724 1.00 0.52 H new ATOM 0 HG12 ILE A 49 0.205 0.282 4.491 1.00 0.62 H new ATOM 0 HG13 ILE A 49 -1.273 0.932 5.173 1.00 0.62 H new ATOM 0 HG21 ILE A 49 0.871 2.751 2.737 1.00 0.58 H new ATOM 0 HG22 ILE A 49 1.787 3.659 3.963 1.00 0.58 H new ATOM 0 HG23 ILE A 49 2.060 1.912 3.761 1.00 0.58 H new ATOM 0 HD11 ILE A 49 -1.636 0.141 2.887 1.00 1.20 H new ATOM 0 HD12 ILE A 49 -1.873 1.902 2.983 1.00 1.20 H new ATOM 0 HD13 ILE A 49 -0.372 1.243 2.291 1.00 1.20 H new ATOM 778 N LYS A 50 2.738 3.467 7.062 1.00 0.36 N ATOM 779 CA LYS A 50 3.474 4.590 7.585 1.00 0.37 C ATOM 780 C LYS A 50 4.815 4.697 6.898 1.00 0.35 C ATOM 781 O LYS A 50 5.359 3.707 6.419 1.00 0.36 O ATOM 782 CB LYS A 50 3.639 4.456 9.104 1.00 0.44 C ATOM 783 CG LYS A 50 2.316 4.319 9.843 1.00 0.93 C ATOM 784 CD LYS A 50 2.495 4.274 11.356 1.00 0.88 C ATOM 785 CE LYS A 50 3.214 3.015 11.819 1.00 1.35 C ATOM 786 NZ LYS A 50 3.276 2.928 13.303 1.00 1.86 N ATOM 0 H LYS A 50 3.204 2.566 7.173 1.00 0.36 H new ATOM 0 HA LYS A 50 2.917 5.505 7.386 1.00 0.37 H new ATOM 0 HB2 LYS A 50 4.260 3.586 9.320 1.00 0.44 H new ATOM 0 HB3 LYS A 50 4.170 5.329 9.483 1.00 0.44 H new ATOM 0 HG2 LYS A 50 1.669 5.156 9.582 1.00 0.93 H new ATOM 0 HG3 LYS A 50 1.811 3.411 9.513 1.00 0.93 H new ATOM 0 HD2 LYS A 50 3.058 5.150 11.679 1.00 0.88 H new ATOM 0 HD3 LYS A 50 1.518 4.328 11.836 1.00 0.88 H new ATOM 0 HE2 LYS A 50 2.701 2.138 11.425 1.00 1.35 H new ATOM 0 HE3 LYS A 50 4.225 3.003 11.412 1.00 1.35 H new ATOM 0 HZ1 LYS A 50 4.098 2.356 13.583 1.00 1.86 H new ATOM 0 HZ2 LYS A 50 3.367 3.884 13.703 1.00 1.86 H new ATOM 0 HZ3 LYS A 50 2.407 2.484 13.661 1.00 1.86 H new ATOM 800 N SER A 51 5.338 5.897 6.838 1.00 0.40 N ATOM 801 CA SER A 51 6.642 6.113 6.286 1.00 0.39 C ATOM 802 C SER A 51 7.666 5.772 7.326 1.00 0.39 C ATOM 803 O SER A 51 7.496 6.052 8.513 1.00 0.48 O ATOM 804 CB SER A 51 6.818 7.593 5.918 1.00 0.48 C ATOM 805 OG SER A 51 5.828 8.032 5.016 1.00 1.10 O ATOM 0 H SER A 51 4.872 6.742 7.169 1.00 0.40 H new ATOM 0 HA SER A 51 6.761 5.493 5.397 1.00 0.39 H new ATOM 0 HB2 SER A 51 6.779 8.199 6.823 1.00 0.48 H new ATOM 0 HB3 SER A 51 7.803 7.743 5.477 1.00 0.48 H new ATOM 0 HG SER A 51 5.972 8.979 4.807 1.00 1.10 H new ATOM 811 N THR A 52 8.714 5.127 6.873 1.00 0.35 N ATOM 812 CA THR A 52 9.887 5.025 7.671 1.00 0.41 C ATOM 813 C THR A 52 10.548 6.380 7.563 1.00 0.45 C ATOM 814 O THR A 52 10.131 7.319 8.239 1.00 0.53 O ATOM 815 CB THR A 52 10.813 3.907 7.175 1.00 0.43 C ATOM 816 OG1 THR A 52 10.027 2.772 6.795 1.00 0.62 O ATOM 817 CG2 THR A 52 11.792 3.508 8.263 1.00 0.77 C ATOM 0 H THR A 52 8.768 4.672 5.962 1.00 0.35 H new ATOM 0 HA THR A 52 9.653 4.766 8.704 1.00 0.41 H new ATOM 0 HB THR A 52 11.376 4.270 6.315 1.00 0.43 H new ATOM 0 HG1 THR A 52 9.749 2.865 5.860 1.00 0.62 H new ATOM 0 HG21 THR A 52 12.441 2.714 7.895 1.00 0.77 H new ATOM 0 HG22 THR A 52 12.397 4.371 8.543 1.00 0.77 H new ATOM 0 HG23 THR A 52 11.242 3.152 9.134 1.00 0.77 H new ATOM 825 N GLU A 53 11.552 6.519 6.743 1.00 0.46 N ATOM 826 CA GLU A 53 11.983 7.865 6.407 1.00 0.53 C ATOM 827 C GLU A 53 11.259 8.338 5.146 1.00 0.44 C ATOM 828 O GLU A 53 10.705 9.432 5.092 1.00 0.47 O ATOM 829 CB GLU A 53 13.497 7.922 6.199 1.00 0.68 C ATOM 830 CG GLU A 53 14.009 9.316 5.868 1.00 1.43 C ATOM 831 CD GLU A 53 15.512 9.365 5.702 1.00 1.83 C ATOM 832 OE1 GLU A 53 15.992 9.147 4.570 1.00 2.55 O ATOM 833 OE2 GLU A 53 16.218 9.620 6.698 1.00 2.11 O ATOM 0 H GLU A 53 12.074 5.759 6.306 1.00 0.46 H new ATOM 0 HA GLU A 53 11.733 8.525 7.237 1.00 0.53 H new ATOM 0 HB2 GLU A 53 13.994 7.565 7.101 1.00 0.68 H new ATOM 0 HB3 GLU A 53 13.772 7.241 5.393 1.00 0.68 H new ATOM 0 HG2 GLU A 53 13.535 9.663 4.950 1.00 1.43 H new ATOM 0 HG3 GLU A 53 13.713 10.004 6.660 1.00 1.43 H new ATOM 840 N THR A 54 11.261 7.470 4.148 1.00 0.36 N ATOM 841 CA THR A 54 10.677 7.754 2.844 1.00 0.30 C ATOM 842 C THR A 54 9.449 6.903 2.522 1.00 0.31 C ATOM 843 O THR A 54 9.118 6.749 1.351 1.00 0.38 O ATOM 844 CB THR A 54 11.726 7.515 1.754 1.00 0.40 C ATOM 845 OG1 THR A 54 12.252 6.195 1.907 1.00 1.13 O ATOM 846 CG2 THR A 54 12.854 8.533 1.840 1.00 0.93 C ATOM 0 H THR A 54 11.672 6.539 4.219 1.00 0.36 H new ATOM 0 HA THR A 54 10.353 8.794 2.875 1.00 0.30 H new ATOM 0 HB THR A 54 11.253 7.625 0.778 1.00 0.40 H new ATOM 0 HG1 THR A 54 13.164 6.163 1.549 1.00 1.13 H new ATOM 0 HG21 THR A 54 13.582 8.336 1.053 1.00 0.93 H new ATOM 0 HG22 THR A 54 12.448 9.537 1.716 1.00 0.93 H new ATOM 0 HG23 THR A 54 13.341 8.456 2.812 1.00 0.93 H new ATOM 854 N GLY A 55 8.777 6.322 3.505 1.00 0.33 N ATOM 855 CA GLY A 55 8.109 5.078 3.188 1.00 0.40 C ATOM 856 C GLY A 55 6.682 5.132 2.697 1.00 0.46 C ATOM 857 O GLY A 55 6.321 4.219 1.962 1.00 0.56 O ATOM 0 H GLY A 55 8.684 6.663 4.462 1.00 0.33 H new ATOM 0 HA2 GLY A 55 8.702 4.567 2.429 1.00 0.40 H new ATOM 0 HA3 GLY A 55 8.129 4.454 4.081 1.00 0.40 H new ATOM 861 N GLN A 56 5.914 6.188 2.998 1.00 0.43 N ATOM 862 CA GLN A 56 4.626 6.439 2.308 1.00 0.54 C ATOM 863 C GLN A 56 3.658 7.304 3.112 1.00 0.56 C ATOM 864 O GLN A 56 3.293 6.993 4.243 1.00 0.63 O ATOM 865 CB GLN A 56 3.887 5.128 2.002 1.00 0.81 C ATOM 866 CG GLN A 56 2.618 5.318 1.214 1.00 0.91 C ATOM 867 CD GLN A 56 2.841 6.106 -0.054 1.00 1.20 C ATOM 868 OE1 GLN A 56 1.839 6.861 -0.452 1.00 2.18 O flip ATOM 869 NE2 GLN A 56 3.902 6.054 -0.659 1.00 1.06 N flip ATOM 0 H GLN A 56 6.153 6.881 3.707 1.00 0.43 H new ATOM 0 HA GLN A 56 4.909 6.964 1.396 1.00 0.54 H new ATOM 0 HB2 GLN A 56 4.553 4.467 1.448 1.00 0.81 H new ATOM 0 HB3 GLN A 56 3.650 4.627 2.941 1.00 0.81 H new ATOM 0 HG2 GLN A 56 2.199 4.343 0.964 1.00 0.91 H new ATOM 0 HG3 GLN A 56 1.882 5.831 1.833 1.00 0.91 H new ATOM 0 HE21 GLN A 56 4.655 5.456 -0.318 1.00 1.06 H new ATOM 0 HE22 GLN A 56 4.034 6.608 -1.505 1.00 1.06 H new ATOM 878 N TYR A 57 3.131 8.315 2.443 1.00 0.57 N ATOM 879 CA TYR A 57 2.089 9.154 3.002 1.00 0.62 C ATOM 880 C TYR A 57 0.803 8.825 2.308 1.00 0.59 C ATOM 881 O TYR A 57 0.177 9.663 1.681 1.00 0.67 O ATOM 882 CB TYR A 57 2.472 10.639 2.863 1.00 0.76 C ATOM 883 CG TYR A 57 1.354 11.658 2.994 1.00 1.77 C ATOM 884 CD1 TYR A 57 0.533 11.656 4.117 1.00 2.17 C ATOM 885 CD2 TYR A 57 1.124 12.615 2.015 1.00 2.59 C ATOM 886 CE1 TYR A 57 -0.484 12.579 4.260 1.00 3.20 C ATOM 887 CE2 TYR A 57 0.108 13.540 2.152 1.00 3.64 C ATOM 888 CZ TYR A 57 -0.695 13.527 3.195 1.00 3.91 C ATOM 889 OH TYR A 57 -1.704 14.442 3.417 1.00 4.98 O ATOM 0 H TYR A 57 3.414 8.576 1.498 1.00 0.57 H new ATOM 0 HA TYR A 57 1.965 8.965 4.068 1.00 0.62 H new ATOM 0 HB2 TYR A 57 3.226 10.866 3.617 1.00 0.76 H new ATOM 0 HB3 TYR A 57 2.943 10.777 1.890 1.00 0.76 H new ATOM 0 HD1 TYR A 57 0.694 10.920 4.891 1.00 2.17 H new ATOM 0 HD2 TYR A 57 1.748 12.636 1.134 1.00 2.59 H new ATOM 0 HE1 TYR A 57 -1.104 12.590 5.145 1.00 3.20 H new ATOM 0 HE2 TYR A 57 -0.031 14.290 1.387 1.00 3.64 H new ATOM 0 HH TYR A 57 -2.482 13.985 3.798 1.00 4.98 H new ATOM 899 N LEU A 58 0.376 7.598 2.444 1.00 0.55 N ATOM 900 CA LEU A 58 -0.669 7.131 1.570 1.00 0.58 C ATOM 901 C LEU A 58 -1.998 7.700 1.963 1.00 0.56 C ATOM 902 O LEU A 58 -2.677 7.250 2.867 1.00 0.72 O ATOM 903 CB LEU A 58 -0.719 5.623 1.479 1.00 0.70 C ATOM 904 CG LEU A 58 -0.765 5.162 0.034 1.00 1.32 C ATOM 905 CD1 LEU A 58 -0.276 3.729 -0.095 1.00 1.59 C ATOM 906 CD2 LEU A 58 -2.174 5.293 -0.527 1.00 1.85 C ATOM 0 H LEU A 58 0.720 6.923 3.127 1.00 0.55 H new ATOM 0 HA LEU A 58 -0.429 7.494 0.571 1.00 0.58 H new ATOM 0 HB2 LEU A 58 0.155 5.197 1.972 1.00 0.70 H new ATOM 0 HB3 LEU A 58 -1.596 5.253 2.010 1.00 0.70 H new ATOM 0 HG LEU A 58 -0.100 5.803 -0.544 1.00 1.32 H new ATOM 0 HD11 LEU A 58 -0.319 3.423 -1.140 1.00 1.59 H new ATOM 0 HD12 LEU A 58 0.752 3.662 0.261 1.00 1.59 H new ATOM 0 HD13 LEU A 58 -0.910 3.073 0.502 1.00 1.59 H new ATOM 0 HD21 LEU A 58 -2.185 4.957 -1.564 1.00 1.85 H new ATOM 0 HD22 LEU A 58 -2.858 4.680 0.060 1.00 1.85 H new ATOM 0 HD23 LEU A 58 -2.489 6.335 -0.480 1.00 1.85 H new ATOM 918 N ALA A 59 -2.337 8.710 1.224 1.00 0.47 N ATOM 919 CA ALA A 59 -3.515 9.487 1.459 1.00 0.46 C ATOM 920 C ALA A 59 -4.586 9.055 0.482 1.00 0.46 C ATOM 921 O ALA A 59 -4.436 9.220 -0.731 1.00 0.51 O ATOM 922 CB ALA A 59 -3.181 10.966 1.310 1.00 0.54 C ATOM 0 H ALA A 59 -1.790 9.025 0.422 1.00 0.47 H new ATOM 0 HA ALA A 59 -3.888 9.329 2.471 1.00 0.46 H new ATOM 0 HB1 ALA A 59 -4.077 11.561 1.488 1.00 0.54 H new ATOM 0 HB2 ALA A 59 -2.413 11.240 2.033 1.00 0.54 H new ATOM 0 HB3 ALA A 59 -2.814 11.156 0.301 1.00 0.54 H new ATOM 928 N MET A 60 -5.653 8.479 0.997 1.00 0.48 N ATOM 929 CA MET A 60 -6.735 8.042 0.136 1.00 0.52 C ATOM 930 C MET A 60 -7.638 9.228 -0.197 1.00 0.55 C ATOM 931 O MET A 60 -8.180 9.872 0.701 1.00 0.74 O ATOM 932 CB MET A 60 -7.538 6.969 0.872 1.00 0.66 C ATOM 933 CG MET A 60 -7.569 5.617 0.184 1.00 1.76 C ATOM 934 SD MET A 60 -8.356 5.675 -1.432 1.00 2.80 S ATOM 935 CE MET A 60 -8.661 3.931 -1.715 1.00 3.74 C ATOM 0 H MET A 60 -5.795 8.304 1.992 1.00 0.48 H new ATOM 0 HA MET A 60 -6.334 7.635 -0.792 1.00 0.52 H new ATOM 0 HB2 MET A 60 -7.121 6.844 1.871 1.00 0.66 H new ATOM 0 HB3 MET A 60 -8.562 7.322 0.996 1.00 0.66 H new ATOM 0 HG2 MET A 60 -6.550 5.247 0.073 1.00 1.76 H new ATOM 0 HG3 MET A 60 -8.100 4.905 0.816 1.00 1.76 H new ATOM 0 HE1 MET A 60 -9.673 3.796 -2.096 1.00 3.74 H new ATOM 0 HE2 MET A 60 -7.945 3.550 -2.443 1.00 3.74 H new ATOM 0 HE3 MET A 60 -8.551 3.386 -0.778 1.00 3.74 H new ATOM 945 N ASP A 61 -7.788 9.526 -1.490 1.00 0.51 N ATOM 946 CA ASP A 61 -8.519 10.717 -1.907 1.00 0.56 C ATOM 947 C ASP A 61 -9.892 10.378 -2.354 1.00 0.56 C ATOM 948 O ASP A 61 -10.094 9.822 -3.440 1.00 0.64 O ATOM 949 CB ASP A 61 -7.797 11.484 -2.992 1.00 0.71 C ATOM 950 CG ASP A 61 -8.701 12.416 -3.788 1.00 1.02 C ATOM 951 OD1 ASP A 61 -9.030 13.514 -3.286 1.00 1.58 O ATOM 952 OD2 ASP A 61 -9.102 12.046 -4.909 1.00 1.34 O ATOM 0 H ASP A 61 -7.416 8.964 -2.256 1.00 0.51 H new ATOM 0 HA ASP A 61 -8.582 11.361 -1.030 1.00 0.56 H new ATOM 0 HB2 ASP A 61 -6.996 12.068 -2.540 1.00 0.71 H new ATOM 0 HB3 ASP A 61 -7.329 10.776 -3.675 1.00 0.71 H new ATOM 957 N THR A 62 -10.819 10.767 -1.505 1.00 0.65 N ATOM 958 CA THR A 62 -12.209 10.381 -1.551 1.00 0.83 C ATOM 959 C THR A 62 -12.343 8.866 -1.455 1.00 0.87 C ATOM 960 O THR A 62 -13.123 8.375 -0.630 1.00 1.31 O ATOM 961 CB THR A 62 -12.950 10.960 -2.770 1.00 0.97 C ATOM 962 OG1 THR A 62 -12.464 10.421 -4.006 1.00 1.47 O ATOM 963 CG2 THR A 62 -12.833 12.478 -2.800 1.00 1.55 C ATOM 0 H THR A 62 -10.611 11.392 -0.726 1.00 0.65 H new ATOM 0 HA THR A 62 -12.700 10.818 -0.682 1.00 0.83 H new ATOM 0 HB THR A 62 -13.997 10.675 -2.665 1.00 0.97 H new ATOM 0 HG1 THR A 62 -11.488 10.506 -4.039 1.00 1.47 H new ATOM 0 HG21 THR A 62 -13.364 12.867 -3.669 1.00 1.55 H new ATOM 0 HG22 THR A 62 -13.270 12.895 -1.892 1.00 1.55 H new ATOM 0 HG23 THR A 62 -11.782 12.761 -2.860 1.00 1.55 H new ATOM 971 N ASP A 63 -11.569 8.174 -2.309 1.00 0.78 N ATOM 972 CA ASP A 63 -11.280 6.734 -2.231 1.00 0.88 C ATOM 973 C ASP A 63 -11.003 6.160 -3.629 1.00 0.87 C ATOM 974 O ASP A 63 -10.955 4.949 -3.816 1.00 0.96 O ATOM 975 CB ASP A 63 -12.422 5.977 -1.580 1.00 1.05 C ATOM 976 CG ASP A 63 -11.962 4.804 -0.749 1.00 1.19 C ATOM 977 OD1 ASP A 63 -11.739 4.992 0.473 1.00 1.54 O ATOM 978 OD2 ASP A 63 -11.891 3.685 -1.285 1.00 1.42 O ATOM 0 H ASP A 63 -11.110 8.621 -3.103 1.00 0.78 H new ATOM 0 HA ASP A 63 -10.390 6.611 -1.613 1.00 0.88 H new ATOM 0 HB2 ASP A 63 -12.989 6.661 -0.949 1.00 1.05 H new ATOM 0 HB3 ASP A 63 -13.101 5.621 -2.355 1.00 1.05 H new ATOM 983 N GLY A 64 -10.788 7.039 -4.605 1.00 0.82 N ATOM 984 CA GLY A 64 -10.683 6.601 -5.993 1.00 0.89 C ATOM 985 C GLY A 64 -9.256 6.601 -6.493 1.00 0.90 C ATOM 986 O GLY A 64 -8.829 5.709 -7.230 1.00 1.17 O ATOM 0 H GLY A 64 -10.685 8.044 -4.464 1.00 0.82 H new ATOM 0 HA2 GLY A 64 -11.097 5.597 -6.086 1.00 0.89 H new ATOM 0 HA3 GLY A 64 -11.286 7.255 -6.624 1.00 0.89 H new ATOM 990 N LEU A 65 -8.529 7.623 -6.108 1.00 0.72 N ATOM 991 CA LEU A 65 -7.106 7.721 -6.382 1.00 0.71 C ATOM 992 C LEU A 65 -6.393 7.978 -5.076 1.00 0.67 C ATOM 993 O LEU A 65 -6.696 8.937 -4.369 1.00 0.79 O ATOM 994 CB LEU A 65 -6.815 8.829 -7.400 1.00 0.74 C ATOM 995 CG LEU A 65 -5.429 9.487 -7.307 1.00 1.41 C ATOM 996 CD1 LEU A 65 -4.333 8.522 -7.727 1.00 2.03 C ATOM 997 CD2 LEU A 65 -5.383 10.746 -8.158 1.00 2.04 C ATOM 0 H LEU A 65 -8.906 8.418 -5.592 1.00 0.72 H new ATOM 0 HA LEU A 65 -6.748 6.790 -6.821 1.00 0.71 H new ATOM 0 HB2 LEU A 65 -6.931 8.414 -8.401 1.00 0.74 H new ATOM 0 HB3 LEU A 65 -7.572 9.606 -7.287 1.00 0.74 H new ATOM 0 HG LEU A 65 -5.255 9.760 -6.266 1.00 1.41 H new ATOM 0 HD11 LEU A 65 -3.364 9.016 -7.651 1.00 2.03 H new ATOM 0 HD12 LEU A 65 -4.347 7.649 -7.075 1.00 2.03 H new ATOM 0 HD13 LEU A 65 -4.500 8.208 -8.757 1.00 2.03 H new ATOM 0 HD21 LEU A 65 -4.395 11.201 -8.082 1.00 2.04 H new ATOM 0 HD22 LEU A 65 -5.585 10.490 -9.198 1.00 2.04 H new ATOM 0 HD23 LEU A 65 -6.135 11.451 -7.805 1.00 2.04 H new ATOM 1009 N LEU A 66 -5.484 7.099 -4.728 1.00 0.65 N ATOM 1010 CA LEU A 66 -4.844 7.187 -3.436 1.00 0.68 C ATOM 1011 C LEU A 66 -3.363 7.503 -3.599 1.00 0.63 C ATOM 1012 O LEU A 66 -2.572 6.687 -4.068 1.00 0.73 O ATOM 1013 CB LEU A 66 -5.086 5.878 -2.653 1.00 0.90 C ATOM 1014 CG LEU A 66 -5.235 4.592 -3.497 1.00 0.79 C ATOM 1015 CD1 LEU A 66 -5.218 3.361 -2.626 1.00 1.55 C ATOM 1016 CD2 LEU A 66 -6.515 4.570 -4.321 1.00 1.56 C ATOM 0 H LEU A 66 -5.173 6.323 -5.313 1.00 0.65 H new ATOM 0 HA LEU A 66 -5.278 8.004 -2.860 1.00 0.68 H new ATOM 0 HB2 LEU A 66 -4.258 5.737 -1.958 1.00 0.90 H new ATOM 0 HB3 LEU A 66 -5.988 6.000 -2.053 1.00 0.90 H new ATOM 0 HG LEU A 66 -4.382 4.590 -4.175 1.00 0.79 H new ATOM 0 HD11 LEU A 66 -5.325 2.473 -3.249 1.00 1.55 H new ATOM 0 HD12 LEU A 66 -4.274 3.312 -2.083 1.00 1.55 H new ATOM 0 HD13 LEU A 66 -6.043 3.407 -1.915 1.00 1.55 H new ATOM 0 HD21 LEU A 66 -6.564 3.643 -4.892 1.00 1.56 H new ATOM 0 HD22 LEU A 66 -7.377 4.633 -3.656 1.00 1.56 H new ATOM 0 HD23 LEU A 66 -6.522 5.419 -5.005 1.00 1.56 H new ATOM 1028 N TYR A 67 -2.978 8.697 -3.192 1.00 0.62 N ATOM 1029 CA TYR A 67 -1.618 9.134 -3.443 1.00 0.63 C ATOM 1030 C TYR A 67 -0.981 9.635 -2.165 1.00 0.70 C ATOM 1031 O TYR A 67 -1.641 10.278 -1.360 1.00 0.98 O ATOM 1032 CB TYR A 67 -1.633 10.236 -4.513 1.00 0.91 C ATOM 1033 CG TYR A 67 -2.415 11.475 -4.112 1.00 0.72 C ATOM 1034 CD1 TYR A 67 -3.793 11.540 -4.287 1.00 0.75 C ATOM 1035 CD2 TYR A 67 -1.774 12.584 -3.569 1.00 0.84 C ATOM 1036 CE1 TYR A 67 -4.507 12.667 -3.937 1.00 0.95 C ATOM 1037 CE2 TYR A 67 -2.485 13.715 -3.213 1.00 1.16 C ATOM 1038 CZ TYR A 67 -3.845 13.739 -3.357 1.00 1.21 C ATOM 1039 OH TYR A 67 -4.559 14.880 -3.057 1.00 1.64 O ATOM 0 H TYR A 67 -3.569 9.366 -2.699 1.00 0.62 H new ATOM 0 HA TYR A 67 -1.026 8.293 -3.804 1.00 0.63 H new ATOM 0 HB2 TYR A 67 -0.606 10.524 -4.738 1.00 0.91 H new ATOM 0 HB3 TYR A 67 -2.059 9.831 -5.431 1.00 0.91 H new ATOM 0 HD1 TYR A 67 -4.314 10.692 -4.705 1.00 0.75 H new ATOM 0 HD2 TYR A 67 -0.704 12.561 -3.423 1.00 0.84 H new ATOM 0 HE1 TYR A 67 -5.572 12.714 -4.113 1.00 0.95 H new ATOM 0 HE2 TYR A 67 -1.967 14.578 -2.822 1.00 1.16 H new ATOM 0 HH TYR A 67 -3.961 15.544 -2.655 1.00 1.64 H new ATOM 1049 N GLY A 68 0.312 9.405 -2.010 1.00 0.66 N ATOM 1050 CA GLY A 68 0.990 9.885 -0.836 1.00 0.80 C ATOM 1051 C GLY A 68 2.485 9.814 -0.939 1.00 0.81 C ATOM 1052 O GLY A 68 3.003 9.061 -1.752 1.00 0.85 O ATOM 0 H GLY A 68 0.897 8.898 -2.674 1.00 0.66 H new ATOM 0 HA2 GLY A 68 0.695 10.918 -0.652 1.00 0.80 H new ATOM 0 HA3 GLY A 68 0.665 9.302 0.026 1.00 0.80 H new ATOM 1056 N SER A 69 3.186 10.568 -0.111 1.00 0.91 N ATOM 1057 CA SER A 69 4.644 10.359 0.009 1.00 1.08 C ATOM 1058 C SER A 69 5.297 10.648 1.384 1.00 1.38 C ATOM 1059 O SER A 69 5.965 9.776 1.933 1.00 1.62 O ATOM 1060 CB SER A 69 5.359 11.192 -1.045 1.00 1.08 C ATOM 1061 OG SER A 69 4.940 10.837 -2.353 1.00 1.39 O ATOM 0 H SER A 69 2.800 11.309 0.475 1.00 0.91 H new ATOM 0 HA SER A 69 4.761 9.284 -0.131 1.00 1.08 H new ATOM 0 HB2 SER A 69 5.161 12.250 -0.872 1.00 1.08 H new ATOM 0 HB3 SER A 69 6.436 11.050 -0.955 1.00 1.08 H new ATOM 0 HG SER A 69 4.525 9.949 -2.334 1.00 1.39 H new ATOM 1067 N GLN A 70 5.083 11.830 1.961 1.00 1.49 N ATOM 1068 CA GLN A 70 5.974 12.299 3.046 1.00 1.85 C ATOM 1069 C GLN A 70 5.678 11.744 4.452 1.00 1.93 C ATOM 1070 O GLN A 70 6.591 11.359 5.177 1.00 2.19 O ATOM 1071 CB GLN A 70 5.971 13.832 3.124 1.00 2.07 C ATOM 1072 CG GLN A 70 6.532 14.531 1.893 1.00 2.63 C ATOM 1073 CD GLN A 70 5.492 14.769 0.816 1.00 3.22 C ATOM 1074 OE1 GLN A 70 5.274 13.929 -0.048 1.00 3.66 O ATOM 1075 NE2 GLN A 70 4.843 15.919 0.862 1.00 3.79 N ATOM 0 H GLN A 70 4.328 12.470 1.713 1.00 1.49 H new ATOM 0 HA GLN A 70 6.950 11.905 2.763 1.00 1.85 H new ATOM 0 HB2 GLN A 70 4.948 14.172 3.284 1.00 2.07 H new ATOM 0 HB3 GLN A 70 6.549 14.139 3.995 1.00 2.07 H new ATOM 0 HG2 GLN A 70 6.963 15.487 2.191 1.00 2.63 H new ATOM 0 HG3 GLN A 70 7.343 13.931 1.480 1.00 2.63 H new ATOM 0 HE21 GLN A 70 5.053 16.594 1.598 1.00 3.79 H new ATOM 0 HE22 GLN A 70 4.132 16.132 0.162 1.00 3.79 H new ATOM 1084 N THR A 71 4.414 11.683 4.819 1.00 1.75 N ATOM 1085 CA THR A 71 4.030 11.493 6.233 1.00 1.78 C ATOM 1086 C THR A 71 3.048 10.334 6.439 1.00 1.56 C ATOM 1087 O THR A 71 2.610 9.733 5.495 1.00 1.63 O ATOM 1088 CB THR A 71 3.401 12.795 6.758 1.00 1.94 C ATOM 1089 OG1 THR A 71 2.881 13.556 5.654 1.00 2.26 O ATOM 1090 CG2 THR A 71 4.421 13.625 7.523 1.00 2.31 C ATOM 0 H THR A 71 3.628 11.760 4.174 1.00 1.75 H new ATOM 0 HA THR A 71 4.936 11.242 6.785 1.00 1.78 H new ATOM 0 HB THR A 71 2.592 12.538 7.441 1.00 1.94 H new ATOM 0 HG1 THR A 71 2.176 13.043 5.206 1.00 2.26 H new ATOM 0 HG21 THR A 71 3.950 14.540 7.883 1.00 2.31 H new ATOM 0 HG22 THR A 71 4.794 13.051 8.371 1.00 2.31 H new ATOM 0 HG23 THR A 71 5.251 13.880 6.864 1.00 2.31 H new ATOM 1098 N PRO A 72 2.697 9.966 7.676 1.00 1.41 N ATOM 1099 CA PRO A 72 1.593 9.055 7.903 1.00 1.20 C ATOM 1100 C PRO A 72 0.441 9.686 8.702 1.00 1.04 C ATOM 1101 O PRO A 72 0.548 9.892 9.916 1.00 1.06 O ATOM 1102 CB PRO A 72 2.278 8.012 8.770 1.00 1.31 C ATOM 1103 CG PRO A 72 3.321 8.787 9.556 1.00 1.49 C ATOM 1104 CD PRO A 72 3.434 10.165 8.916 1.00 1.53 C ATOM 0 HA PRO A 72 1.134 8.706 6.978 1.00 1.20 H new ATOM 0 HB2 PRO A 72 1.567 7.520 9.434 1.00 1.31 H new ATOM 0 HB3 PRO A 72 2.738 7.233 8.163 1.00 1.31 H new ATOM 0 HG2 PRO A 72 3.030 8.872 10.603 1.00 1.49 H new ATOM 0 HG3 PRO A 72 4.281 8.272 9.533 1.00 1.49 H new ATOM 0 HD2 PRO A 72 2.991 10.944 9.537 1.00 1.53 H new ATOM 0 HD3 PRO A 72 4.470 10.451 8.737 1.00 1.53 H new ATOM 1112 N ASN A 73 -0.659 9.998 8.026 1.00 0.94 N ATOM 1113 CA ASN A 73 -1.833 10.533 8.700 1.00 0.86 C ATOM 1114 C ASN A 73 -2.685 9.353 9.015 1.00 0.68 C ATOM 1115 O ASN A 73 -2.292 8.228 8.693 1.00 0.71 O ATOM 1116 CB ASN A 73 -2.612 11.517 7.820 1.00 0.98 C ATOM 1117 CG ASN A 73 -1.881 12.818 7.575 1.00 1.57 C ATOM 1118 OD1 ASN A 73 -1.009 13.215 8.347 1.00 2.21 O ATOM 1119 ND2 ASN A 73 -2.259 13.510 6.514 1.00 2.17 N ATOM 0 H ASN A 73 -0.761 9.890 7.017 1.00 0.94 H new ATOM 0 HA ASN A 73 -1.538 11.091 9.589 1.00 0.86 H new ATOM 0 HB2 ASN A 73 -2.826 11.044 6.862 1.00 0.98 H new ATOM 0 HB3 ASN A 73 -3.571 11.732 8.291 1.00 0.98 H new ATOM 0 HD21 ASN A 73 -1.823 14.410 6.310 1.00 2.17 H new ATOM 0 HD22 ASN A 73 -2.986 13.144 5.899 1.00 2.17 H new ATOM 1126 N GLU A 74 -3.868 9.530 9.551 1.00 0.59 N ATOM 1127 CA GLU A 74 -4.743 8.478 9.232 1.00 0.47 C ATOM 1128 C GLU A 74 -5.646 9.016 8.166 1.00 0.52 C ATOM 1129 O GLU A 74 -6.649 9.697 8.365 1.00 0.64 O ATOM 1130 CB GLU A 74 -5.527 8.012 10.462 1.00 0.49 C ATOM 1131 CG GLU A 74 -6.218 9.125 11.236 1.00 1.15 C ATOM 1132 CD GLU A 74 -7.002 8.600 12.419 1.00 1.51 C ATOM 1133 OE1 GLU A 74 -8.148 8.145 12.219 1.00 1.84 O ATOM 1134 OE2 GLU A 74 -6.475 8.647 13.553 1.00 2.11 O ATOM 0 H GLU A 74 -4.202 10.296 10.136 1.00 0.59 H new ATOM 0 HA GLU A 74 -4.204 7.597 8.883 1.00 0.47 H new ATOM 0 HB2 GLU A 74 -6.278 7.289 10.144 1.00 0.49 H new ATOM 0 HB3 GLU A 74 -4.846 7.490 11.134 1.00 0.49 H new ATOM 0 HG2 GLU A 74 -5.472 9.839 11.585 1.00 1.15 H new ATOM 0 HG3 GLU A 74 -6.889 9.666 10.569 1.00 1.15 H new ATOM 1141 N GLU A 75 -5.207 8.614 7.012 1.00 0.49 N ATOM 1142 CA GLU A 75 -5.909 8.573 5.771 1.00 0.52 C ATOM 1143 C GLU A 75 -5.541 7.257 5.131 1.00 0.40 C ATOM 1144 O GLU A 75 -6.237 6.744 4.251 1.00 0.47 O ATOM 1145 CB GLU A 75 -5.470 9.725 4.881 1.00 0.69 C ATOM 1146 CG GLU A 75 -5.784 11.093 5.465 1.00 0.89 C ATOM 1147 CD GLU A 75 -5.352 12.231 4.566 1.00 1.40 C ATOM 1148 OE1 GLU A 75 -6.068 12.522 3.586 1.00 1.69 O ATOM 1149 OE2 GLU A 75 -4.284 12.824 4.822 1.00 2.16 O ATOM 0 H GLU A 75 -4.251 8.273 6.910 1.00 0.49 H new ATOM 0 HA GLU A 75 -6.985 8.663 5.917 1.00 0.52 H new ATOM 0 HB2 GLU A 75 -4.397 9.651 4.706 1.00 0.69 H new ATOM 0 HB3 GLU A 75 -5.958 9.631 3.911 1.00 0.69 H new ATOM 0 HG2 GLU A 75 -6.856 11.167 5.647 1.00 0.89 H new ATOM 0 HG3 GLU A 75 -5.289 11.192 6.431 1.00 0.89 H new ATOM 1156 N CYS A 76 -4.340 6.779 5.526 1.00 0.37 N ATOM 1157 CA CYS A 76 -3.784 5.560 4.973 1.00 0.47 C ATOM 1158 C CYS A 76 -4.295 4.287 5.656 1.00 0.40 C ATOM 1159 O CYS A 76 -3.963 3.193 5.220 1.00 0.48 O ATOM 1160 CB CYS A 76 -2.259 5.591 5.090 1.00 0.68 C ATOM 1161 SG CYS A 76 -1.651 5.858 6.770 1.00 1.40 S ATOM 0 H CYS A 76 -3.751 7.230 6.226 1.00 0.37 H new ATOM 0 HA CYS A 76 -4.106 5.525 3.932 1.00 0.47 H new ATOM 0 HB2 CYS A 76 -1.858 4.649 4.716 1.00 0.68 H new ATOM 0 HB3 CYS A 76 -1.872 6.381 4.446 1.00 0.68 H new ATOM 0 HG CYS A 76 -0.481 5.307 6.901 1.00 1.40 H new ATOM 1167 N LEU A 77 -5.088 4.400 6.715 1.00 0.37 N ATOM 1168 CA LEU A 77 -5.445 3.207 7.468 1.00 0.46 C ATOM 1169 C LEU A 77 -6.558 2.450 6.772 1.00 0.39 C ATOM 1170 O LEU A 77 -7.562 3.030 6.342 1.00 0.40 O ATOM 1171 CB LEU A 77 -5.783 3.511 8.946 1.00 0.66 C ATOM 1172 CG LEU A 77 -6.869 4.558 9.245 1.00 0.96 C ATOM 1173 CD1 LEU A 77 -8.267 4.016 8.981 1.00 1.63 C ATOM 1174 CD2 LEU A 77 -6.760 5.002 10.692 1.00 1.59 C ATOM 0 H LEU A 77 -5.484 5.274 7.062 1.00 0.37 H new ATOM 0 HA LEU A 77 -4.565 2.564 7.494 1.00 0.46 H new ATOM 0 HB2 LEU A 77 -6.084 2.576 9.417 1.00 0.66 H new ATOM 0 HB3 LEU A 77 -4.865 3.834 9.437 1.00 0.66 H new ATOM 0 HG LEU A 77 -6.709 5.405 8.578 1.00 0.96 H new ATOM 0 HD11 LEU A 77 -9.004 4.787 9.205 1.00 1.63 H new ATOM 0 HD12 LEU A 77 -8.353 3.725 7.934 1.00 1.63 H new ATOM 0 HD13 LEU A 77 -8.446 3.148 9.615 1.00 1.63 H new ATOM 0 HD21 LEU A 77 -7.530 5.744 10.904 1.00 1.59 H new ATOM 0 HD22 LEU A 77 -6.895 4.142 11.348 1.00 1.59 H new ATOM 0 HD23 LEU A 77 -5.777 5.439 10.865 1.00 1.59 H new ATOM 1186 N PHE A 78 -6.356 1.157 6.612 1.00 0.39 N ATOM 1187 CA PHE A 78 -7.331 0.327 5.947 1.00 0.39 C ATOM 1188 C PHE A 78 -7.553 -0.960 6.747 1.00 0.36 C ATOM 1189 O PHE A 78 -6.752 -1.306 7.616 1.00 0.41 O ATOM 1190 CB PHE A 78 -6.902 -0.003 4.506 1.00 0.53 C ATOM 1191 CG PHE A 78 -6.350 1.165 3.730 1.00 0.56 C ATOM 1192 CD1 PHE A 78 -7.141 2.273 3.466 1.00 0.66 C ATOM 1193 CD2 PHE A 78 -5.039 1.160 3.274 1.00 0.65 C ATOM 1194 CE1 PHE A 78 -6.637 3.350 2.760 1.00 0.81 C ATOM 1195 CE2 PHE A 78 -4.531 2.234 2.566 1.00 0.78 C ATOM 1196 CZ PHE A 78 -5.327 3.314 2.286 1.00 0.84 C ATOM 0 H PHE A 78 -5.525 0.662 6.935 1.00 0.39 H new ATOM 0 HA PHE A 78 -8.268 0.882 5.892 1.00 0.39 H new ATOM 0 HB2 PHE A 78 -6.148 -0.790 4.537 1.00 0.53 H new ATOM 0 HB3 PHE A 78 -7.761 -0.405 3.969 1.00 0.53 H new ATOM 0 HD1 PHE A 78 -8.163 2.295 3.816 1.00 0.66 H new ATOM 0 HD2 PHE A 78 -4.408 0.307 3.475 1.00 0.65 H new ATOM 0 HE1 PHE A 78 -7.256 4.216 2.577 1.00 0.81 H new ATOM 0 HE2 PHE A 78 -3.504 2.222 2.233 1.00 0.78 H new ATOM 0 HZ PHE A 78 -4.940 4.135 1.700 1.00 0.84 H new ATOM 1206 N LEU A 79 -8.655 -1.643 6.467 1.00 0.37 N ATOM 1207 CA LEU A 79 -9.027 -2.866 7.180 1.00 0.37 C ATOM 1208 C LEU A 79 -8.419 -4.072 6.476 1.00 0.35 C ATOM 1209 O LEU A 79 -8.435 -4.141 5.248 1.00 0.35 O ATOM 1210 CB LEU A 79 -10.558 -2.985 7.264 1.00 0.44 C ATOM 1211 CG LEU A 79 -11.103 -4.119 8.144 1.00 0.55 C ATOM 1212 CD1 LEU A 79 -12.466 -3.742 8.701 1.00 1.02 C ATOM 1213 CD2 LEU A 79 -11.214 -5.416 7.357 1.00 1.09 C ATOM 0 H LEU A 79 -9.317 -1.369 5.741 1.00 0.37 H new ATOM 0 HA LEU A 79 -8.638 -2.828 8.197 1.00 0.37 H new ATOM 0 HB2 LEU A 79 -10.955 -2.041 7.637 1.00 0.44 H new ATOM 0 HB3 LEU A 79 -10.947 -3.118 6.255 1.00 0.44 H new ATOM 0 HG LEU A 79 -10.404 -4.271 8.967 1.00 0.55 H new ATOM 0 HD11 LEU A 79 -12.842 -4.554 9.323 1.00 1.02 H new ATOM 0 HD12 LEU A 79 -12.376 -2.837 9.301 1.00 1.02 H new ATOM 0 HD13 LEU A 79 -13.159 -3.565 7.878 1.00 1.02 H new ATOM 0 HD21 LEU A 79 -11.602 -6.202 8.004 1.00 1.09 H new ATOM 0 HD22 LEU A 79 -11.890 -5.273 6.514 1.00 1.09 H new ATOM 0 HD23 LEU A 79 -10.229 -5.703 6.988 1.00 1.09 H new ATOM 1225 N GLU A 80 -7.889 -5.018 7.243 1.00 0.39 N ATOM 1226 CA GLU A 80 -7.128 -6.114 6.663 1.00 0.42 C ATOM 1227 C GLU A 80 -7.991 -7.356 6.433 1.00 0.40 C ATOM 1228 O GLU A 80 -8.696 -7.826 7.328 1.00 0.51 O ATOM 1229 CB GLU A 80 -5.947 -6.490 7.566 1.00 0.57 C ATOM 1230 CG GLU A 80 -5.067 -7.580 6.966 1.00 0.97 C ATOM 1231 CD GLU A 80 -3.848 -7.898 7.805 1.00 1.40 C ATOM 1232 OE1 GLU A 80 -4.002 -8.529 8.873 1.00 1.69 O ATOM 1233 OE2 GLU A 80 -2.724 -7.552 7.384 1.00 2.07 O ATOM 0 H GLU A 80 -7.972 -5.047 8.259 1.00 0.39 H new ATOM 0 HA GLU A 80 -6.762 -5.764 5.698 1.00 0.42 H new ATOM 0 HB2 GLU A 80 -5.342 -5.603 7.753 1.00 0.57 H new ATOM 0 HB3 GLU A 80 -6.326 -6.826 8.531 1.00 0.57 H new ATOM 0 HG2 GLU A 80 -5.659 -8.487 6.840 1.00 0.97 H new ATOM 0 HG3 GLU A 80 -4.744 -7.270 5.972 1.00 0.97 H new ATOM 1240 N ARG A 81 -7.903 -7.872 5.217 1.00 0.38 N ATOM 1241 CA ARG A 81 -8.601 -9.074 4.798 1.00 0.39 C ATOM 1242 C ARG A 81 -7.579 -10.035 4.211 1.00 0.48 C ATOM 1243 O ARG A 81 -7.031 -9.791 3.145 1.00 0.75 O ATOM 1244 CB ARG A 81 -9.679 -8.719 3.761 1.00 0.56 C ATOM 1245 CG ARG A 81 -10.390 -9.911 3.123 1.00 0.76 C ATOM 1246 CD ARG A 81 -11.138 -10.756 4.143 1.00 1.34 C ATOM 1247 NE ARG A 81 -10.369 -11.930 4.552 1.00 2.05 N ATOM 1248 CZ ARG A 81 -10.520 -12.558 5.717 1.00 2.81 C ATOM 1249 NH1 ARG A 81 -11.432 -12.147 6.590 1.00 3.05 N ATOM 1250 NH2 ARG A 81 -9.768 -13.613 6.001 1.00 3.75 N ATOM 0 H ARG A 81 -7.332 -7.457 4.480 1.00 0.38 H new ATOM 0 HA ARG A 81 -9.098 -9.544 5.647 1.00 0.39 H new ATOM 0 HB2 ARG A 81 -10.426 -8.086 4.240 1.00 0.56 H new ATOM 0 HB3 ARG A 81 -9.218 -8.127 2.971 1.00 0.56 H new ATOM 0 HG2 ARG A 81 -11.091 -9.551 2.370 1.00 0.76 H new ATOM 0 HG3 ARG A 81 -9.659 -10.533 2.607 1.00 0.76 H new ATOM 0 HD2 ARG A 81 -11.366 -10.149 5.019 1.00 1.34 H new ATOM 0 HD3 ARG A 81 -12.090 -11.076 3.720 1.00 1.34 H new ATOM 0 HE ARG A 81 -9.671 -12.292 3.903 1.00 2.05 H new ATOM 0 HH11 ARG A 81 -12.023 -11.345 6.371 1.00 3.05 H new ATOM 0 HH12 ARG A 81 -11.542 -12.633 7.480 1.00 3.05 H new ATOM 0 HH21 ARG A 81 -9.076 -13.942 5.328 1.00 3.75 H new ATOM 0 HH22 ARG A 81 -9.882 -14.095 6.892 1.00 3.75 H new ATOM 1264 N LEU A 82 -7.303 -11.105 4.919 1.00 0.60 N ATOM 1265 CA LEU A 82 -6.250 -12.020 4.513 1.00 0.82 C ATOM 1266 C LEU A 82 -6.804 -13.149 3.652 1.00 0.66 C ATOM 1267 O LEU A 82 -7.799 -13.789 4.000 1.00 0.84 O ATOM 1268 CB LEU A 82 -5.498 -12.558 5.742 1.00 1.25 C ATOM 1269 CG LEU A 82 -6.361 -13.172 6.850 1.00 1.28 C ATOM 1270 CD1 LEU A 82 -6.487 -14.678 6.672 1.00 1.93 C ATOM 1271 CD2 LEU A 82 -5.781 -12.842 8.217 1.00 1.65 C ATOM 0 H LEU A 82 -7.788 -11.367 5.777 1.00 0.60 H new ATOM 0 HA LEU A 82 -5.535 -11.470 3.900 1.00 0.82 H new ATOM 0 HB2 LEU A 82 -4.786 -13.312 5.405 1.00 1.25 H new ATOM 0 HB3 LEU A 82 -4.918 -11.742 6.173 1.00 1.25 H new ATOM 0 HG LEU A 82 -7.360 -12.741 6.782 1.00 1.28 H new ATOM 0 HD11 LEU A 82 -7.104 -15.088 7.471 1.00 1.93 H new ATOM 0 HD12 LEU A 82 -6.950 -14.893 5.709 1.00 1.93 H new ATOM 0 HD13 LEU A 82 -5.497 -15.133 6.708 1.00 1.93 H new ATOM 0 HD21 LEU A 82 -6.405 -13.285 8.993 1.00 1.65 H new ATOM 0 HD22 LEU A 82 -4.770 -13.244 8.290 1.00 1.65 H new ATOM 0 HD23 LEU A 82 -5.752 -11.760 8.348 1.00 1.65 H new ATOM 1283 N GLU A 83 -6.183 -13.344 2.500 1.00 0.76 N ATOM 1284 CA GLU A 83 -6.547 -14.425 1.604 1.00 0.82 C ATOM 1285 C GLU A 83 -5.742 -15.670 1.968 1.00 1.29 C ATOM 1286 O GLU A 83 -4.675 -15.569 2.577 1.00 2.03 O ATOM 1287 CB GLU A 83 -6.296 -14.001 0.150 1.00 1.39 C ATOM 1288 CG GLU A 83 -6.750 -15.019 -0.883 1.00 1.89 C ATOM 1289 CD GLU A 83 -8.147 -15.535 -0.613 1.00 2.05 C ATOM 1290 OE1 GLU A 83 -9.106 -14.753 -0.771 1.00 2.48 O ATOM 1291 OE2 GLU A 83 -8.295 -16.716 -0.251 1.00 2.36 O ATOM 0 H GLU A 83 -5.417 -12.760 2.163 1.00 0.76 H new ATOM 0 HA GLU A 83 -7.607 -14.657 1.706 1.00 0.82 H new ATOM 0 HB2 GLU A 83 -6.810 -13.058 -0.036 1.00 1.39 H new ATOM 0 HB3 GLU A 83 -5.230 -13.815 0.016 1.00 1.39 H new ATOM 0 HG2 GLU A 83 -6.719 -14.565 -1.874 1.00 1.89 H new ATOM 0 HG3 GLU A 83 -6.053 -15.857 -0.894 1.00 1.89 H new ATOM 1298 N GLU A 84 -6.237 -16.837 1.579 1.00 1.26 N ATOM 1299 CA GLU A 84 -5.667 -18.088 2.042 1.00 1.78 C ATOM 1300 C GLU A 84 -4.608 -18.595 1.069 1.00 1.46 C ATOM 1301 O GLU A 84 -3.934 -19.591 1.329 1.00 1.49 O ATOM 1302 CB GLU A 84 -6.768 -19.132 2.225 1.00 2.65 C ATOM 1303 CG GLU A 84 -6.436 -20.177 3.276 1.00 3.44 C ATOM 1304 CD GLU A 84 -6.201 -19.559 4.640 1.00 3.85 C ATOM 1305 OE1 GLU A 84 -7.179 -19.379 5.394 1.00 3.98 O ATOM 1306 OE2 GLU A 84 -5.033 -19.261 4.966 1.00 4.35 O ATOM 0 H GLU A 84 -7.030 -16.940 0.946 1.00 1.26 H new ATOM 0 HA GLU A 84 -5.186 -17.912 3.004 1.00 1.78 H new ATOM 0 HB2 GLU A 84 -7.694 -18.629 2.503 1.00 2.65 H new ATOM 0 HB3 GLU A 84 -6.949 -19.630 1.272 1.00 2.65 H new ATOM 0 HG2 GLU A 84 -7.251 -20.897 3.341 1.00 3.44 H new ATOM 0 HG3 GLU A 84 -5.547 -20.728 2.970 1.00 3.44 H new ATOM 1313 N ASN A 85 -4.444 -17.887 -0.044 1.00 1.98 N ATOM 1314 CA ASN A 85 -3.341 -18.160 -0.963 1.00 2.36 C ATOM 1315 C ASN A 85 -2.150 -17.302 -0.571 1.00 1.83 C ATOM 1316 O ASN A 85 -1.288 -16.978 -1.384 1.00 2.36 O ATOM 1317 CB ASN A 85 -3.739 -17.880 -2.418 1.00 3.24 C ATOM 1318 CG ASN A 85 -4.953 -18.672 -2.859 1.00 4.01 C ATOM 1319 OD1 ASN A 85 -6.089 -18.214 -2.722 1.00 4.69 O ATOM 1320 ND2 ASN A 85 -4.728 -19.864 -3.389 1.00 4.33 N ATOM 0 H ASN A 85 -5.056 -17.124 -0.332 1.00 1.98 H new ATOM 0 HA ASN A 85 -3.081 -19.216 -0.893 1.00 2.36 H new ATOM 0 HB2 ASN A 85 -3.943 -16.816 -2.535 1.00 3.24 H new ATOM 0 HB3 ASN A 85 -2.899 -18.117 -3.071 1.00 3.24 H new ATOM 0 HD21 ASN A 85 -5.510 -20.439 -3.701 1.00 4.33 H new ATOM 0 HD22 ASN A 85 -3.772 -20.207 -3.485 1.00 4.33 H new ATOM 1327 N HIS A 86 -2.128 -16.979 0.712 1.00 1.13 N ATOM 1328 CA HIS A 86 -1.166 -16.057 1.313 1.00 1.29 C ATOM 1329 C HIS A 86 -1.078 -14.747 0.528 1.00 1.07 C ATOM 1330 O HIS A 86 -0.002 -14.330 0.096 1.00 1.43 O ATOM 1331 CB HIS A 86 0.219 -16.696 1.452 1.00 2.00 C ATOM 1332 CG HIS A 86 1.081 -15.987 2.454 1.00 2.54 C ATOM 1333 ND1 HIS A 86 2.145 -15.186 2.105 1.00 3.33 N ATOM 1334 CD2 HIS A 86 1.009 -15.945 3.805 1.00 3.02 C ATOM 1335 CE1 HIS A 86 2.687 -14.679 3.198 1.00 3.99 C ATOM 1336 NE2 HIS A 86 2.016 -15.124 4.243 1.00 3.81 N ATOM 0 H HIS A 86 -2.794 -17.358 1.385 1.00 1.13 H new ATOM 0 HA HIS A 86 -1.531 -15.827 2.314 1.00 1.29 H new ATOM 0 HB2 HIS A 86 0.106 -17.739 1.748 1.00 2.00 H new ATOM 0 HB3 HIS A 86 0.716 -16.692 0.482 1.00 2.00 H new ATOM 0 HD2 HIS A 86 0.291 -16.463 4.424 1.00 3.02 H new ATOM 0 HE1 HIS A 86 3.536 -14.013 3.230 1.00 3.99 H new ATOM 0 HE2 HIS A 86 2.214 -14.895 5.217 1.00 3.81 H new ATOM 1345 N TYR A 87 -2.222 -14.110 0.350 1.00 0.63 N ATOM 1346 CA TYR A 87 -2.291 -12.793 -0.266 1.00 0.49 C ATOM 1347 C TYR A 87 -2.958 -11.824 0.693 1.00 0.46 C ATOM 1348 O TYR A 87 -3.880 -12.202 1.419 1.00 0.61 O ATOM 1349 CB TYR A 87 -3.079 -12.833 -1.580 1.00 0.61 C ATOM 1350 CG TYR A 87 -2.263 -13.239 -2.788 1.00 1.00 C ATOM 1351 CD1 TYR A 87 -1.484 -12.315 -3.470 1.00 1.67 C ATOM 1352 CD2 TYR A 87 -2.265 -14.555 -3.235 1.00 1.38 C ATOM 1353 CE1 TYR A 87 -0.729 -12.691 -4.567 1.00 2.52 C ATOM 1354 CE2 TYR A 87 -1.515 -14.938 -4.331 1.00 2.16 C ATOM 1355 CZ TYR A 87 -0.779 -13.969 -5.024 1.00 2.70 C ATOM 1356 OH TYR A 87 0.006 -14.384 -6.080 1.00 3.60 O ATOM 0 H TYR A 87 -3.128 -14.488 0.627 1.00 0.63 H new ATOM 0 HA TYR A 87 -1.275 -12.465 -0.488 1.00 0.49 H new ATOM 0 HB2 TYR A 87 -3.911 -13.528 -1.469 1.00 0.61 H new ATOM 0 HB3 TYR A 87 -3.509 -11.848 -1.762 1.00 0.61 H new ATOM 0 HD1 TYR A 87 -1.467 -11.287 -3.140 1.00 1.67 H new ATOM 0 HD2 TYR A 87 -2.863 -15.291 -2.717 1.00 1.38 H new ATOM 0 HE1 TYR A 87 -0.098 -11.967 -5.061 1.00 2.52 H new ATOM 0 HE2 TYR A 87 -1.497 -15.970 -4.648 1.00 2.16 H new ATOM 0 HH TYR A 87 -0.166 -15.331 -6.263 1.00 3.60 H new ATOM 1366 N ASN A 88 -2.499 -10.586 0.711 1.00 0.38 N ATOM 1367 CA ASN A 88 -3.097 -9.590 1.570 1.00 0.38 C ATOM 1368 C ASN A 88 -4.126 -8.797 0.792 1.00 0.34 C ATOM 1369 O ASN A 88 -3.893 -8.416 -0.352 1.00 0.36 O ATOM 1370 CB ASN A 88 -2.029 -8.650 2.133 1.00 0.43 C ATOM 1371 CG ASN A 88 -1.111 -9.316 3.143 1.00 0.98 C ATOM 1372 OD1 ASN A 88 -0.820 -10.508 3.058 1.00 1.80 O ATOM 1373 ND2 ASN A 88 -0.650 -8.545 4.118 1.00 1.60 N ATOM 0 H ASN A 88 -1.720 -10.251 0.144 1.00 0.38 H new ATOM 0 HA ASN A 88 -3.584 -10.095 2.404 1.00 0.38 H new ATOM 0 HB2 ASN A 88 -1.430 -8.259 1.311 1.00 0.43 H new ATOM 0 HB3 ASN A 88 -2.518 -7.797 2.604 1.00 0.43 H new ATOM 0 HD21 ASN A 88 -0.033 -8.937 4.829 1.00 1.60 H new ATOM 0 HD22 ASN A 88 -0.913 -7.560 4.157 1.00 1.60 H new ATOM 1380 N THR A 89 -5.270 -8.577 1.400 1.00 0.36 N ATOM 1381 CA THR A 89 -6.291 -7.740 0.820 1.00 0.37 C ATOM 1382 C THR A 89 -6.638 -6.670 1.836 1.00 0.37 C ATOM 1383 O THR A 89 -6.379 -6.861 3.018 1.00 0.40 O ATOM 1384 CB THR A 89 -7.536 -8.568 0.456 1.00 0.44 C ATOM 1385 OG1 THR A 89 -7.124 -9.805 -0.137 1.00 0.50 O ATOM 1386 CG2 THR A 89 -8.415 -7.811 -0.526 1.00 0.49 C ATOM 0 H THR A 89 -5.516 -8.973 2.307 1.00 0.36 H new ATOM 0 HA THR A 89 -5.927 -7.285 -0.101 1.00 0.37 H new ATOM 0 HB THR A 89 -8.108 -8.758 1.364 1.00 0.44 H new ATOM 0 HG1 THR A 89 -7.914 -10.336 -0.369 1.00 0.50 H new ATOM 0 HG21 THR A 89 -9.290 -8.414 -0.771 1.00 0.49 H new ATOM 0 HG22 THR A 89 -8.736 -6.871 -0.077 1.00 0.49 H new ATOM 0 HG23 THR A 89 -7.851 -7.605 -1.435 1.00 0.49 H new ATOM 1394 N TYR A 90 -7.182 -5.547 1.406 1.00 0.40 N ATOM 1395 CA TYR A 90 -7.474 -4.465 2.333 1.00 0.42 C ATOM 1396 C TYR A 90 -8.710 -3.692 1.902 1.00 0.38 C ATOM 1397 O TYR A 90 -9.024 -3.613 0.713 1.00 0.42 O ATOM 1398 CB TYR A 90 -6.264 -3.525 2.455 1.00 0.49 C ATOM 1399 CG TYR A 90 -5.051 -4.184 3.069 1.00 0.54 C ATOM 1400 CD1 TYR A 90 -5.004 -4.444 4.428 1.00 0.57 C ATOM 1401 CD2 TYR A 90 -3.964 -4.566 2.291 1.00 0.76 C ATOM 1402 CE1 TYR A 90 -3.912 -5.065 4.998 1.00 0.67 C ATOM 1403 CE2 TYR A 90 -2.865 -5.187 2.857 1.00 0.85 C ATOM 1404 CZ TYR A 90 -2.845 -5.433 4.213 1.00 0.75 C ATOM 1405 OH TYR A 90 -1.761 -6.059 4.788 1.00 0.87 O ATOM 0 H TYR A 90 -7.429 -5.359 0.434 1.00 0.40 H new ATOM 0 HA TYR A 90 -7.677 -4.902 3.311 1.00 0.42 H new ATOM 0 HB2 TYR A 90 -6.003 -3.151 1.465 1.00 0.49 H new ATOM 0 HB3 TYR A 90 -6.544 -2.662 3.059 1.00 0.49 H new ATOM 0 HD1 TYR A 90 -5.837 -4.156 5.053 1.00 0.57 H new ATOM 0 HD2 TYR A 90 -3.978 -4.375 1.228 1.00 0.76 H new ATOM 0 HE1 TYR A 90 -3.895 -5.262 6.060 1.00 0.67 H new ATOM 0 HE2 TYR A 90 -2.028 -5.477 2.240 1.00 0.85 H new ATOM 0 HH TYR A 90 -2.046 -6.526 5.601 1.00 0.87 H new ATOM 1415 N ILE A 91 -9.408 -3.123 2.876 1.00 0.35 N ATOM 1416 CA ILE A 91 -10.593 -2.338 2.607 1.00 0.35 C ATOM 1417 C ILE A 91 -10.291 -0.894 2.942 1.00 0.36 C ATOM 1418 O ILE A 91 -9.614 -0.612 3.927 1.00 0.41 O ATOM 1419 CB ILE A 91 -11.825 -2.861 3.406 1.00 0.42 C ATOM 1420 CG1 ILE A 91 -12.955 -3.241 2.448 1.00 1.12 C ATOM 1421 CG2 ILE A 91 -12.330 -1.844 4.425 1.00 0.88 C ATOM 1422 CD1 ILE A 91 -12.600 -4.367 1.501 1.00 1.55 C ATOM 0 H ILE A 91 -9.167 -3.195 3.865 1.00 0.35 H new ATOM 0 HA ILE A 91 -10.855 -2.426 1.553 1.00 0.35 H new ATOM 0 HB ILE A 91 -11.498 -3.743 3.957 1.00 0.42 H new ATOM 0 HG12 ILE A 91 -13.830 -3.530 3.030 1.00 1.12 H new ATOM 0 HG13 ILE A 91 -13.235 -2.363 1.865 1.00 1.12 H new ATOM 0 HG21 ILE A 91 -13.189 -2.256 4.955 1.00 0.88 H new ATOM 0 HG22 ILE A 91 -11.537 -1.619 5.138 1.00 0.88 H new ATOM 0 HG23 ILE A 91 -12.626 -0.930 3.911 1.00 0.88 H new ATOM 0 HD11 ILE A 91 -13.451 -4.580 0.853 1.00 1.55 H new ATOM 0 HD12 ILE A 91 -11.745 -4.074 0.892 1.00 1.55 H new ATOM 0 HD13 ILE A 91 -12.349 -5.259 2.075 1.00 1.55 H new ATOM 1434 N SER A 92 -10.816 0.013 2.157 1.00 0.36 N ATOM 1435 CA SER A 92 -10.464 1.402 2.278 1.00 0.40 C ATOM 1436 C SER A 92 -11.336 2.057 3.317 1.00 0.43 C ATOM 1437 O SER A 92 -12.460 2.491 3.059 1.00 0.53 O ATOM 1438 CB SER A 92 -10.609 2.080 0.924 1.00 0.47 C ATOM 1439 OG SER A 92 -11.795 1.661 0.273 1.00 1.33 O ATOM 0 H SER A 92 -11.494 -0.190 1.422 1.00 0.36 H new ATOM 0 HA SER A 92 -9.427 1.498 2.599 1.00 0.40 H new ATOM 0 HB2 SER A 92 -10.624 3.162 1.054 1.00 0.47 H new ATOM 0 HB3 SER A 92 -9.746 1.846 0.301 1.00 0.47 H new ATOM 0 HG SER A 92 -12.141 2.393 -0.279 1.00 1.33 H new ATOM 1445 N LYS A 93 -10.773 2.113 4.512 1.00 0.44 N ATOM 1446 CA LYS A 93 -11.457 2.634 5.668 1.00 0.54 C ATOM 1447 C LYS A 93 -11.540 4.151 5.622 1.00 0.57 C ATOM 1448 O LYS A 93 -12.121 4.773 6.509 1.00 0.72 O ATOM 1449 CB LYS A 93 -10.763 2.132 6.934 1.00 0.65 C ATOM 1450 CG LYS A 93 -11.177 0.725 7.310 1.00 0.84 C ATOM 1451 CD LYS A 93 -10.609 0.285 8.656 1.00 1.27 C ATOM 1452 CE LYS A 93 -11.514 0.676 9.818 1.00 1.20 C ATOM 1453 NZ LYS A 93 -11.233 2.040 10.339 1.00 1.58 N ATOM 0 H LYS A 93 -9.823 1.795 4.701 1.00 0.44 H new ATOM 0 HA LYS A 93 -12.485 2.272 5.673 1.00 0.54 H new ATOM 0 HB2 LYS A 93 -9.683 2.161 6.787 1.00 0.65 H new ATOM 0 HB3 LYS A 93 -10.991 2.806 7.760 1.00 0.65 H new ATOM 0 HG2 LYS A 93 -12.265 0.667 7.343 1.00 0.84 H new ATOM 0 HG3 LYS A 93 -10.844 0.033 6.536 1.00 0.84 H new ATOM 0 HD2 LYS A 93 -10.470 -0.796 8.654 1.00 1.27 H new ATOM 0 HD3 LYS A 93 -9.625 0.733 8.797 1.00 1.27 H new ATOM 0 HE2 LYS A 93 -12.554 0.623 9.495 1.00 1.20 H new ATOM 0 HE3 LYS A 93 -11.393 -0.047 10.625 1.00 1.20 H new ATOM 0 HZ1 LYS A 93 -10.801 1.969 11.282 1.00 1.58 H new ATOM 0 HZ2 LYS A 93 -10.580 2.530 9.695 1.00 1.58 H new ATOM 0 HZ3 LYS A 93 -12.122 2.576 10.405 1.00 1.58 H new ATOM 1467 N LYS A 94 -10.992 4.735 4.560 1.00 0.52 N ATOM 1468 CA LYS A 94 -11.183 6.147 4.288 1.00 0.67 C ATOM 1469 C LYS A 94 -12.673 6.382 4.184 1.00 0.79 C ATOM 1470 O LYS A 94 -13.306 6.909 5.098 1.00 0.97 O ATOM 1471 CB LYS A 94 -10.474 6.567 2.981 1.00 0.69 C ATOM 1472 CG LYS A 94 -10.538 8.058 2.653 1.00 1.21 C ATOM 1473 CD LYS A 94 -9.729 8.902 3.631 1.00 1.56 C ATOM 1474 CE LYS A 94 -10.576 9.388 4.797 1.00 2.00 C ATOM 1475 NZ LYS A 94 -11.632 10.343 4.362 1.00 2.32 N ATOM 0 H LYS A 94 -10.413 4.248 3.876 1.00 0.52 H new ATOM 0 HA LYS A 94 -10.749 6.747 5.087 1.00 0.67 H new ATOM 0 HB2 LYS A 94 -9.427 6.270 3.044 1.00 0.69 H new ATOM 0 HB3 LYS A 94 -10.914 6.011 2.153 1.00 0.69 H new ATOM 0 HG2 LYS A 94 -10.166 8.221 1.642 1.00 1.21 H new ATOM 0 HG3 LYS A 94 -11.577 8.386 2.667 1.00 1.21 H new ATOM 0 HD2 LYS A 94 -8.892 8.316 4.010 1.00 1.56 H new ATOM 0 HD3 LYS A 94 -9.306 9.759 3.107 1.00 1.56 H new ATOM 0 HE2 LYS A 94 -11.041 8.533 5.288 1.00 2.00 H new ATOM 0 HE3 LYS A 94 -9.934 9.869 5.535 1.00 2.00 H new ATOM 0 HZ1 LYS A 94 -11.919 10.934 5.168 1.00 2.32 H new ATOM 0 HZ2 LYS A 94 -11.261 10.949 3.603 1.00 2.32 H new ATOM 0 HZ3 LYS A 94 -12.455 9.814 4.011 1.00 2.32 H new ATOM 1489 N HIS A 95 -13.249 5.947 3.086 1.00 0.76 N ATOM 1490 CA HIS A 95 -14.689 6.021 2.954 1.00 0.96 C ATOM 1491 C HIS A 95 -15.340 4.682 3.342 1.00 1.01 C ATOM 1492 O HIS A 95 -16.359 4.288 2.769 1.00 1.23 O ATOM 1493 CB HIS A 95 -15.089 6.497 1.548 1.00 1.06 C ATOM 1494 CG HIS A 95 -15.211 5.413 0.528 1.00 0.99 C ATOM 1495 ND1 HIS A 95 -14.490 4.243 0.575 1.00 1.55 N ATOM 1496 CD2 HIS A 95 -16.044 5.294 -0.523 1.00 1.69 C ATOM 1497 CE1 HIS A 95 -14.881 3.458 -0.392 1.00 2.27 C ATOM 1498 NE2 HIS A 95 -15.826 4.068 -1.081 1.00 2.32 N ATOM 0 H HIS A 95 -12.757 5.547 2.287 1.00 0.76 H new ATOM 0 HA HIS A 95 -15.069 6.768 3.651 1.00 0.96 H new ATOM 0 HB2 HIS A 95 -16.042 7.021 1.615 1.00 1.06 H new ATOM 0 HB3 HIS A 95 -14.351 7.220 1.202 1.00 1.06 H new ATOM 0 HD2 HIS A 95 -16.754 6.033 -0.862 1.00 1.69 H new ATOM 0 HE1 HIS A 95 -14.494 2.470 -0.595 1.00 2.27 H new ATOM 0 HE2 HIS A 95 -16.312 3.688 -1.893 1.00 2.32 H new ATOM 1507 N ALA A 96 -14.744 4.024 4.343 1.00 0.94 N ATOM 1508 CA ALA A 96 -15.048 2.631 4.737 1.00 1.02 C ATOM 1509 C ALA A 96 -16.503 2.238 4.537 1.00 1.03 C ATOM 1510 O ALA A 96 -16.800 1.172 3.990 1.00 1.05 O ATOM 1511 CB ALA A 96 -14.674 2.416 6.195 1.00 1.18 C ATOM 0 H ALA A 96 -14.018 4.450 4.920 1.00 0.94 H new ATOM 0 HA ALA A 96 -14.455 1.996 4.079 1.00 1.02 H new ATOM 0 HB1 ALA A 96 -14.900 1.389 6.481 1.00 1.18 H new ATOM 0 HB2 ALA A 96 -13.609 2.604 6.329 1.00 1.18 H new ATOM 0 HB3 ALA A 96 -15.245 3.101 6.822 1.00 1.18 H new ATOM 1517 N GLU A 97 -17.389 3.120 4.962 1.00 1.07 N ATOM 1518 CA GLU A 97 -18.831 2.876 4.942 1.00 1.16 C ATOM 1519 C GLU A 97 -19.321 2.390 3.578 1.00 1.07 C ATOM 1520 O GLU A 97 -20.260 1.605 3.491 1.00 1.18 O ATOM 1521 CB GLU A 97 -19.557 4.167 5.282 1.00 1.30 C ATOM 1522 CG GLU A 97 -18.938 4.919 6.441 1.00 2.04 C ATOM 1523 CD GLU A 97 -19.377 6.360 6.468 1.00 2.81 C ATOM 1524 OE1 GLU A 97 -18.890 7.137 5.621 1.00 3.42 O ATOM 1525 OE2 GLU A 97 -20.220 6.717 7.316 1.00 3.22 O ATOM 0 H GLU A 97 -17.133 4.034 5.335 1.00 1.07 H new ATOM 0 HA GLU A 97 -19.041 2.096 5.674 1.00 1.16 H new ATOM 0 HB2 GLU A 97 -19.566 4.812 4.403 1.00 1.30 H new ATOM 0 HB3 GLU A 97 -20.596 3.939 5.520 1.00 1.30 H new ATOM 0 HG2 GLU A 97 -19.216 4.436 7.378 1.00 2.04 H new ATOM 0 HG3 GLU A 97 -17.852 4.871 6.367 1.00 2.04 H new ATOM 1532 N LYS A 98 -18.676 2.852 2.513 1.00 0.92 N ATOM 1533 CA LYS A 98 -19.203 2.613 1.169 1.00 0.88 C ATOM 1534 C LYS A 98 -18.675 1.326 0.533 1.00 0.83 C ATOM 1535 O LYS A 98 -19.025 1.013 -0.607 1.00 0.83 O ATOM 1536 CB LYS A 98 -18.914 3.805 0.266 1.00 0.84 C ATOM 1537 CG LYS A 98 -20.025 4.849 0.250 1.00 1.41 C ATOM 1538 CD LYS A 98 -20.204 5.547 1.592 1.00 1.98 C ATOM 1539 CE LYS A 98 -19.108 6.568 1.849 1.00 2.14 C ATOM 1540 NZ LYS A 98 -19.423 7.440 3.013 1.00 2.65 N ATOM 0 H LYS A 98 -17.806 3.383 2.547 1.00 0.92 H new ATOM 0 HA LYS A 98 -20.280 2.487 1.278 1.00 0.88 H new ATOM 0 HB2 LYS A 98 -17.988 4.279 0.591 1.00 0.84 H new ATOM 0 HB3 LYS A 98 -18.750 3.447 -0.750 1.00 0.84 H new ATOM 0 HG2 LYS A 98 -19.805 5.594 -0.515 1.00 1.41 H new ATOM 0 HG3 LYS A 98 -20.962 4.370 -0.032 1.00 1.41 H new ATOM 0 HD2 LYS A 98 -21.175 6.042 1.617 1.00 1.98 H new ATOM 0 HD3 LYS A 98 -20.204 4.805 2.390 1.00 1.98 H new ATOM 0 HE2 LYS A 98 -18.165 6.051 2.027 1.00 2.14 H new ATOM 0 HE3 LYS A 98 -18.971 7.184 0.961 1.00 2.14 H new ATOM 0 HZ1 LYS A 98 -18.856 8.310 2.958 1.00 2.65 H new ATOM 0 HZ2 LYS A 98 -20.434 7.684 3.000 1.00 2.65 H new ATOM 0 HZ3 LYS A 98 -19.199 6.936 3.895 1.00 2.65 H new ATOM 1554 N ASN A 99 -17.799 0.619 1.241 1.00 0.82 N ATOM 1555 CA ASN A 99 -17.517 -0.801 0.959 1.00 0.84 C ATOM 1556 C ASN A 99 -16.566 -1.006 -0.234 1.00 0.68 C ATOM 1557 O ASN A 99 -16.544 -2.078 -0.835 1.00 0.74 O ATOM 1558 CB ASN A 99 -18.826 -1.583 0.749 1.00 1.01 C ATOM 1559 CG ASN A 99 -18.682 -3.082 0.986 1.00 1.34 C ATOM 1560 OD1 ASN A 99 -18.826 -3.557 2.113 1.00 1.96 O ATOM 1561 ND2 ASN A 99 -18.425 -3.840 -0.068 1.00 2.00 N ATOM 0 H ASN A 99 -17.265 1.002 2.021 1.00 0.82 H new ATOM 0 HA ASN A 99 -17.001 -1.192 1.836 1.00 0.84 H new ATOM 0 HB2 ASN A 99 -19.588 -1.188 1.421 1.00 1.01 H new ATOM 0 HB3 ASN A 99 -19.181 -1.416 -0.268 1.00 1.01 H new ATOM 0 HD21 ASN A 99 -18.340 -4.851 0.039 1.00 2.00 H new ATOM 0 HD22 ASN A 99 -18.312 -3.413 -0.988 1.00 2.00 H new ATOM 1568 N TRP A 100 -15.802 0.008 -0.613 1.00 0.54 N ATOM 1569 CA TRP A 100 -14.791 -0.194 -1.655 1.00 0.44 C ATOM 1570 C TRP A 100 -13.584 -0.910 -1.080 1.00 0.41 C ATOM 1571 O TRP A 100 -13.441 -1.065 0.135 1.00 0.45 O ATOM 1572 CB TRP A 100 -14.288 1.105 -2.285 1.00 0.51 C ATOM 1573 CG TRP A 100 -15.219 1.805 -3.234 1.00 0.52 C ATOM 1574 CD1 TRP A 100 -16.440 1.404 -3.690 1.00 1.03 C ATOM 1575 CD2 TRP A 100 -14.957 3.069 -3.841 1.00 0.54 C ATOM 1576 NE1 TRP A 100 -16.955 2.362 -4.544 1.00 1.33 N ATOM 1577 CE2 TRP A 100 -16.054 3.397 -4.647 1.00 1.01 C ATOM 1578 CE3 TRP A 100 -13.888 3.956 -3.765 1.00 0.62 C ATOM 1579 CZ2 TRP A 100 -16.105 4.593 -5.376 1.00 1.22 C ATOM 1580 CZ3 TRP A 100 -13.938 5.131 -4.480 1.00 0.82 C ATOM 1581 CH2 TRP A 100 -15.032 5.446 -5.273 1.00 1.01 C ATOM 0 H TRP A 100 -15.854 0.953 -0.232 1.00 0.54 H new ATOM 0 HA TRP A 100 -15.287 -0.781 -2.428 1.00 0.44 H new ATOM 0 HB2 TRP A 100 -14.039 1.798 -1.481 1.00 0.51 H new ATOM 0 HB3 TRP A 100 -13.362 0.888 -2.817 1.00 0.51 H new ATOM 0 HD1 TRP A 100 -16.930 0.479 -3.425 1.00 1.03 H new ATOM 0 HE1 TRP A 100 -17.856 2.310 -5.020 1.00 1.33 H new ATOM 0 HE3 TRP A 100 -13.029 3.725 -3.152 1.00 0.62 H new ATOM 0 HZ2 TRP A 100 -16.956 4.835 -5.996 1.00 1.22 H new ATOM 0 HZ3 TRP A 100 -13.109 5.821 -4.423 1.00 0.82 H new ATOM 0 HH2 TRP A 100 -15.041 6.378 -5.819 1.00 1.01 H new ATOM 1592 N PHE A 101 -12.720 -1.332 -1.972 1.00 0.50 N ATOM 1593 CA PHE A 101 -11.454 -1.927 -1.610 1.00 0.51 C ATOM 1594 C PHE A 101 -10.392 -0.850 -1.747 1.00 0.55 C ATOM 1595 O PHE A 101 -10.557 0.071 -2.537 1.00 0.67 O ATOM 1596 CB PHE A 101 -11.111 -3.103 -2.535 1.00 0.60 C ATOM 1597 CG PHE A 101 -12.189 -4.148 -2.668 1.00 0.61 C ATOM 1598 CD1 PHE A 101 -13.317 -3.908 -3.437 1.00 0.62 C ATOM 1599 CD2 PHE A 101 -12.084 -5.361 -2.006 1.00 0.72 C ATOM 1600 CE1 PHE A 101 -14.319 -4.857 -3.539 1.00 0.71 C ATOM 1601 CE2 PHE A 101 -13.077 -6.314 -2.108 1.00 0.79 C ATOM 1602 CZ PHE A 101 -14.161 -6.089 -2.958 1.00 0.77 C ATOM 0 H PHE A 101 -12.876 -1.272 -2.978 1.00 0.50 H new ATOM 0 HA PHE A 101 -11.504 -2.310 -0.591 1.00 0.51 H new ATOM 0 HB2 PHE A 101 -10.883 -2.711 -3.526 1.00 0.60 H new ATOM 0 HB3 PHE A 101 -10.205 -3.583 -2.166 1.00 0.60 H new ATOM 0 HD1 PHE A 101 -13.415 -2.970 -3.963 1.00 0.62 H new ATOM 0 HD2 PHE A 101 -11.212 -5.563 -1.401 1.00 0.72 H new ATOM 0 HE1 PHE A 101 -15.227 -4.627 -4.077 1.00 0.71 H new ATOM 0 HE2 PHE A 101 -13.016 -7.227 -1.534 1.00 0.79 H new ATOM 0 HZ PHE A 101 -14.870 -6.879 -3.157 1.00 0.77 H new ATOM 1612 N VAL A 102 -9.352 -0.894 -0.949 1.00 0.52 N ATOM 1613 CA VAL A 102 -8.240 0.006 -1.184 1.00 0.55 C ATOM 1614 C VAL A 102 -7.241 -0.667 -2.113 1.00 0.50 C ATOM 1615 O VAL A 102 -6.700 -1.725 -1.796 1.00 0.60 O ATOM 1616 CB VAL A 102 -7.547 0.445 0.120 1.00 0.74 C ATOM 1617 CG1 VAL A 102 -7.174 -0.749 0.974 1.00 1.50 C ATOM 1618 CG2 VAL A 102 -6.319 1.277 -0.195 1.00 1.27 C ATOM 0 H VAL A 102 -9.249 -1.523 -0.152 1.00 0.52 H new ATOM 0 HA VAL A 102 -8.635 0.911 -1.646 1.00 0.55 H new ATOM 0 HB VAL A 102 -8.250 1.053 0.689 1.00 0.74 H new ATOM 0 HG11 VAL A 102 -6.687 -0.406 1.887 1.00 1.50 H new ATOM 0 HG12 VAL A 102 -8.074 -1.308 1.231 1.00 1.50 H new ATOM 0 HG13 VAL A 102 -6.492 -1.394 0.420 1.00 1.50 H new ATOM 0 HG21 VAL A 102 -5.838 1.581 0.734 1.00 1.27 H new ATOM 0 HG22 VAL A 102 -5.621 0.686 -0.788 1.00 1.27 H new ATOM 0 HG23 VAL A 102 -6.614 2.163 -0.758 1.00 1.27 H new ATOM 1628 N GLY A 103 -7.035 -0.086 -3.284 1.00 0.54 N ATOM 1629 CA GLY A 103 -6.144 -0.703 -4.238 1.00 0.61 C ATOM 1630 C GLY A 103 -5.190 0.255 -4.900 1.00 0.54 C ATOM 1631 O GLY A 103 -5.470 1.447 -5.111 1.00 0.66 O ATOM 0 H GLY A 103 -7.463 0.789 -3.587 1.00 0.54 H new ATOM 0 HA2 GLY A 103 -5.570 -1.479 -3.732 1.00 0.61 H new ATOM 0 HA3 GLY A 103 -6.738 -1.196 -5.007 1.00 0.61 H new ATOM 1635 N LEU A 104 -4.074 -0.280 -5.283 1.00 0.53 N ATOM 1636 CA LEU A 104 -3.084 0.499 -5.979 1.00 0.50 C ATOM 1637 C LEU A 104 -2.579 -0.225 -7.189 1.00 0.59 C ATOM 1638 O LEU A 104 -2.530 -1.448 -7.204 1.00 0.92 O ATOM 1639 CB LEU A 104 -1.924 0.847 -5.063 1.00 0.77 C ATOM 1640 CG LEU A 104 -1.614 -0.118 -3.934 1.00 1.07 C ATOM 1641 CD1 LEU A 104 -0.952 -1.379 -4.457 1.00 1.62 C ATOM 1642 CD2 LEU A 104 -0.728 0.584 -2.928 1.00 1.27 C ATOM 0 H LEU A 104 -3.820 -1.255 -5.128 1.00 0.53 H new ATOM 0 HA LEU A 104 -3.564 1.423 -6.303 1.00 0.50 H new ATOM 0 HB2 LEU A 104 -1.028 0.947 -5.676 1.00 0.77 H new ATOM 0 HB3 LEU A 104 -2.122 1.826 -4.625 1.00 0.77 H new ATOM 0 HG LEU A 104 -2.543 -0.423 -3.452 1.00 1.07 H new ATOM 0 HD11 LEU A 104 -0.742 -2.051 -3.625 1.00 1.62 H new ATOM 0 HD12 LEU A 104 -1.618 -1.873 -5.164 1.00 1.62 H new ATOM 0 HD13 LEU A 104 -0.020 -1.119 -4.958 1.00 1.62 H new ATOM 0 HD21 LEU A 104 -0.496 -0.097 -2.109 1.00 1.27 H new ATOM 0 HD22 LEU A 104 0.197 0.896 -3.413 1.00 1.27 H new ATOM 0 HD23 LEU A 104 -1.246 1.459 -2.536 1.00 1.27 H new ATOM 1654 N LYS A 105 -2.192 0.501 -8.216 1.00 0.49 N ATOM 1655 CA LYS A 105 -1.409 -0.153 -9.228 1.00 0.54 C ATOM 1656 C LYS A 105 0.029 0.172 -8.964 1.00 0.49 C ATOM 1657 O LYS A 105 0.550 1.162 -9.419 1.00 0.55 O ATOM 1658 CB LYS A 105 -1.832 0.298 -10.630 1.00 0.70 C ATOM 1659 CG LYS A 105 -1.292 -0.572 -11.757 1.00 0.94 C ATOM 1660 CD LYS A 105 -1.919 -1.957 -11.744 1.00 1.55 C ATOM 1661 CE LYS A 105 -1.486 -2.774 -12.952 1.00 1.97 C ATOM 1662 NZ LYS A 105 -2.132 -4.113 -12.978 1.00 2.09 N ATOM 0 H LYS A 105 -2.395 1.489 -8.365 1.00 0.49 H new ATOM 0 HA LYS A 105 -1.564 -1.231 -9.190 1.00 0.54 H new ATOM 0 HB2 LYS A 105 -2.921 0.307 -10.683 1.00 0.70 H new ATOM 0 HB3 LYS A 105 -1.497 1.323 -10.786 1.00 0.70 H new ATOM 0 HG2 LYS A 105 -1.490 -0.091 -12.715 1.00 0.94 H new ATOM 0 HG3 LYS A 105 -0.210 -0.661 -11.662 1.00 0.94 H new ATOM 0 HD2 LYS A 105 -1.635 -2.478 -10.830 1.00 1.55 H new ATOM 0 HD3 LYS A 105 -3.005 -1.866 -11.735 1.00 1.55 H new ATOM 0 HE2 LYS A 105 -1.736 -2.233 -13.864 1.00 1.97 H new ATOM 0 HE3 LYS A 105 -0.403 -2.894 -12.939 1.00 1.97 H new ATOM 0 HZ1 LYS A 105 -1.723 -4.681 -13.747 1.00 2.09 H new ATOM 0 HZ2 LYS A 105 -1.972 -4.594 -12.070 1.00 2.09 H new ATOM 0 HZ3 LYS A 105 -3.154 -4.002 -13.135 1.00 2.09 H new ATOM 1676 N LYS A 106 0.699 -0.735 -8.305 1.00 0.46 N ATOM 1677 CA LYS A 106 2.098 -0.532 -8.018 1.00 0.44 C ATOM 1678 C LYS A 106 2.901 -0.703 -9.282 1.00 0.44 C ATOM 1679 O LYS A 106 4.030 -0.273 -9.363 1.00 0.46 O ATOM 1680 CB LYS A 106 2.612 -1.465 -6.904 1.00 0.51 C ATOM 1681 CG LYS A 106 3.501 -2.618 -7.377 1.00 0.81 C ATOM 1682 CD LYS A 106 2.750 -3.664 -8.194 1.00 1.11 C ATOM 1683 CE LYS A 106 3.721 -4.656 -8.820 1.00 1.02 C ATOM 1684 NZ LYS A 106 3.042 -5.700 -9.637 1.00 1.57 N ATOM 0 H LYS A 106 0.308 -1.611 -7.960 1.00 0.46 H new ATOM 0 HA LYS A 106 2.221 0.485 -7.645 1.00 0.44 H new ATOM 0 HB2 LYS A 106 3.171 -0.869 -6.182 1.00 0.51 H new ATOM 0 HB3 LYS A 106 1.754 -1.882 -6.377 1.00 0.51 H new ATOM 0 HG2 LYS A 106 4.317 -2.216 -7.977 1.00 0.81 H new ATOM 0 HG3 LYS A 106 3.951 -3.100 -6.509 1.00 0.81 H new ATOM 0 HD2 LYS A 106 2.043 -4.193 -7.555 1.00 1.11 H new ATOM 0 HD3 LYS A 106 2.169 -3.174 -8.975 1.00 1.11 H new ATOM 0 HE2 LYS A 106 4.429 -4.115 -9.448 1.00 1.02 H new ATOM 0 HE3 LYS A 106 4.298 -5.138 -8.031 1.00 1.02 H new ATOM 0 HZ1 LYS A 106 3.704 -6.480 -9.824 1.00 1.57 H new ATOM 0 HZ2 LYS A 106 2.217 -6.064 -9.119 1.00 1.57 H new ATOM 0 HZ3 LYS A 106 2.730 -5.287 -10.539 1.00 1.57 H new ATOM 1698 N ASN A 107 2.349 -1.379 -10.272 1.00 0.50 N ATOM 1699 CA ASN A 107 3.102 -1.527 -11.493 1.00 0.56 C ATOM 1700 C ASN A 107 3.039 -0.226 -12.275 1.00 0.60 C ATOM 1701 O ASN A 107 3.736 -0.042 -13.271 1.00 0.70 O ATOM 1702 CB ASN A 107 2.576 -2.694 -12.328 1.00 0.67 C ATOM 1703 CG ASN A 107 3.700 -3.596 -12.800 1.00 1.47 C ATOM 1704 OD1 ASN A 107 4.099 -4.526 -12.093 1.00 2.40 O ATOM 1705 ND2 ASN A 107 4.216 -3.331 -13.987 1.00 1.84 N ATOM 0 H ASN A 107 1.427 -1.814 -10.257 1.00 0.50 H new ATOM 0 HA ASN A 107 4.140 -1.750 -11.248 1.00 0.56 H new ATOM 0 HB2 ASN A 107 1.867 -3.274 -11.737 1.00 0.67 H new ATOM 0 HB3 ASN A 107 2.032 -2.309 -13.190 1.00 0.67 H new ATOM 0 HD21 ASN A 107 4.975 -3.906 -14.353 1.00 1.84 H new ATOM 0 HD22 ASN A 107 3.855 -2.552 -14.538 1.00 1.84 H new ATOM 1712 N GLY A 108 2.170 0.663 -11.810 1.00 0.56 N ATOM 1713 CA GLY A 108 2.107 2.011 -12.324 1.00 0.65 C ATOM 1714 C GLY A 108 2.261 3.024 -11.219 1.00 0.60 C ATOM 1715 O GLY A 108 3.351 3.421 -10.823 1.00 0.71 O ATOM 0 H GLY A 108 1.496 0.464 -11.071 1.00 0.56 H new ATOM 0 HA2 GLY A 108 2.892 2.157 -13.066 1.00 0.65 H new ATOM 0 HA3 GLY A 108 1.155 2.165 -12.832 1.00 0.65 H new ATOM 1719 N SER A 109 1.097 3.307 -10.663 1.00 0.53 N ATOM 1720 CA SER A 109 0.863 4.307 -9.635 1.00 0.64 C ATOM 1721 C SER A 109 -0.411 3.889 -8.897 1.00 0.54 C ATOM 1722 O SER A 109 -1.226 3.155 -9.458 1.00 0.54 O ATOM 1723 CB SER A 109 0.711 5.696 -10.269 1.00 0.93 C ATOM 1724 OG SER A 109 -0.151 5.654 -11.398 1.00 1.50 O ATOM 0 H SER A 109 0.242 2.819 -10.931 1.00 0.53 H new ATOM 0 HA SER A 109 1.701 4.368 -8.941 1.00 0.64 H new ATOM 0 HB2 SER A 109 0.315 6.394 -9.531 1.00 0.93 H new ATOM 0 HB3 SER A 109 1.690 6.071 -10.569 1.00 0.93 H new ATOM 0 HG SER A 109 -0.232 6.552 -11.782 1.00 1.50 H new ATOM 1730 N CYS A 110 -0.608 4.317 -7.662 1.00 0.76 N ATOM 1731 CA CYS A 110 -1.680 3.739 -6.860 1.00 0.82 C ATOM 1732 C CYS A 110 -2.980 4.543 -6.961 1.00 0.66 C ATOM 1733 O CYS A 110 -3.100 5.600 -6.395 1.00 1.17 O ATOM 1734 CB CYS A 110 -1.151 3.743 -5.424 1.00 1.35 C ATOM 1735 SG CYS A 110 -2.393 3.768 -4.126 1.00 2.32 S ATOM 0 H CYS A 110 -0.059 5.042 -7.200 1.00 0.76 H new ATOM 0 HA CYS A 110 -1.932 2.738 -7.209 1.00 0.82 H new ATOM 0 HB2 CYS A 110 -0.527 2.860 -5.285 1.00 1.35 H new ATOM 0 HB3 CYS A 110 -0.505 4.612 -5.298 1.00 1.35 H new ATOM 0 HG CYS A 110 -2.569 4.989 -3.717 1.00 2.32 H new ATOM 1741 N LYS A 111 -3.932 4.050 -7.750 1.00 0.72 N ATOM 1742 CA LYS A 111 -5.256 4.619 -7.830 1.00 1.00 C ATOM 1743 C LYS A 111 -6.281 3.508 -7.966 1.00 0.75 C ATOM 1744 O LYS A 111 -6.425 3.003 -9.068 1.00 1.56 O ATOM 1745 CB LYS A 111 -5.348 5.572 -9.024 1.00 2.13 C ATOM 1746 CG LYS A 111 -4.986 4.962 -10.390 1.00 2.53 C ATOM 1747 CD LYS A 111 -3.506 4.602 -10.538 1.00 2.18 C ATOM 1748 CE LYS A 111 -3.173 4.212 -11.970 1.00 3.01 C ATOM 1749 NZ LYS A 111 -3.499 5.295 -12.933 1.00 3.59 N ATOM 0 H LYS A 111 -3.795 3.238 -8.352 1.00 0.72 H new ATOM 0 HA LYS A 111 -5.459 5.182 -6.919 1.00 1.00 H new ATOM 0 HB2 LYS A 111 -6.365 5.961 -9.078 1.00 2.13 H new ATOM 0 HB3 LYS A 111 -4.690 6.422 -8.840 1.00 2.13 H new ATOM 0 HG2 LYS A 111 -5.585 4.065 -10.546 1.00 2.53 H new ATOM 0 HG3 LYS A 111 -5.258 5.667 -11.175 1.00 2.53 H new ATOM 0 HD2 LYS A 111 -2.891 5.450 -10.238 1.00 2.18 H new ATOM 0 HD3 LYS A 111 -3.261 3.778 -9.868 1.00 2.18 H new ATOM 0 HE2 LYS A 111 -2.113 3.970 -12.042 1.00 3.01 H new ATOM 0 HE3 LYS A 111 -3.725 3.311 -12.238 1.00 3.01 H new ATOM 0 HZ1 LYS A 111 -2.942 5.166 -13.802 1.00 3.59 H new ATOM 0 HZ2 LYS A 111 -4.513 5.261 -13.163 1.00 3.59 H new ATOM 0 HZ3 LYS A 111 -3.271 6.217 -12.509 1.00 3.59 H new ATOM 1763 N ARG A 112 -7.037 3.122 -6.983 1.00 0.95 N ATOM 1764 CA ARG A 112 -8.146 2.233 -7.300 1.00 1.36 C ATOM 1765 C ARG A 112 -9.402 2.555 -6.499 1.00 1.14 C ATOM 1766 O ARG A 112 -9.586 2.039 -5.408 1.00 1.79 O ATOM 1767 CB ARG A 112 -7.745 0.766 -7.100 1.00 2.63 C ATOM 1768 CG ARG A 112 -6.396 0.389 -7.708 1.00 3.07 C ATOM 1769 CD ARG A 112 -6.512 -0.243 -9.096 1.00 4.09 C ATOM 1770 NE ARG A 112 -6.524 0.749 -10.167 1.00 4.81 N ATOM 1771 CZ ARG A 112 -6.079 0.533 -11.406 1.00 5.78 C ATOM 1772 NH1 ARG A 112 -5.608 -0.657 -11.751 1.00 6.20 N ATOM 1773 NH2 ARG A 112 -6.100 1.517 -12.300 1.00 6.59 N ATOM 0 H ARG A 112 -6.929 3.383 -6.003 1.00 0.95 H new ATOM 0 HA ARG A 112 -8.385 2.395 -8.351 1.00 1.36 H new ATOM 0 HB2 ARG A 112 -7.720 0.552 -6.032 1.00 2.63 H new ATOM 0 HB3 ARG A 112 -8.516 0.129 -7.535 1.00 2.63 H new ATOM 0 HG2 ARG A 112 -5.773 1.281 -7.774 1.00 3.07 H new ATOM 0 HG3 ARG A 112 -5.887 -0.307 -7.041 1.00 3.07 H new ATOM 0 HD2 ARG A 112 -5.678 -0.928 -9.250 1.00 4.09 H new ATOM 0 HD3 ARG A 112 -7.425 -0.836 -9.146 1.00 4.09 H new ATOM 0 HE ARG A 112 -6.899 1.673 -9.953 1.00 4.81 H new ATOM 0 HH11 ARG A 112 -5.584 -1.414 -11.068 1.00 6.20 H new ATOM 0 HH12 ARG A 112 -5.269 -0.816 -12.700 1.00 6.20 H new ATOM 0 HH21 ARG A 112 -6.456 2.436 -12.038 1.00 6.59 H new ATOM 0 HH22 ARG A 112 -5.760 1.353 -13.247 1.00 6.59 H new ATOM 1787 N GLY A 113 -10.274 3.380 -7.043 1.00 0.81 N ATOM 1788 CA GLY A 113 -11.620 3.462 -6.512 1.00 0.76 C ATOM 1789 C GLY A 113 -12.602 2.734 -7.401 1.00 0.77 C ATOM 1790 O GLY A 113 -13.155 1.709 -7.015 1.00 0.80 O ATOM 0 H GLY A 113 -10.081 3.992 -7.836 1.00 0.81 H new ATOM 0 HA2 GLY A 113 -11.645 3.034 -5.510 1.00 0.76 H new ATOM 0 HA3 GLY A 113 -11.915 4.507 -6.419 1.00 0.76 H new ATOM 1794 N PRO A 114 -12.831 3.229 -8.622 1.00 0.90 N ATOM 1795 CA PRO A 114 -13.676 2.540 -9.598 1.00 1.07 C ATOM 1796 C PRO A 114 -13.110 1.177 -10.004 1.00 0.90 C ATOM 1797 O PRO A 114 -13.816 0.356 -10.588 1.00 1.05 O ATOM 1798 CB PRO A 114 -13.700 3.494 -10.800 1.00 1.40 C ATOM 1799 CG PRO A 114 -12.521 4.385 -10.616 1.00 1.38 C ATOM 1800 CD PRO A 114 -12.330 4.513 -9.135 1.00 1.03 C ATOM 0 HA PRO A 114 -14.665 2.326 -9.193 1.00 1.07 H new ATOM 0 HB2 PRO A 114 -13.636 2.945 -11.740 1.00 1.40 H new ATOM 0 HB3 PRO A 114 -14.626 4.068 -10.829 1.00 1.40 H new ATOM 0 HG2 PRO A 114 -11.635 3.963 -11.089 1.00 1.38 H new ATOM 0 HG3 PRO A 114 -12.693 5.359 -11.073 1.00 1.38 H new ATOM 0 HD2 PRO A 114 -11.283 4.670 -8.876 1.00 1.03 H new ATOM 0 HD3 PRO A 114 -12.889 5.356 -8.728 1.00 1.03 H new ATOM 1808 N ARG A 115 -11.836 0.932 -9.690 1.00 0.72 N ATOM 1809 CA ARG A 115 -11.202 -0.321 -10.039 1.00 0.74 C ATOM 1810 C ARG A 115 -11.194 -1.278 -8.853 1.00 0.69 C ATOM 1811 O ARG A 115 -10.941 -2.469 -9.027 1.00 0.86 O ATOM 1812 CB ARG A 115 -9.771 -0.095 -10.534 1.00 0.96 C ATOM 1813 CG ARG A 115 -9.650 0.242 -12.018 1.00 1.39 C ATOM 1814 CD ARG A 115 -10.279 1.581 -12.367 1.00 1.63 C ATOM 1815 NE ARG A 115 -9.996 1.967 -13.750 1.00 1.81 N ATOM 1816 CZ ARG A 115 -10.503 3.044 -14.350 1.00 2.32 C ATOM 1817 NH1 ARG A 115 -11.367 3.825 -13.713 1.00 2.92 N ATOM 1818 NH2 ARG A 115 -10.150 3.326 -15.596 1.00 2.62 N ATOM 0 H ARG A 115 -11.232 1.589 -9.196 1.00 0.72 H new ATOM 0 HA ARG A 115 -11.783 -0.768 -10.846 1.00 0.74 H new ATOM 0 HB2 ARG A 115 -9.325 0.714 -9.955 1.00 0.96 H new ATOM 0 HB3 ARG A 115 -9.186 -0.992 -10.331 1.00 0.96 H new ATOM 0 HG2 ARG A 115 -8.597 0.255 -12.299 1.00 1.39 H new ATOM 0 HG3 ARG A 115 -10.127 -0.543 -12.605 1.00 1.39 H new ATOM 0 HD2 ARG A 115 -11.357 1.527 -12.218 1.00 1.63 H new ATOM 0 HD3 ARG A 115 -9.902 2.348 -11.690 1.00 1.63 H new ATOM 0 HE ARG A 115 -9.369 1.372 -14.291 1.00 1.81 H new ATOM 0 HH11 ARG A 115 -11.647 3.603 -12.758 1.00 2.92 H new ATOM 0 HH12 ARG A 115 -11.751 4.647 -14.179 1.00 2.92 H new ATOM 0 HH21 ARG A 115 -9.494 2.721 -16.090 1.00 2.62 H new ATOM 0 HH22 ARG A 115 -10.534 4.148 -16.061 1.00 2.62 H new ATOM 1832 N THR A 116 -11.440 -0.770 -7.641 1.00 0.61 N ATOM 1833 CA THR A 116 -11.521 -1.648 -6.496 1.00 0.75 C ATOM 1834 C THR A 116 -12.874 -2.336 -6.404 1.00 0.85 C ATOM 1835 O THR A 116 -13.904 -1.754 -6.053 1.00 1.23 O ATOM 1836 CB THR A 116 -11.154 -0.939 -5.203 1.00 0.93 C ATOM 1837 OG1 THR A 116 -11.710 0.376 -5.181 1.00 0.93 O ATOM 1838 CG2 THR A 116 -9.640 -0.886 -5.077 1.00 1.13 C ATOM 0 H THR A 116 -11.582 0.220 -7.441 1.00 0.61 H new ATOM 0 HA THR A 116 -10.776 -2.430 -6.646 1.00 0.75 H new ATOM 0 HB THR A 116 -11.565 -1.489 -4.356 1.00 0.93 H new ATOM 0 HG1 THR A 116 -10.988 1.035 -5.114 1.00 0.93 H new ATOM 0 HG21 THR A 116 -9.370 -0.378 -4.151 1.00 1.13 H new ATOM 0 HG22 THR A 116 -9.240 -1.900 -5.065 1.00 1.13 H new ATOM 0 HG23 THR A 116 -9.223 -0.342 -5.924 1.00 1.13 H new ATOM 1846 N HIS A 117 -12.790 -3.606 -6.725 1.00 0.70 N ATOM 1847 CA HIS A 117 -13.882 -4.505 -7.017 1.00 0.77 C ATOM 1848 C HIS A 117 -13.146 -5.543 -7.822 1.00 0.68 C ATOM 1849 O HIS A 117 -11.927 -5.372 -7.985 1.00 0.61 O ATOM 1850 CB HIS A 117 -14.974 -3.817 -7.851 1.00 0.89 C ATOM 1851 CG HIS A 117 -16.316 -4.475 -7.769 1.00 1.23 C ATOM 1852 ND1 HIS A 117 -17.248 -4.157 -6.804 1.00 1.92 N ATOM 1853 CD2 HIS A 117 -16.886 -5.432 -8.534 1.00 2.10 C ATOM 1854 CE1 HIS A 117 -18.330 -4.890 -6.983 1.00 2.75 C ATOM 1855 NE2 HIS A 117 -18.136 -5.670 -8.025 1.00 2.85 N ATOM 0 H HIS A 117 -11.886 -4.073 -6.794 1.00 0.70 H new ATOM 0 HA HIS A 117 -14.414 -4.884 -6.145 1.00 0.77 H new ATOM 0 HB2 HIS A 117 -15.069 -2.782 -7.522 1.00 0.89 H new ATOM 0 HB3 HIS A 117 -14.657 -3.792 -8.894 1.00 0.89 H new ATOM 0 HD2 HIS A 117 -16.439 -5.919 -9.388 1.00 2.10 H new ATOM 0 HE1 HIS A 117 -19.223 -4.856 -6.377 1.00 2.75 H new ATOM 0 HE2 HIS A 117 -18.808 -6.343 -8.394 1.00 2.85 H new ATOM 1864 N TYR A 118 -13.731 -6.588 -8.359 1.00 0.73 N ATOM 1865 CA TYR A 118 -12.864 -7.347 -9.218 1.00 0.69 C ATOM 1866 C TYR A 118 -12.914 -6.692 -10.580 1.00 0.68 C ATOM 1867 O TYR A 118 -13.651 -7.084 -11.488 1.00 0.77 O ATOM 1868 CB TYR A 118 -13.250 -8.825 -9.300 1.00 0.78 C ATOM 1869 CG TYR A 118 -12.146 -9.679 -9.898 1.00 1.42 C ATOM 1870 CD1 TYR A 118 -11.071 -10.091 -9.120 1.00 1.90 C ATOM 1871 CD2 TYR A 118 -12.163 -10.050 -11.238 1.00 2.33 C ATOM 1872 CE1 TYR A 118 -10.047 -10.851 -9.657 1.00 2.72 C ATOM 1873 CE2 TYR A 118 -11.141 -10.808 -11.783 1.00 3.13 C ATOM 1874 CZ TYR A 118 -10.086 -11.205 -10.988 1.00 3.19 C ATOM 1875 OH TYR A 118 -9.062 -11.954 -11.528 1.00 4.11 O ATOM 0 H TYR A 118 -14.693 -6.905 -8.238 1.00 0.73 H new ATOM 0 HA TYR A 118 -11.852 -7.341 -8.812 1.00 0.69 H new ATOM 0 HB2 TYR A 118 -13.489 -9.191 -8.302 1.00 0.78 H new ATOM 0 HB3 TYR A 118 -14.153 -8.929 -9.902 1.00 0.78 H new ATOM 0 HD1 TYR A 118 -11.034 -9.813 -8.077 1.00 1.90 H new ATOM 0 HD2 TYR A 118 -12.987 -9.742 -11.864 1.00 2.33 H new ATOM 0 HE1 TYR A 118 -9.221 -11.165 -9.036 1.00 2.72 H new ATOM 0 HE2 TYR A 118 -11.170 -11.087 -12.826 1.00 3.13 H new ATOM 0 HH TYR A 118 -9.243 -12.119 -12.477 1.00 4.11 H new ATOM 1885 N GLY A 119 -12.101 -5.647 -10.653 1.00 0.62 N ATOM 1886 CA GLY A 119 -11.738 -4.996 -11.876 1.00 0.65 C ATOM 1887 C GLY A 119 -10.299 -5.300 -12.181 1.00 0.65 C ATOM 1888 O GLY A 119 -9.911 -5.567 -13.320 1.00 0.73 O ATOM 0 H GLY A 119 -11.670 -5.226 -9.830 1.00 0.62 H new ATOM 0 HA2 GLY A 119 -12.376 -5.340 -12.690 1.00 0.65 H new ATOM 0 HA3 GLY A 119 -11.885 -3.920 -11.788 1.00 0.65 H new ATOM 1892 N GLN A 120 -9.514 -5.276 -11.105 1.00 0.60 N ATOM 1893 CA GLN A 120 -8.072 -5.420 -11.173 1.00 0.64 C ATOM 1894 C GLN A 120 -7.552 -6.190 -9.961 1.00 0.62 C ATOM 1895 O GLN A 120 -7.980 -5.947 -8.832 1.00 0.56 O ATOM 1896 CB GLN A 120 -7.428 -4.027 -11.198 1.00 0.67 C ATOM 1897 CG GLN A 120 -7.152 -3.488 -12.590 1.00 1.05 C ATOM 1898 CD GLN A 120 -5.982 -4.179 -13.258 1.00 1.50 C ATOM 1899 OE1 GLN A 120 -4.831 -3.774 -13.086 1.00 2.19 O ATOM 1900 NE2 GLN A 120 -6.259 -5.219 -14.026 1.00 2.13 N ATOM 0 H GLN A 120 -9.870 -5.155 -10.157 1.00 0.60 H new ATOM 0 HA GLN A 120 -7.815 -5.972 -12.077 1.00 0.64 H new ATOM 0 HB2 GLN A 120 -8.081 -3.329 -10.674 1.00 0.67 H new ATOM 0 HB3 GLN A 120 -6.490 -4.064 -10.643 1.00 0.67 H new ATOM 0 HG2 GLN A 120 -8.042 -3.610 -13.207 1.00 1.05 H new ATOM 0 HG3 GLN A 120 -6.951 -2.418 -12.529 1.00 1.05 H new ATOM 0 HE21 GLN A 120 -7.225 -5.524 -14.143 1.00 2.13 H new ATOM 0 HE22 GLN A 120 -5.506 -5.717 -14.501 1.00 2.13 H new ATOM 1909 N LYS A 121 -6.597 -7.087 -10.181 1.00 0.75 N ATOM 1910 CA LYS A 121 -5.952 -7.789 -9.076 1.00 0.78 C ATOM 1911 C LYS A 121 -4.795 -6.964 -8.540 1.00 0.70 C ATOM 1912 O LYS A 121 -3.820 -7.480 -7.999 1.00 0.75 O ATOM 1913 CB LYS A 121 -5.489 -9.182 -9.490 1.00 1.06 C ATOM 1914 CG LYS A 121 -4.542 -9.215 -10.676 1.00 1.43 C ATOM 1915 CD LYS A 121 -3.977 -10.610 -10.881 1.00 1.94 C ATOM 1916 CE LYS A 121 -3.386 -10.776 -12.270 1.00 2.28 C ATOM 1917 NZ LYS A 121 -4.434 -10.688 -13.321 1.00 2.85 N ATOM 0 H LYS A 121 -6.254 -7.344 -11.107 1.00 0.75 H new ATOM 0 HA LYS A 121 -6.686 -7.920 -8.281 1.00 0.78 H new ATOM 0 HB2 LYS A 121 -4.998 -9.654 -8.639 1.00 1.06 H new ATOM 0 HB3 LYS A 121 -6.366 -9.785 -9.727 1.00 1.06 H new ATOM 0 HG2 LYS A 121 -5.068 -8.896 -11.576 1.00 1.43 H new ATOM 0 HG3 LYS A 121 -3.728 -8.509 -10.516 1.00 1.43 H new ATOM 0 HD2 LYS A 121 -3.209 -10.806 -10.133 1.00 1.94 H new ATOM 0 HD3 LYS A 121 -4.765 -11.348 -10.730 1.00 1.94 H new ATOM 0 HE2 LYS A 121 -2.633 -10.007 -12.440 1.00 2.28 H new ATOM 0 HE3 LYS A 121 -2.880 -11.739 -12.339 1.00 2.28 H new ATOM 0 HZ1 LYS A 121 -4.112 -11.188 -14.175 1.00 2.85 H new ATOM 0 HZ2 LYS A 121 -5.311 -11.125 -12.974 1.00 2.85 H new ATOM 0 HZ3 LYS A 121 -4.612 -9.689 -13.551 1.00 2.85 H new ATOM 1931 N ALA A 122 -4.931 -5.667 -8.713 1.00 0.67 N ATOM 1932 CA ALA A 122 -4.048 -4.695 -8.093 1.00 0.72 C ATOM 1933 C ALA A 122 -4.493 -4.477 -6.651 1.00 0.54 C ATOM 1934 O ALA A 122 -3.922 -3.684 -5.904 1.00 0.59 O ATOM 1935 CB ALA A 122 -4.077 -3.396 -8.880 1.00 0.92 C ATOM 0 H ALA A 122 -5.661 -5.252 -9.291 1.00 0.67 H new ATOM 0 HA ALA A 122 -3.022 -5.062 -8.094 1.00 0.72 H new ATOM 0 HB1 ALA A 122 -3.413 -2.671 -8.410 1.00 0.92 H new ATOM 0 HB2 ALA A 122 -3.746 -3.582 -9.902 1.00 0.92 H new ATOM 0 HB3 ALA A 122 -5.093 -3.002 -8.894 1.00 0.92 H new ATOM 1941 N ILE A 123 -5.561 -5.177 -6.297 1.00 0.44 N ATOM 1942 CA ILE A 123 -6.055 -5.226 -4.931 1.00 0.44 C ATOM 1943 C ILE A 123 -5.404 -6.398 -4.187 1.00 0.40 C ATOM 1944 O ILE A 123 -5.673 -6.648 -3.012 1.00 0.49 O ATOM 1945 CB ILE A 123 -7.592 -5.371 -4.936 1.00 0.54 C ATOM 1946 CG1 ILE A 123 -8.206 -4.303 -5.837 1.00 0.83 C ATOM 1947 CG2 ILE A 123 -8.167 -5.261 -3.526 1.00 0.83 C ATOM 1948 CD1 ILE A 123 -9.691 -4.463 -6.025 1.00 1.37 C ATOM 0 H ILE A 123 -6.111 -5.730 -6.954 1.00 0.44 H new ATOM 0 HA ILE A 123 -5.796 -4.300 -4.417 1.00 0.44 H new ATOM 0 HB ILE A 123 -7.840 -6.360 -5.321 1.00 0.54 H new ATOM 0 HG12 ILE A 123 -8.005 -3.320 -5.412 1.00 0.83 H new ATOM 0 HG13 ILE A 123 -7.718 -4.335 -6.811 1.00 0.83 H new ATOM 0 HG21 ILE A 123 -9.251 -5.367 -3.566 1.00 0.83 H new ATOM 0 HG22 ILE A 123 -7.748 -6.048 -2.900 1.00 0.83 H new ATOM 0 HG23 ILE A 123 -7.913 -4.288 -3.104 1.00 0.83 H new ATOM 0 HD11 ILE A 123 -10.063 -3.671 -6.676 1.00 1.37 H new ATOM 0 HD12 ILE A 123 -9.898 -5.432 -6.478 1.00 1.37 H new ATOM 0 HD13 ILE A 123 -10.189 -4.401 -5.057 1.00 1.37 H new ATOM 1960 N LEU A 124 -4.526 -7.109 -4.886 1.00 0.38 N ATOM 1961 CA LEU A 124 -3.776 -8.198 -4.286 1.00 0.43 C ATOM 1962 C LEU A 124 -2.423 -7.682 -3.831 1.00 0.37 C ATOM 1963 O LEU A 124 -1.543 -7.394 -4.647 1.00 0.46 O ATOM 1964 CB LEU A 124 -3.605 -9.366 -5.264 1.00 0.63 C ATOM 1965 CG LEU A 124 -4.791 -10.338 -5.355 1.00 1.21 C ATOM 1966 CD1 LEU A 124 -6.042 -9.643 -5.872 1.00 1.77 C ATOM 1967 CD2 LEU A 124 -4.437 -11.522 -6.242 1.00 1.83 C ATOM 0 H LEU A 124 -4.318 -6.947 -5.871 1.00 0.38 H new ATOM 0 HA LEU A 124 -4.332 -8.573 -3.427 1.00 0.43 H new ATOM 0 HB2 LEU A 124 -3.415 -8.959 -6.257 1.00 0.63 H new ATOM 0 HB3 LEU A 124 -2.718 -9.930 -4.976 1.00 0.63 H new ATOM 0 HG LEU A 124 -5.004 -10.700 -4.349 1.00 1.21 H new ATOM 0 HD11 LEU A 124 -6.861 -10.360 -5.924 1.00 1.77 H new ATOM 0 HD12 LEU A 124 -6.312 -8.831 -5.197 1.00 1.77 H new ATOM 0 HD13 LEU A 124 -5.850 -9.240 -6.866 1.00 1.77 H new ATOM 0 HD21 LEU A 124 -5.287 -12.202 -6.297 1.00 1.83 H new ATOM 0 HD22 LEU A 124 -4.191 -11.166 -7.243 1.00 1.83 H new ATOM 0 HD23 LEU A 124 -3.579 -12.047 -5.823 1.00 1.83 H new ATOM 1979 N PHE A 125 -2.268 -7.579 -2.523 1.00 0.37 N ATOM 1980 CA PHE A 125 -1.119 -6.918 -1.929 1.00 0.45 C ATOM 1981 C PHE A 125 -0.041 -7.910 -1.525 1.00 0.36 C ATOM 1982 O PHE A 125 -0.334 -8.921 -0.879 1.00 0.51 O ATOM 1983 CB PHE A 125 -1.562 -6.138 -0.681 1.00 0.81 C ATOM 1984 CG PHE A 125 -2.316 -4.859 -0.952 1.00 0.60 C ATOM 1985 CD1 PHE A 125 -3.440 -4.845 -1.762 1.00 1.00 C ATOM 1986 CD2 PHE A 125 -1.892 -3.665 -0.389 1.00 1.05 C ATOM 1987 CE1 PHE A 125 -4.122 -3.669 -2.004 1.00 1.05 C ATOM 1988 CE2 PHE A 125 -2.570 -2.487 -0.628 1.00 1.18 C ATOM 1989 CZ PHE A 125 -3.686 -2.489 -1.437 1.00 0.85 C ATOM 0 H PHE A 125 -2.933 -7.950 -1.844 1.00 0.37 H new ATOM 0 HA PHE A 125 -0.704 -6.245 -2.679 1.00 0.45 H new ATOM 0 HB2 PHE A 125 -2.189 -6.788 -0.071 1.00 0.81 H new ATOM 0 HB3 PHE A 125 -0.678 -5.901 -0.089 1.00 0.81 H new ATOM 0 HD1 PHE A 125 -3.787 -5.765 -2.209 1.00 1.00 H new ATOM 0 HD2 PHE A 125 -1.018 -3.657 0.246 1.00 1.05 H new ATOM 0 HE1 PHE A 125 -4.997 -3.673 -2.637 1.00 1.05 H new ATOM 0 HE2 PHE A 125 -2.227 -1.565 -0.182 1.00 1.18 H new ATOM 0 HZ PHE A 125 -4.218 -1.569 -1.627 1.00 0.85 H new ATOM 1999 N LEU A 126 1.209 -7.630 -1.904 1.00 0.36 N ATOM 2000 CA LEU A 126 2.319 -8.398 -1.387 1.00 0.49 C ATOM 2001 C LEU A 126 3.316 -7.449 -0.736 1.00 0.48 C ATOM 2002 O LEU A 126 3.897 -6.587 -1.398 1.00 0.49 O ATOM 2003 CB LEU A 126 3.004 -9.218 -2.489 1.00 0.68 C ATOM 2004 CG LEU A 126 2.121 -10.246 -3.208 1.00 1.22 C ATOM 2005 CD1 LEU A 126 1.319 -9.592 -4.326 1.00 1.98 C ATOM 2006 CD2 LEU A 126 2.965 -11.387 -3.754 1.00 1.96 C ATOM 0 H LEU A 126 1.464 -6.888 -2.556 1.00 0.36 H new ATOM 0 HA LEU A 126 1.940 -9.105 -0.649 1.00 0.49 H new ATOM 0 HB2 LEU A 126 3.404 -8.528 -3.232 1.00 0.68 H new ATOM 0 HB3 LEU A 126 3.854 -9.741 -2.050 1.00 0.68 H new ATOM 0 HG LEU A 126 1.418 -10.652 -2.481 1.00 1.22 H new ATOM 0 HD11 LEU A 126 0.702 -10.343 -4.819 1.00 1.98 H new ATOM 0 HD12 LEU A 126 0.679 -8.814 -3.908 1.00 1.98 H new ATOM 0 HD13 LEU A 126 2.001 -9.150 -5.052 1.00 1.98 H new ATOM 0 HD21 LEU A 126 2.321 -12.106 -4.260 1.00 1.96 H new ATOM 0 HD22 LEU A 126 3.696 -10.993 -4.461 1.00 1.96 H new ATOM 0 HD23 LEU A 126 3.484 -11.881 -2.933 1.00 1.96 H new ATOM 2018 N PRO A 127 3.505 -7.582 0.580 1.00 0.54 N ATOM 2019 CA PRO A 127 4.416 -6.760 1.345 1.00 0.55 C ATOM 2020 C PRO A 127 5.676 -7.510 1.765 1.00 0.53 C ATOM 2021 O PRO A 127 5.640 -8.368 2.648 1.00 0.66 O ATOM 2022 CB PRO A 127 3.557 -6.442 2.574 1.00 0.72 C ATOM 2023 CG PRO A 127 2.612 -7.611 2.715 1.00 0.81 C ATOM 2024 CD PRO A 127 2.764 -8.466 1.474 1.00 0.68 C ATOM 0 HA PRO A 127 4.785 -5.897 0.790 1.00 0.55 H new ATOM 0 HB2 PRO A 127 4.174 -6.326 3.465 1.00 0.72 H new ATOM 0 HB3 PRO A 127 3.010 -5.509 2.441 1.00 0.72 H new ATOM 0 HG2 PRO A 127 2.845 -8.188 3.610 1.00 0.81 H new ATOM 0 HG3 PRO A 127 1.584 -7.264 2.819 1.00 0.81 H new ATOM 0 HD2 PRO A 127 3.309 -9.388 1.679 1.00 0.68 H new ATOM 0 HD3 PRO A 127 1.799 -8.752 1.056 1.00 0.68 H new ATOM 2032 N LEU A 128 6.795 -7.184 1.140 1.00 0.44 N ATOM 2033 CA LEU A 128 8.060 -7.822 1.493 1.00 0.46 C ATOM 2034 C LEU A 128 8.962 -6.851 2.230 1.00 0.39 C ATOM 2035 O LEU A 128 9.346 -5.831 1.682 1.00 0.39 O ATOM 2036 CB LEU A 128 8.785 -8.349 0.254 1.00 0.56 C ATOM 2037 CG LEU A 128 8.193 -9.611 -0.368 1.00 0.98 C ATOM 2038 CD1 LEU A 128 9.070 -10.091 -1.513 1.00 1.34 C ATOM 2039 CD2 LEU A 128 8.037 -10.705 0.680 1.00 1.47 C ATOM 0 H LEU A 128 6.858 -6.491 0.394 1.00 0.44 H new ATOM 0 HA LEU A 128 7.827 -8.665 2.144 1.00 0.46 H new ATOM 0 HB2 LEU A 128 8.795 -7.563 -0.501 1.00 0.56 H new ATOM 0 HB3 LEU A 128 9.823 -8.549 0.520 1.00 0.56 H new ATOM 0 HG LEU A 128 7.204 -9.373 -0.761 1.00 0.98 H new ATOM 0 HD11 LEU A 128 8.638 -10.992 -1.949 1.00 1.34 H new ATOM 0 HD12 LEU A 128 9.133 -9.313 -2.274 1.00 1.34 H new ATOM 0 HD13 LEU A 128 10.069 -10.313 -1.138 1.00 1.34 H new ATOM 0 HD21 LEU A 128 7.613 -11.596 0.216 1.00 1.47 H new ATOM 0 HD22 LEU A 128 9.012 -10.945 1.103 1.00 1.47 H new ATOM 0 HD23 LEU A 128 7.373 -10.358 1.472 1.00 1.47 H new ATOM 2051 N PRO A 129 9.344 -7.166 3.467 1.00 0.41 N ATOM 2052 CA PRO A 129 10.183 -6.279 4.266 1.00 0.40 C ATOM 2053 C PRO A 129 11.654 -6.451 3.912 1.00 0.48 C ATOM 2054 O PRO A 129 12.051 -7.489 3.375 1.00 0.55 O ATOM 2055 CB PRO A 129 9.891 -6.752 5.686 1.00 0.48 C ATOM 2056 CG PRO A 129 9.624 -8.214 5.548 1.00 0.68 C ATOM 2057 CD PRO A 129 8.982 -8.399 4.196 1.00 0.53 C ATOM 0 HA PRO A 129 9.978 -5.220 4.111 1.00 0.40 H new ATOM 0 HB2 PRO A 129 10.736 -6.564 6.348 1.00 0.48 H new ATOM 0 HB3 PRO A 129 9.032 -6.230 6.109 1.00 0.48 H new ATOM 0 HG2 PRO A 129 10.548 -8.787 5.622 1.00 0.68 H new ATOM 0 HG3 PRO A 129 8.966 -8.566 6.343 1.00 0.68 H new ATOM 0 HD2 PRO A 129 9.359 -9.288 3.691 1.00 0.53 H new ATOM 0 HD3 PRO A 129 7.901 -8.514 4.278 1.00 0.53 H new ATOM 2065 N VAL A 130 12.457 -5.425 4.182 1.00 0.56 N ATOM 2066 CA VAL A 130 13.838 -5.419 3.708 1.00 0.76 C ATOM 2067 C VAL A 130 14.666 -6.490 4.403 1.00 0.97 C ATOM 2068 O VAL A 130 14.775 -6.536 5.631 1.00 1.03 O ATOM 2069 CB VAL A 130 14.536 -4.067 3.903 1.00 0.93 C ATOM 2070 CG1 VAL A 130 15.737 -3.946 2.977 1.00 1.43 C ATOM 2071 CG2 VAL A 130 13.570 -2.908 3.696 1.00 1.36 C ATOM 0 H VAL A 130 12.182 -4.601 4.717 1.00 0.56 H new ATOM 0 HA VAL A 130 13.775 -5.623 2.639 1.00 0.76 H new ATOM 0 HB VAL A 130 14.890 -4.019 4.933 1.00 0.93 H new ATOM 0 HG11 VAL A 130 16.219 -2.980 3.130 1.00 1.43 H new ATOM 0 HG12 VAL A 130 16.447 -4.744 3.195 1.00 1.43 H new ATOM 0 HG13 VAL A 130 15.407 -4.027 1.941 1.00 1.43 H new ATOM 0 HG21 VAL A 130 14.097 -1.965 3.842 1.00 1.36 H new ATOM 0 HG22 VAL A 130 13.167 -2.946 2.684 1.00 1.36 H new ATOM 0 HG23 VAL A 130 12.754 -2.982 4.414 1.00 1.36 H new ATOM 2081 N SER A 131 15.292 -7.302 3.591 1.00 1.27 N ATOM 2082 CA SER A 131 16.021 -8.467 4.057 1.00 1.65 C ATOM 2083 C SER A 131 17.471 -8.094 4.347 1.00 1.86 C ATOM 2084 O SER A 131 17.990 -7.119 3.800 1.00 1.88 O ATOM 2085 CB SER A 131 15.944 -9.578 3.001 1.00 2.07 C ATOM 2086 OG SER A 131 16.613 -10.756 3.423 1.00 2.32 O ATOM 0 H SER A 131 15.314 -7.178 2.579 1.00 1.27 H new ATOM 0 HA SER A 131 15.572 -8.832 4.981 1.00 1.65 H new ATOM 0 HB2 SER A 131 14.899 -9.809 2.792 1.00 2.07 H new ATOM 0 HB3 SER A 131 16.385 -9.224 2.069 1.00 2.07 H new ATOM 0 HG SER A 131 16.541 -11.441 2.726 1.00 2.32 H new ATOM 2092 N SER A 132 18.123 -8.874 5.195 1.00 2.21 N ATOM 2093 CA SER A 132 19.492 -8.601 5.585 1.00 2.54 C ATOM 2094 C SER A 132 20.448 -9.315 4.647 1.00 3.02 C ATOM 2095 O SER A 132 20.892 -10.432 4.917 1.00 3.59 O ATOM 2096 CB SER A 132 19.734 -9.076 7.017 1.00 2.98 C ATOM 2097 OG SER A 132 18.712 -8.623 7.885 1.00 2.97 O ATOM 0 H SER A 132 17.721 -9.706 5.627 1.00 2.21 H new ATOM 0 HA SER A 132 19.665 -7.526 5.530 1.00 2.54 H new ATOM 0 HB2 SER A 132 19.778 -10.165 7.039 1.00 2.98 H new ATOM 0 HB3 SER A 132 20.700 -8.711 7.366 1.00 2.98 H new ATOM 0 HG SER A 132 18.890 -8.942 8.794 1.00 2.97 H new ATOM 2103 N ASP A 133 20.731 -8.669 3.531 1.00 3.06 N ATOM 2104 CA ASP A 133 21.651 -9.206 2.549 1.00 3.74 C ATOM 2105 C ASP A 133 22.752 -8.194 2.285 1.00 3.96 C ATOM 2106 O ASP A 133 23.792 -8.260 2.966 1.00 4.33 O ATOM 2107 CB ASP A 133 20.913 -9.547 1.253 1.00 3.99 C ATOM 2108 CG ASP A 133 21.805 -10.230 0.237 1.00 4.66 C ATOM 2109 OD1 ASP A 133 22.242 -11.372 0.492 1.00 5.12 O ATOM 2110 OD2 ASP A 133 22.082 -9.620 -0.818 1.00 5.00 O ATOM 2111 OXT ASP A 133 22.554 -7.301 1.438 1.00 4.10 O ATOM 0 H ASP A 133 20.332 -7.764 3.282 1.00 3.06 H new ATOM 0 HA ASP A 133 22.093 -10.124 2.936 1.00 3.74 H new ATOM 0 HB2 ASP A 133 20.066 -10.194 1.481 1.00 3.99 H new ATOM 0 HB3 ASP A 133 20.508 -8.633 0.819 1.00 3.99 H new TER 2116 ASP A 133