USER MOD reduce.3.24.130724 H: found=0, std=0, add=1184, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1184 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 138 MET CE :methyl -124:sc= -0.0815 (180deg=-1.69) USER MOD Set 1.2: A 141 MET CE :methyl -153:sc= -1.15 (180deg=-1.69) USER MOD Set 2.1: A 80 THR OG1 : rot 140:sc= -0.47 USER MOD Set 2.2: A 81 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: A 109 HIS : no HE2:sc= -2.54 X(o=-3,f=-3!) USER MOD Set 3.1: A 108 THR OG1 : rot -124:sc= 1.25 USER MOD Set 3.2: A 127 SER OG : rot -108:sc= 1.24 USER MOD Set 4.1: A 49 THR OG1 : rot 148:sc= 0.391 USER MOD Set 4.2: A 66 THR OG1 : rot 180:sc= 0.367 USER MOD Single : A 4 SER OG : rot -110:sc= 0.162 USER MOD Single : A 7 LYS NZ :NH3+ -128:sc= -0.849 (180deg=-3.08!) USER MOD Single : A 13 SER OG : rot 81:sc= -0.844 USER MOD Single : A 15 SER OG : rot -107:sc= 0.0153 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.493 K(o=-0.49,f=-1.6) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.0236 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot -19:sc= 0.277 USER MOD Single : A 64 TYR OH : rot -163:sc= 0.0121 USER MOD Single : A 65 MET CE :methyl 174:sc= 0 (180deg=-0.0545) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.298 USER MOD Single : A 72 LYS NZ :NH3+ -153:sc= 0.682 (180deg=0.275) USER MOD Single : A 78 GLN : amide:sc=-0.00163 X(o=-0.0016,f=-0.22) USER MOD Single : A 87 HIS : no HD1:sc= -0.0275 X(o=-0.028,f=-0.35) USER MOD Single : A 98 HIS : no HD1:sc= -0.0504 X(o=-0.05,f=-0.029) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 121 THR OG1 : rot 0:sc= 0.352 USER MOD Single : A 123 MET CE :methyl -115:sc= -0.99 (180deg=-1.88) USER MOD Single : A 124 THR OG1 : rot 180:sc= 0 USER MOD Single : A 128 THR OG1 : rot -54:sc= -0.696 USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 134 GLN : amide:sc= 0.609 K(o=0.61,f=-7!) USER MOD Single : A 135 MET CE :methyl -162:sc= -0.633 (180deg=-1.09) USER MOD Single : A 136 GLN : amide:sc= -1.84! C(o=-1.8!,f=-6.6!) USER MOD Single : A 137 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.022) USER MOD Single : A 143 MET CE :methyl -107:sc= -0.5 (180deg=-1.47) USER MOD Single : A 147 MET CE :methyl -132:sc= -1.02 (180deg=-1.27) USER MOD Single : A 153 GLN : amide:sc= -3.45! K(o=-3.5!,f=-0.82) USER MOD Single : A 159 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 17 N VAL A 2 -9.801 0.412 -9.857 1.00 64.30 N ATOM 18 CA VAL A 2 -8.707 -0.477 -10.358 1.00 22.11 C ATOM 19 C VAL A 2 -8.828 -0.783 -11.884 1.00 43.11 C ATOM 20 O VAL A 2 -9.485 -1.741 -12.298 1.00 42.24 O ATOM 21 CB VAL A 2 -8.552 -1.798 -9.503 1.00 33.11 C ATOM 22 CG1 VAL A 2 -7.535 -2.777 -10.131 1.00 2.10 C ATOM 23 CG2 VAL A 2 -8.114 -1.474 -8.055 1.00 73.44 C ATOM 0 HA VAL A 2 -7.785 0.090 -10.226 1.00 22.11 H new ATOM 0 HB VAL A 2 -9.532 -2.276 -9.490 1.00 33.11 H new ATOM 0 HG11 VAL A 2 -7.460 -3.671 -9.511 1.00 2.10 H new ATOM 0 HG12 VAL A 2 -7.868 -3.056 -11.131 1.00 2.10 H new ATOM 0 HG13 VAL A 2 -6.559 -2.296 -10.195 1.00 2.10 H new ATOM 0 HG21 VAL A 2 -8.015 -2.400 -7.489 1.00 73.44 H new ATOM 0 HG22 VAL A 2 -7.156 -0.955 -8.072 1.00 73.44 H new ATOM 0 HG23 VAL A 2 -8.862 -0.838 -7.582 1.00 73.44 H new ATOM 33 N VAL A 3 -8.215 0.072 -12.711 1.00 75.24 N ATOM 34 CA VAL A 3 -8.242 -0.077 -14.187 1.00 52.43 C ATOM 35 C VAL A 3 -7.195 -1.102 -14.702 1.00 55.41 C ATOM 36 O VAL A 3 -7.291 -1.555 -15.849 1.00 21.12 O ATOM 37 CB VAL A 3 -8.062 1.314 -14.906 1.00 45.43 C ATOM 38 CG1 VAL A 3 -9.323 2.192 -14.725 1.00 55.32 C ATOM 39 CG2 VAL A 3 -6.801 2.053 -14.392 1.00 13.23 C ATOM 0 H VAL A 3 -7.688 0.883 -12.388 1.00 75.24 H new ATOM 0 HA VAL A 3 -9.226 -0.471 -14.440 1.00 52.43 H new ATOM 0 HB VAL A 3 -7.926 1.123 -15.971 1.00 45.43 H new ATOM 0 HG11 VAL A 3 -9.177 3.147 -15.229 1.00 55.32 H new ATOM 0 HG12 VAL A 3 -10.186 1.683 -15.155 1.00 55.32 H new ATOM 0 HG13 VAL A 3 -9.496 2.365 -13.663 1.00 55.32 H new ATOM 0 HG21 VAL A 3 -6.704 3.009 -14.907 1.00 13.23 H new ATOM 0 HG22 VAL A 3 -6.892 2.226 -13.320 1.00 13.23 H new ATOM 0 HG23 VAL A 3 -5.918 1.445 -14.587 1.00 13.23 H new ATOM 49 N SER A 4 -6.204 -1.462 -13.857 1.00 51.44 N ATOM 50 CA SER A 4 -5.198 -2.504 -14.194 1.00 4.12 C ATOM 51 C SER A 4 -4.590 -3.136 -12.923 1.00 71.15 C ATOM 52 O SER A 4 -4.426 -2.462 -11.905 1.00 12.10 O ATOM 53 CB SER A 4 -4.060 -1.899 -15.056 1.00 11.54 C ATOM 54 OG SER A 4 -3.052 -2.854 -15.351 1.00 32.40 O ATOM 0 H SER A 4 -6.076 -1.048 -12.934 1.00 51.44 H new ATOM 0 HA SER A 4 -5.713 -3.282 -14.758 1.00 4.12 H new ATOM 0 HB2 SER A 4 -4.476 -1.512 -15.986 1.00 11.54 H new ATOM 0 HB3 SER A 4 -3.616 -1.054 -14.529 1.00 11.54 H new ATOM 0 HG SER A 4 -2.232 -2.624 -14.867 1.00 32.40 H new ATOM 60 N VAL A 5 -4.295 -4.451 -12.989 1.00 31.44 N ATOM 61 CA VAL A 5 -3.415 -5.144 -12.018 1.00 61.44 C ATOM 62 C VAL A 5 -2.311 -5.880 -12.802 1.00 73.34 C ATOM 63 O VAL A 5 -2.547 -6.934 -13.408 1.00 64.22 O ATOM 64 CB VAL A 5 -4.182 -6.165 -11.081 1.00 14.31 C ATOM 65 CG1 VAL A 5 -3.207 -6.900 -10.116 1.00 3.21 C ATOM 66 CG2 VAL A 5 -5.281 -5.459 -10.270 1.00 71.34 C ATOM 0 H VAL A 5 -4.660 -5.065 -13.717 1.00 31.44 H new ATOM 0 HA VAL A 5 -2.996 -4.386 -11.356 1.00 61.44 H new ATOM 0 HB VAL A 5 -4.646 -6.905 -11.733 1.00 14.31 H new ATOM 0 HG11 VAL A 5 -3.769 -7.592 -9.489 1.00 3.21 H new ATOM 0 HG12 VAL A 5 -2.469 -7.454 -10.697 1.00 3.21 H new ATOM 0 HG13 VAL A 5 -2.699 -6.170 -9.486 1.00 3.21 H new ATOM 0 HG21 VAL A 5 -5.790 -6.186 -9.637 1.00 71.34 H new ATOM 0 HG22 VAL A 5 -4.833 -4.685 -9.647 1.00 71.34 H new ATOM 0 HG23 VAL A 5 -6.001 -5.005 -10.951 1.00 71.34 H new ATOM 76 N ASP A 6 -1.129 -5.280 -12.826 1.00 21.50 N ATOM 77 CA ASP A 6 0.080 -5.877 -13.408 1.00 25.30 C ATOM 78 C ASP A 6 0.821 -6.690 -12.325 1.00 21.24 C ATOM 79 O ASP A 6 0.948 -6.239 -11.187 1.00 64.20 O ATOM 80 CB ASP A 6 1.005 -4.758 -13.950 1.00 31.52 C ATOM 81 CG ASP A 6 0.240 -3.694 -14.753 1.00 73.31 C ATOM 82 OD1 ASP A 6 0.018 -3.885 -15.967 1.00 33.23 O ATOM 83 OD2 ASP A 6 -0.173 -2.666 -14.151 1.00 32.31 O ATOM 0 H ASP A 6 -0.974 -4.350 -12.437 1.00 21.50 H new ATOM 0 HA ASP A 6 -0.198 -6.538 -14.229 1.00 25.30 H new ATOM 0 HB2 ASP A 6 1.517 -4.279 -13.115 1.00 31.52 H new ATOM 0 HB3 ASP A 6 1.774 -5.202 -14.583 1.00 31.52 H new ATOM 88 N LYS A 7 1.278 -7.896 -12.667 1.00 61.44 N ATOM 89 CA LYS A 7 2.144 -8.698 -11.782 1.00 2.02 C ATOM 90 C LYS A 7 3.314 -9.266 -12.596 1.00 21.23 C ATOM 91 O LYS A 7 3.157 -10.235 -13.352 1.00 64.14 O ATOM 92 CB LYS A 7 1.333 -9.824 -11.100 1.00 53.03 C ATOM 93 CG LYS A 7 2.136 -10.678 -10.091 1.00 33.33 C ATOM 94 CD LYS A 7 1.319 -11.838 -9.454 1.00 35.42 C ATOM 95 CE LYS A 7 0.828 -12.903 -10.470 1.00 63.42 C ATOM 96 NZ LYS A 7 -0.344 -12.459 -11.275 1.00 62.44 N ATOM 0 H LYS A 7 1.064 -8.347 -13.557 1.00 61.44 H new ATOM 0 HA LYS A 7 2.544 -8.062 -10.992 1.00 2.02 H new ATOM 0 HB2 LYS A 7 0.483 -9.379 -10.583 1.00 53.03 H new ATOM 0 HB3 LYS A 7 0.929 -10.481 -11.871 1.00 53.03 H new ATOM 0 HG2 LYS A 7 3.007 -11.095 -10.596 1.00 33.33 H new ATOM 0 HG3 LYS A 7 2.508 -10.030 -9.297 1.00 33.33 H new ATOM 0 HD2 LYS A 7 1.934 -12.328 -8.699 1.00 35.42 H new ATOM 0 HD3 LYS A 7 0.455 -11.419 -8.938 1.00 35.42 H new ATOM 0 HE2 LYS A 7 1.647 -13.156 -11.144 1.00 63.42 H new ATOM 0 HE3 LYS A 7 0.565 -13.814 -9.932 1.00 63.42 H new ATOM 0 HZ1 LYS A 7 -1.096 -13.175 -11.218 1.00 62.44 H new ATOM 0 HZ2 LYS A 7 -0.698 -11.555 -10.903 1.00 62.44 H new ATOM 0 HZ3 LYS A 7 -0.057 -12.337 -12.267 1.00 62.44 H new ATOM 110 N ASP A 8 4.482 -8.640 -12.448 1.00 65.00 N ATOM 111 CA ASP A 8 5.708 -9.027 -13.153 1.00 61.33 C ATOM 112 C ASP A 8 6.500 -10.018 -12.282 1.00 63.34 C ATOM 113 O ASP A 8 7.319 -9.614 -11.457 1.00 2.25 O ATOM 114 CB ASP A 8 6.565 -7.770 -13.470 1.00 65.04 C ATOM 115 CG ASP A 8 5.753 -6.613 -14.081 1.00 54.43 C ATOM 116 OD1 ASP A 8 5.161 -5.823 -13.310 1.00 21.12 O ATOM 117 OD2 ASP A 8 5.695 -6.500 -15.325 1.00 12.40 O ATOM 0 H ASP A 8 4.606 -7.840 -11.828 1.00 65.00 H new ATOM 0 HA ASP A 8 5.450 -9.507 -14.097 1.00 61.33 H new ATOM 0 HB2 ASP A 8 7.042 -7.424 -12.553 1.00 65.04 H new ATOM 0 HB3 ASP A 8 7.362 -8.048 -14.159 1.00 65.04 H new ATOM 122 N VAL A 9 6.204 -11.314 -12.445 1.00 51.31 N ATOM 123 CA VAL A 9 6.901 -12.403 -11.720 1.00 72.12 C ATOM 124 C VAL A 9 8.389 -12.471 -12.147 1.00 11.13 C ATOM 125 O VAL A 9 9.271 -12.779 -11.344 1.00 4.45 O ATOM 126 CB VAL A 9 6.192 -13.788 -11.958 1.00 5.50 C ATOM 127 CG1 VAL A 9 6.829 -14.923 -11.109 1.00 31.41 C ATOM 128 CG2 VAL A 9 4.669 -13.680 -11.687 1.00 22.12 C ATOM 0 H VAL A 9 5.477 -11.644 -13.080 1.00 51.31 H new ATOM 0 HA VAL A 9 6.855 -12.183 -10.653 1.00 72.12 H new ATOM 0 HB VAL A 9 6.338 -14.051 -13.006 1.00 5.50 H new ATOM 0 HG11 VAL A 9 6.308 -15.860 -11.305 1.00 31.41 H new ATOM 0 HG12 VAL A 9 7.881 -15.030 -11.375 1.00 31.41 H new ATOM 0 HG13 VAL A 9 6.746 -14.676 -10.051 1.00 31.41 H new ATOM 0 HG21 VAL A 9 4.199 -14.649 -11.858 1.00 22.12 H new ATOM 0 HG22 VAL A 9 4.504 -13.374 -10.654 1.00 22.12 H new ATOM 0 HG23 VAL A 9 4.231 -12.941 -12.359 1.00 22.12 H new ATOM 138 N GLU A 10 8.631 -12.127 -13.422 1.00 34.02 N ATOM 139 CA GLU A 10 9.974 -12.077 -14.044 1.00 53.42 C ATOM 140 C GLU A 10 10.838 -10.925 -13.474 1.00 62.32 C ATOM 141 O GLU A 10 12.067 -11.030 -13.395 1.00 15.11 O ATOM 142 CB GLU A 10 9.797 -11.919 -15.581 1.00 33.24 C ATOM 143 CG GLU A 10 8.938 -13.030 -16.215 1.00 33.21 C ATOM 144 CD GLU A 10 8.666 -12.835 -17.716 1.00 15.23 C ATOM 145 OE1 GLU A 10 7.654 -12.186 -18.071 1.00 11.42 O ATOM 146 OE2 GLU A 10 9.452 -13.337 -18.543 1.00 51.04 O ATOM 0 H GLU A 10 7.885 -11.869 -14.068 1.00 34.02 H new ATOM 0 HA GLU A 10 10.502 -13.003 -13.816 1.00 53.42 H new ATOM 0 HB2 GLU A 10 9.339 -10.952 -15.789 1.00 33.24 H new ATOM 0 HB3 GLU A 10 10.779 -11.915 -16.054 1.00 33.24 H new ATOM 0 HG2 GLU A 10 9.437 -13.988 -16.069 1.00 33.21 H new ATOM 0 HG3 GLU A 10 7.985 -13.083 -15.688 1.00 33.21 H new ATOM 153 N ALA A 11 10.171 -9.825 -13.081 1.00 24.13 N ATOM 154 CA ALA A 11 10.827 -8.621 -12.508 1.00 33.11 C ATOM 155 C ALA A 11 10.604 -8.510 -10.975 1.00 71.13 C ATOM 156 O ALA A 11 11.057 -7.541 -10.354 1.00 5.23 O ATOM 157 CB ALA A 11 10.303 -7.368 -13.233 1.00 71.15 C ATOM 0 H ALA A 11 9.157 -9.739 -13.150 1.00 24.13 H new ATOM 0 HA ALA A 11 11.903 -8.708 -12.660 1.00 33.11 H new ATOM 0 HB1 ALA A 11 10.780 -6.481 -12.817 1.00 71.15 H new ATOM 0 HB2 ALA A 11 10.533 -7.440 -14.296 1.00 71.15 H new ATOM 0 HB3 ALA A 11 9.224 -7.295 -13.100 1.00 71.15 H new ATOM 163 N LEU A 12 9.906 -9.518 -10.390 1.00 4.01 N ATOM 164 CA LEU A 12 9.528 -9.574 -8.946 1.00 73.35 C ATOM 165 C LEU A 12 8.767 -8.310 -8.458 1.00 40.04 C ATOM 166 O LEU A 12 8.785 -7.984 -7.276 1.00 22.05 O ATOM 167 CB LEU A 12 10.775 -9.873 -8.062 1.00 73.41 C ATOM 168 CG LEU A 12 11.542 -11.189 -8.403 1.00 33.21 C ATOM 169 CD1 LEU A 12 12.774 -11.372 -7.482 1.00 64.02 C ATOM 170 CD2 LEU A 12 10.606 -12.414 -8.337 1.00 44.23 C ATOM 0 H LEU A 12 9.583 -10.331 -10.915 1.00 4.01 H new ATOM 0 HA LEU A 12 8.823 -10.398 -8.840 1.00 73.35 H new ATOM 0 HB2 LEU A 12 11.468 -9.036 -8.148 1.00 73.41 H new ATOM 0 HB3 LEU A 12 10.458 -9.918 -7.020 1.00 73.41 H new ATOM 0 HG LEU A 12 11.904 -11.106 -9.428 1.00 33.21 H new ATOM 0 HD11 LEU A 12 13.289 -12.297 -7.742 1.00 64.02 H new ATOM 0 HD12 LEU A 12 13.453 -10.530 -7.612 1.00 64.02 H new ATOM 0 HD13 LEU A 12 12.448 -11.419 -6.443 1.00 64.02 H new ATOM 0 HD21 LEU A 12 11.169 -13.315 -8.579 1.00 44.23 H new ATOM 0 HD22 LEU A 12 10.193 -12.503 -7.332 1.00 44.23 H new ATOM 0 HD23 LEU A 12 9.794 -12.290 -9.053 1.00 44.23 H new ATOM 182 N SER A 13 8.056 -7.639 -9.373 1.00 33.43 N ATOM 183 CA SER A 13 7.286 -6.409 -9.076 1.00 14.21 C ATOM 184 C SER A 13 5.776 -6.659 -9.233 1.00 0.25 C ATOM 185 O SER A 13 5.361 -7.541 -9.985 1.00 2.13 O ATOM 186 CB SER A 13 7.743 -5.259 -10.000 1.00 42.41 C ATOM 187 OG SER A 13 7.643 -5.602 -11.374 1.00 50.10 O ATOM 0 H SER A 13 7.994 -7.930 -10.349 1.00 33.43 H new ATOM 0 HA SER A 13 7.476 -6.124 -8.041 1.00 14.21 H new ATOM 0 HB2 SER A 13 7.137 -4.375 -9.803 1.00 42.41 H new ATOM 0 HB3 SER A 13 8.775 -4.997 -9.767 1.00 42.41 H new ATOM 0 HG SER A 13 6.716 -5.493 -11.672 1.00 50.10 H new ATOM 193 N PHE A 14 4.960 -5.867 -8.521 1.00 4.53 N ATOM 194 CA PHE A 14 3.486 -6.009 -8.525 1.00 35.35 C ATOM 195 C PHE A 14 2.814 -4.616 -8.549 1.00 14.22 C ATOM 196 O PHE A 14 2.727 -3.937 -7.535 1.00 64.41 O ATOM 197 CB PHE A 14 3.082 -6.835 -7.276 1.00 1.34 C ATOM 198 CG PHE A 14 1.592 -6.926 -6.982 1.00 31.31 C ATOM 199 CD1 PHE A 14 0.712 -7.492 -7.904 1.00 24.32 C ATOM 200 CD2 PHE A 14 1.075 -6.457 -5.773 1.00 13.02 C ATOM 201 CE1 PHE A 14 -0.633 -7.581 -7.622 1.00 4.31 C ATOM 202 CE2 PHE A 14 -0.269 -6.547 -5.497 1.00 71.02 C ATOM 203 CZ PHE A 14 -1.122 -7.109 -6.418 1.00 30.42 C ATOM 0 H PHE A 14 5.297 -5.110 -7.926 1.00 4.53 H new ATOM 0 HA PHE A 14 3.147 -6.532 -9.419 1.00 35.35 H new ATOM 0 HB2 PHE A 14 3.470 -7.847 -7.395 1.00 1.34 H new ATOM 0 HB3 PHE A 14 3.577 -6.404 -6.406 1.00 1.34 H new ATOM 0 HD1 PHE A 14 1.088 -7.863 -8.846 1.00 24.32 H new ATOM 0 HD2 PHE A 14 1.740 -6.017 -5.044 1.00 13.02 H new ATOM 0 HE1 PHE A 14 -1.307 -8.020 -8.343 1.00 4.31 H new ATOM 0 HE2 PHE A 14 -0.654 -6.177 -4.558 1.00 71.02 H new ATOM 0 HZ PHE A 14 -2.177 -7.182 -6.200 1.00 30.42 H new ATOM 213 N SER A 15 2.300 -4.230 -9.716 1.00 1.32 N ATOM 214 CA SER A 15 1.733 -2.885 -9.971 1.00 55.31 C ATOM 215 C SER A 15 0.189 -2.911 -9.980 1.00 74.12 C ATOM 216 O SER A 15 -0.409 -3.711 -10.683 1.00 13.41 O ATOM 217 CB SER A 15 2.275 -2.361 -11.323 1.00 65.54 C ATOM 218 OG SER A 15 1.568 -1.225 -11.793 1.00 75.30 O ATOM 0 H SER A 15 2.260 -4.844 -10.530 1.00 1.32 H new ATOM 0 HA SER A 15 2.037 -2.217 -9.165 1.00 55.31 H new ATOM 0 HB2 SER A 15 3.329 -2.108 -11.213 1.00 65.54 H new ATOM 0 HB3 SER A 15 2.214 -3.155 -12.067 1.00 65.54 H new ATOM 0 HG SER A 15 1.002 -1.482 -12.551 1.00 75.30 H new ATOM 224 N ILE A 16 -0.458 -2.039 -9.186 1.00 61.54 N ATOM 225 CA ILE A 16 -1.929 -1.831 -9.249 1.00 32.32 C ATOM 226 C ILE A 16 -2.221 -0.373 -9.649 1.00 62.40 C ATOM 227 O ILE A 16 -1.840 0.562 -8.940 1.00 13.11 O ATOM 228 CB ILE A 16 -2.652 -2.152 -7.887 1.00 64.40 C ATOM 229 CG1 ILE A 16 -2.348 -3.609 -7.428 1.00 11.45 C ATOM 230 CG2 ILE A 16 -4.189 -1.918 -8.003 1.00 43.33 C ATOM 231 CD1 ILE A 16 -2.898 -3.966 -6.058 1.00 62.24 C ATOM 0 H ILE A 16 0.011 -1.461 -8.488 1.00 61.54 H new ATOM 0 HA ILE A 16 -2.321 -2.524 -9.993 1.00 32.32 H new ATOM 0 HB ILE A 16 -2.263 -1.470 -7.131 1.00 64.40 H new ATOM 0 HG12 ILE A 16 -2.760 -4.301 -8.162 1.00 11.45 H new ATOM 0 HG13 ILE A 16 -1.268 -3.756 -7.422 1.00 11.45 H new ATOM 0 HG21 ILE A 16 -4.665 -2.147 -7.049 1.00 43.33 H new ATOM 0 HG22 ILE A 16 -4.380 -0.877 -8.263 1.00 43.33 H new ATOM 0 HG23 ILE A 16 -4.598 -2.567 -8.778 1.00 43.33 H new ATOM 0 HD11 ILE A 16 -2.640 -4.998 -5.820 1.00 62.24 H new ATOM 0 HD12 ILE A 16 -2.467 -3.302 -5.309 1.00 62.24 H new ATOM 0 HD13 ILE A 16 -3.982 -3.855 -6.061 1.00 62.24 H new ATOM 243 N VAL A 17 -2.921 -0.205 -10.776 1.00 13.24 N ATOM 244 CA VAL A 17 -3.266 1.106 -11.345 1.00 15.35 C ATOM 245 C VAL A 17 -4.773 1.387 -11.122 1.00 34.30 C ATOM 246 O VAL A 17 -5.623 0.593 -11.541 1.00 64.02 O ATOM 247 CB VAL A 17 -2.940 1.138 -12.884 1.00 51.43 C ATOM 248 CG1 VAL A 17 -3.177 2.542 -13.487 1.00 41.34 C ATOM 249 CG2 VAL A 17 -1.498 0.645 -13.167 1.00 24.44 C ATOM 0 H VAL A 17 -3.270 -0.988 -11.329 1.00 13.24 H new ATOM 0 HA VAL A 17 -2.675 1.874 -10.847 1.00 15.35 H new ATOM 0 HB VAL A 17 -3.629 0.450 -13.374 1.00 51.43 H new ATOM 0 HG11 VAL A 17 -2.941 2.525 -14.551 1.00 41.34 H new ATOM 0 HG12 VAL A 17 -4.221 2.825 -13.351 1.00 41.34 H new ATOM 0 HG13 VAL A 17 -2.536 3.267 -12.985 1.00 41.34 H new ATOM 0 HG21 VAL A 17 -1.305 0.680 -14.239 1.00 24.44 H new ATOM 0 HG22 VAL A 17 -0.786 1.287 -12.649 1.00 24.44 H new ATOM 0 HG23 VAL A 17 -1.387 -0.379 -12.812 1.00 24.44 H new ATOM 259 N ALA A 18 -5.097 2.518 -10.469 1.00 12.30 N ATOM 260 CA ALA A 18 -6.493 2.899 -10.142 1.00 73.03 C ATOM 261 C ALA A 18 -6.703 4.427 -10.240 1.00 22.22 C ATOM 262 O ALA A 18 -5.954 5.198 -9.642 1.00 62.15 O ATOM 263 CB ALA A 18 -6.848 2.403 -8.731 1.00 40.03 C ATOM 0 H ALA A 18 -4.404 3.196 -10.152 1.00 12.30 H new ATOM 0 HA ALA A 18 -7.153 2.429 -10.871 1.00 73.03 H new ATOM 0 HB1 ALA A 18 -7.874 2.684 -8.494 1.00 40.03 H new ATOM 0 HB2 ALA A 18 -6.751 1.318 -8.692 1.00 40.03 H new ATOM 0 HB3 ALA A 18 -6.171 2.854 -8.006 1.00 40.03 H new ATOM 269 N GLU A 19 -7.744 4.853 -10.981 1.00 52.44 N ATOM 270 CA GLU A 19 -8.062 6.288 -11.184 1.00 53.33 C ATOM 271 C GLU A 19 -9.196 6.750 -10.240 1.00 31.34 C ATOM 272 O GLU A 19 -10.277 6.155 -10.213 1.00 65.04 O ATOM 273 CB GLU A 19 -8.467 6.516 -12.662 1.00 71.21 C ATOM 274 CG GLU A 19 -7.408 6.065 -13.690 1.00 74.42 C ATOM 275 CD GLU A 19 -7.879 6.208 -15.152 1.00 33.45 C ATOM 276 OE1 GLU A 19 -8.846 5.523 -15.536 1.00 44.43 O ATOM 277 OE2 GLU A 19 -7.280 6.989 -15.923 1.00 75.44 O ATOM 0 H GLU A 19 -8.388 4.220 -11.455 1.00 52.44 H new ATOM 0 HA GLU A 19 -7.177 6.879 -10.950 1.00 53.33 H new ATOM 0 HB2 GLU A 19 -9.397 5.982 -12.858 1.00 71.21 H new ATOM 0 HB3 GLU A 19 -8.672 7.576 -12.811 1.00 71.21 H new ATOM 0 HG2 GLU A 19 -6.501 6.652 -13.549 1.00 74.42 H new ATOM 0 HG3 GLU A 19 -7.147 5.024 -13.500 1.00 74.42 H new ATOM 284 N PHE A 20 -8.943 7.827 -9.480 1.00 62.14 N ATOM 285 CA PHE A 20 -9.923 8.420 -8.541 1.00 14.42 C ATOM 286 C PHE A 20 -10.262 9.861 -8.972 1.00 60.11 C ATOM 287 O PHE A 20 -9.360 10.631 -9.307 1.00 75.11 O ATOM 288 CB PHE A 20 -9.361 8.391 -7.091 1.00 74.43 C ATOM 289 CG PHE A 20 -9.007 6.981 -6.627 1.00 43.11 C ATOM 290 CD1 PHE A 20 -10.011 6.070 -6.293 1.00 41.24 C ATOM 291 CD2 PHE A 20 -7.678 6.556 -6.557 1.00 33.21 C ATOM 292 CE1 PHE A 20 -9.699 4.784 -5.905 1.00 61.25 C ATOM 293 CE2 PHE A 20 -7.367 5.273 -6.163 1.00 0.24 C ATOM 294 CZ PHE A 20 -8.378 4.386 -5.840 1.00 33.14 C ATOM 0 H PHE A 20 -8.049 8.318 -9.496 1.00 62.14 H new ATOM 0 HA PHE A 20 -10.840 7.831 -8.562 1.00 14.42 H new ATOM 0 HB2 PHE A 20 -8.473 9.021 -7.037 1.00 74.43 H new ATOM 0 HB3 PHE A 20 -10.098 8.819 -6.411 1.00 74.43 H new ATOM 0 HD1 PHE A 20 -11.046 6.377 -6.339 1.00 41.24 H new ATOM 0 HD2 PHE A 20 -6.885 7.242 -6.815 1.00 33.21 H new ATOM 0 HE1 PHE A 20 -10.486 4.089 -5.652 1.00 61.25 H new ATOM 0 HE2 PHE A 20 -6.335 4.960 -6.106 1.00 0.24 H new ATOM 0 HZ PHE A 20 -8.134 3.379 -5.536 1.00 33.14 H new ATOM 304 N ASP A 21 -11.564 10.210 -8.963 1.00 44.10 N ATOM 305 CA ASP A 21 -12.049 11.533 -9.401 1.00 1.54 C ATOM 306 C ASP A 21 -11.735 12.612 -8.327 1.00 14.33 C ATOM 307 O ASP A 21 -12.560 12.901 -7.447 1.00 42.14 O ATOM 308 CB ASP A 21 -13.565 11.454 -9.713 1.00 23.23 C ATOM 309 CG ASP A 21 -14.120 12.744 -10.341 1.00 43.01 C ATOM 310 OD1 ASP A 21 -13.971 12.932 -11.569 1.00 4.41 O ATOM 311 OD2 ASP A 21 -14.711 13.575 -9.618 1.00 0.41 O ATOM 0 H ASP A 21 -12.307 9.584 -8.653 1.00 44.10 H new ATOM 0 HA ASP A 21 -11.530 11.827 -10.313 1.00 1.54 H new ATOM 0 HB2 ASP A 21 -13.747 10.620 -10.390 1.00 23.23 H new ATOM 0 HB3 ASP A 21 -14.109 11.242 -8.792 1.00 23.23 H new ATOM 316 N ALA A 22 -10.516 13.166 -8.414 1.00 74.04 N ATOM 317 CA ALA A 22 -9.961 14.131 -7.440 1.00 44.15 C ATOM 318 C ALA A 22 -8.627 14.707 -7.977 1.00 24.25 C ATOM 319 O ALA A 22 -8.239 14.435 -9.115 1.00 22.11 O ATOM 320 CB ALA A 22 -9.748 13.438 -6.075 1.00 32.35 C ATOM 0 H ALA A 22 -9.872 12.955 -9.177 1.00 74.04 H new ATOM 0 HA ALA A 22 -10.664 14.953 -7.303 1.00 44.15 H new ATOM 0 HB1 ALA A 22 -9.339 14.155 -5.363 1.00 32.35 H new ATOM 0 HB2 ALA A 22 -10.702 13.063 -5.705 1.00 32.35 H new ATOM 0 HB3 ALA A 22 -9.052 12.607 -6.193 1.00 32.35 H new ATOM 326 N ASP A 23 -7.927 15.507 -7.157 1.00 64.10 N ATOM 327 CA ASP A 23 -6.572 16.000 -7.497 1.00 52.44 C ATOM 328 C ASP A 23 -5.491 15.099 -6.864 1.00 31.33 C ATOM 329 O ASP A 23 -5.791 14.224 -6.033 1.00 55.55 O ATOM 330 CB ASP A 23 -6.387 17.470 -7.048 1.00 22.21 C ATOM 331 CG ASP A 23 -6.607 17.664 -5.540 1.00 34.41 C ATOM 332 OD1 ASP A 23 -7.770 17.842 -5.121 1.00 54.23 O ATOM 333 OD2 ASP A 23 -5.622 17.617 -4.768 1.00 2.14 O ATOM 0 H ASP A 23 -8.272 15.829 -6.253 1.00 64.10 H new ATOM 0 HA ASP A 23 -6.462 15.962 -8.581 1.00 52.44 H new ATOM 0 HB2 ASP A 23 -5.382 17.801 -7.309 1.00 22.21 H new ATOM 0 HB3 ASP A 23 -7.084 18.103 -7.597 1.00 22.21 H new ATOM 338 N VAL A 24 -4.235 15.352 -7.260 1.00 55.41 N ATOM 339 CA VAL A 24 -3.063 14.557 -6.848 1.00 54.22 C ATOM 340 C VAL A 24 -2.833 14.602 -5.324 1.00 21.43 C ATOM 341 O VAL A 24 -2.564 13.574 -4.708 1.00 2.51 O ATOM 342 CB VAL A 24 -1.782 15.041 -7.624 1.00 0.10 C ATOM 343 CG1 VAL A 24 -0.498 14.320 -7.159 1.00 15.21 C ATOM 344 CG2 VAL A 24 -1.973 14.858 -9.142 1.00 23.22 C ATOM 0 H VAL A 24 -3.999 16.124 -7.883 1.00 55.41 H new ATOM 0 HA VAL A 24 -3.263 13.517 -7.105 1.00 54.22 H new ATOM 0 HB VAL A 24 -1.656 16.100 -7.398 1.00 0.10 H new ATOM 0 HG11 VAL A 24 0.354 14.692 -7.727 1.00 15.21 H new ATOM 0 HG12 VAL A 24 -0.338 14.510 -6.098 1.00 15.21 H new ATOM 0 HG13 VAL A 24 -0.603 13.248 -7.323 1.00 15.21 H new ATOM 0 HG21 VAL A 24 -1.079 15.197 -9.665 1.00 23.22 H new ATOM 0 HG22 VAL A 24 -2.145 13.804 -9.363 1.00 23.22 H new ATOM 0 HG23 VAL A 24 -2.831 15.443 -9.474 1.00 23.22 H new ATOM 354 N LYS A 25 -2.987 15.790 -4.725 1.00 14.24 N ATOM 355 CA LYS A 25 -2.760 15.993 -3.275 1.00 12.02 C ATOM 356 C LYS A 25 -3.872 15.345 -2.412 1.00 33.44 C ATOM 357 O LYS A 25 -3.628 14.958 -1.268 1.00 75.14 O ATOM 358 CB LYS A 25 -2.628 17.497 -2.946 1.00 44.13 C ATOM 359 CG LYS A 25 -1.487 18.209 -3.707 1.00 53.42 C ATOM 360 CD LYS A 25 -1.165 19.612 -3.154 1.00 72.22 C ATOM 361 CE LYS A 25 -0.679 19.557 -1.696 1.00 52.22 C ATOM 362 NZ LYS A 25 -0.258 20.887 -1.193 1.00 1.40 N ATOM 0 H LYS A 25 -3.270 16.635 -5.221 1.00 14.24 H new ATOM 0 HA LYS A 25 -1.823 15.494 -3.026 1.00 12.02 H new ATOM 0 HB2 LYS A 25 -3.570 17.993 -3.178 1.00 44.13 H new ATOM 0 HB3 LYS A 25 -2.463 17.611 -1.875 1.00 44.13 H new ATOM 0 HG2 LYS A 25 -0.589 17.593 -3.660 1.00 53.42 H new ATOM 0 HG3 LYS A 25 -1.760 18.295 -4.759 1.00 53.42 H new ATOM 0 HD2 LYS A 25 -0.400 20.080 -3.774 1.00 72.22 H new ATOM 0 HD3 LYS A 25 -2.054 20.240 -3.217 1.00 72.22 H new ATOM 0 HE2 LYS A 25 -1.477 19.168 -1.064 1.00 52.22 H new ATOM 0 HE3 LYS A 25 0.156 18.861 -1.620 1.00 52.22 H new ATOM 0 HZ1 LYS A 25 0.061 20.800 -0.207 1.00 1.40 H new ATOM 0 HZ2 LYS A 25 0.521 21.249 -1.779 1.00 1.40 H new ATOM 0 HZ3 LYS A 25 -1.061 21.546 -1.240 1.00 1.40 H new ATOM 376 N ARG A 26 -5.083 15.248 -2.976 1.00 42.42 N ATOM 377 CA ARG A 26 -6.240 14.581 -2.335 1.00 44.34 C ATOM 378 C ARG A 26 -5.982 13.054 -2.187 1.00 21.23 C ATOM 379 O ARG A 26 -6.237 12.463 -1.133 1.00 30.41 O ATOM 380 CB ARG A 26 -7.507 14.855 -3.184 1.00 2.33 C ATOM 381 CG ARG A 26 -8.824 14.231 -2.674 1.00 52.11 C ATOM 382 CD ARG A 26 -9.290 14.781 -1.317 1.00 73.54 C ATOM 383 NE ARG A 26 -10.640 14.297 -0.982 1.00 53.13 N ATOM 384 CZ ARG A 26 -11.242 14.419 0.180 1.00 52.32 C ATOM 385 NH1 ARG A 26 -10.633 14.902 1.217 1.00 2.42 N ATOM 386 NH2 ARG A 26 -12.463 14.028 0.298 1.00 24.34 N ATOM 0 H ARG A 26 -5.296 15.631 -3.897 1.00 42.42 H new ATOM 0 HA ARG A 26 -6.386 14.982 -1.332 1.00 44.34 H new ATOM 0 HB2 ARG A 26 -7.645 15.934 -3.253 1.00 2.33 H new ATOM 0 HB3 ARG A 26 -7.326 14.491 -4.195 1.00 2.33 H new ATOM 0 HG2 ARG A 26 -9.606 14.404 -3.413 1.00 52.11 H new ATOM 0 HG3 ARG A 26 -8.695 13.152 -2.593 1.00 52.11 H new ATOM 0 HD2 ARG A 26 -8.589 14.479 -0.539 1.00 73.54 H new ATOM 0 HD3 ARG A 26 -9.287 15.871 -1.343 1.00 73.54 H new ATOM 0 HE ARG A 26 -11.157 13.822 -1.722 1.00 53.13 H new ATOM 0 HH11 ARG A 26 -9.660 15.200 1.144 1.00 2.42 H new ATOM 0 HH12 ARG A 26 -11.127 14.985 2.106 1.00 2.42 H new ATOM 0 HH21 ARG A 26 -12.951 13.630 -0.504 1.00 24.34 H new ATOM 0 HH22 ARG A 26 -12.943 14.117 1.194 1.00 24.34 H new ATOM 400 N VAL A 27 -5.457 12.445 -3.268 1.00 41.23 N ATOM 401 CA VAL A 27 -5.058 11.015 -3.293 1.00 14.45 C ATOM 402 C VAL A 27 -3.727 10.791 -2.510 1.00 53.11 C ATOM 403 O VAL A 27 -3.470 9.709 -2.004 1.00 60.35 O ATOM 404 CB VAL A 27 -4.945 10.479 -4.777 1.00 44.23 C ATOM 405 CG1 VAL A 27 -4.714 8.940 -4.822 1.00 14.51 C ATOM 406 CG2 VAL A 27 -6.197 10.869 -5.610 1.00 61.33 C ATOM 0 H VAL A 27 -5.295 12.927 -4.152 1.00 41.23 H new ATOM 0 HA VAL A 27 -5.839 10.442 -2.793 1.00 14.45 H new ATOM 0 HB VAL A 27 -4.073 10.956 -5.223 1.00 44.23 H new ATOM 0 HG11 VAL A 27 -4.642 8.613 -5.859 1.00 14.51 H new ATOM 0 HG12 VAL A 27 -3.789 8.695 -4.300 1.00 14.51 H new ATOM 0 HG13 VAL A 27 -5.549 8.432 -4.339 1.00 14.51 H new ATOM 0 HG21 VAL A 27 -6.092 10.487 -6.626 1.00 61.33 H new ATOM 0 HG22 VAL A 27 -7.087 10.439 -5.151 1.00 61.33 H new ATOM 0 HG23 VAL A 27 -6.292 11.955 -5.638 1.00 61.33 H new ATOM 416 N TRP A 28 -2.863 11.819 -2.462 1.00 35.12 N ATOM 417 CA TRP A 28 -1.623 11.811 -1.637 1.00 11.42 C ATOM 418 C TRP A 28 -1.938 11.818 -0.123 1.00 11.44 C ATOM 419 O TRP A 28 -1.216 11.206 0.672 1.00 34.43 O ATOM 420 CB TRP A 28 -0.743 13.036 -1.998 1.00 2.02 C ATOM 421 CG TRP A 28 0.573 13.134 -1.248 1.00 64.14 C ATOM 422 CD1 TRP A 28 0.882 13.975 -0.208 1.00 23.24 C ATOM 423 CD2 TRP A 28 1.753 12.356 -1.490 1.00 33.51 C ATOM 424 NE1 TRP A 28 2.173 13.767 0.197 1.00 61.54 N ATOM 425 CE2 TRP A 28 2.731 12.784 -0.577 1.00 63.13 C ATOM 426 CE3 TRP A 28 2.077 11.345 -2.401 1.00 4.15 C ATOM 427 CZ2 TRP A 28 4.007 12.231 -0.547 1.00 52.33 C ATOM 428 CZ3 TRP A 28 3.341 10.804 -2.370 1.00 32.01 C ATOM 429 CH2 TRP A 28 4.294 11.248 -1.449 1.00 70.41 C ATOM 0 H TRP A 28 -2.996 12.682 -2.990 1.00 35.12 H new ATOM 0 HA TRP A 28 -1.083 10.890 -1.858 1.00 11.42 H new ATOM 0 HB2 TRP A 28 -0.532 13.008 -3.067 1.00 2.02 H new ATOM 0 HB3 TRP A 28 -1.318 13.943 -1.810 1.00 2.02 H new ATOM 0 HD1 TRP A 28 0.205 14.696 0.227 1.00 23.24 H new ATOM 0 HE1 TRP A 28 2.644 14.264 0.953 1.00 61.54 H new ATOM 0 HE3 TRP A 28 1.347 10.995 -3.116 1.00 4.15 H new ATOM 0 HZ2 TRP A 28 4.745 12.568 0.166 1.00 52.33 H new ATOM 0 HZ3 TRP A 28 3.602 10.023 -3.069 1.00 32.01 H new ATOM 0 HH2 TRP A 28 5.278 10.804 -1.451 1.00 70.41 H new ATOM 440 N ALA A 29 -3.018 12.523 0.257 1.00 35.32 N ATOM 441 CA ALA A 29 -3.414 12.716 1.672 1.00 25.11 C ATOM 442 C ALA A 29 -3.759 11.390 2.396 1.00 70.51 C ATOM 443 O ALA A 29 -3.622 11.298 3.610 1.00 11.30 O ATOM 444 CB ALA A 29 -4.592 13.692 1.748 1.00 1.14 C ATOM 0 H ALA A 29 -3.645 12.978 -0.406 1.00 35.32 H new ATOM 0 HA ALA A 29 -2.551 13.131 2.193 1.00 25.11 H new ATOM 0 HB1 ALA A 29 -4.882 13.832 2.789 1.00 1.14 H new ATOM 0 HB2 ALA A 29 -4.298 14.651 1.321 1.00 1.14 H new ATOM 0 HB3 ALA A 29 -5.436 13.288 1.188 1.00 1.14 H new ATOM 450 N ILE A 30 -4.200 10.366 1.640 1.00 11.01 N ATOM 451 CA ILE A 30 -4.512 9.024 2.208 1.00 54.15 C ATOM 452 C ILE A 30 -3.219 8.261 2.628 1.00 2.03 C ATOM 453 O ILE A 30 -3.290 7.257 3.319 1.00 32.22 O ATOM 454 CB ILE A 30 -5.338 8.147 1.195 1.00 72.15 C ATOM 455 CG1 ILE A 30 -4.429 7.660 0.027 1.00 74.30 C ATOM 456 CG2 ILE A 30 -6.573 8.921 0.673 1.00 31.14 C ATOM 457 CD1 ILE A 30 -5.121 6.943 -1.105 1.00 12.32 C ATOM 0 H ILE A 30 -4.351 10.435 0.634 1.00 11.01 H new ATOM 0 HA ILE A 30 -5.118 9.196 3.098 1.00 54.15 H new ATOM 0 HB ILE A 30 -5.706 7.265 1.720 1.00 72.15 H new ATOM 0 HG12 ILE A 30 -3.908 8.525 -0.384 1.00 74.30 H new ATOM 0 HG13 ILE A 30 -3.669 6.996 0.439 1.00 74.30 H new ATOM 0 HG21 ILE A 30 -7.127 8.294 -0.025 1.00 31.14 H new ATOM 0 HG22 ILE A 30 -7.217 9.187 1.511 1.00 31.14 H new ATOM 0 HG23 ILE A 30 -6.246 9.828 0.165 1.00 31.14 H new ATOM 0 HD11 ILE A 30 -4.386 6.653 -1.856 1.00 12.32 H new ATOM 0 HD12 ILE A 30 -5.618 6.052 -0.721 1.00 12.32 H new ATOM 0 HD13 ILE A 30 -5.860 7.605 -1.557 1.00 12.32 H new ATOM 469 N TRP A 31 -2.056 8.731 2.136 1.00 10.15 N ATOM 470 CA TRP A 31 -0.718 8.191 2.486 1.00 45.43 C ATOM 471 C TRP A 31 -0.030 9.056 3.557 1.00 24.23 C ATOM 472 O TRP A 31 0.607 8.535 4.479 1.00 1.24 O ATOM 473 CB TRP A 31 0.170 8.140 1.211 1.00 23.32 C ATOM 474 CG TRP A 31 -0.352 7.186 0.164 1.00 65.14 C ATOM 475 CD1 TRP A 31 -1.032 7.487 -0.989 1.00 22.14 C ATOM 476 CD2 TRP A 31 -0.237 5.760 0.200 1.00 53.11 C ATOM 477 NE1 TRP A 31 -1.360 6.330 -1.650 1.00 52.42 N ATOM 478 CE2 TRP A 31 -0.875 5.260 -0.941 1.00 4.45 C ATOM 479 CE3 TRP A 31 0.348 4.861 1.101 1.00 33.32 C ATOM 480 CZ2 TRP A 31 -0.947 3.899 -1.209 1.00 31.21 C ATOM 481 CZ3 TRP A 31 0.278 3.511 0.834 1.00 41.23 C ATOM 482 CH2 TRP A 31 -0.364 3.038 -0.313 1.00 42.45 C ATOM 0 H TRP A 31 -2.014 9.507 1.475 1.00 10.15 H new ATOM 0 HA TRP A 31 -0.850 7.187 2.891 1.00 45.43 H new ATOM 0 HB2 TRP A 31 0.237 9.140 0.782 1.00 23.32 H new ATOM 0 HB3 TRP A 31 1.181 7.845 1.491 1.00 23.32 H new ATOM 0 HD1 TRP A 31 -1.273 8.484 -1.326 1.00 22.14 H new ATOM 0 HE1 TRP A 31 -1.880 6.274 -2.526 1.00 52.42 H new ATOM 0 HE3 TRP A 31 0.845 5.220 1.990 1.00 33.32 H new ATOM 0 HZ2 TRP A 31 -1.445 3.530 -2.093 1.00 31.21 H new ATOM 0 HZ3 TRP A 31 0.726 2.809 1.521 1.00 41.23 H new ATOM 0 HH2 TRP A 31 -0.402 1.975 -0.498 1.00 42.45 H new ATOM 493 N GLU A 32 -0.154 10.385 3.395 1.00 13.43 N ATOM 494 CA GLU A 32 0.489 11.379 4.272 1.00 14.54 C ATOM 495 C GLU A 32 -0.174 11.432 5.671 1.00 53.33 C ATOM 496 O GLU A 32 0.506 11.510 6.702 1.00 55.42 O ATOM 497 CB GLU A 32 0.443 12.769 3.582 1.00 71.22 C ATOM 498 CG GLU A 32 1.153 13.887 4.364 1.00 63.12 C ATOM 499 CD GLU A 32 1.174 15.224 3.610 1.00 11.21 C ATOM 500 OE1 GLU A 32 2.100 15.451 2.798 1.00 2.14 O ATOM 501 OE2 GLU A 32 0.257 16.049 3.816 1.00 63.34 O ATOM 0 H GLU A 32 -0.707 10.802 2.646 1.00 13.43 H new ATOM 0 HA GLU A 32 1.526 11.083 4.430 1.00 14.54 H new ATOM 0 HB2 GLU A 32 0.898 12.687 2.595 1.00 71.22 H new ATOM 0 HB3 GLU A 32 -0.599 13.052 3.431 1.00 71.22 H new ATOM 0 HG2 GLU A 32 0.655 14.025 5.324 1.00 63.12 H new ATOM 0 HG3 GLU A 32 2.177 13.580 4.578 1.00 63.12 H new ATOM 508 N ASP A 33 -1.515 11.393 5.679 1.00 12.23 N ATOM 509 CA ASP A 33 -2.324 11.473 6.905 1.00 34.13 C ATOM 510 C ASP A 33 -2.603 10.047 7.474 1.00 33.31 C ATOM 511 O ASP A 33 -3.235 9.224 6.795 1.00 43.01 O ATOM 512 CB ASP A 33 -3.646 12.220 6.597 1.00 4.34 C ATOM 513 CG ASP A 33 -4.419 12.617 7.858 1.00 25.04 C ATOM 514 OD1 ASP A 33 -5.077 11.750 8.470 1.00 41.52 O ATOM 515 OD2 ASP A 33 -4.372 13.803 8.244 1.00 1.11 O ATOM 0 H ASP A 33 -2.072 11.304 4.829 1.00 12.23 H new ATOM 0 HA ASP A 33 -1.774 12.027 7.666 1.00 34.13 H new ATOM 0 HB2 ASP A 33 -3.424 13.116 6.017 1.00 4.34 H new ATOM 0 HB3 ASP A 33 -4.278 11.586 5.975 1.00 4.34 H new ATOM 520 N PRO A 34 -2.130 9.738 8.735 1.00 22.42 N ATOM 521 CA PRO A 34 -2.329 8.405 9.381 1.00 34.42 C ATOM 522 C PRO A 34 -3.815 8.013 9.583 1.00 42.12 C ATOM 523 O PRO A 34 -4.166 6.846 9.407 1.00 32.33 O ATOM 524 CB PRO A 34 -1.603 8.546 10.750 1.00 53.43 C ATOM 525 CG PRO A 34 -0.639 9.675 10.546 1.00 1.40 C ATOM 526 CD PRO A 34 -1.330 10.638 9.612 1.00 15.40 C ATOM 0 HA PRO A 34 -1.937 7.608 8.750 1.00 34.42 H new ATOM 0 HB2 PRO A 34 -2.307 8.765 11.553 1.00 53.43 H new ATOM 0 HB3 PRO A 34 -1.086 7.626 11.022 1.00 53.43 H new ATOM 0 HG2 PRO A 34 -0.393 10.156 11.493 1.00 1.40 H new ATOM 0 HG3 PRO A 34 0.297 9.318 10.118 1.00 1.40 H new ATOM 0 HD2 PRO A 34 -1.963 11.341 10.153 1.00 15.40 H new ATOM 0 HD3 PRO A 34 -0.615 11.228 9.039 1.00 15.40 H new ATOM 534 N ARG A 35 -4.675 8.999 9.945 1.00 25.15 N ATOM 535 CA ARG A 35 -6.128 8.760 10.183 1.00 42.42 C ATOM 536 C ARG A 35 -6.847 8.321 8.889 1.00 11.44 C ATOM 537 O ARG A 35 -7.723 7.445 8.915 1.00 2.25 O ATOM 538 CB ARG A 35 -6.830 10.024 10.753 1.00 52.21 C ATOM 539 CG ARG A 35 -6.308 10.538 12.115 1.00 40.44 C ATOM 540 CD ARG A 35 -6.485 9.528 13.280 1.00 64.05 C ATOM 541 NE ARG A 35 -5.444 8.485 13.292 1.00 41.11 N ATOM 542 CZ ARG A 35 -4.298 8.562 13.938 1.00 24.43 C ATOM 543 NH1 ARG A 35 -4.035 9.554 14.733 1.00 63.02 N ATOM 544 NH2 ARG A 35 -3.432 7.618 13.812 1.00 10.14 N ATOM 0 H ARG A 35 -4.390 9.969 10.079 1.00 25.15 H new ATOM 0 HA ARG A 35 -6.194 7.957 10.918 1.00 42.42 H new ATOM 0 HB2 ARG A 35 -6.734 10.828 10.023 1.00 52.21 H new ATOM 0 HB3 ARG A 35 -7.894 9.810 10.852 1.00 52.21 H new ATOM 0 HG2 ARG A 35 -5.250 10.784 12.018 1.00 40.44 H new ATOM 0 HG3 ARG A 35 -6.828 11.462 12.367 1.00 40.44 H new ATOM 0 HD2 ARG A 35 -6.465 10.066 14.228 1.00 64.05 H new ATOM 0 HD3 ARG A 35 -7.465 9.057 13.201 1.00 64.05 H new ATOM 0 HE ARG A 35 -5.625 7.635 12.757 1.00 41.11 H new ATOM 0 HH11 ARG A 35 -4.722 10.295 14.868 1.00 63.02 H new ATOM 0 HH12 ARG A 35 -3.141 9.592 15.222 1.00 63.02 H new ATOM 0 HH21 ARG A 35 -3.635 6.816 13.215 1.00 10.14 H new ATOM 0 HH22 ARG A 35 -2.543 7.672 14.309 1.00 10.14 H new ATOM 558 N GLN A 36 -6.467 8.953 7.767 1.00 10.30 N ATOM 559 CA GLN A 36 -6.993 8.603 6.433 1.00 35.54 C ATOM 560 C GLN A 36 -6.445 7.241 5.955 1.00 62.12 C ATOM 561 O GLN A 36 -7.178 6.477 5.341 1.00 31.31 O ATOM 562 CB GLN A 36 -6.656 9.709 5.397 1.00 43.34 C ATOM 563 CG GLN A 36 -7.256 11.091 5.726 1.00 44.42 C ATOM 564 CD GLN A 36 -7.006 12.141 4.640 1.00 50.40 C ATOM 565 OE1 GLN A 36 -6.921 11.829 3.456 1.00 4.14 O ATOM 566 NE2 GLN A 36 -6.878 13.392 5.035 1.00 53.14 N ATOM 0 H GLN A 36 -5.791 9.717 7.756 1.00 10.30 H new ATOM 0 HA GLN A 36 -8.077 8.524 6.518 1.00 35.54 H new ATOM 0 HB2 GLN A 36 -5.573 9.804 5.324 1.00 43.34 H new ATOM 0 HB3 GLN A 36 -7.015 9.394 4.417 1.00 43.34 H new ATOM 0 HG2 GLN A 36 -8.330 10.985 5.877 1.00 44.42 H new ATOM 0 HG3 GLN A 36 -6.835 11.446 6.667 1.00 44.42 H new ATOM 0 HE21 GLN A 36 -6.953 13.624 6.025 1.00 53.14 H new ATOM 0 HE22 GLN A 36 -6.704 14.128 4.350 1.00 53.14 H new ATOM 575 N LEU A 37 -5.164 6.950 6.263 1.00 71.34 N ATOM 576 CA LEU A 37 -4.487 5.706 5.817 1.00 12.24 C ATOM 577 C LEU A 37 -5.095 4.445 6.480 1.00 41.40 C ATOM 578 O LEU A 37 -5.530 3.535 5.782 1.00 32.12 O ATOM 579 CB LEU A 37 -2.964 5.808 6.113 1.00 53.12 C ATOM 580 CG LEU A 37 -2.075 4.568 5.737 1.00 25.41 C ATOM 581 CD1 LEU A 37 -2.164 4.190 4.241 1.00 55.23 C ATOM 582 CD2 LEU A 37 -0.615 4.818 6.140 1.00 21.44 C ATOM 0 H LEU A 37 -4.571 7.562 6.823 1.00 71.34 H new ATOM 0 HA LEU A 37 -4.640 5.602 4.743 1.00 12.24 H new ATOM 0 HB2 LEU A 37 -2.574 6.677 5.582 1.00 53.12 H new ATOM 0 HB3 LEU A 37 -2.839 6.003 7.178 1.00 53.12 H new ATOM 0 HG LEU A 37 -2.468 3.719 6.296 1.00 25.41 H new ATOM 0 HD11 LEU A 37 -1.528 3.327 4.045 1.00 55.23 H new ATOM 0 HD12 LEU A 37 -3.196 3.945 3.988 1.00 55.23 H new ATOM 0 HD13 LEU A 37 -1.831 5.031 3.633 1.00 55.23 H new ATOM 0 HD21 LEU A 37 -0.010 3.951 5.874 1.00 21.44 H new ATOM 0 HD22 LEU A 37 -0.239 5.697 5.617 1.00 21.44 H new ATOM 0 HD23 LEU A 37 -0.558 4.984 7.216 1.00 21.44 H new ATOM 594 N GLU A 38 -5.186 4.449 7.827 1.00 5.51 N ATOM 595 CA GLU A 38 -5.718 3.303 8.630 1.00 64.52 C ATOM 596 C GLU A 38 -7.202 2.992 8.307 1.00 53.52 C ATOM 597 O GLU A 38 -7.672 1.865 8.508 1.00 13.11 O ATOM 598 CB GLU A 38 -5.558 3.613 10.140 1.00 40.31 C ATOM 599 CG GLU A 38 -6.326 4.865 10.620 1.00 32.22 C ATOM 600 CD GLU A 38 -5.960 5.305 12.040 1.00 25.52 C ATOM 601 OE1 GLU A 38 -4.760 5.557 12.291 1.00 34.35 O ATOM 602 OE2 GLU A 38 -6.853 5.420 12.909 1.00 54.55 O ATOM 0 H GLU A 38 -4.895 5.242 8.398 1.00 5.51 H new ATOM 0 HA GLU A 38 -5.141 2.417 8.364 1.00 64.52 H new ATOM 0 HB2 GLU A 38 -5.899 2.751 10.713 1.00 40.31 H new ATOM 0 HB3 GLU A 38 -4.499 3.745 10.361 1.00 40.31 H new ATOM 0 HG2 GLU A 38 -6.129 5.687 9.932 1.00 32.22 H new ATOM 0 HG3 GLU A 38 -7.396 4.663 10.576 1.00 32.22 H new ATOM 609 N ARG A 39 -7.910 4.020 7.807 1.00 12.11 N ATOM 610 CA ARG A 39 -9.321 3.944 7.392 1.00 23.02 C ATOM 611 C ARG A 39 -9.551 2.926 6.243 1.00 51.44 C ATOM 612 O ARG A 39 -10.567 2.218 6.225 1.00 53.13 O ATOM 613 CB ARG A 39 -9.778 5.379 6.990 1.00 43.02 C ATOM 614 CG ARG A 39 -11.092 5.469 6.191 1.00 54.11 C ATOM 615 CD ARG A 39 -11.604 6.912 6.036 1.00 75.31 C ATOM 616 NE ARG A 39 -11.920 7.533 7.333 1.00 2.32 N ATOM 617 CZ ARG A 39 -12.610 8.639 7.505 1.00 51.41 C ATOM 618 NH1 ARG A 39 -13.126 9.278 6.500 1.00 3.31 N ATOM 619 NH2 ARG A 39 -12.805 9.086 8.700 1.00 70.42 N ATOM 0 H ARG A 39 -7.507 4.948 7.677 1.00 12.11 H new ATOM 0 HA ARG A 39 -9.921 3.576 8.224 1.00 23.02 H new ATOM 0 HB2 ARG A 39 -9.886 5.972 7.898 1.00 43.02 H new ATOM 0 HB3 ARG A 39 -8.985 5.840 6.401 1.00 43.02 H new ATOM 0 HG2 ARG A 39 -10.940 5.035 5.203 1.00 54.11 H new ATOM 0 HG3 ARG A 39 -11.855 4.870 6.688 1.00 54.11 H new ATOM 0 HD2 ARG A 39 -10.851 7.510 5.523 1.00 75.31 H new ATOM 0 HD3 ARG A 39 -12.495 6.914 5.408 1.00 75.31 H new ATOM 0 HE ARG A 39 -11.574 7.065 8.170 1.00 2.32 H new ATOM 0 HH11 ARG A 39 -13.000 8.924 5.552 1.00 3.31 H new ATOM 0 HH12 ARG A 39 -13.657 10.134 6.659 1.00 3.31 H new ATOM 0 HH21 ARG A 39 -12.425 8.582 9.501 1.00 70.42 H new ATOM 0 HH22 ARG A 39 -13.339 9.943 8.843 1.00 70.42 H new ATOM 633 N TRP A 40 -8.601 2.851 5.292 1.00 45.41 N ATOM 634 CA TRP A 40 -8.712 1.936 4.129 1.00 33.24 C ATOM 635 C TRP A 40 -7.611 0.858 4.112 1.00 1.23 C ATOM 636 O TRP A 40 -7.718 -0.090 3.347 1.00 22.14 O ATOM 637 CB TRP A 40 -8.705 2.731 2.797 1.00 0.31 C ATOM 638 CG TRP A 40 -7.427 3.498 2.530 1.00 53.32 C ATOM 639 CD1 TRP A 40 -7.115 4.746 2.974 1.00 34.44 C ATOM 640 CD2 TRP A 40 -6.301 3.064 1.752 1.00 11.22 C ATOM 641 NE1 TRP A 40 -5.857 5.101 2.550 1.00 44.33 N ATOM 642 CE2 TRP A 40 -5.348 4.092 1.784 1.00 41.12 C ATOM 643 CE3 TRP A 40 -6.014 1.903 1.035 1.00 72.12 C ATOM 644 CZ2 TRP A 40 -4.127 3.992 1.124 1.00 4.31 C ATOM 645 CZ3 TRP A 40 -4.811 1.804 0.376 1.00 50.33 C ATOM 646 CH2 TRP A 40 -3.881 2.845 0.424 1.00 11.43 C ATOM 0 H TRP A 40 -7.748 3.410 5.302 1.00 45.41 H new ATOM 0 HA TRP A 40 -9.666 1.420 4.232 1.00 33.24 H new ATOM 0 HB2 TRP A 40 -8.876 2.037 1.974 1.00 0.31 H new ATOM 0 HB3 TRP A 40 -9.540 3.432 2.802 1.00 0.31 H new ATOM 0 HD1 TRP A 40 -7.763 5.368 3.574 1.00 34.44 H new ATOM 0 HE1 TRP A 40 -5.381 5.976 2.771 1.00 44.33 H new ATOM 0 HE3 TRP A 40 -6.727 1.092 0.998 1.00 72.12 H new ATOM 0 HZ2 TRP A 40 -3.401 4.791 1.164 1.00 4.31 H new ATOM 0 HZ3 TRP A 40 -4.583 0.910 -0.186 1.00 50.33 H new ATOM 0 HH2 TRP A 40 -2.945 2.741 -0.105 1.00 11.43 H new ATOM 657 N TRP A 41 -6.556 1.016 4.940 1.00 32.03 N ATOM 658 CA TRP A 41 -5.369 0.123 4.901 1.00 54.10 C ATOM 659 C TRP A 41 -5.734 -1.301 5.388 1.00 0.34 C ATOM 660 O TRP A 41 -5.950 -1.528 6.582 1.00 10.42 O ATOM 661 CB TRP A 41 -4.195 0.723 5.723 1.00 51.52 C ATOM 662 CG TRP A 41 -2.847 0.108 5.418 1.00 14.12 C ATOM 663 CD1 TRP A 41 -2.011 -0.561 6.272 1.00 30.33 C ATOM 664 CD2 TRP A 41 -2.182 0.107 4.140 1.00 22.53 C ATOM 665 NE1 TRP A 41 -0.879 -0.955 5.615 1.00 11.23 N ATOM 666 CE2 TRP A 41 -0.963 -0.562 4.310 1.00 22.35 C ATOM 667 CE3 TRP A 41 -2.500 0.605 2.877 1.00 71.01 C ATOM 668 CZ2 TRP A 41 -0.065 -0.739 3.269 1.00 10.44 C ATOM 669 CZ3 TRP A 41 -1.610 0.427 1.844 1.00 33.35 C ATOM 670 CH2 TRP A 41 -0.401 -0.237 2.044 1.00 14.11 C ATOM 0 H TRP A 41 -6.498 1.752 5.644 1.00 32.03 H new ATOM 0 HA TRP A 41 -5.037 0.043 3.866 1.00 54.10 H new ATOM 0 HB2 TRP A 41 -4.144 1.795 5.533 1.00 51.52 H new ATOM 0 HB3 TRP A 41 -4.408 0.597 6.785 1.00 51.52 H new ATOM 0 HD1 TRP A 41 -2.217 -0.750 7.315 1.00 30.33 H new ATOM 0 HE1 TRP A 41 -0.098 -1.461 6.032 1.00 11.23 H new ATOM 0 HE3 TRP A 41 -3.433 1.124 2.712 1.00 71.01 H new ATOM 0 HZ2 TRP A 41 0.870 -1.257 3.422 1.00 10.44 H new ATOM 0 HZ3 TRP A 41 -1.852 0.808 0.863 1.00 33.35 H new ATOM 0 HH2 TRP A 41 0.282 -0.357 1.216 1.00 14.11 H new ATOM 681 N GLY A 42 -5.832 -2.235 4.425 1.00 15.45 N ATOM 682 CA GLY A 42 -6.363 -3.586 4.665 1.00 30.13 C ATOM 683 C GLY A 42 -7.787 -3.761 4.112 1.00 54.34 C ATOM 684 O GLY A 42 -8.441 -2.770 3.770 1.00 20.42 O ATOM 0 H GLY A 42 -5.545 -2.073 3.460 1.00 15.45 H new ATOM 0 HA2 GLY A 42 -5.703 -4.320 4.203 1.00 30.13 H new ATOM 0 HA3 GLY A 42 -6.364 -3.788 5.736 1.00 30.13 H new ATOM 688 N PRO A 43 -8.304 -5.020 4.008 1.00 44.23 N ATOM 689 CA PRO A 43 -9.656 -5.286 3.432 1.00 2.14 C ATOM 690 C PRO A 43 -10.811 -4.842 4.382 1.00 4.30 C ATOM 691 O PRO A 43 -10.567 -4.624 5.573 1.00 63.00 O ATOM 692 CB PRO A 43 -9.627 -6.826 3.219 1.00 45.44 C ATOM 693 CG PRO A 43 -8.702 -7.339 4.287 1.00 72.13 C ATOM 694 CD PRO A 43 -7.633 -6.272 4.460 1.00 3.13 C ATOM 0 HA PRO A 43 -9.851 -4.724 2.519 1.00 2.14 H new ATOM 0 HB2 PRO A 43 -10.623 -7.258 3.316 1.00 45.44 H new ATOM 0 HB3 PRO A 43 -9.264 -7.082 2.224 1.00 45.44 H new ATOM 0 HG2 PRO A 43 -9.239 -7.509 5.220 1.00 72.13 H new ATOM 0 HG3 PRO A 43 -8.260 -8.292 3.996 1.00 72.13 H new ATOM 0 HD2 PRO A 43 -7.305 -6.198 5.497 1.00 3.13 H new ATOM 0 HD3 PRO A 43 -6.749 -6.491 3.861 1.00 3.13 H new ATOM 702 N PRO A 44 -12.086 -4.659 3.861 1.00 21.01 N ATOM 703 CA PRO A 44 -13.288 -4.314 4.700 1.00 3.33 C ATOM 704 C PRO A 44 -13.706 -5.458 5.677 1.00 64.22 C ATOM 705 O PRO A 44 -14.773 -6.047 5.543 1.00 23.21 O ATOM 706 CB PRO A 44 -14.398 -4.014 3.634 1.00 54.41 C ATOM 707 CG PRO A 44 -13.659 -3.800 2.345 1.00 34.01 C ATOM 708 CD PRO A 44 -12.449 -4.704 2.416 1.00 51.04 C ATOM 0 HA PRO A 44 -13.094 -3.474 5.367 1.00 3.33 H new ATOM 0 HB2 PRO A 44 -15.100 -4.844 3.552 1.00 54.41 H new ATOM 0 HB3 PRO A 44 -14.978 -3.132 3.907 1.00 54.41 H new ATOM 0 HG2 PRO A 44 -14.285 -4.049 1.488 1.00 34.01 H new ATOM 0 HG3 PRO A 44 -13.363 -2.757 2.231 1.00 34.01 H new ATOM 0 HD2 PRO A 44 -12.682 -5.717 2.089 1.00 51.04 H new ATOM 0 HD3 PRO A 44 -11.637 -4.344 1.784 1.00 51.04 H new ATOM 716 N THR A 45 -12.834 -5.705 6.668 1.00 54.34 N ATOM 717 CA THR A 45 -12.882 -6.821 7.664 1.00 20.55 C ATOM 718 C THR A 45 -11.684 -6.636 8.629 1.00 5.34 C ATOM 719 O THR A 45 -11.816 -6.749 9.852 1.00 24.22 O ATOM 720 CB THR A 45 -12.787 -8.278 7.031 1.00 31.33 C ATOM 721 OG1 THR A 45 -11.904 -8.258 5.894 1.00 15.12 O ATOM 722 CG2 THR A 45 -14.156 -8.869 6.627 1.00 13.33 C ATOM 0 H THR A 45 -12.024 -5.103 6.816 1.00 54.34 H new ATOM 0 HA THR A 45 -13.852 -6.764 8.158 1.00 20.55 H new ATOM 0 HB THR A 45 -12.391 -8.930 7.810 1.00 31.33 H new ATOM 0 HG1 THR A 45 -11.847 -9.157 5.508 1.00 15.12 H new ATOM 0 HG21 THR A 45 -14.012 -9.863 6.203 1.00 13.33 H new ATOM 0 HG22 THR A 45 -14.796 -8.938 7.506 1.00 13.33 H new ATOM 0 HG23 THR A 45 -14.627 -8.223 5.886 1.00 13.33 H new ATOM 730 N TRP A 46 -10.505 -6.336 8.031 1.00 14.24 N ATOM 731 CA TRP A 46 -9.229 -6.092 8.749 1.00 73.04 C ATOM 732 C TRP A 46 -8.696 -4.651 8.478 1.00 41.55 C ATOM 733 O TRP A 46 -7.879 -4.452 7.570 1.00 42.10 O ATOM 734 CB TRP A 46 -8.164 -7.144 8.303 1.00 14.52 C ATOM 735 CG TRP A 46 -8.471 -8.571 8.706 1.00 32.44 C ATOM 736 CD1 TRP A 46 -9.423 -9.404 8.182 1.00 11.02 C ATOM 737 CD2 TRP A 46 -7.794 -9.334 9.711 1.00 34.25 C ATOM 738 NE1 TRP A 46 -9.406 -10.607 8.836 1.00 14.25 N ATOM 739 CE2 TRP A 46 -8.409 -10.595 9.765 1.00 1.21 C ATOM 740 CE3 TRP A 46 -6.734 -9.064 10.573 1.00 22.11 C ATOM 741 CZ2 TRP A 46 -8.002 -11.584 10.653 1.00 64.12 C ATOM 742 CZ3 TRP A 46 -6.326 -10.045 11.453 1.00 32.23 C ATOM 743 CH2 TRP A 46 -6.959 -11.293 11.487 1.00 0.33 C ATOM 0 H TRP A 46 -10.412 -6.255 7.018 1.00 14.24 H new ATOM 0 HA TRP A 46 -9.415 -6.189 9.819 1.00 73.04 H new ATOM 0 HB2 TRP A 46 -8.064 -7.101 7.218 1.00 14.52 H new ATOM 0 HB3 TRP A 46 -7.198 -6.863 8.723 1.00 14.52 H new ATOM 0 HD1 TRP A 46 -10.090 -9.149 7.371 1.00 11.02 H new ATOM 0 HE1 TRP A 46 -10.038 -11.387 8.657 1.00 14.25 H new ATOM 0 HE3 TRP A 46 -6.240 -8.104 10.553 1.00 22.11 H new ATOM 0 HZ2 TRP A 46 -8.492 -12.546 10.683 1.00 64.12 H new ATOM 0 HZ3 TRP A 46 -5.505 -9.847 12.126 1.00 32.23 H new ATOM 0 HH2 TRP A 46 -6.616 -12.041 12.186 1.00 0.33 H new ATOM 754 N PRO A 47 -9.196 -3.605 9.216 1.00 32.03 N ATOM 755 CA PRO A 47 -8.632 -2.233 9.136 1.00 62.03 C ATOM 756 C PRO A 47 -7.365 -2.068 10.025 1.00 71.43 C ATOM 757 O PRO A 47 -7.299 -2.607 11.144 1.00 40.40 O ATOM 758 CB PRO A 47 -9.803 -1.357 9.641 1.00 63.43 C ATOM 759 CG PRO A 47 -10.510 -2.226 10.646 1.00 72.11 C ATOM 760 CD PRO A 47 -10.359 -3.660 10.148 1.00 22.34 C ATOM 0 HA PRO A 47 -8.292 -1.968 8.135 1.00 62.03 H new ATOM 0 HB2 PRO A 47 -9.442 -0.435 10.096 1.00 63.43 H new ATOM 0 HB3 PRO A 47 -10.467 -1.071 8.825 1.00 63.43 H new ATOM 0 HG2 PRO A 47 -10.072 -2.110 11.637 1.00 72.11 H new ATOM 0 HG3 PRO A 47 -11.562 -1.951 10.728 1.00 72.11 H new ATOM 0 HD2 PRO A 47 -10.177 -4.350 10.972 1.00 22.34 H new ATOM 0 HD3 PRO A 47 -11.261 -4.002 9.640 1.00 22.34 H new ATOM 768 N ALA A 48 -6.369 -1.317 9.523 1.00 64.23 N ATOM 769 CA ALA A 48 -5.095 -1.094 10.235 1.00 23.11 C ATOM 770 C ALA A 48 -5.257 -0.148 11.446 1.00 42.14 C ATOM 771 O ALA A 48 -6.188 0.660 11.513 1.00 35.32 O ATOM 772 CB ALA A 48 -4.036 -0.560 9.268 1.00 70.00 C ATOM 0 H ALA A 48 -6.422 -0.849 8.618 1.00 64.23 H new ATOM 0 HA ALA A 48 -4.767 -2.057 10.628 1.00 23.11 H new ATOM 0 HB1 ALA A 48 -3.101 -0.400 9.805 1.00 70.00 H new ATOM 0 HB2 ALA A 48 -3.876 -1.283 8.468 1.00 70.00 H new ATOM 0 HB3 ALA A 48 -4.376 0.384 8.841 1.00 70.00 H new ATOM 778 N THR A 49 -4.333 -0.277 12.403 1.00 64.10 N ATOM 779 CA THR A 49 -4.303 0.536 13.635 1.00 42.21 C ATOM 780 C THR A 49 -2.869 1.057 13.834 1.00 51.54 C ATOM 781 O THR A 49 -2.010 0.337 14.360 1.00 13.33 O ATOM 782 CB THR A 49 -4.750 -0.305 14.886 1.00 62.10 C ATOM 783 OG1 THR A 49 -5.938 -1.055 14.577 1.00 72.42 O ATOM 784 CG2 THR A 49 -5.018 0.576 16.123 1.00 52.41 C ATOM 0 H THR A 49 -3.573 -0.955 12.349 1.00 64.10 H new ATOM 0 HA THR A 49 -5.001 1.367 13.534 1.00 42.21 H new ATOM 0 HB THR A 49 -3.927 -0.978 15.126 1.00 62.10 H new ATOM 0 HG1 THR A 49 -5.932 -1.898 15.076 1.00 72.42 H new ATOM 0 HG21 THR A 49 -5.324 -0.054 16.959 1.00 52.41 H new ATOM 0 HG22 THR A 49 -4.109 1.116 16.389 1.00 52.41 H new ATOM 0 HG23 THR A 49 -5.811 1.289 15.897 1.00 52.41 H new ATOM 792 N PHE A 50 -2.606 2.294 13.370 1.00 73.11 N ATOM 793 CA PHE A 50 -1.247 2.886 13.374 1.00 0.33 C ATOM 794 C PHE A 50 -0.882 3.441 14.763 1.00 3.52 C ATOM 795 O PHE A 50 -1.455 4.429 15.224 1.00 65.14 O ATOM 796 CB PHE A 50 -1.107 3.971 12.260 1.00 1.01 C ATOM 797 CG PHE A 50 -0.899 3.371 10.866 1.00 41.14 C ATOM 798 CD1 PHE A 50 -1.962 2.824 10.151 1.00 14.33 C ATOM 799 CD2 PHE A 50 0.375 3.322 10.290 1.00 75.10 C ATOM 800 CE1 PHE A 50 -1.764 2.244 8.913 1.00 23.05 C ATOM 801 CE2 PHE A 50 0.570 2.747 9.049 1.00 13.33 C ATOM 802 CZ PHE A 50 -0.499 2.207 8.362 1.00 71.14 C ATOM 0 H PHE A 50 -3.321 2.910 12.984 1.00 73.11 H new ATOM 0 HA PHE A 50 -0.534 2.093 13.149 1.00 0.33 H new ATOM 0 HB2 PHE A 50 -2.001 4.594 12.252 1.00 1.01 H new ATOM 0 HB3 PHE A 50 -0.267 4.623 12.498 1.00 1.01 H new ATOM 0 HD1 PHE A 50 -2.956 2.854 10.571 1.00 14.33 H new ATOM 0 HD2 PHE A 50 1.217 3.739 10.822 1.00 75.10 H new ATOM 0 HE1 PHE A 50 -2.599 1.819 8.376 1.00 23.05 H new ATOM 0 HE2 PHE A 50 1.559 2.720 8.616 1.00 13.33 H new ATOM 0 HZ PHE A 50 -0.345 1.755 7.393 1.00 71.14 H new ATOM 812 N GLU A 51 0.061 2.756 15.432 1.00 34.43 N ATOM 813 CA GLU A 51 0.635 3.189 16.717 1.00 72.13 C ATOM 814 C GLU A 51 1.617 4.361 16.498 1.00 60.41 C ATOM 815 O GLU A 51 1.693 5.283 17.317 1.00 32.44 O ATOM 816 CB GLU A 51 1.353 1.994 17.399 1.00 4.51 C ATOM 817 CG GLU A 51 0.511 0.701 17.495 1.00 31.50 C ATOM 818 CD GLU A 51 -0.846 0.880 18.203 1.00 33.34 C ATOM 819 OE1 GLU A 51 -0.903 0.785 19.445 1.00 21.12 O ATOM 820 OE2 GLU A 51 -1.867 1.096 17.519 1.00 44.00 O ATOM 0 H GLU A 51 0.450 1.877 15.092 1.00 34.43 H new ATOM 0 HA GLU A 51 -0.168 3.535 17.368 1.00 72.13 H new ATOM 0 HB2 GLU A 51 2.268 1.775 16.848 1.00 4.51 H new ATOM 0 HB3 GLU A 51 1.650 2.293 18.404 1.00 4.51 H new ATOM 0 HG2 GLU A 51 0.335 0.320 16.489 1.00 31.50 H new ATOM 0 HG3 GLU A 51 1.088 -0.056 18.026 1.00 31.50 H new ATOM 827 N THR A 52 2.367 4.296 15.378 1.00 70.45 N ATOM 828 CA THR A 52 3.221 5.408 14.904 1.00 35.03 C ATOM 829 C THR A 52 3.232 5.457 13.361 1.00 14.02 C ATOM 830 O THR A 52 3.012 4.437 12.698 1.00 24.05 O ATOM 831 CB THR A 52 4.690 5.335 15.446 1.00 72.33 C ATOM 832 OG1 THR A 52 5.407 6.533 15.094 1.00 21.42 O ATOM 833 CG2 THR A 52 5.469 4.120 14.928 1.00 5.40 C ATOM 0 H THR A 52 2.398 3.473 14.777 1.00 70.45 H new ATOM 0 HA THR A 52 2.782 6.323 15.302 1.00 35.03 H new ATOM 0 HB THR A 52 4.610 5.234 16.528 1.00 72.33 H new ATOM 0 HG1 THR A 52 6.323 6.479 15.438 1.00 21.42 H new ATOM 0 HG21 THR A 52 6.477 4.131 15.342 1.00 5.40 H new ATOM 0 HG22 THR A 52 4.961 3.205 15.233 1.00 5.40 H new ATOM 0 HG23 THR A 52 5.523 4.159 13.840 1.00 5.40 H new ATOM 841 N HIS A 53 3.461 6.658 12.806 1.00 22.45 N ATOM 842 CA HIS A 53 3.571 6.884 11.356 1.00 32.23 C ATOM 843 C HIS A 53 4.479 8.113 11.102 1.00 11.54 C ATOM 844 O HIS A 53 4.011 9.256 11.045 1.00 72.31 O ATOM 845 CB HIS A 53 2.148 7.051 10.738 1.00 23.12 C ATOM 846 CG HIS A 53 2.112 7.244 9.237 1.00 74.54 C ATOM 847 ND1 HIS A 53 2.202 8.496 8.681 1.00 23.42 N ATOM 848 CD2 HIS A 53 1.954 6.337 8.236 1.00 42.15 C ATOM 849 CE1 HIS A 53 2.104 8.328 7.379 1.00 51.45 C ATOM 850 NE2 HIS A 53 1.952 7.041 7.057 1.00 35.04 N ATOM 0 H HIS A 53 3.576 7.508 13.357 1.00 22.45 H new ATOM 0 HA HIS A 53 4.031 6.025 10.867 1.00 32.23 H new ATOM 0 HB2 HIS A 53 1.556 6.171 10.989 1.00 23.12 H new ATOM 0 HB3 HIS A 53 1.664 7.906 11.209 1.00 23.12 H new ATOM 0 HD2 HIS A 53 1.850 5.268 8.347 1.00 42.15 H new ATOM 0 HE1 HIS A 53 2.142 9.132 6.659 1.00 51.45 H new ATOM 0 HE2 HIS A 53 1.854 6.656 6.118 1.00 35.04 H new ATOM 858 N GLU A 54 5.801 7.863 11.040 1.00 24.14 N ATOM 859 CA GLU A 54 6.808 8.895 10.711 1.00 14.25 C ATOM 860 C GLU A 54 6.855 9.094 9.191 1.00 43.41 C ATOM 861 O GLU A 54 7.619 8.406 8.509 1.00 3.01 O ATOM 862 CB GLU A 54 8.226 8.490 11.226 1.00 32.31 C ATOM 863 CG GLU A 54 8.312 8.161 12.721 1.00 51.32 C ATOM 864 CD GLU A 54 7.987 9.353 13.635 1.00 63.11 C ATOM 865 OE1 GLU A 54 8.835 10.259 13.776 1.00 64.34 O ATOM 866 OE2 GLU A 54 6.891 9.386 14.223 1.00 14.23 O ATOM 0 H GLU A 54 6.202 6.942 11.216 1.00 24.14 H new ATOM 0 HA GLU A 54 6.519 9.823 11.204 1.00 14.25 H new ATOM 0 HB2 GLU A 54 8.566 7.623 10.660 1.00 32.31 H new ATOM 0 HB3 GLU A 54 8.919 9.303 11.010 1.00 32.31 H new ATOM 0 HG2 GLU A 54 7.625 7.345 12.945 1.00 51.32 H new ATOM 0 HG3 GLU A 54 9.316 7.803 12.948 1.00 51.32 H new ATOM 873 N PHE A 55 6.014 9.999 8.654 1.00 13.14 N ATOM 874 CA PHE A 55 6.013 10.338 7.223 1.00 42.13 C ATOM 875 C PHE A 55 7.228 11.251 6.887 1.00 31.11 C ATOM 876 O PHE A 55 7.091 12.445 6.605 1.00 73.22 O ATOM 877 CB PHE A 55 4.659 10.993 6.831 1.00 5.31 C ATOM 878 CG PHE A 55 4.378 10.963 5.330 1.00 4.44 C ATOM 879 CD1 PHE A 55 4.037 9.764 4.713 1.00 75.05 C ATOM 880 CD2 PHE A 55 4.458 12.109 4.543 1.00 42.02 C ATOM 881 CE1 PHE A 55 3.777 9.704 3.359 1.00 72.02 C ATOM 882 CE2 PHE A 55 4.199 12.049 3.187 1.00 25.32 C ATOM 883 CZ PHE A 55 3.857 10.845 2.596 1.00 43.44 C ATOM 0 H PHE A 55 5.321 10.512 9.199 1.00 13.14 H new ATOM 0 HA PHE A 55 6.118 9.428 6.632 1.00 42.13 H new ATOM 0 HB2 PHE A 55 3.852 10.480 7.354 1.00 5.31 H new ATOM 0 HB3 PHE A 55 4.653 12.028 7.173 1.00 5.31 H new ATOM 0 HD1 PHE A 55 3.974 8.863 5.305 1.00 75.05 H new ATOM 0 HD2 PHE A 55 4.725 13.052 4.996 1.00 42.02 H new ATOM 0 HE1 PHE A 55 3.511 8.763 2.900 1.00 72.02 H new ATOM 0 HE2 PHE A 55 4.264 12.944 2.586 1.00 25.32 H new ATOM 0 HZ PHE A 55 3.653 10.802 1.536 1.00 43.44 H new ATOM 893 N THR A 56 8.425 10.652 6.983 1.00 41.34 N ATOM 894 CA THR A 56 9.720 11.306 6.693 1.00 24.25 C ATOM 895 C THR A 56 10.693 10.293 6.046 1.00 41.04 C ATOM 896 O THR A 56 10.545 9.081 6.224 1.00 62.34 O ATOM 897 CB THR A 56 10.359 11.924 7.989 1.00 54.20 C ATOM 898 OG1 THR A 56 11.703 12.373 7.731 1.00 43.15 O ATOM 899 CG2 THR A 56 10.362 10.934 9.170 1.00 34.42 C ATOM 0 H THR A 56 8.527 9.679 7.270 1.00 41.34 H new ATOM 0 HA THR A 56 9.534 12.122 5.995 1.00 24.25 H new ATOM 0 HB THR A 56 9.738 12.775 8.268 1.00 54.20 H new ATOM 0 HG1 THR A 56 12.083 12.756 8.549 1.00 43.15 H new ATOM 0 HG21 THR A 56 10.814 11.408 10.041 1.00 34.42 H new ATOM 0 HG22 THR A 56 9.338 10.644 9.405 1.00 34.42 H new ATOM 0 HG23 THR A 56 10.937 10.048 8.901 1.00 34.42 H new ATOM 907 N VAL A 57 11.680 10.805 5.294 1.00 62.10 N ATOM 908 CA VAL A 57 12.662 9.974 4.560 1.00 72.33 C ATOM 909 C VAL A 57 13.633 9.264 5.550 1.00 64.51 C ATOM 910 O VAL A 57 14.351 9.921 6.317 1.00 1.13 O ATOM 911 CB VAL A 57 13.457 10.855 3.530 1.00 20.22 C ATOM 912 CG1 VAL A 57 14.499 10.015 2.757 1.00 73.15 C ATOM 913 CG2 VAL A 57 12.488 11.573 2.554 1.00 14.41 C ATOM 0 H VAL A 57 11.824 11.808 5.174 1.00 62.10 H new ATOM 0 HA VAL A 57 12.122 9.203 4.010 1.00 72.33 H new ATOM 0 HB VAL A 57 13.998 11.616 4.092 1.00 20.22 H new ATOM 0 HG11 VAL A 57 15.032 10.654 2.053 1.00 73.15 H new ATOM 0 HG12 VAL A 57 15.209 9.579 3.460 1.00 73.15 H new ATOM 0 HG13 VAL A 57 13.992 9.218 2.212 1.00 73.15 H new ATOM 0 HG21 VAL A 57 13.061 12.177 1.851 1.00 14.41 H new ATOM 0 HG22 VAL A 57 11.907 10.831 2.006 1.00 14.41 H new ATOM 0 HG23 VAL A 57 11.813 12.217 3.119 1.00 14.41 H new ATOM 923 N GLY A 58 13.631 7.919 5.526 1.00 41.21 N ATOM 924 CA GLY A 58 14.368 7.093 6.510 1.00 41.31 C ATOM 925 C GLY A 58 13.570 6.827 7.800 1.00 2.54 C ATOM 926 O GLY A 58 14.075 6.173 8.724 1.00 71.33 O ATOM 0 H GLY A 58 13.123 7.373 4.830 1.00 41.21 H new ATOM 0 HA2 GLY A 58 14.631 6.140 6.050 1.00 41.31 H new ATOM 0 HA3 GLY A 58 15.303 7.592 6.765 1.00 41.31 H new ATOM 930 N GLY A 59 12.322 7.353 7.857 1.00 4.23 N ATOM 931 CA GLY A 59 11.405 7.126 8.989 1.00 53.15 C ATOM 932 C GLY A 59 10.573 5.856 8.822 1.00 54.12 C ATOM 933 O GLY A 59 10.537 5.278 7.737 1.00 4.43 O ATOM 0 H GLY A 59 11.930 7.942 7.122 1.00 4.23 H new ATOM 0 HA2 GLY A 59 11.981 7.060 9.912 1.00 53.15 H new ATOM 0 HA3 GLY A 59 10.738 7.983 9.090 1.00 53.15 H new ATOM 937 N LYS A 60 9.898 5.407 9.897 1.00 21.21 N ATOM 938 CA LYS A 60 9.123 4.135 9.890 1.00 20.52 C ATOM 939 C LYS A 60 7.689 4.314 10.438 1.00 1.40 C ATOM 940 O LYS A 60 7.348 5.348 11.010 1.00 11.04 O ATOM 941 CB LYS A 60 9.867 3.041 10.712 1.00 74.30 C ATOM 942 CG LYS A 60 11.251 2.654 10.150 1.00 61.33 C ATOM 943 CD LYS A 60 11.878 1.442 10.876 1.00 52.24 C ATOM 944 CE LYS A 60 13.210 1.000 10.247 1.00 74.41 C ATOM 945 NZ LYS A 60 13.760 -0.215 10.896 1.00 21.43 N ATOM 0 H LYS A 60 9.869 5.903 10.788 1.00 21.21 H new ATOM 0 HA LYS A 60 9.041 3.821 8.849 1.00 20.52 H new ATOM 0 HB2 LYS A 60 9.990 3.394 11.736 1.00 74.30 H new ATOM 0 HB3 LYS A 60 9.243 2.148 10.755 1.00 74.30 H new ATOM 0 HG2 LYS A 60 11.155 2.426 9.088 1.00 61.33 H new ATOM 0 HG3 LYS A 60 11.923 3.508 10.233 1.00 61.33 H new ATOM 0 HD2 LYS A 60 12.041 1.695 11.923 1.00 52.24 H new ATOM 0 HD3 LYS A 60 11.176 0.608 10.856 1.00 52.24 H new ATOM 0 HE2 LYS A 60 13.062 0.807 9.185 1.00 74.41 H new ATOM 0 HE3 LYS A 60 13.934 1.811 10.326 1.00 74.41 H new ATOM 0 HZ1 LYS A 60 14.657 -0.476 10.440 1.00 21.43 H new ATOM 0 HZ2 LYS A 60 13.927 -0.024 11.905 1.00 21.43 H new ATOM 0 HZ3 LYS A 60 13.082 -0.998 10.799 1.00 21.43 H new ATOM 959 N ALA A 61 6.873 3.260 10.280 1.00 71.25 N ATOM 960 CA ALA A 61 5.475 3.228 10.761 1.00 13.50 C ATOM 961 C ALA A 61 5.159 1.857 11.396 1.00 44.00 C ATOM 962 O ALA A 61 5.485 0.818 10.820 1.00 33.11 O ATOM 963 CB ALA A 61 4.500 3.540 9.606 1.00 54.23 C ATOM 0 H ALA A 61 7.162 2.400 9.813 1.00 71.25 H new ATOM 0 HA ALA A 61 5.349 3.995 11.525 1.00 13.50 H new ATOM 0 HB1 ALA A 61 3.476 3.512 9.977 1.00 54.23 H new ATOM 0 HB2 ALA A 61 4.715 4.531 9.206 1.00 54.23 H new ATOM 0 HB3 ALA A 61 4.620 2.797 8.818 1.00 54.23 H new ATOM 969 N ALA A 62 4.520 1.863 12.578 1.00 61.53 N ATOM 970 CA ALA A 62 4.116 0.627 13.289 1.00 15.02 C ATOM 971 C ALA A 62 2.593 0.542 13.320 1.00 65.14 C ATOM 972 O ALA A 62 1.925 1.523 13.671 1.00 63.03 O ATOM 973 CB ALA A 62 4.662 0.597 14.722 1.00 74.25 C ATOM 0 H ALA A 62 4.267 2.720 13.071 1.00 61.53 H new ATOM 0 HA ALA A 62 4.532 -0.227 12.755 1.00 15.02 H new ATOM 0 HB1 ALA A 62 4.346 -0.324 15.213 1.00 74.25 H new ATOM 0 HB2 ALA A 62 5.751 0.640 14.697 1.00 74.25 H new ATOM 0 HB3 ALA A 62 4.278 1.454 15.276 1.00 74.25 H new ATOM 979 N TYR A 63 2.052 -0.625 12.959 1.00 32.14 N ATOM 980 CA TYR A 63 0.599 -0.843 12.916 1.00 22.23 C ATOM 981 C TYR A 63 0.243 -2.328 13.054 1.00 3.00 C ATOM 982 O TYR A 63 1.114 -3.203 13.096 1.00 23.33 O ATOM 983 CB TYR A 63 -0.005 -0.267 11.603 1.00 42.22 C ATOM 984 CG TYR A 63 0.502 -0.920 10.302 1.00 14.32 C ATOM 985 CD1 TYR A 63 1.716 -0.531 9.724 1.00 33.31 C ATOM 986 CD2 TYR A 63 -0.242 -1.905 9.646 1.00 61.42 C ATOM 987 CE1 TYR A 63 2.159 -1.096 8.547 1.00 62.41 C ATOM 988 CE2 TYR A 63 0.206 -2.476 8.473 1.00 23.40 C ATOM 989 CZ TYR A 63 1.404 -2.067 7.926 1.00 73.14 C ATOM 990 OH TYR A 63 1.837 -2.623 6.741 1.00 45.14 O ATOM 0 H TYR A 63 2.602 -1.441 12.690 1.00 32.14 H new ATOM 0 HA TYR A 63 0.167 -0.315 13.766 1.00 22.23 H new ATOM 0 HB2 TYR A 63 -1.089 -0.373 11.644 1.00 42.22 H new ATOM 0 HB3 TYR A 63 0.210 0.801 11.562 1.00 42.22 H new ATOM 0 HD1 TYR A 63 2.316 0.225 10.208 1.00 33.31 H new ATOM 0 HD2 TYR A 63 -1.185 -2.225 10.065 1.00 61.42 H new ATOM 0 HE1 TYR A 63 3.095 -0.778 8.113 1.00 62.41 H new ATOM 0 HE2 TYR A 63 -0.380 -3.241 7.985 1.00 23.40 H new ATOM 0 HH TYR A 63 2.503 -2.035 6.328 1.00 45.14 H new ATOM 1000 N TYR A 64 -1.063 -2.581 13.147 1.00 3.32 N ATOM 1001 CA TYR A 64 -1.639 -3.928 13.081 1.00 51.31 C ATOM 1002 C TYR A 64 -3.094 -3.855 12.584 1.00 41.34 C ATOM 1003 O TYR A 64 -3.845 -2.961 12.983 1.00 41.03 O ATOM 1004 CB TYR A 64 -1.535 -4.651 14.459 1.00 43.42 C ATOM 1005 CG TYR A 64 -1.959 -3.812 15.683 1.00 43.22 C ATOM 1006 CD1 TYR A 64 -3.302 -3.666 16.035 1.00 61.31 C ATOM 1007 CD2 TYR A 64 -1.005 -3.188 16.497 1.00 34.33 C ATOM 1008 CE1 TYR A 64 -3.680 -2.937 17.147 1.00 55.02 C ATOM 1009 CE2 TYR A 64 -1.381 -2.459 17.605 1.00 34.53 C ATOM 1010 CZ TYR A 64 -2.717 -2.336 17.927 1.00 50.50 C ATOM 1011 OH TYR A 64 -3.090 -1.598 19.033 1.00 70.35 O ATOM 0 H TYR A 64 -1.761 -1.848 13.272 1.00 3.32 H new ATOM 0 HA TYR A 64 -1.066 -4.520 12.367 1.00 51.31 H new ATOM 0 HB2 TYR A 64 -2.151 -5.550 14.426 1.00 43.42 H new ATOM 0 HB3 TYR A 64 -0.504 -4.976 14.602 1.00 43.42 H new ATOM 0 HD1 TYR A 64 -4.062 -4.133 15.426 1.00 61.31 H new ATOM 0 HD2 TYR A 64 0.043 -3.280 16.252 1.00 34.33 H new ATOM 0 HE1 TYR A 64 -4.725 -2.839 17.403 1.00 55.02 H new ATOM 0 HE2 TYR A 64 -0.631 -1.985 18.220 1.00 34.53 H new ATOM 0 HH TYR A 64 -2.346 -1.023 19.309 1.00 70.35 H new ATOM 1021 N MET A 65 -3.484 -4.792 11.711 1.00 4.14 N ATOM 1022 CA MET A 65 -4.870 -4.892 11.232 1.00 13.00 C ATOM 1023 C MET A 65 -5.706 -5.646 12.278 1.00 73.14 C ATOM 1024 O MET A 65 -5.541 -6.855 12.470 1.00 24.13 O ATOM 1025 CB MET A 65 -4.949 -5.584 9.840 1.00 73.21 C ATOM 1026 CG MET A 65 -4.429 -4.730 8.670 1.00 42.43 C ATOM 1027 SD MET A 65 -2.647 -4.423 8.732 1.00 32.35 S ATOM 1028 CE MET A 65 -1.979 -6.028 8.279 1.00 73.51 C ATOM 0 H MET A 65 -2.857 -5.495 11.320 1.00 4.14 H new ATOM 0 HA MET A 65 -5.273 -3.888 11.102 1.00 13.00 H new ATOM 0 HB2 MET A 65 -4.378 -6.512 9.877 1.00 73.21 H new ATOM 0 HB3 MET A 65 -5.986 -5.855 9.642 1.00 73.21 H new ATOM 0 HG2 MET A 65 -4.671 -5.229 7.732 1.00 42.43 H new ATOM 0 HG3 MET A 65 -4.954 -3.775 8.667 1.00 42.43 H new ATOM 0 HE1 MET A 65 -0.897 -5.955 8.174 1.00 73.51 H new ATOM 0 HE2 MET A 65 -2.220 -6.755 9.055 1.00 73.51 H new ATOM 0 HE3 MET A 65 -2.415 -6.350 7.333 1.00 73.51 H new ATOM 1038 N THR A 66 -6.550 -4.892 12.999 1.00 24.32 N ATOM 1039 CA THR A 66 -7.461 -5.442 14.013 1.00 23.54 C ATOM 1040 C THR A 66 -8.675 -6.088 13.311 1.00 54.15 C ATOM 1041 O THR A 66 -9.558 -5.391 12.809 1.00 54.44 O ATOM 1042 CB THR A 66 -7.925 -4.335 15.026 1.00 30.03 C ATOM 1043 OG1 THR A 66 -6.773 -3.699 15.610 1.00 11.34 O ATOM 1044 CG2 THR A 66 -8.806 -4.906 16.157 1.00 21.21 C ATOM 0 H THR A 66 -6.620 -3.880 12.894 1.00 24.32 H new ATOM 0 HA THR A 66 -6.930 -6.201 14.587 1.00 23.54 H new ATOM 0 HB THR A 66 -8.521 -3.615 14.465 1.00 30.03 H new ATOM 0 HG1 THR A 66 -7.065 -3.008 16.240 1.00 11.34 H new ATOM 0 HG21 THR A 66 -9.101 -4.101 16.830 1.00 21.21 H new ATOM 0 HG22 THR A 66 -9.697 -5.364 15.728 1.00 21.21 H new ATOM 0 HG23 THR A 66 -8.244 -5.656 16.713 1.00 21.21 H new ATOM 1052 N GLY A 67 -8.679 -7.427 13.266 1.00 21.54 N ATOM 1053 CA GLY A 67 -9.676 -8.196 12.516 1.00 2.30 C ATOM 1054 C GLY A 67 -11.057 -8.267 13.170 1.00 64.35 C ATOM 1055 O GLY A 67 -11.279 -7.661 14.227 1.00 41.41 O ATOM 0 H GLY A 67 -7.991 -8.005 13.749 1.00 21.54 H new ATOM 0 HA2 GLY A 67 -9.782 -7.757 11.524 1.00 2.30 H new ATOM 0 HA3 GLY A 67 -9.303 -9.211 12.378 1.00 2.30 H new ATOM 1059 N PRO A 68 -12.020 -9.041 12.575 1.00 34.55 N ATOM 1060 CA PRO A 68 -13.404 -9.183 13.126 1.00 33.44 C ATOM 1061 C PRO A 68 -13.449 -10.026 14.430 1.00 22.41 C ATOM 1062 O PRO A 68 -14.439 -10.008 15.168 1.00 4.32 O ATOM 1063 CB PRO A 68 -14.171 -9.867 11.964 1.00 13.32 C ATOM 1064 CG PRO A 68 -13.121 -10.666 11.236 1.00 10.53 C ATOM 1065 CD PRO A 68 -11.840 -9.854 11.330 1.00 4.23 C ATOM 0 HA PRO A 68 -13.836 -8.228 13.425 1.00 33.44 H new ATOM 0 HB2 PRO A 68 -14.969 -10.508 12.339 1.00 13.32 H new ATOM 0 HB3 PRO A 68 -14.635 -9.131 11.308 1.00 13.32 H new ATOM 0 HG2 PRO A 68 -12.994 -11.649 11.689 1.00 10.53 H new ATOM 0 HG3 PRO A 68 -13.405 -10.829 10.196 1.00 10.53 H new ATOM 0 HD2 PRO A 68 -10.963 -10.498 11.396 1.00 4.23 H new ATOM 0 HD3 PRO A 68 -11.704 -9.219 10.454 1.00 4.23 H new ATOM 1073 N ASP A 69 -12.350 -10.749 14.693 1.00 34.10 N ATOM 1074 CA ASP A 69 -12.153 -11.561 15.913 1.00 34.21 C ATOM 1075 C ASP A 69 -11.340 -10.776 16.978 1.00 53.42 C ATOM 1076 O ASP A 69 -11.013 -11.315 18.045 1.00 34.23 O ATOM 1077 CB ASP A 69 -11.400 -12.861 15.526 1.00 22.45 C ATOM 1078 CG ASP A 69 -11.967 -13.509 14.254 1.00 73.10 C ATOM 1079 OD1 ASP A 69 -12.902 -14.326 14.350 1.00 42.02 O ATOM 1080 OD2 ASP A 69 -11.479 -13.181 13.147 1.00 3.42 O ATOM 0 H ASP A 69 -11.556 -10.789 14.054 1.00 34.10 H new ATOM 0 HA ASP A 69 -13.125 -11.801 16.344 1.00 34.21 H new ATOM 0 HB2 ASP A 69 -10.344 -12.635 15.376 1.00 22.45 H new ATOM 0 HB3 ASP A 69 -11.460 -13.572 16.350 1.00 22.45 H new ATOM 1085 N GLY A 70 -11.011 -9.508 16.658 1.00 21.35 N ATOM 1086 CA GLY A 70 -10.098 -8.697 17.473 1.00 23.20 C ATOM 1087 C GLY A 70 -8.630 -9.131 17.348 1.00 72.51 C ATOM 1088 O GLY A 70 -7.786 -8.720 18.150 1.00 31.53 O ATOM 0 H GLY A 70 -11.370 -9.025 15.834 1.00 21.35 H new ATOM 0 HA2 GLY A 70 -10.188 -7.652 17.177 1.00 23.20 H new ATOM 0 HA3 GLY A 70 -10.401 -8.759 18.518 1.00 23.20 H new ATOM 1092 N THR A 71 -8.337 -9.959 16.326 1.00 72.42 N ATOM 1093 CA THR A 71 -6.994 -10.533 16.090 1.00 41.22 C ATOM 1094 C THR A 71 -6.050 -9.495 15.449 1.00 4.24 C ATOM 1095 O THR A 71 -6.390 -8.882 14.440 1.00 61.31 O ATOM 1096 CB THR A 71 -7.084 -11.805 15.169 1.00 10.12 C ATOM 1097 OG1 THR A 71 -7.989 -12.764 15.749 1.00 54.23 O ATOM 1098 CG2 THR A 71 -5.705 -12.470 14.945 1.00 13.00 C ATOM 0 H THR A 71 -9.029 -10.251 15.636 1.00 72.42 H new ATOM 0 HA THR A 71 -6.588 -10.823 17.059 1.00 41.22 H new ATOM 0 HB THR A 71 -7.453 -11.475 14.198 1.00 10.12 H new ATOM 0 HG1 THR A 71 -8.043 -13.554 15.171 1.00 54.23 H new ATOM 0 HG21 THR A 71 -5.822 -13.343 14.303 1.00 13.00 H new ATOM 0 HG22 THR A 71 -5.031 -11.758 14.470 1.00 13.00 H new ATOM 0 HG23 THR A 71 -5.290 -12.778 15.904 1.00 13.00 H new ATOM 1106 N LYS A 72 -4.865 -9.312 16.051 1.00 23.13 N ATOM 1107 CA LYS A 72 -3.840 -8.358 15.571 1.00 24.02 C ATOM 1108 C LYS A 72 -2.909 -9.018 14.523 1.00 31.24 C ATOM 1109 O LYS A 72 -2.060 -9.848 14.869 1.00 31.40 O ATOM 1110 CB LYS A 72 -2.997 -7.803 16.767 1.00 2.43 C ATOM 1111 CG LYS A 72 -3.686 -6.706 17.615 1.00 51.13 C ATOM 1112 CD LYS A 72 -4.937 -7.176 18.377 1.00 13.52 C ATOM 1113 CE LYS A 72 -5.621 -6.037 19.148 1.00 25.14 C ATOM 1114 NZ LYS A 72 -6.807 -6.520 19.892 1.00 5.32 N ATOM 0 H LYS A 72 -4.585 -9.822 16.889 1.00 23.13 H new ATOM 0 HA LYS A 72 -4.359 -7.527 15.093 1.00 24.02 H new ATOM 0 HB2 LYS A 72 -2.737 -8.634 17.422 1.00 2.43 H new ATOM 0 HB3 LYS A 72 -2.063 -7.401 16.375 1.00 2.43 H new ATOM 0 HG2 LYS A 72 -2.965 -6.314 18.333 1.00 51.13 H new ATOM 0 HG3 LYS A 72 -3.965 -5.880 16.960 1.00 51.13 H new ATOM 0 HD2 LYS A 72 -5.646 -7.610 17.672 1.00 13.52 H new ATOM 0 HD3 LYS A 72 -4.658 -7.966 19.075 1.00 13.52 H new ATOM 0 HE2 LYS A 72 -4.911 -5.590 19.844 1.00 25.14 H new ATOM 0 HE3 LYS A 72 -5.921 -5.254 18.452 1.00 25.14 H new ATOM 0 HZ1 LYS A 72 -7.484 -5.739 20.011 1.00 5.32 H new ATOM 0 HZ2 LYS A 72 -7.259 -7.292 19.362 1.00 5.32 H new ATOM 0 HZ3 LYS A 72 -6.512 -6.868 20.827 1.00 5.32 H new ATOM 1128 N ALA A 73 -3.097 -8.657 13.237 1.00 73.42 N ATOM 1129 CA ALA A 73 -2.121 -8.981 12.174 1.00 2.21 C ATOM 1130 C ALA A 73 -1.089 -7.838 12.101 1.00 3.54 C ATOM 1131 O ALA A 73 -1.351 -6.792 11.502 1.00 2.14 O ATOM 1132 CB ALA A 73 -2.835 -9.178 10.825 1.00 4.30 C ATOM 0 H ALA A 73 -3.914 -8.142 12.909 1.00 73.42 H new ATOM 0 HA ALA A 73 -1.611 -9.916 12.404 1.00 2.21 H new ATOM 0 HB1 ALA A 73 -2.100 -9.416 10.056 1.00 4.30 H new ATOM 0 HB2 ALA A 73 -3.551 -9.996 10.908 1.00 4.30 H new ATOM 0 HB3 ALA A 73 -3.360 -8.262 10.554 1.00 4.30 H new ATOM 1138 N ARG A 74 0.083 -8.047 12.721 1.00 74.25 N ATOM 1139 CA ARG A 74 1.072 -6.968 12.946 1.00 13.11 C ATOM 1140 C ARG A 74 1.886 -6.690 11.653 1.00 11.53 C ATOM 1141 O ARG A 74 2.299 -7.613 10.953 1.00 31.43 O ATOM 1142 CB ARG A 74 1.986 -7.343 14.172 1.00 50.00 C ATOM 1143 CG ARG A 74 2.533 -6.145 15.010 1.00 43.01 C ATOM 1144 CD ARG A 74 3.718 -5.413 14.362 1.00 23.22 C ATOM 1145 NE ARG A 74 4.152 -4.241 15.139 1.00 41.03 N ATOM 1146 CZ ARG A 74 5.149 -3.438 14.821 1.00 60.21 C ATOM 1147 NH1 ARG A 74 5.767 -3.529 13.679 1.00 3.42 N ATOM 1148 NH2 ARG A 74 5.497 -2.511 15.646 1.00 12.43 N ATOM 0 H ARG A 74 0.375 -8.956 13.079 1.00 74.25 H new ATOM 0 HA ARG A 74 0.557 -6.039 13.189 1.00 13.11 H new ATOM 0 HB2 ARG A 74 1.419 -7.996 14.836 1.00 50.00 H new ATOM 0 HB3 ARG A 74 2.834 -7.921 13.804 1.00 50.00 H new ATOM 0 HG2 ARG A 74 1.725 -5.432 15.174 1.00 43.01 H new ATOM 0 HG3 ARG A 74 2.838 -6.511 15.990 1.00 43.01 H new ATOM 0 HD2 ARG A 74 4.554 -6.105 14.257 1.00 23.22 H new ATOM 0 HD3 ARG A 74 3.439 -5.095 13.357 1.00 23.22 H new ATOM 0 HE ARG A 74 3.639 -4.032 15.995 1.00 41.03 H new ATOM 0 HH11 ARG A 74 5.484 -4.236 13.001 1.00 3.42 H new ATOM 0 HH12 ARG A 74 6.535 -2.893 13.462 1.00 3.42 H new ATOM 0 HH21 ARG A 74 5.003 -2.405 16.532 1.00 12.43 H new ATOM 0 HH22 ARG A 74 6.266 -1.883 15.413 1.00 12.43 H new ATOM 1162 N GLY A 75 2.066 -5.401 11.323 1.00 40.33 N ATOM 1163 CA GLY A 75 2.877 -4.981 10.171 1.00 13.21 C ATOM 1164 C GLY A 75 3.793 -3.805 10.503 1.00 24.12 C ATOM 1165 O GLY A 75 3.556 -3.067 11.469 1.00 71.44 O ATOM 0 H GLY A 75 1.656 -4.626 11.844 1.00 40.33 H new ATOM 0 HA2 GLY A 75 3.480 -5.822 9.828 1.00 13.21 H new ATOM 0 HA3 GLY A 75 2.218 -4.704 9.348 1.00 13.21 H new ATOM 1169 N TRP A 76 4.854 -3.642 9.700 1.00 4.22 N ATOM 1170 CA TRP A 76 5.830 -2.543 9.845 1.00 63.14 C ATOM 1171 C TRP A 76 6.137 -1.903 8.465 1.00 74.52 C ATOM 1172 O TRP A 76 6.016 -2.554 7.428 1.00 51.31 O ATOM 1173 CB TRP A 76 7.134 -3.085 10.515 1.00 31.24 C ATOM 1174 CG TRP A 76 7.879 -4.145 9.717 1.00 5.22 C ATOM 1175 CD1 TRP A 76 7.731 -5.516 9.773 1.00 71.11 C ATOM 1176 CD2 TRP A 76 8.902 -3.910 8.735 1.00 21.54 C ATOM 1177 NE1 TRP A 76 8.579 -6.116 8.889 1.00 54.44 N ATOM 1178 CE2 TRP A 76 9.307 -5.157 8.245 1.00 14.41 C ATOM 1179 CE3 TRP A 76 9.506 -2.757 8.220 1.00 72.23 C ATOM 1180 CZ2 TRP A 76 10.285 -5.288 7.274 1.00 4.32 C ATOM 1181 CZ3 TRP A 76 10.477 -2.886 7.253 1.00 63.20 C ATOM 1182 CH2 TRP A 76 10.858 -4.145 6.787 1.00 45.42 C ATOM 0 H TRP A 76 5.064 -4.271 8.925 1.00 4.22 H new ATOM 0 HA TRP A 76 5.406 -1.768 10.483 1.00 63.14 H new ATOM 0 HB2 TRP A 76 7.808 -2.247 10.693 1.00 31.24 H new ATOM 0 HB3 TRP A 76 6.877 -3.500 11.490 1.00 31.24 H new ATOM 0 HD1 TRP A 76 7.044 -6.038 10.422 1.00 71.11 H new ATOM 0 HE1 TRP A 76 8.657 -7.121 8.734 1.00 54.44 H new ATOM 0 HE3 TRP A 76 9.214 -1.780 8.576 1.00 72.23 H new ATOM 0 HZ2 TRP A 76 10.586 -6.260 6.913 1.00 4.32 H new ATOM 0 HZ3 TRP A 76 10.950 -2.002 6.850 1.00 63.20 H new ATOM 0 HH2 TRP A 76 11.621 -4.219 6.026 1.00 45.42 H new ATOM 1193 N TRP A 77 6.526 -0.619 8.472 1.00 21.21 N ATOM 1194 CA TRP A 77 6.999 0.116 7.265 1.00 42.13 C ATOM 1195 C TRP A 77 8.423 0.686 7.467 1.00 55.24 C ATOM 1196 O TRP A 77 8.927 0.752 8.591 1.00 23.14 O ATOM 1197 CB TRP A 77 6.042 1.300 6.933 1.00 51.42 C ATOM 1198 CG TRP A 77 4.776 0.962 6.174 1.00 64.23 C ATOM 1199 CD1 TRP A 77 4.265 -0.270 5.859 1.00 4.42 C ATOM 1200 CD2 TRP A 77 3.877 1.915 5.602 1.00 72.42 C ATOM 1201 NE1 TRP A 77 3.099 -0.127 5.149 1.00 34.21 N ATOM 1202 CE2 TRP A 77 2.848 1.208 4.974 1.00 43.42 C ATOM 1203 CE3 TRP A 77 3.854 3.303 5.570 1.00 74.31 C ATOM 1204 CZ2 TRP A 77 1.802 1.858 4.319 1.00 40.15 C ATOM 1205 CZ3 TRP A 77 2.825 3.942 4.914 1.00 10.50 C ATOM 1206 CH2 TRP A 77 1.813 3.216 4.295 1.00 41.44 C ATOM 0 H TRP A 77 6.525 -0.048 9.317 1.00 21.21 H new ATOM 0 HA TRP A 77 7.012 -0.601 6.444 1.00 42.13 H new ATOM 0 HB2 TRP A 77 5.759 1.781 7.869 1.00 51.42 H new ATOM 0 HB3 TRP A 77 6.600 2.035 6.353 1.00 51.42 H new ATOM 0 HD1 TRP A 77 4.714 -1.214 6.130 1.00 4.42 H new ATOM 0 HE1 TRP A 77 2.515 -0.890 4.808 1.00 34.21 H new ATOM 0 HE3 TRP A 77 4.633 3.874 6.053 1.00 74.31 H new ATOM 0 HZ2 TRP A 77 1.008 1.299 3.846 1.00 40.15 H new ATOM 0 HZ3 TRP A 77 2.804 5.021 4.880 1.00 10.50 H new ATOM 0 HH2 TRP A 77 1.020 3.743 3.785 1.00 41.44 H new ATOM 1217 N GLN A 78 9.052 1.085 6.346 1.00 0.30 N ATOM 1218 CA GLN A 78 10.225 1.984 6.345 1.00 74.43 C ATOM 1219 C GLN A 78 10.208 2.868 5.081 1.00 53.42 C ATOM 1220 O GLN A 78 10.469 2.385 3.979 1.00 72.24 O ATOM 1221 CB GLN A 78 11.570 1.205 6.436 1.00 22.22 C ATOM 1222 CG GLN A 78 12.812 2.133 6.455 1.00 23.02 C ATOM 1223 CD GLN A 78 14.151 1.408 6.607 1.00 74.22 C ATOM 1224 OE1 GLN A 78 14.317 0.269 6.185 1.00 21.14 O ATOM 1225 NE2 GLN A 78 15.115 2.075 7.216 1.00 75.54 N ATOM 0 H GLN A 78 8.762 0.793 5.413 1.00 0.30 H new ATOM 0 HA GLN A 78 10.156 2.610 7.234 1.00 74.43 H new ATOM 0 HB2 GLN A 78 11.568 0.593 7.338 1.00 22.22 H new ATOM 0 HB3 GLN A 78 11.646 0.524 5.589 1.00 22.22 H new ATOM 0 HG2 GLN A 78 12.830 2.711 5.531 1.00 23.02 H new ATOM 0 HG3 GLN A 78 12.705 2.844 7.274 1.00 23.02 H new ATOM 0 HE21 GLN A 78 14.944 3.022 7.556 1.00 75.54 H new ATOM 0 HE22 GLN A 78 16.030 1.643 7.347 1.00 75.54 H new ATOM 1234 N PHE A 79 9.888 4.163 5.258 1.00 44.55 N ATOM 1235 CA PHE A 79 9.926 5.169 4.173 1.00 32.25 C ATOM 1236 C PHE A 79 11.377 5.405 3.694 1.00 14.11 C ATOM 1237 O PHE A 79 12.272 5.625 4.509 1.00 24.33 O ATOM 1238 CB PHE A 79 9.319 6.509 4.646 1.00 24.53 C ATOM 1239 CG PHE A 79 7.855 6.437 5.059 1.00 53.31 C ATOM 1240 CD1 PHE A 79 6.840 6.632 4.124 1.00 14.43 C ATOM 1241 CD2 PHE A 79 7.493 6.199 6.384 1.00 53.21 C ATOM 1242 CE1 PHE A 79 5.518 6.596 4.503 1.00 63.03 C ATOM 1243 CE2 PHE A 79 6.165 6.168 6.763 1.00 13.35 C ATOM 1244 CZ PHE A 79 5.180 6.369 5.823 1.00 13.12 C ATOM 0 H PHE A 79 9.595 4.545 6.157 1.00 44.55 H new ATOM 0 HA PHE A 79 9.334 4.782 3.343 1.00 32.25 H new ATOM 0 HB2 PHE A 79 9.902 6.878 5.490 1.00 24.53 H new ATOM 0 HB3 PHE A 79 9.420 7.241 3.844 1.00 24.53 H new ATOM 0 HD1 PHE A 79 7.094 6.813 3.090 1.00 14.43 H new ATOM 0 HD2 PHE A 79 8.262 6.037 7.125 1.00 53.21 H new ATOM 0 HE1 PHE A 79 4.742 6.746 3.767 1.00 63.03 H new ATOM 0 HE2 PHE A 79 5.900 5.987 7.794 1.00 13.35 H new ATOM 0 HZ PHE A 79 4.141 6.349 6.118 1.00 13.12 H new ATOM 1254 N THR A 80 11.599 5.342 2.374 1.00 12.44 N ATOM 1255 CA THR A 80 12.937 5.538 1.760 1.00 32.34 C ATOM 1256 C THR A 80 13.010 6.831 0.919 1.00 31.53 C ATOM 1257 O THR A 80 14.065 7.463 0.835 1.00 44.30 O ATOM 1258 CB THR A 80 13.287 4.338 0.831 1.00 25.34 C ATOM 1259 OG1 THR A 80 12.388 4.321 -0.291 1.00 70.20 O ATOM 1260 CG2 THR A 80 13.197 2.992 1.572 1.00 31.20 C ATOM 0 H THR A 80 10.862 5.154 1.694 1.00 12.44 H new ATOM 0 HA THR A 80 13.648 5.612 2.583 1.00 32.34 H new ATOM 0 HB THR A 80 14.315 4.469 0.494 1.00 25.34 H new ATOM 0 HG1 THR A 80 12.884 4.089 -1.104 1.00 70.20 H new ATOM 0 HG21 THR A 80 13.449 2.182 0.887 1.00 31.20 H new ATOM 0 HG22 THR A 80 13.895 2.990 2.409 1.00 31.20 H new ATOM 0 HG23 THR A 80 12.183 2.849 1.945 1.00 31.20 H new ATOM 1268 N THR A 81 11.880 7.201 0.286 1.00 11.24 N ATOM 1269 CA THR A 81 11.806 8.348 -0.655 1.00 32.23 C ATOM 1270 C THR A 81 10.420 9.018 -0.579 1.00 73.34 C ATOM 1271 O THR A 81 9.411 8.407 -0.930 1.00 12.14 O ATOM 1272 CB THR A 81 12.088 7.903 -2.137 1.00 44.13 C ATOM 1273 OG1 THR A 81 13.411 7.347 -2.247 1.00 53.21 O ATOM 1274 CG2 THR A 81 11.940 9.054 -3.151 1.00 44.40 C ATOM 0 H THR A 81 10.991 6.717 0.409 1.00 11.24 H new ATOM 0 HA THR A 81 12.575 9.060 -0.357 1.00 32.23 H new ATOM 0 HB THR A 81 11.336 7.152 -2.380 1.00 44.13 H new ATOM 0 HG1 THR A 81 13.574 7.072 -3.173 1.00 53.21 H new ATOM 0 HG21 THR A 81 12.147 8.683 -4.155 1.00 44.40 H new ATOM 0 HG22 THR A 81 10.923 9.445 -3.111 1.00 44.40 H new ATOM 0 HG23 THR A 81 12.645 9.849 -2.905 1.00 44.40 H new ATOM 1282 N ILE A 82 10.373 10.279 -0.111 1.00 52.31 N ATOM 1283 CA ILE A 82 9.125 11.075 -0.051 1.00 4.32 C ATOM 1284 C ILE A 82 9.334 12.413 -0.792 1.00 35.40 C ATOM 1285 O ILE A 82 9.885 13.370 -0.234 1.00 22.23 O ATOM 1286 CB ILE A 82 8.654 11.332 1.434 1.00 22.14 C ATOM 1287 CG1 ILE A 82 8.495 9.977 2.201 1.00 54.13 C ATOM 1288 CG2 ILE A 82 7.336 12.152 1.467 1.00 53.22 C ATOM 1289 CD1 ILE A 82 7.930 10.088 3.601 1.00 53.02 C ATOM 0 H ILE A 82 11.193 10.776 0.236 1.00 52.31 H new ATOM 0 HA ILE A 82 8.336 10.503 -0.539 1.00 4.32 H new ATOM 0 HB ILE A 82 9.421 11.920 1.938 1.00 22.14 H new ATOM 0 HG12 ILE A 82 7.849 9.322 1.617 1.00 54.13 H new ATOM 0 HG13 ILE A 82 9.471 9.494 2.258 1.00 54.13 H new ATOM 0 HG21 ILE A 82 7.034 12.314 2.502 1.00 53.22 H new ATOM 0 HG22 ILE A 82 7.494 13.114 0.980 1.00 53.22 H new ATOM 0 HG23 ILE A 82 6.553 11.604 0.943 1.00 53.22 H new ATOM 0 HD11 ILE A 82 7.860 9.095 4.045 1.00 53.02 H new ATOM 0 HD12 ILE A 82 8.585 10.712 4.209 1.00 53.02 H new ATOM 0 HD13 ILE A 82 6.938 10.537 3.558 1.00 53.02 H new ATOM 1301 N GLU A 83 8.904 12.455 -2.059 1.00 33.44 N ATOM 1302 CA GLU A 83 9.081 13.634 -2.933 1.00 1.54 C ATOM 1303 C GLU A 83 7.884 14.600 -2.811 1.00 62.22 C ATOM 1304 O GLU A 83 8.078 15.803 -2.606 1.00 51.53 O ATOM 1305 CB GLU A 83 9.268 13.173 -4.402 1.00 33.41 C ATOM 1306 CG GLU A 83 10.446 12.198 -4.619 1.00 64.33 C ATOM 1307 CD GLU A 83 11.814 12.793 -4.243 1.00 61.02 C ATOM 1308 OE1 GLU A 83 12.434 13.459 -5.097 1.00 23.11 O ATOM 1309 OE2 GLU A 83 12.276 12.604 -3.093 1.00 75.30 O ATOM 0 H GLU A 83 8.424 11.677 -2.512 1.00 33.44 H new ATOM 0 HA GLU A 83 9.973 14.174 -2.614 1.00 1.54 H new ATOM 0 HB2 GLU A 83 8.349 12.694 -4.740 1.00 33.41 H new ATOM 0 HB3 GLU A 83 9.419 14.051 -5.029 1.00 33.41 H new ATOM 0 HG2 GLU A 83 10.276 11.298 -4.028 1.00 64.33 H new ATOM 0 HG3 GLU A 83 10.467 11.893 -5.665 1.00 64.33 H new ATOM 1316 N ALA A 84 6.659 14.039 -2.953 1.00 22.12 N ATOM 1317 CA ALA A 84 5.373 14.786 -2.887 1.00 54.24 C ATOM 1318 C ALA A 84 5.155 15.750 -4.100 1.00 52.25 C ATOM 1319 O ALA A 84 6.114 16.325 -4.623 1.00 13.21 O ATOM 1320 CB ALA A 84 5.222 15.536 -1.541 1.00 73.35 C ATOM 0 H ALA A 84 6.531 13.041 -3.119 1.00 22.12 H new ATOM 0 HA ALA A 84 4.586 14.034 -2.950 1.00 54.24 H new ATOM 0 HB1 ALA A 84 4.272 16.071 -1.527 1.00 73.35 H new ATOM 0 HB2 ALA A 84 5.247 14.819 -0.720 1.00 73.35 H new ATOM 0 HB3 ALA A 84 6.040 16.247 -1.427 1.00 73.35 H new ATOM 1326 N PRO A 85 3.886 15.956 -4.580 1.00 3.15 N ATOM 1327 CA PRO A 85 2.653 15.290 -4.065 1.00 74.43 C ATOM 1328 C PRO A 85 2.322 13.951 -4.768 1.00 13.11 C ATOM 1329 O PRO A 85 1.208 13.453 -4.647 1.00 61.44 O ATOM 1330 CB PRO A 85 1.586 16.353 -4.389 1.00 42.11 C ATOM 1331 CG PRO A 85 2.027 16.915 -5.712 1.00 33.14 C ATOM 1332 CD PRO A 85 3.550 16.915 -5.676 1.00 54.54 C ATOM 0 HA PRO A 85 2.737 15.008 -3.015 1.00 74.43 H new ATOM 0 HB2 PRO A 85 0.591 15.914 -4.453 1.00 42.11 H new ATOM 0 HB3 PRO A 85 1.545 17.125 -3.621 1.00 42.11 H new ATOM 0 HG2 PRO A 85 1.655 16.308 -6.538 1.00 33.14 H new ATOM 0 HG3 PRO A 85 1.639 17.923 -5.857 1.00 33.14 H new ATOM 0 HD2 PRO A 85 3.972 16.596 -6.629 1.00 54.54 H new ATOM 0 HD3 PRO A 85 3.944 17.910 -5.470 1.00 54.54 H new ATOM 1340 N ASP A 86 3.299 13.368 -5.479 1.00 15.12 N ATOM 1341 CA ASP A 86 3.065 12.224 -6.384 1.00 35.13 C ATOM 1342 C ASP A 86 3.933 10.981 -6.037 1.00 72.45 C ATOM 1343 O ASP A 86 3.412 9.869 -5.923 1.00 5.43 O ATOM 1344 CB ASP A 86 3.299 12.692 -7.848 1.00 21.05 C ATOM 1345 CG ASP A 86 4.743 13.148 -8.158 1.00 4.52 C ATOM 1346 OD1 ASP A 86 5.366 13.847 -7.322 1.00 24.12 O ATOM 1347 OD2 ASP A 86 5.269 12.800 -9.233 1.00 2.25 O ATOM 0 H ASP A 86 4.272 13.672 -5.446 1.00 15.12 H new ATOM 0 HA ASP A 86 2.033 11.895 -6.258 1.00 35.13 H new ATOM 0 HB2 ASP A 86 3.038 11.876 -8.522 1.00 21.05 H new ATOM 0 HB3 ASP A 86 2.618 13.515 -8.065 1.00 21.05 H new ATOM 1352 N HIS A 87 5.256 11.175 -5.874 1.00 21.33 N ATOM 1353 CA HIS A 87 6.223 10.063 -5.713 1.00 60.45 C ATOM 1354 C HIS A 87 6.444 9.715 -4.215 1.00 12.04 C ATOM 1355 O HIS A 87 6.919 10.538 -3.425 1.00 10.12 O ATOM 1356 CB HIS A 87 7.561 10.432 -6.414 1.00 32.10 C ATOM 1357 CG HIS A 87 8.595 9.323 -6.527 1.00 42.32 C ATOM 1358 ND1 HIS A 87 9.795 9.495 -7.187 1.00 11.31 N ATOM 1359 CD2 HIS A 87 8.612 8.031 -6.091 1.00 50.42 C ATOM 1360 CE1 HIS A 87 10.491 8.378 -7.151 1.00 13.22 C ATOM 1361 NE2 HIS A 87 9.800 7.478 -6.492 1.00 24.01 N ATOM 0 H HIS A 87 5.686 12.100 -5.850 1.00 21.33 H new ATOM 0 HA HIS A 87 5.813 9.171 -6.186 1.00 60.45 H new ATOM 0 HB2 HIS A 87 7.333 10.790 -7.418 1.00 32.10 H new ATOM 0 HB3 HIS A 87 8.011 11.265 -5.874 1.00 32.10 H new ATOM 0 HD2 HIS A 87 7.832 7.535 -5.532 1.00 50.42 H new ATOM 0 HE1 HIS A 87 11.466 8.228 -7.590 1.00 13.22 H new ATOM 0 HE2 HIS A 87 10.099 6.520 -6.308 1.00 24.01 H new ATOM 1370 N LEU A 88 6.103 8.465 -3.867 1.00 51.52 N ATOM 1371 CA LEU A 88 6.320 7.864 -2.536 1.00 74.23 C ATOM 1372 C LEU A 88 7.003 6.493 -2.702 1.00 52.10 C ATOM 1373 O LEU A 88 6.711 5.763 -3.652 1.00 52.12 O ATOM 1374 CB LEU A 88 4.963 7.699 -1.795 1.00 71.32 C ATOM 1375 CG LEU A 88 5.012 7.064 -0.366 1.00 41.42 C ATOM 1376 CD1 LEU A 88 5.880 7.898 0.598 1.00 44.52 C ATOM 1377 CD2 LEU A 88 3.592 6.860 0.199 1.00 35.31 C ATOM 0 H LEU A 88 5.655 7.823 -4.521 1.00 51.52 H new ATOM 0 HA LEU A 88 6.960 8.518 -1.944 1.00 74.23 H new ATOM 0 HB2 LEU A 88 4.498 8.682 -1.714 1.00 71.32 H new ATOM 0 HB3 LEU A 88 4.309 7.087 -2.416 1.00 71.32 H new ATOM 0 HG LEU A 88 5.481 6.084 -0.460 1.00 41.42 H new ATOM 0 HD11 LEU A 88 5.890 7.425 1.580 1.00 44.52 H new ATOM 0 HD12 LEU A 88 6.898 7.956 0.213 1.00 44.52 H new ATOM 0 HD13 LEU A 88 5.466 8.903 0.683 1.00 44.52 H new ATOM 0 HD21 LEU A 88 3.656 6.417 1.193 1.00 35.31 H new ATOM 0 HD22 LEU A 88 3.084 7.822 0.262 1.00 35.31 H new ATOM 0 HD23 LEU A 88 3.031 6.196 -0.458 1.00 35.31 H new ATOM 1389 N GLU A 89 7.942 6.170 -1.801 1.00 70.12 N ATOM 1390 CA GLU A 89 8.584 4.843 -1.713 1.00 75.20 C ATOM 1391 C GLU A 89 8.762 4.449 -0.240 1.00 2.44 C ATOM 1392 O GLU A 89 9.150 5.279 0.599 1.00 63.20 O ATOM 1393 CB GLU A 89 9.967 4.809 -2.416 1.00 5.02 C ATOM 1394 CG GLU A 89 9.933 4.984 -3.942 1.00 40.32 C ATOM 1395 CD GLU A 89 11.311 4.826 -4.604 1.00 32.54 C ATOM 1396 OE1 GLU A 89 11.812 3.678 -4.678 1.00 74.30 O ATOM 1397 OE2 GLU A 89 11.894 5.837 -5.052 1.00 43.12 O ATOM 0 H GLU A 89 8.284 6.829 -1.102 1.00 70.12 H new ATOM 0 HA GLU A 89 7.931 4.135 -2.223 1.00 75.20 H new ATOM 0 HB2 GLU A 89 10.592 5.595 -1.991 1.00 5.02 H new ATOM 0 HB3 GLU A 89 10.449 3.859 -2.187 1.00 5.02 H new ATOM 0 HG2 GLU A 89 9.247 4.253 -4.369 1.00 40.32 H new ATOM 0 HG3 GLU A 89 9.535 5.971 -4.179 1.00 40.32 H new ATOM 1404 N PHE A 90 8.481 3.177 0.051 1.00 33.31 N ATOM 1405 CA PHE A 90 8.650 2.584 1.385 1.00 63.42 C ATOM 1406 C PHE A 90 8.784 1.056 1.272 1.00 41.12 C ATOM 1407 O PHE A 90 8.639 0.494 0.187 1.00 20.43 O ATOM 1408 CB PHE A 90 7.470 2.980 2.333 1.00 63.40 C ATOM 1409 CG PHE A 90 6.078 2.565 1.851 1.00 11.03 C ATOM 1410 CD1 PHE A 90 5.532 1.325 2.195 1.00 71.04 C ATOM 1411 CD2 PHE A 90 5.313 3.420 1.055 1.00 4.10 C ATOM 1412 CE1 PHE A 90 4.273 0.961 1.760 1.00 52.22 C ATOM 1413 CE2 PHE A 90 4.055 3.052 0.623 1.00 3.53 C ATOM 1414 CZ PHE A 90 3.536 1.824 0.975 1.00 53.53 C ATOM 0 H PHE A 90 8.124 2.518 -0.641 1.00 33.31 H new ATOM 0 HA PHE A 90 9.566 2.979 1.825 1.00 63.42 H new ATOM 0 HB2 PHE A 90 7.646 2.533 3.312 1.00 63.40 H new ATOM 0 HB3 PHE A 90 7.482 4.061 2.469 1.00 63.40 H new ATOM 0 HD1 PHE A 90 6.102 0.643 2.809 1.00 71.04 H new ATOM 0 HD2 PHE A 90 5.712 4.383 0.773 1.00 4.10 H new ATOM 0 HE1 PHE A 90 3.865 -0.000 2.035 1.00 52.22 H new ATOM 0 HE2 PHE A 90 3.477 3.726 0.009 1.00 3.53 H new ATOM 0 HZ PHE A 90 2.552 1.537 0.636 1.00 53.53 H new ATOM 1424 N ASP A 91 9.063 0.398 2.398 1.00 21.42 N ATOM 1425 CA ASP A 91 9.113 -1.065 2.488 1.00 12.12 C ATOM 1426 C ASP A 91 7.938 -1.573 3.331 1.00 53.13 C ATOM 1427 O ASP A 91 7.955 -1.454 4.561 1.00 1.34 O ATOM 1428 CB ASP A 91 10.456 -1.524 3.091 1.00 51.24 C ATOM 1429 CG ASP A 91 11.632 -1.206 2.162 1.00 41.04 C ATOM 1430 OD1 ASP A 91 12.216 -0.108 2.268 1.00 34.44 O ATOM 1431 OD2 ASP A 91 11.945 -2.029 1.278 1.00 11.51 O ATOM 0 H ASP A 91 9.262 0.868 3.281 1.00 21.42 H new ATOM 0 HA ASP A 91 9.033 -1.485 1.485 1.00 12.12 H new ATOM 0 HB2 ASP A 91 10.609 -1.035 4.053 1.00 51.24 H new ATOM 0 HB3 ASP A 91 10.422 -2.597 3.281 1.00 51.24 H new ATOM 1436 N ASP A 92 6.904 -2.088 2.649 1.00 44.14 N ATOM 1437 CA ASP A 92 5.772 -2.757 3.296 1.00 33.24 C ATOM 1438 C ASP A 92 6.224 -4.160 3.758 1.00 53.54 C ATOM 1439 O ASP A 92 6.448 -5.058 2.941 1.00 21.02 O ATOM 1440 CB ASP A 92 4.567 -2.848 2.326 1.00 44.11 C ATOM 1441 CG ASP A 92 3.310 -3.437 2.995 1.00 1.05 C ATOM 1442 OD1 ASP A 92 2.647 -2.708 3.764 1.00 21.35 O ATOM 1443 OD2 ASP A 92 3.001 -4.636 2.785 1.00 1.51 O ATOM 0 H ASP A 92 6.832 -2.051 1.632 1.00 44.14 H new ATOM 0 HA ASP A 92 5.448 -2.181 4.163 1.00 33.24 H new ATOM 0 HB2 ASP A 92 4.338 -1.854 1.943 1.00 44.11 H new ATOM 0 HB3 ASP A 92 4.841 -3.464 1.470 1.00 44.11 H new ATOM 1448 N GLY A 93 6.428 -4.308 5.065 1.00 1.13 N ATOM 1449 CA GLY A 93 6.838 -5.576 5.658 1.00 74.41 C ATOM 1450 C GLY A 93 5.787 -6.132 6.606 1.00 42.14 C ATOM 1451 O GLY A 93 5.093 -5.378 7.296 1.00 55.04 O ATOM 0 H GLY A 93 6.314 -3.553 5.741 1.00 1.13 H new ATOM 0 HA2 GLY A 93 7.031 -6.300 4.866 1.00 74.41 H new ATOM 0 HA3 GLY A 93 7.775 -5.437 6.198 1.00 74.41 H new ATOM 1455 N PHE A 94 5.675 -7.458 6.648 1.00 63.42 N ATOM 1456 CA PHE A 94 4.799 -8.168 7.592 1.00 14.40 C ATOM 1457 C PHE A 94 5.603 -8.524 8.846 1.00 61.40 C ATOM 1458 O PHE A 94 6.799 -8.804 8.759 1.00 73.43 O ATOM 1459 CB PHE A 94 4.202 -9.436 6.928 1.00 25.10 C ATOM 1460 CG PHE A 94 3.227 -9.116 5.791 1.00 51.32 C ATOM 1461 CD1 PHE A 94 1.896 -8.795 6.068 1.00 55.14 C ATOM 1462 CD2 PHE A 94 3.641 -9.108 4.456 1.00 70.43 C ATOM 1463 CE1 PHE A 94 1.012 -8.484 5.051 1.00 33.32 C ATOM 1464 CE2 PHE A 94 2.755 -8.793 3.441 1.00 61.20 C ATOM 1465 CZ PHE A 94 1.441 -8.482 3.737 1.00 4.50 C ATOM 0 H PHE A 94 6.191 -8.079 6.025 1.00 63.42 H new ATOM 0 HA PHE A 94 3.966 -7.526 7.877 1.00 14.40 H new ATOM 0 HB2 PHE A 94 5.013 -10.052 6.540 1.00 25.10 H new ATOM 0 HB3 PHE A 94 3.687 -10.027 7.685 1.00 25.10 H new ATOM 0 HD1 PHE A 94 1.552 -8.790 7.092 1.00 55.14 H new ATOM 0 HD2 PHE A 94 4.665 -9.351 4.214 1.00 70.43 H new ATOM 0 HE1 PHE A 94 -0.015 -8.242 5.284 1.00 33.32 H new ATOM 0 HE2 PHE A 94 3.091 -8.790 2.415 1.00 61.20 H new ATOM 0 HZ PHE A 94 0.751 -8.238 2.943 1.00 4.50 H new ATOM 1475 N ALA A 95 4.942 -8.492 10.005 1.00 54.24 N ATOM 1476 CA ALA A 95 5.575 -8.764 11.307 1.00 3.22 C ATOM 1477 C ALA A 95 4.774 -9.817 12.089 1.00 4.25 C ATOM 1478 O ALA A 95 3.542 -9.839 12.033 1.00 34.02 O ATOM 1479 CB ALA A 95 5.699 -7.471 12.114 1.00 4.55 C ATOM 0 H ALA A 95 3.947 -8.276 10.072 1.00 54.24 H new ATOM 0 HA ALA A 95 6.575 -9.161 11.131 1.00 3.22 H new ATOM 0 HB1 ALA A 95 6.168 -7.685 13.074 1.00 4.55 H new ATOM 0 HB2 ALA A 95 6.310 -6.755 11.563 1.00 4.55 H new ATOM 0 HB3 ALA A 95 4.708 -7.050 12.281 1.00 4.55 H new ATOM 1485 N ASP A 96 5.498 -10.690 12.797 1.00 64.11 N ATOM 1486 CA ASP A 96 4.896 -11.778 13.600 1.00 33.01 C ATOM 1487 C ASP A 96 4.020 -11.204 14.746 1.00 31.43 C ATOM 1488 O ASP A 96 2.784 -11.275 14.701 1.00 62.33 O ATOM 1489 CB ASP A 96 6.014 -12.696 14.157 1.00 2.32 C ATOM 1490 CG ASP A 96 6.894 -13.278 13.040 1.00 30.25 C ATOM 1491 OD1 ASP A 96 6.547 -14.348 12.496 1.00 24.13 O ATOM 1492 OD2 ASP A 96 7.923 -12.658 12.688 1.00 20.54 O ATOM 0 H ASP A 96 6.517 -10.669 12.835 1.00 64.11 H new ATOM 0 HA ASP A 96 4.244 -12.371 12.958 1.00 33.01 H new ATOM 0 HB2 ASP A 96 6.636 -12.129 14.850 1.00 2.32 H new ATOM 0 HB3 ASP A 96 5.564 -13.510 14.725 1.00 2.32 H new ATOM 1497 N GLU A 97 4.688 -10.623 15.755 1.00 1.33 N ATOM 1498 CA GLU A 97 4.025 -9.921 16.879 1.00 33.31 C ATOM 1499 C GLU A 97 4.953 -8.837 17.487 1.00 12.11 C ATOM 1500 O GLU A 97 4.487 -7.767 17.891 1.00 14.40 O ATOM 1501 CB GLU A 97 3.598 -10.949 17.966 1.00 73.23 C ATOM 1502 CG GLU A 97 4.759 -11.792 18.544 1.00 72.12 C ATOM 1503 CD GLU A 97 4.319 -12.813 19.602 1.00 24.34 C ATOM 1504 OE1 GLU A 97 3.947 -12.395 20.720 1.00 23.31 O ATOM 1505 OE2 GLU A 97 4.354 -14.032 19.330 1.00 24.40 O ATOM 0 H GLU A 97 5.706 -10.624 15.820 1.00 1.33 H new ATOM 0 HA GLU A 97 3.136 -9.419 16.496 1.00 33.31 H new ATOM 0 HB2 GLU A 97 3.112 -10.415 18.783 1.00 73.23 H new ATOM 0 HB3 GLU A 97 2.855 -11.622 17.539 1.00 73.23 H new ATOM 0 HG2 GLU A 97 5.254 -12.319 17.728 1.00 72.12 H new ATOM 0 HG3 GLU A 97 5.497 -11.122 18.985 1.00 72.12 H new ATOM 1512 N HIS A 98 6.275 -9.119 17.523 1.00 32.11 N ATOM 1513 CA HIS A 98 7.280 -8.242 18.182 1.00 4.41 C ATOM 1514 C HIS A 98 7.801 -7.119 17.245 1.00 72.32 C ATOM 1515 O HIS A 98 8.727 -6.391 17.609 1.00 44.24 O ATOM 1516 CB HIS A 98 8.471 -9.106 18.697 1.00 63.53 C ATOM 1517 CG HIS A 98 8.083 -10.227 19.629 1.00 73.14 C ATOM 1518 ND1 HIS A 98 7.459 -10.021 20.842 1.00 52.35 N ATOM 1519 CD2 HIS A 98 8.228 -11.574 19.518 1.00 33.14 C ATOM 1520 CE1 HIS A 98 7.241 -11.180 21.431 1.00 4.31 C ATOM 1521 NE2 HIS A 98 7.697 -12.136 20.651 1.00 21.14 N ATOM 0 H HIS A 98 6.678 -9.955 17.100 1.00 32.11 H new ATOM 0 HA HIS A 98 6.784 -7.751 19.019 1.00 4.41 H new ATOM 0 HB2 HIS A 98 8.992 -9.530 17.838 1.00 63.53 H new ATOM 0 HB3 HIS A 98 9.179 -8.455 19.210 1.00 63.53 H new ATOM 0 HD2 HIS A 98 8.678 -12.103 18.691 1.00 33.14 H new ATOM 0 HE1 HIS A 98 6.768 -11.321 22.392 1.00 4.31 H new ATOM 0 HE2 HIS A 98 7.661 -13.135 20.856 1.00 21.14 H new ATOM 1530 N GLY A 99 7.185 -6.972 16.056 1.00 72.44 N ATOM 1531 CA GLY A 99 7.693 -6.049 15.025 1.00 15.25 C ATOM 1532 C GLY A 99 8.796 -6.656 14.149 1.00 62.10 C ATOM 1533 O GLY A 99 9.270 -6.016 13.205 1.00 32.44 O ATOM 0 H GLY A 99 6.341 -7.477 15.788 1.00 72.44 H new ATOM 0 HA2 GLY A 99 6.865 -5.737 14.388 1.00 15.25 H new ATOM 0 HA3 GLY A 99 8.078 -5.152 15.510 1.00 15.25 H new ATOM 1537 N ALA A 100 9.181 -7.911 14.459 1.00 33.11 N ATOM 1538 CA ALA A 100 10.198 -8.662 13.707 1.00 44.44 C ATOM 1539 C ALA A 100 9.589 -9.179 12.383 1.00 0.24 C ATOM 1540 O ALA A 100 8.476 -9.717 12.410 1.00 62.41 O ATOM 1541 CB ALA A 100 10.731 -9.825 14.565 1.00 14.13 C ATOM 0 H ALA A 100 8.790 -8.432 15.244 1.00 33.11 H new ATOM 0 HA ALA A 100 11.035 -8.007 13.467 1.00 44.44 H new ATOM 0 HB1 ALA A 100 11.484 -10.377 14.002 1.00 14.13 H new ATOM 0 HB2 ALA A 100 11.178 -9.429 15.477 1.00 14.13 H new ATOM 0 HB3 ALA A 100 9.909 -10.493 14.824 1.00 14.13 H new ATOM 1547 N PRO A 101 10.284 -9.004 11.211 1.00 52.54 N ATOM 1548 CA PRO A 101 9.744 -9.425 9.892 1.00 53.40 C ATOM 1549 C PRO A 101 9.464 -10.949 9.802 1.00 72.05 C ATOM 1550 O PRO A 101 10.303 -11.765 10.198 1.00 51.41 O ATOM 1551 CB PRO A 101 10.850 -8.991 8.881 1.00 44.12 C ATOM 1552 CG PRO A 101 11.652 -7.956 9.616 1.00 54.31 C ATOM 1553 CD PRO A 101 11.632 -8.388 11.066 1.00 31.32 C ATOM 0 HA PRO A 101 8.774 -8.968 9.695 1.00 53.40 H new ATOM 0 HB2 PRO A 101 11.471 -9.837 8.586 1.00 44.12 H new ATOM 0 HB3 PRO A 101 10.415 -8.581 7.969 1.00 44.12 H new ATOM 0 HG2 PRO A 101 12.672 -7.906 9.235 1.00 54.31 H new ATOM 0 HG3 PRO A 101 11.217 -6.964 9.496 1.00 54.31 H new ATOM 0 HD2 PRO A 101 12.427 -9.100 11.286 1.00 31.32 H new ATOM 0 HD3 PRO A 101 11.765 -7.543 11.741 1.00 31.32 H new ATOM 1561 N VAL A 102 8.261 -11.306 9.312 1.00 42.34 N ATOM 1562 CA VAL A 102 7.876 -12.706 9.028 1.00 3.43 C ATOM 1563 C VAL A 102 8.833 -13.329 7.981 1.00 44.04 C ATOM 1564 O VAL A 102 9.055 -12.752 6.916 1.00 2.31 O ATOM 1565 CB VAL A 102 6.383 -12.788 8.527 1.00 43.13 C ATOM 1566 CG1 VAL A 102 5.977 -14.226 8.107 1.00 11.24 C ATOM 1567 CG2 VAL A 102 5.416 -12.249 9.604 1.00 45.54 C ATOM 0 H VAL A 102 7.526 -10.631 9.101 1.00 42.34 H new ATOM 0 HA VAL A 102 7.956 -13.275 9.954 1.00 3.43 H new ATOM 0 HB VAL A 102 6.312 -12.161 7.638 1.00 43.13 H new ATOM 0 HG11 VAL A 102 4.940 -14.228 7.770 1.00 11.24 H new ATOM 0 HG12 VAL A 102 6.622 -14.564 7.296 1.00 11.24 H new ATOM 0 HG13 VAL A 102 6.083 -14.897 8.959 1.00 11.24 H new ATOM 0 HG21 VAL A 102 4.391 -12.314 9.238 1.00 45.54 H new ATOM 0 HG22 VAL A 102 5.516 -12.843 10.513 1.00 45.54 H new ATOM 0 HG23 VAL A 102 5.658 -11.209 9.822 1.00 45.54 H new ATOM 1577 N ASP A 103 9.378 -14.510 8.304 1.00 55.03 N ATOM 1578 CA ASP A 103 10.410 -15.194 7.492 1.00 20.51 C ATOM 1579 C ASP A 103 9.819 -15.702 6.151 1.00 62.43 C ATOM 1580 O ASP A 103 10.482 -15.672 5.109 1.00 63.20 O ATOM 1581 CB ASP A 103 10.997 -16.361 8.328 1.00 73.10 C ATOM 1582 CG ASP A 103 12.150 -17.110 7.644 1.00 14.45 C ATOM 1583 OD1 ASP A 103 13.257 -16.535 7.530 1.00 11.32 O ATOM 1584 OD2 ASP A 103 11.953 -18.264 7.207 1.00 2.13 O ATOM 0 H ASP A 103 9.116 -15.027 9.143 1.00 55.03 H new ATOM 0 HA ASP A 103 11.205 -14.492 7.239 1.00 20.51 H new ATOM 0 HB2 ASP A 103 11.349 -15.968 9.282 1.00 73.10 H new ATOM 0 HB3 ASP A 103 10.200 -17.070 8.551 1.00 73.10 H new ATOM 1589 N GLU A 104 8.559 -16.149 6.221 1.00 43.13 N ATOM 1590 CA GLU A 104 7.792 -16.645 5.066 1.00 14.10 C ATOM 1591 C GLU A 104 7.411 -15.503 4.078 1.00 62.43 C ATOM 1592 O GLU A 104 7.748 -15.557 2.891 1.00 2.24 O ATOM 1593 CB GLU A 104 6.519 -17.357 5.599 1.00 21.01 C ATOM 1594 CG GLU A 104 5.563 -17.890 4.518 1.00 34.41 C ATOM 1595 CD GLU A 104 4.309 -18.546 5.116 1.00 32.12 C ATOM 1596 OE1 GLU A 104 3.457 -17.810 5.666 1.00 41.43 O ATOM 1597 OE2 GLU A 104 4.162 -19.785 5.037 1.00 43.24 O ATOM 0 H GLU A 104 8.033 -16.178 7.095 1.00 43.13 H new ATOM 0 HA GLU A 104 8.412 -17.343 4.503 1.00 14.10 H new ATOM 0 HB2 GLU A 104 6.826 -18.190 6.232 1.00 21.01 H new ATOM 0 HB3 GLU A 104 5.971 -16.660 6.233 1.00 21.01 H new ATOM 0 HG2 GLU A 104 5.264 -17.070 3.865 1.00 34.41 H new ATOM 0 HG3 GLU A 104 6.089 -18.616 3.898 1.00 34.41 H new ATOM 1604 N LEU A 105 6.729 -14.465 4.597 1.00 44.15 N ATOM 1605 CA LEU A 105 6.140 -13.380 3.769 1.00 1.54 C ATOM 1606 C LEU A 105 7.175 -12.295 3.393 1.00 13.41 C ATOM 1607 O LEU A 105 6.961 -11.548 2.440 1.00 73.31 O ATOM 1608 CB LEU A 105 4.932 -12.747 4.512 1.00 41.21 C ATOM 1609 CG LEU A 105 3.798 -13.743 4.929 1.00 34.55 C ATOM 1610 CD1 LEU A 105 2.638 -13.007 5.636 1.00 63.15 C ATOM 1611 CD2 LEU A 105 3.295 -14.565 3.719 1.00 11.42 C ATOM 0 H LEU A 105 6.568 -14.349 5.597 1.00 44.15 H new ATOM 0 HA LEU A 105 5.801 -13.828 2.835 1.00 1.54 H new ATOM 0 HB2 LEU A 105 5.300 -12.248 5.408 1.00 41.21 H new ATOM 0 HB3 LEU A 105 4.498 -11.977 3.874 1.00 41.21 H new ATOM 0 HG LEU A 105 4.224 -14.446 5.644 1.00 34.55 H new ATOM 0 HD11 LEU A 105 1.867 -13.725 5.913 1.00 63.15 H new ATOM 0 HD12 LEU A 105 3.013 -12.513 6.532 1.00 63.15 H new ATOM 0 HD13 LEU A 105 2.215 -12.262 4.962 1.00 63.15 H new ATOM 0 HD21 LEU A 105 2.508 -15.246 4.044 1.00 11.42 H new ATOM 0 HD22 LEU A 105 2.900 -13.890 2.960 1.00 11.42 H new ATOM 0 HD23 LEU A 105 4.122 -15.139 3.300 1.00 11.42 H new ATOM 1623 N GLY A 106 8.261 -12.196 4.187 1.00 30.52 N ATOM 1624 CA GLY A 106 9.425 -11.349 3.863 1.00 55.13 C ATOM 1625 C GLY A 106 9.172 -9.829 3.873 1.00 52.31 C ATOM 1626 O GLY A 106 8.237 -9.335 4.515 1.00 1.23 O ATOM 0 H GLY A 106 8.355 -12.700 5.069 1.00 30.52 H new ATOM 0 HA2 GLY A 106 10.221 -11.570 4.574 1.00 55.13 H new ATOM 0 HA3 GLY A 106 9.792 -11.631 2.876 1.00 55.13 H new ATOM 1630 N VAL A 107 10.053 -9.095 3.160 1.00 11.22 N ATOM 1631 CA VAL A 107 9.998 -7.619 3.003 1.00 33.25 C ATOM 1632 C VAL A 107 9.727 -7.270 1.522 1.00 24.14 C ATOM 1633 O VAL A 107 10.308 -7.895 0.633 1.00 1.34 O ATOM 1634 CB VAL A 107 11.365 -6.953 3.438 1.00 41.32 C ATOM 1635 CG1 VAL A 107 11.289 -5.402 3.373 1.00 70.53 C ATOM 1636 CG2 VAL A 107 11.801 -7.439 4.844 1.00 34.03 C ATOM 0 H VAL A 107 10.839 -9.517 2.666 1.00 11.22 H new ATOM 0 HA VAL A 107 9.199 -7.237 3.639 1.00 33.25 H new ATOM 0 HB VAL A 107 12.127 -7.271 2.726 1.00 41.32 H new ATOM 0 HG11 VAL A 107 12.245 -4.978 3.678 1.00 70.53 H new ATOM 0 HG12 VAL A 107 11.063 -5.091 2.353 1.00 70.53 H new ATOM 0 HG13 VAL A 107 10.505 -5.048 4.042 1.00 70.53 H new ATOM 0 HG21 VAL A 107 12.744 -6.965 5.117 1.00 34.03 H new ATOM 0 HG22 VAL A 107 11.037 -7.173 5.574 1.00 34.03 H new ATOM 0 HG23 VAL A 107 11.930 -8.521 4.831 1.00 34.03 H new ATOM 1646 N THR A 108 8.844 -6.301 1.246 1.00 22.22 N ATOM 1647 CA THR A 108 8.615 -5.819 -0.137 1.00 43.04 C ATOM 1648 C THR A 108 8.570 -4.282 -0.203 1.00 2.33 C ATOM 1649 O THR A 108 7.940 -3.632 0.625 1.00 65.24 O ATOM 1650 CB THR A 108 7.332 -6.431 -0.778 1.00 65.22 C ATOM 1651 OG1 THR A 108 7.156 -5.897 -2.101 1.00 31.15 O ATOM 1652 CG2 THR A 108 6.054 -6.210 0.060 1.00 12.30 C ATOM 0 H THR A 108 8.276 -5.833 1.952 1.00 22.22 H new ATOM 0 HA THR A 108 9.468 -6.163 -0.723 1.00 43.04 H new ATOM 0 HB THR A 108 7.483 -7.510 -0.818 1.00 65.22 H new ATOM 0 HG1 THR A 108 6.269 -5.487 -2.173 1.00 31.15 H new ATOM 0 HG21 THR A 108 5.203 -6.663 -0.448 1.00 12.30 H new ATOM 0 HG22 THR A 108 6.178 -6.670 1.040 1.00 12.30 H new ATOM 0 HG23 THR A 108 5.878 -5.141 0.180 1.00 12.30 H new ATOM 1660 N HIS A 109 9.252 -3.717 -1.206 1.00 51.55 N ATOM 1661 CA HIS A 109 9.381 -2.264 -1.381 1.00 51.43 C ATOM 1662 C HIS A 109 8.254 -1.717 -2.295 1.00 34.14 C ATOM 1663 O HIS A 109 8.315 -1.842 -3.519 1.00 63.11 O ATOM 1664 CB HIS A 109 10.779 -1.936 -1.957 1.00 24.53 C ATOM 1665 CG HIS A 109 11.106 -0.467 -1.993 1.00 13.34 C ATOM 1666 ND1 HIS A 109 11.735 0.179 -0.962 1.00 43.54 N ATOM 1667 CD2 HIS A 109 10.877 0.486 -2.929 1.00 23.23 C ATOM 1668 CE1 HIS A 109 11.880 1.445 -1.267 1.00 45.51 C ATOM 1669 NE2 HIS A 109 11.375 1.659 -2.450 1.00 71.01 N ATOM 0 H HIS A 109 9.733 -4.258 -1.924 1.00 51.55 H new ATOM 0 HA HIS A 109 9.279 -1.776 -0.412 1.00 51.43 H new ATOM 0 HB2 HIS A 109 11.534 -2.450 -1.362 1.00 24.53 H new ATOM 0 HB3 HIS A 109 10.845 -2.336 -2.969 1.00 24.53 H new ATOM 0 HD1 HIS A 109 12.042 -0.257 -0.093 1.00 43.54 H new ATOM 0 HD2 HIS A 109 10.389 0.341 -3.881 1.00 23.23 H new ATOM 0 HE1 HIS A 109 12.344 2.192 -0.639 1.00 45.51 H new ATOM 1678 N ALA A 110 7.245 -1.082 -1.681 1.00 32.42 N ATOM 1679 CA ALA A 110 6.078 -0.530 -2.397 1.00 21.05 C ATOM 1680 C ALA A 110 6.346 0.927 -2.846 1.00 63.52 C ATOM 1681 O ALA A 110 6.631 1.803 -2.019 1.00 10.20 O ATOM 1682 CB ALA A 110 4.828 -0.616 -1.509 1.00 2.32 C ATOM 0 H ALA A 110 7.212 -0.935 -0.672 1.00 32.42 H new ATOM 0 HA ALA A 110 5.904 -1.124 -3.295 1.00 21.05 H new ATOM 0 HB1 ALA A 110 3.972 -0.207 -2.045 1.00 2.32 H new ATOM 0 HB2 ALA A 110 4.633 -1.658 -1.255 1.00 2.32 H new ATOM 0 HB3 ALA A 110 4.991 -0.045 -0.595 1.00 2.32 H new ATOM 1688 N THR A 111 6.239 1.170 -4.163 1.00 24.34 N ATOM 1689 CA THR A 111 6.478 2.493 -4.784 1.00 32.32 C ATOM 1690 C THR A 111 5.136 3.067 -5.287 1.00 14.35 C ATOM 1691 O THR A 111 4.576 2.586 -6.270 1.00 4.35 O ATOM 1692 CB THR A 111 7.495 2.390 -5.983 1.00 21.42 C ATOM 1693 OG1 THR A 111 8.744 1.841 -5.524 1.00 42.34 O ATOM 1694 CG2 THR A 111 7.759 3.756 -6.647 1.00 71.53 C ATOM 0 H THR A 111 5.982 0.449 -4.837 1.00 24.34 H new ATOM 0 HA THR A 111 6.911 3.153 -4.033 1.00 32.32 H new ATOM 0 HB THR A 111 7.043 1.735 -6.728 1.00 21.42 H new ATOM 0 HG1 THR A 111 9.370 1.779 -6.276 1.00 42.34 H new ATOM 0 HG21 THR A 111 8.466 3.631 -7.467 1.00 71.53 H new ATOM 0 HG22 THR A 111 6.823 4.160 -7.033 1.00 71.53 H new ATOM 0 HG23 THR A 111 8.175 4.444 -5.911 1.00 71.53 H new ATOM 1702 N VAL A 112 4.627 4.097 -4.606 1.00 5.33 N ATOM 1703 CA VAL A 112 3.337 4.740 -4.937 1.00 31.31 C ATOM 1704 C VAL A 112 3.576 5.986 -5.813 1.00 34.12 C ATOM 1705 O VAL A 112 4.146 6.973 -5.350 1.00 34.02 O ATOM 1706 CB VAL A 112 2.565 5.149 -3.632 1.00 35.34 C ATOM 1707 CG1 VAL A 112 1.178 5.761 -3.968 1.00 63.55 C ATOM 1708 CG2 VAL A 112 2.438 3.939 -2.669 1.00 2.43 C ATOM 0 H VAL A 112 5.096 4.516 -3.803 1.00 5.33 H new ATOM 0 HA VAL A 112 2.730 4.022 -5.488 1.00 31.31 H new ATOM 0 HB VAL A 112 3.142 5.920 -3.122 1.00 35.34 H new ATOM 0 HG11 VAL A 112 0.667 6.034 -3.045 1.00 63.55 H new ATOM 0 HG12 VAL A 112 1.312 6.649 -4.585 1.00 63.55 H new ATOM 0 HG13 VAL A 112 0.579 5.029 -4.511 1.00 63.55 H new ATOM 0 HG21 VAL A 112 1.900 4.243 -1.771 1.00 2.43 H new ATOM 0 HG22 VAL A 112 1.892 3.136 -3.164 1.00 2.43 H new ATOM 0 HG23 VAL A 112 3.432 3.587 -2.394 1.00 2.43 H new ATOM 1718 N LYS A 113 3.155 5.932 -7.086 1.00 63.43 N ATOM 1719 CA LYS A 113 3.367 7.030 -8.056 1.00 64.21 C ATOM 1720 C LYS A 113 2.015 7.550 -8.590 1.00 13.05 C ATOM 1721 O LYS A 113 1.278 6.821 -9.266 1.00 65.10 O ATOM 1722 CB LYS A 113 4.275 6.534 -9.215 1.00 33.34 C ATOM 1723 CG LYS A 113 5.621 5.939 -8.738 1.00 64.35 C ATOM 1724 CD LYS A 113 6.600 5.612 -9.882 1.00 22.21 C ATOM 1725 CE LYS A 113 6.012 4.665 -10.940 1.00 71.44 C ATOM 1726 NZ LYS A 113 6.966 4.416 -12.046 1.00 3.12 N ATOM 0 H LYS A 113 2.659 5.131 -7.476 1.00 63.43 H new ATOM 0 HA LYS A 113 3.865 7.860 -7.555 1.00 64.21 H new ATOM 0 HB2 LYS A 113 3.737 5.779 -9.789 1.00 33.34 H new ATOM 0 HB3 LYS A 113 4.474 7.366 -9.890 1.00 33.34 H new ATOM 0 HG2 LYS A 113 6.097 6.644 -8.056 1.00 64.35 H new ATOM 0 HG3 LYS A 113 5.424 5.029 -8.170 1.00 64.35 H new ATOM 0 HD2 LYS A 113 6.904 6.540 -10.366 1.00 22.21 H new ATOM 0 HD3 LYS A 113 7.499 5.161 -9.462 1.00 22.21 H new ATOM 0 HE2 LYS A 113 5.744 3.718 -10.471 1.00 71.44 H new ATOM 0 HE3 LYS A 113 5.094 5.094 -11.341 1.00 71.44 H new ATOM 0 HZ1 LYS A 113 6.533 3.773 -12.739 1.00 3.12 H new ATOM 0 HZ2 LYS A 113 7.203 5.316 -12.509 1.00 3.12 H new ATOM 0 HZ3 LYS A 113 7.832 3.984 -11.666 1.00 3.12 H new ATOM 1740 N LEU A 114 1.693 8.809 -8.249 1.00 44.13 N ATOM 1741 CA LEU A 114 0.473 9.497 -8.719 1.00 51.13 C ATOM 1742 C LEU A 114 0.756 10.279 -10.020 1.00 61.33 C ATOM 1743 O LEU A 114 1.857 10.810 -10.205 1.00 43.24 O ATOM 1744 CB LEU A 114 -0.040 10.469 -7.622 1.00 32.42 C ATOM 1745 CG LEU A 114 -0.267 9.846 -6.206 1.00 43.32 C ATOM 1746 CD1 LEU A 114 -0.682 10.911 -5.181 1.00 31.14 C ATOM 1747 CD2 LEU A 114 -1.298 8.714 -6.256 1.00 63.25 C ATOM 0 H LEU A 114 2.273 9.383 -7.637 1.00 44.13 H new ATOM 0 HA LEU A 114 -0.291 8.747 -8.924 1.00 51.13 H new ATOM 0 HB2 LEU A 114 0.674 11.287 -7.527 1.00 32.42 H new ATOM 0 HB3 LEU A 114 -0.980 10.904 -7.961 1.00 32.42 H new ATOM 0 HG LEU A 114 0.685 9.425 -5.883 1.00 43.32 H new ATOM 0 HD11 LEU A 114 -0.831 10.442 -4.209 1.00 31.14 H new ATOM 0 HD12 LEU A 114 0.101 11.666 -5.103 1.00 31.14 H new ATOM 0 HD13 LEU A 114 -1.611 11.383 -5.502 1.00 31.14 H new ATOM 0 HD21 LEU A 114 -1.434 8.301 -5.256 1.00 63.25 H new ATOM 0 HD22 LEU A 114 -2.249 9.104 -6.620 1.00 63.25 H new ATOM 0 HD23 LEU A 114 -0.946 7.931 -6.927 1.00 63.25 H new ATOM 1759 N GLU A 115 -0.241 10.336 -10.927 1.00 42.24 N ATOM 1760 CA GLU A 115 -0.166 11.145 -12.169 1.00 22.21 C ATOM 1761 C GLU A 115 -1.421 12.052 -12.318 1.00 1.22 C ATOM 1762 O GLU A 115 -2.551 11.554 -12.219 1.00 73.00 O ATOM 1763 CB GLU A 115 0.017 10.235 -13.419 1.00 65.32 C ATOM 1764 CG GLU A 115 1.380 9.507 -13.467 1.00 33.33 C ATOM 1765 CD GLU A 115 1.688 8.850 -14.825 1.00 65.21 C ATOM 1766 OE1 GLU A 115 1.952 9.591 -15.797 1.00 24.44 O ATOM 1767 OE2 GLU A 115 1.669 7.604 -14.930 1.00 53.43 O ATOM 0 H GLU A 115 -1.118 9.826 -10.823 1.00 42.24 H new ATOM 0 HA GLU A 115 0.709 11.791 -12.096 1.00 22.21 H new ATOM 0 HB2 GLU A 115 -0.781 9.493 -13.437 1.00 65.32 H new ATOM 0 HB3 GLU A 115 -0.092 10.842 -14.318 1.00 65.32 H new ATOM 0 HG2 GLU A 115 2.170 10.220 -13.232 1.00 33.33 H new ATOM 0 HG3 GLU A 115 1.400 8.742 -12.691 1.00 33.33 H new ATOM 1774 N PRO A 116 -1.234 13.405 -12.531 1.00 15.13 N ATOM 1775 CA PRO A 116 -2.359 14.377 -12.689 1.00 14.51 C ATOM 1776 C PRO A 116 -3.189 14.149 -13.983 1.00 12.32 C ATOM 1777 O PRO A 116 -2.657 14.212 -15.098 1.00 42.32 O ATOM 1778 CB PRO A 116 -1.635 15.755 -12.711 1.00 20.02 C ATOM 1779 CG PRO A 116 -0.250 15.448 -13.189 1.00 34.23 C ATOM 1780 CD PRO A 116 0.087 14.089 -12.621 1.00 52.20 C ATOM 0 HA PRO A 116 -3.095 14.282 -11.891 1.00 14.51 H new ATOM 0 HB2 PRO A 116 -2.138 16.456 -13.377 1.00 20.02 H new ATOM 0 HB3 PRO A 116 -1.620 16.211 -11.721 1.00 20.02 H new ATOM 0 HG2 PRO A 116 -0.205 15.439 -14.278 1.00 34.23 H new ATOM 0 HG3 PRO A 116 0.459 16.202 -12.846 1.00 34.23 H new ATOM 0 HD2 PRO A 116 0.776 13.545 -13.267 1.00 52.20 H new ATOM 0 HD3 PRO A 116 0.563 14.170 -11.644 1.00 52.20 H new ATOM 1788 N LEU A 117 -4.496 13.876 -13.812 1.00 34.34 N ATOM 1789 CA LEU A 117 -5.445 13.661 -14.939 1.00 53.25 C ATOM 1790 C LEU A 117 -6.560 14.745 -14.939 1.00 44.11 C ATOM 1791 O LEU A 117 -7.746 14.432 -15.137 1.00 32.03 O ATOM 1792 CB LEU A 117 -6.081 12.243 -14.850 1.00 72.24 C ATOM 1793 CG LEU A 117 -5.124 11.030 -14.667 1.00 52.11 C ATOM 1794 CD1 LEU A 117 -5.936 9.721 -14.580 1.00 53.53 C ATOM 1795 CD2 LEU A 117 -4.047 10.960 -15.776 1.00 42.24 C ATOM 0 H LEU A 117 -4.931 13.797 -12.893 1.00 34.34 H new ATOM 0 HA LEU A 117 -4.886 13.741 -15.871 1.00 53.25 H new ATOM 0 HB2 LEU A 117 -6.785 12.243 -14.018 1.00 72.24 H new ATOM 0 HB3 LEU A 117 -6.661 12.078 -15.758 1.00 72.24 H new ATOM 0 HG LEU A 117 -4.587 11.168 -13.729 1.00 52.11 H new ATOM 0 HD11 LEU A 117 -5.256 8.879 -14.452 1.00 53.53 H new ATOM 0 HD12 LEU A 117 -6.616 9.771 -13.730 1.00 53.53 H new ATOM 0 HD13 LEU A 117 -6.510 9.587 -15.497 1.00 53.53 H new ATOM 0 HD21 LEU A 117 -3.404 10.097 -15.605 1.00 42.24 H new ATOM 0 HD22 LEU A 117 -4.531 10.864 -16.748 1.00 42.24 H new ATOM 0 HD23 LEU A 117 -3.446 11.869 -15.758 1.00 42.24 H new ATOM 1807 N GLU A 118 -6.145 16.016 -14.728 1.00 53.22 N ATOM 1808 CA GLU A 118 -7.043 17.206 -14.661 1.00 24.24 C ATOM 1809 C GLU A 118 -7.996 17.142 -13.447 1.00 23.45 C ATOM 1810 O GLU A 118 -7.694 17.677 -12.375 1.00 33.40 O ATOM 1811 CB GLU A 118 -7.847 17.420 -15.999 1.00 72.14 C ATOM 1812 CG GLU A 118 -7.039 17.979 -17.181 1.00 41.24 C ATOM 1813 CD GLU A 118 -5.830 17.109 -17.585 1.00 74.32 C ATOM 1814 OE1 GLU A 118 -6.029 16.073 -18.251 1.00 55.41 O ATOM 1815 OE2 GLU A 118 -4.677 17.443 -17.220 1.00 42.12 O ATOM 0 H GLU A 118 -5.162 16.253 -14.597 1.00 53.22 H new ATOM 0 HA GLU A 118 -6.395 18.073 -14.528 1.00 24.24 H new ATOM 0 HB2 GLU A 118 -8.280 16.465 -16.298 1.00 72.14 H new ATOM 0 HB3 GLU A 118 -8.677 18.097 -15.798 1.00 72.14 H new ATOM 0 HG2 GLU A 118 -7.700 18.085 -18.041 1.00 41.24 H new ATOM 0 HG3 GLU A 118 -6.685 18.978 -16.925 1.00 41.24 H new ATOM 1822 N ASN A 119 -9.132 16.462 -13.628 1.00 63.22 N ATOM 1823 CA ASN A 119 -10.200 16.330 -12.616 1.00 52.42 C ATOM 1824 C ASN A 119 -10.161 14.929 -11.950 1.00 34.21 C ATOM 1825 O ASN A 119 -10.957 14.627 -11.060 1.00 51.13 O ATOM 1826 CB ASN A 119 -11.545 16.597 -13.332 1.00 21.40 C ATOM 1827 CG ASN A 119 -11.680 18.039 -13.834 1.00 75.50 C ATOM 1828 OD1 ASN A 119 -11.148 18.976 -13.247 1.00 5.34 O ATOM 1829 ND2 ASN A 119 -12.383 18.227 -14.931 1.00 4.52 N ATOM 0 H ASN A 119 -9.345 15.975 -14.499 1.00 63.22 H new ATOM 0 HA ASN A 119 -10.064 17.050 -11.809 1.00 52.42 H new ATOM 0 HB2 ASN A 119 -11.643 15.914 -14.176 1.00 21.40 H new ATOM 0 HB3 ASN A 119 -12.365 16.378 -12.647 1.00 21.40 H new ATOM 0 HD21 ASN A 119 -12.495 19.167 -15.310 1.00 4.52 H new ATOM 0 HD22 ASN A 119 -12.816 17.432 -15.402 1.00 4.52 H new ATOM 1836 N ARG A 120 -9.219 14.085 -12.418 1.00 21.33 N ATOM 1837 CA ARG A 120 -8.949 12.737 -11.873 1.00 22.15 C ATOM 1838 C ARG A 120 -7.451 12.628 -11.486 1.00 4.33 C ATOM 1839 O ARG A 120 -6.669 13.547 -11.748 1.00 24.53 O ATOM 1840 CB ARG A 120 -9.283 11.667 -12.948 1.00 65.04 C ATOM 1841 CG ARG A 120 -10.697 11.777 -13.566 1.00 61.14 C ATOM 1842 CD ARG A 120 -10.822 10.952 -14.859 1.00 3.43 C ATOM 1843 NE ARG A 120 -9.835 11.384 -15.876 1.00 73.41 N ATOM 1844 CZ ARG A 120 -9.439 10.675 -16.912 1.00 31.31 C ATOM 1845 NH1 ARG A 120 -9.915 9.492 -17.143 1.00 64.33 N ATOM 1846 NH2 ARG A 120 -8.550 11.164 -17.714 1.00 44.53 N ATOM 0 H ARG A 120 -8.612 14.326 -13.201 1.00 21.33 H new ATOM 0 HA ARG A 120 -9.567 12.571 -10.991 1.00 22.15 H new ATOM 0 HB2 ARG A 120 -8.547 11.737 -13.749 1.00 65.04 H new ATOM 0 HB3 ARG A 120 -9.175 10.679 -12.501 1.00 65.04 H new ATOM 0 HG2 ARG A 120 -11.437 11.434 -12.843 1.00 61.14 H new ATOM 0 HG3 ARG A 120 -10.920 12.822 -13.779 1.00 61.14 H new ATOM 0 HD2 ARG A 120 -10.675 9.896 -14.634 1.00 3.43 H new ATOM 0 HD3 ARG A 120 -11.830 11.055 -15.262 1.00 3.43 H new ATOM 0 HE ARG A 120 -9.427 12.312 -15.764 1.00 73.41 H new ATOM 0 HH11 ARG A 120 -10.612 9.091 -16.515 1.00 64.33 H new ATOM 0 HH12 ARG A 120 -9.593 8.962 -17.952 1.00 64.33 H new ATOM 0 HH21 ARG A 120 -8.162 12.091 -17.541 1.00 44.53 H new ATOM 0 HH22 ARG A 120 -8.237 10.622 -18.519 1.00 44.53 H new ATOM 1860 N THR A 121 -7.054 11.510 -10.862 1.00 53.51 N ATOM 1861 CA THR A 121 -5.628 11.194 -10.588 1.00 64.15 C ATOM 1862 C THR A 121 -5.410 9.669 -10.614 1.00 5.41 C ATOM 1863 O THR A 121 -6.227 8.912 -10.091 1.00 35.22 O ATOM 1864 CB THR A 121 -5.135 11.788 -9.220 1.00 24.34 C ATOM 1865 OG1 THR A 121 -5.211 13.224 -9.261 1.00 62.30 O ATOM 1866 CG2 THR A 121 -3.684 11.383 -8.873 1.00 33.44 C ATOM 0 H THR A 121 -7.703 10.796 -10.531 1.00 53.51 H new ATOM 0 HA THR A 121 -5.036 11.662 -11.374 1.00 64.15 H new ATOM 0 HB THR A 121 -5.788 11.379 -8.449 1.00 24.34 H new ATOM 0 HG1 THR A 121 -5.559 13.508 -10.132 1.00 62.30 H new ATOM 0 HG21 THR A 121 -3.402 11.824 -7.917 1.00 33.44 H new ATOM 0 HG22 THR A 121 -3.615 10.297 -8.806 1.00 33.44 H new ATOM 0 HG23 THR A 121 -3.010 11.742 -9.651 1.00 33.44 H new ATOM 1874 N ARG A 122 -4.288 9.234 -11.211 1.00 23.25 N ATOM 1875 CA ARG A 122 -3.976 7.815 -11.419 1.00 30.03 C ATOM 1876 C ARG A 122 -2.901 7.345 -10.414 1.00 51.13 C ATOM 1877 O ARG A 122 -1.766 7.822 -10.443 1.00 64.34 O ATOM 1878 CB ARG A 122 -3.493 7.634 -12.877 1.00 72.22 C ATOM 1879 CG ARG A 122 -3.384 6.179 -13.352 1.00 30.55 C ATOM 1880 CD ARG A 122 -3.063 6.088 -14.853 1.00 41.22 C ATOM 1881 NE ARG A 122 -4.123 6.697 -15.690 1.00 33.40 N ATOM 1882 CZ ARG A 122 -3.942 7.286 -16.849 1.00 12.22 C ATOM 1883 NH1 ARG A 122 -2.762 7.432 -17.364 1.00 13.00 N ATOM 1884 NH2 ARG A 122 -4.959 7.746 -17.487 1.00 3.51 N ATOM 0 H ARG A 122 -3.568 9.864 -11.565 1.00 23.25 H new ATOM 0 HA ARG A 122 -4.864 7.206 -11.251 1.00 30.03 H new ATOM 0 HB2 ARG A 122 -4.177 8.165 -13.538 1.00 72.22 H new ATOM 0 HB3 ARG A 122 -2.517 8.108 -12.981 1.00 72.22 H new ATOM 0 HG2 ARG A 122 -2.607 5.669 -12.783 1.00 30.55 H new ATOM 0 HG3 ARG A 122 -4.321 5.660 -13.149 1.00 30.55 H new ATOM 0 HD2 ARG A 122 -2.114 6.587 -15.051 1.00 41.22 H new ATOM 0 HD3 ARG A 122 -2.937 5.042 -15.133 1.00 41.22 H new ATOM 0 HE ARG A 122 -5.078 6.655 -15.334 1.00 33.40 H new ATOM 0 HH11 ARG A 122 -1.942 7.085 -16.867 1.00 13.00 H new ATOM 0 HH12 ARG A 122 -2.653 7.894 -18.267 1.00 13.00 H new ATOM 0 HH21 ARG A 122 -5.895 7.651 -17.092 1.00 3.51 H new ATOM 0 HH22 ARG A 122 -4.830 8.206 -18.388 1.00 3.51 H new ATOM 1898 N MET A 123 -3.278 6.412 -9.523 1.00 73.03 N ATOM 1899 CA MET A 123 -2.378 5.857 -8.493 1.00 21.21 C ATOM 1900 C MET A 123 -1.841 4.489 -8.947 1.00 51.11 C ATOM 1901 O MET A 123 -2.622 3.562 -9.167 1.00 3.00 O ATOM 1902 CB MET A 123 -3.131 5.690 -7.146 1.00 32.11 C ATOM 1903 CG MET A 123 -2.246 5.175 -5.989 1.00 71.23 C ATOM 1904 SD MET A 123 -3.179 4.788 -4.496 1.00 34.20 S ATOM 1905 CE MET A 123 -4.201 3.439 -5.082 1.00 63.13 C ATOM 0 H MET A 123 -4.219 6.019 -9.495 1.00 73.03 H new ATOM 0 HA MET A 123 -1.547 6.549 -8.354 1.00 21.21 H new ATOM 0 HB2 MET A 123 -3.561 6.650 -6.861 1.00 32.11 H new ATOM 0 HB3 MET A 123 -3.962 4.999 -7.289 1.00 32.11 H new ATOM 0 HG2 MET A 123 -1.713 4.283 -6.318 1.00 71.23 H new ATOM 0 HG3 MET A 123 -1.493 5.927 -5.754 1.00 71.23 H new ATOM 0 HE1 MET A 123 -5.248 3.740 -5.062 1.00 63.13 H new ATOM 0 HE2 MET A 123 -3.917 3.184 -6.103 1.00 63.13 H new ATOM 0 HE3 MET A 123 -4.061 2.570 -4.439 1.00 63.13 H new ATOM 1915 N THR A 124 -0.515 4.368 -9.074 1.00 13.33 N ATOM 1916 CA THR A 124 0.146 3.091 -9.412 1.00 70.23 C ATOM 1917 C THR A 124 1.101 2.668 -8.277 1.00 51.02 C ATOM 1918 O THR A 124 2.120 3.320 -8.043 1.00 63.45 O ATOM 1919 CB THR A 124 0.919 3.214 -10.768 1.00 60.31 C ATOM 1920 OG1 THR A 124 0.010 3.657 -11.787 1.00 74.14 O ATOM 1921 CG2 THR A 124 1.546 1.883 -11.210 1.00 52.04 C ATOM 0 H THR A 124 0.133 5.146 -8.947 1.00 13.33 H new ATOM 0 HA THR A 124 -0.619 2.322 -9.525 1.00 70.23 H new ATOM 0 HB THR A 124 1.728 3.930 -10.620 1.00 60.31 H new ATOM 0 HG1 THR A 124 0.488 3.738 -12.639 1.00 74.14 H new ATOM 0 HG21 THR A 124 2.070 2.024 -12.155 1.00 52.04 H new ATOM 0 HG22 THR A 124 2.251 1.543 -10.451 1.00 52.04 H new ATOM 0 HG23 THR A 124 0.762 1.136 -11.337 1.00 52.04 H new ATOM 1929 N ILE A 125 0.756 1.578 -7.562 1.00 62.01 N ATOM 1930 CA ILE A 125 1.570 1.044 -6.445 1.00 53.12 C ATOM 1931 C ILE A 125 2.352 -0.199 -6.922 1.00 51.11 C ATOM 1932 O ILE A 125 1.742 -1.230 -7.211 1.00 24.34 O ATOM 1933 CB ILE A 125 0.668 0.637 -5.217 1.00 60.15 C ATOM 1934 CG1 ILE A 125 -0.289 1.803 -4.807 1.00 3.34 C ATOM 1935 CG2 ILE A 125 1.543 0.183 -4.011 1.00 15.23 C ATOM 1936 CD1 ILE A 125 -1.299 1.435 -3.729 1.00 4.01 C ATOM 0 H ILE A 125 -0.093 1.042 -7.740 1.00 62.01 H new ATOM 0 HA ILE A 125 2.257 1.829 -6.128 1.00 53.12 H new ATOM 0 HB ILE A 125 0.050 -0.207 -5.523 1.00 60.15 H new ATOM 0 HG12 ILE A 125 0.310 2.643 -4.455 1.00 3.34 H new ATOM 0 HG13 ILE A 125 -0.827 2.144 -5.692 1.00 3.34 H new ATOM 0 HG21 ILE A 125 0.898 -0.092 -3.177 1.00 15.23 H new ATOM 0 HG22 ILE A 125 2.146 -0.677 -4.302 1.00 15.23 H new ATOM 0 HG23 ILE A 125 2.198 1.000 -3.709 1.00 15.23 H new ATOM 0 HD11 ILE A 125 -1.923 2.300 -3.504 1.00 4.01 H new ATOM 0 HD12 ILE A 125 -1.927 0.617 -4.083 1.00 4.01 H new ATOM 0 HD13 ILE A 125 -0.772 1.124 -2.827 1.00 4.01 H new ATOM 1948 N ILE A 126 3.691 -0.101 -7.002 1.00 31.25 N ATOM 1949 CA ILE A 126 4.554 -1.202 -7.473 1.00 51.25 C ATOM 1950 C ILE A 126 5.306 -1.833 -6.275 1.00 30.53 C ATOM 1951 O ILE A 126 6.281 -1.274 -5.768 1.00 35.25 O ATOM 1952 CB ILE A 126 5.602 -0.746 -8.571 1.00 14.53 C ATOM 1953 CG1 ILE A 126 4.935 0.086 -9.727 1.00 21.53 C ATOM 1954 CG2 ILE A 126 6.357 -1.970 -9.143 1.00 3.11 C ATOM 1955 CD1 ILE A 126 4.695 1.553 -9.410 1.00 64.31 C ATOM 0 H ILE A 126 4.205 0.741 -6.743 1.00 31.25 H new ATOM 0 HA ILE A 126 3.896 -1.935 -7.941 1.00 51.25 H new ATOM 0 HB ILE A 126 6.317 -0.088 -8.078 1.00 14.53 H new ATOM 0 HG12 ILE A 126 5.567 0.020 -10.612 1.00 21.53 H new ATOM 0 HG13 ILE A 126 3.981 -0.375 -9.982 1.00 21.53 H new ATOM 0 HG21 ILE A 126 7.072 -1.637 -9.895 1.00 3.11 H new ATOM 0 HG22 ILE A 126 6.887 -2.479 -8.338 1.00 3.11 H new ATOM 0 HG23 ILE A 126 5.644 -2.657 -9.599 1.00 3.11 H new ATOM 0 HD11 ILE A 126 4.232 2.040 -10.269 1.00 64.31 H new ATOM 0 HD12 ILE A 126 4.035 1.635 -8.547 1.00 64.31 H new ATOM 0 HD13 ILE A 126 5.646 2.037 -9.187 1.00 64.31 H new ATOM 1967 N SER A 127 4.829 -2.993 -5.837 1.00 54.34 N ATOM 1968 CA SER A 127 5.397 -3.750 -4.712 1.00 4.24 C ATOM 1969 C SER A 127 6.503 -4.696 -5.239 1.00 31.31 C ATOM 1970 O SER A 127 6.206 -5.691 -5.899 1.00 75.03 O ATOM 1971 CB SER A 127 4.245 -4.535 -4.023 1.00 74.51 C ATOM 1972 OG SER A 127 4.683 -5.246 -2.888 1.00 44.01 O ATOM 0 H SER A 127 4.020 -3.448 -6.259 1.00 54.34 H new ATOM 0 HA SER A 127 5.854 -3.085 -3.979 1.00 4.24 H new ATOM 0 HB2 SER A 127 3.459 -3.839 -3.731 1.00 74.51 H new ATOM 0 HB3 SER A 127 3.806 -5.231 -4.737 1.00 74.51 H new ATOM 0 HG SER A 127 4.697 -6.205 -3.088 1.00 44.01 H new ATOM 1978 N THR A 128 7.781 -4.348 -4.989 1.00 51.15 N ATOM 1979 CA THR A 128 8.952 -5.123 -5.462 1.00 51.42 C ATOM 1980 C THR A 128 9.484 -6.047 -4.344 1.00 34.33 C ATOM 1981 O THR A 128 10.085 -5.592 -3.367 1.00 71.22 O ATOM 1982 CB THR A 128 10.101 -4.189 -5.983 1.00 34.01 C ATOM 1983 OG1 THR A 128 10.472 -3.233 -4.974 1.00 23.14 O ATOM 1984 CG2 THR A 128 9.692 -3.440 -7.266 1.00 74.24 C ATOM 0 H THR A 128 8.034 -3.519 -4.452 1.00 51.15 H new ATOM 0 HA THR A 128 8.615 -5.735 -6.299 1.00 51.42 H new ATOM 0 HB THR A 128 10.953 -4.829 -6.214 1.00 34.01 H new ATOM 0 HG1 THR A 128 9.676 -2.746 -4.676 1.00 23.14 H new ATOM 0 HG21 THR A 128 10.514 -2.804 -7.594 1.00 74.24 H new ATOM 0 HG22 THR A 128 9.456 -4.161 -8.049 1.00 74.24 H new ATOM 0 HG23 THR A 128 8.816 -2.824 -7.064 1.00 74.24 H new ATOM 1992 N PHE A 129 9.238 -7.347 -4.512 1.00 53.40 N ATOM 1993 CA PHE A 129 9.564 -8.396 -3.529 1.00 30.04 C ATOM 1994 C PHE A 129 11.051 -8.818 -3.620 1.00 74.13 C ATOM 1995 O PHE A 129 11.696 -8.645 -4.662 1.00 13.41 O ATOM 1996 CB PHE A 129 8.648 -9.621 -3.777 1.00 70.55 C ATOM 1997 CG PHE A 129 7.170 -9.255 -3.888 1.00 44.42 C ATOM 1998 CD1 PHE A 129 6.372 -9.117 -2.757 1.00 10.02 C ATOM 1999 CD2 PHE A 129 6.585 -9.022 -5.131 1.00 13.30 C ATOM 2000 CE1 PHE A 129 5.045 -8.758 -2.867 1.00 44.32 C ATOM 2001 CE2 PHE A 129 5.260 -8.674 -5.239 1.00 73.14 C ATOM 2002 CZ PHE A 129 4.487 -8.541 -4.108 1.00 62.55 C ATOM 0 H PHE A 129 8.796 -7.715 -5.354 1.00 53.40 H new ATOM 0 HA PHE A 129 9.397 -7.999 -2.528 1.00 30.04 H new ATOM 0 HB2 PHE A 129 8.961 -10.121 -4.693 1.00 70.55 H new ATOM 0 HB3 PHE A 129 8.779 -10.335 -2.964 1.00 70.55 H new ATOM 0 HD1 PHE A 129 6.797 -9.293 -1.780 1.00 10.02 H new ATOM 0 HD2 PHE A 129 7.183 -9.117 -6.025 1.00 13.30 H new ATOM 0 HE1 PHE A 129 4.442 -8.647 -1.978 1.00 44.32 H new ATOM 0 HE2 PHE A 129 4.825 -8.505 -6.213 1.00 73.14 H new ATOM 0 HZ PHE A 129 3.446 -8.267 -4.193 1.00 62.55 H new ATOM 2012 N GLU A 130 11.575 -9.381 -2.521 1.00 54.44 N ATOM 2013 CA GLU A 130 12.956 -9.903 -2.463 1.00 72.22 C ATOM 2014 C GLU A 130 13.085 -11.247 -3.225 1.00 4.10 C ATOM 2015 O GLU A 130 14.113 -11.516 -3.859 1.00 43.34 O ATOM 2016 CB GLU A 130 13.381 -10.094 -0.980 1.00 70.20 C ATOM 2017 CG GLU A 130 13.281 -8.825 -0.103 1.00 23.21 C ATOM 2018 CD GLU A 130 14.186 -7.672 -0.569 1.00 2.45 C ATOM 2019 OE1 GLU A 130 15.404 -7.708 -0.284 1.00 20.00 O ATOM 2020 OE2 GLU A 130 13.693 -6.730 -1.226 1.00 53.24 O ATOM 0 H GLU A 130 11.058 -9.489 -1.648 1.00 54.44 H new ATOM 0 HA GLU A 130 13.613 -9.179 -2.944 1.00 72.22 H new ATOM 0 HB2 GLU A 130 12.760 -10.873 -0.537 1.00 70.20 H new ATOM 0 HB3 GLU A 130 14.410 -10.454 -0.956 1.00 70.20 H new ATOM 0 HG2 GLU A 130 12.247 -8.481 -0.095 1.00 23.21 H new ATOM 0 HG3 GLU A 130 13.539 -9.084 0.924 1.00 23.21 H new ATOM 2027 N SER A 131 12.019 -12.080 -3.161 1.00 11.41 N ATOM 2028 CA SER A 131 12.031 -13.469 -3.692 1.00 22.14 C ATOM 2029 C SER A 131 10.769 -13.783 -4.527 1.00 41.24 C ATOM 2030 O SER A 131 9.709 -13.169 -4.342 1.00 20.04 O ATOM 2031 CB SER A 131 12.130 -14.483 -2.524 1.00 12.15 C ATOM 2032 OG SER A 131 13.282 -14.259 -1.730 1.00 3.24 O ATOM 0 H SER A 131 11.129 -11.812 -2.742 1.00 11.41 H new ATOM 0 HA SER A 131 12.900 -13.557 -4.344 1.00 22.14 H new ATOM 0 HB2 SER A 131 11.239 -14.408 -1.901 1.00 12.15 H new ATOM 0 HB3 SER A 131 12.155 -15.497 -2.924 1.00 12.15 H new ATOM 0 HG SER A 131 13.311 -14.915 -1.003 1.00 3.24 H new ATOM 2038 N GLU A 132 10.914 -14.759 -5.440 1.00 72.13 N ATOM 2039 CA GLU A 132 9.807 -15.274 -6.279 1.00 44.24 C ATOM 2040 C GLU A 132 8.763 -16.040 -5.428 1.00 51.41 C ATOM 2041 O GLU A 132 7.574 -15.735 -5.484 1.00 21.14 O ATOM 2042 CB GLU A 132 10.375 -16.186 -7.404 1.00 61.13 C ATOM 2043 CG GLU A 132 9.370 -16.537 -8.524 1.00 73.33 C ATOM 2044 CD GLU A 132 9.900 -17.603 -9.496 1.00 14.42 C ATOM 2045 OE1 GLU A 132 9.808 -18.808 -9.173 1.00 53.51 O ATOM 2046 OE2 GLU A 132 10.449 -17.247 -10.559 1.00 4.21 O ATOM 0 H GLU A 132 11.806 -15.219 -5.621 1.00 72.13 H new ATOM 0 HA GLU A 132 9.298 -14.424 -6.734 1.00 44.24 H new ATOM 0 HB2 GLU A 132 11.238 -15.692 -7.851 1.00 61.13 H new ATOM 0 HB3 GLU A 132 10.735 -17.112 -6.955 1.00 61.13 H new ATOM 0 HG2 GLU A 132 8.443 -16.893 -8.074 1.00 73.33 H new ATOM 0 HG3 GLU A 132 9.127 -15.633 -9.083 1.00 73.33 H new ATOM 2053 N GLU A 133 9.232 -17.022 -4.621 1.00 51.41 N ATOM 2054 CA GLU A 133 8.373 -17.815 -3.681 1.00 51.15 C ATOM 2055 C GLU A 133 7.502 -16.908 -2.766 1.00 4.13 C ATOM 2056 O GLU A 133 6.363 -17.254 -2.424 1.00 2.31 O ATOM 2057 CB GLU A 133 9.266 -18.737 -2.801 1.00 15.31 C ATOM 2058 CG GLU A 133 10.399 -17.997 -2.047 1.00 51.31 C ATOM 2059 CD GLU A 133 11.155 -18.893 -1.056 1.00 31.43 C ATOM 2060 OE1 GLU A 133 12.047 -19.654 -1.490 1.00 30.30 O ATOM 2061 OE2 GLU A 133 10.872 -18.831 0.166 1.00 41.20 O ATOM 0 H GLU A 133 10.215 -17.294 -4.596 1.00 51.41 H new ATOM 0 HA GLU A 133 7.696 -18.415 -4.290 1.00 51.15 H new ATOM 0 HB2 GLU A 133 8.635 -19.248 -2.074 1.00 15.31 H new ATOM 0 HB3 GLU A 133 9.709 -19.506 -3.434 1.00 15.31 H new ATOM 0 HG2 GLU A 133 11.105 -17.593 -2.772 1.00 51.31 H new ATOM 0 HG3 GLU A 133 9.975 -17.149 -1.509 1.00 51.31 H new ATOM 2068 N GLN A 134 8.074 -15.747 -2.396 1.00 33.25 N ATOM 2069 CA GLN A 134 7.390 -14.696 -1.630 1.00 54.11 C ATOM 2070 C GLN A 134 6.175 -14.132 -2.406 1.00 22.03 C ATOM 2071 O GLN A 134 5.067 -14.096 -1.871 1.00 43.01 O ATOM 2072 CB GLN A 134 8.406 -13.571 -1.295 1.00 64.32 C ATOM 2073 CG GLN A 134 7.808 -12.277 -0.701 1.00 15.21 C ATOM 2074 CD GLN A 134 8.857 -11.202 -0.406 1.00 25.31 C ATOM 2075 OE1 GLN A 134 9.914 -11.160 -1.024 1.00 23.44 O ATOM 2076 NE2 GLN A 134 8.561 -10.306 0.511 1.00 44.45 N ATOM 0 H GLN A 134 9.040 -15.512 -2.626 1.00 33.25 H new ATOM 0 HA GLN A 134 7.006 -15.125 -0.705 1.00 54.11 H new ATOM 0 HB2 GLN A 134 9.138 -13.967 -0.591 1.00 64.32 H new ATOM 0 HB3 GLN A 134 8.947 -13.314 -2.206 1.00 64.32 H new ATOM 0 HG2 GLN A 134 7.071 -11.874 -1.396 1.00 15.21 H new ATOM 0 HG3 GLN A 134 7.278 -12.520 0.220 1.00 15.21 H new ATOM 0 HE21 GLN A 134 7.674 -10.363 1.012 1.00 44.45 H new ATOM 0 HE22 GLN A 134 9.218 -9.555 0.721 1.00 44.45 H new ATOM 2085 N MET A 135 6.390 -13.729 -3.679 1.00 15.10 N ATOM 2086 CA MET A 135 5.333 -13.079 -4.495 1.00 22.20 C ATOM 2087 C MET A 135 4.210 -14.063 -4.902 1.00 35.45 C ATOM 2088 O MET A 135 3.066 -13.637 -5.112 1.00 1.04 O ATOM 2089 CB MET A 135 5.921 -12.343 -5.726 1.00 41.13 C ATOM 2090 CG MET A 135 6.381 -13.189 -6.912 1.00 3.00 C ATOM 2091 SD MET A 135 7.060 -12.172 -8.244 1.00 31.51 S ATOM 2092 CE MET A 135 5.734 -10.990 -8.552 1.00 53.14 C ATOM 0 H MET A 135 7.281 -13.841 -4.164 1.00 15.10 H new ATOM 0 HA MET A 135 4.873 -12.325 -3.856 1.00 22.20 H new ATOM 0 HB2 MET A 135 5.169 -11.642 -6.087 1.00 41.13 H new ATOM 0 HB3 MET A 135 6.772 -11.752 -5.387 1.00 41.13 H new ATOM 0 HG2 MET A 135 7.136 -13.901 -6.579 1.00 3.00 H new ATOM 0 HG3 MET A 135 5.540 -13.770 -7.291 1.00 3.00 H new ATOM 0 HE1 MET A 135 5.877 -10.529 -9.529 1.00 53.14 H new ATOM 0 HE2 MET A 135 4.774 -11.506 -8.532 1.00 53.14 H new ATOM 0 HE3 MET A 135 5.748 -10.219 -7.782 1.00 53.14 H new ATOM 2102 N GLN A 136 4.542 -15.373 -5.026 1.00 23.33 N ATOM 2103 CA GLN A 136 3.514 -16.433 -5.145 1.00 12.14 C ATOM 2104 C GLN A 136 2.627 -16.456 -3.887 1.00 54.23 C ATOM 2105 O GLN A 136 1.415 -16.365 -4.001 1.00 13.03 O ATOM 2106 CB GLN A 136 4.128 -17.851 -5.380 1.00 44.15 C ATOM 2107 CG GLN A 136 4.520 -18.165 -6.835 1.00 52.20 C ATOM 2108 CD GLN A 136 5.786 -17.479 -7.307 1.00 3.21 C ATOM 2109 OE1 GLN A 136 6.867 -18.026 -7.187 1.00 40.21 O ATOM 2110 NE2 GLN A 136 5.667 -16.272 -7.813 1.00 4.00 N ATOM 0 H GLN A 136 5.502 -15.716 -5.046 1.00 23.33 H new ATOM 0 HA GLN A 136 2.914 -16.190 -6.022 1.00 12.14 H new ATOM 0 HB2 GLN A 136 5.013 -17.954 -4.752 1.00 44.15 H new ATOM 0 HB3 GLN A 136 3.410 -18.600 -5.045 1.00 44.15 H new ATOM 0 HG2 GLN A 136 4.645 -19.243 -6.940 1.00 52.20 H new ATOM 0 HG3 GLN A 136 3.699 -17.874 -7.490 1.00 52.20 H new ATOM 0 HE21 GLN A 136 4.745 -15.844 -7.899 1.00 4.00 H new ATOM 0 HE22 GLN A 136 6.496 -15.764 -8.120 1.00 4.00 H new ATOM 2119 N LYS A 137 3.268 -16.553 -2.701 1.00 43.11 N ATOM 2120 CA LYS A 137 2.581 -16.630 -1.385 1.00 64.44 C ATOM 2121 C LYS A 137 1.586 -15.446 -1.192 1.00 64.50 C ATOM 2122 O LYS A 137 0.469 -15.640 -0.703 1.00 60.05 O ATOM 2123 CB LYS A 137 3.644 -16.679 -0.226 1.00 43.35 C ATOM 2124 CG LYS A 137 3.340 -17.686 0.913 1.00 2.24 C ATOM 2125 CD LYS A 137 1.949 -17.487 1.547 1.00 71.01 C ATOM 2126 CE LYS A 137 1.691 -18.415 2.734 1.00 75.41 C ATOM 2127 NZ LYS A 137 1.796 -19.853 2.370 1.00 42.03 N ATOM 0 H LYS A 137 4.285 -16.581 -2.626 1.00 43.11 H new ATOM 0 HA LYS A 137 1.994 -17.548 -1.356 1.00 64.44 H new ATOM 0 HB2 LYS A 137 4.615 -16.925 -0.656 1.00 43.35 H new ATOM 0 HB3 LYS A 137 3.731 -15.682 0.207 1.00 43.35 H new ATOM 0 HG2 LYS A 137 3.411 -18.700 0.520 1.00 2.24 H new ATOM 0 HG3 LYS A 137 4.102 -17.590 1.687 1.00 2.24 H new ATOM 0 HD2 LYS A 137 1.851 -16.452 1.875 1.00 71.01 H new ATOM 0 HD3 LYS A 137 1.184 -17.655 0.789 1.00 71.01 H new ATOM 0 HE2 LYS A 137 2.405 -18.192 3.527 1.00 75.41 H new ATOM 0 HE3 LYS A 137 0.697 -18.217 3.135 1.00 75.41 H new ATOM 0 HZ1 LYS A 137 1.546 -20.438 3.192 1.00 42.03 H new ATOM 0 HZ2 LYS A 137 1.145 -20.061 1.586 1.00 42.03 H new ATOM 0 HZ3 LYS A 137 2.771 -20.067 2.076 1.00 42.03 H new ATOM 2141 N MET A 138 2.013 -14.237 -1.610 1.00 15.33 N ATOM 2142 CA MET A 138 1.164 -13.012 -1.610 1.00 14.42 C ATOM 2143 C MET A 138 -0.170 -13.261 -2.357 1.00 40.41 C ATOM 2144 O MET A 138 -1.260 -13.001 -1.837 1.00 42.11 O ATOM 2145 CB MET A 138 1.918 -11.836 -2.296 1.00 3.45 C ATOM 2146 CG MET A 138 3.298 -11.473 -1.713 1.00 63.23 C ATOM 2147 SD MET A 138 3.241 -10.422 -0.242 1.00 45.14 S ATOM 2148 CE MET A 138 2.998 -11.593 1.086 1.00 5.14 C ATOM 0 H MET A 138 2.957 -14.075 -1.959 1.00 15.33 H new ATOM 0 HA MET A 138 0.947 -12.757 -0.573 1.00 14.42 H new ATOM 0 HB2 MET A 138 2.046 -12.081 -3.350 1.00 3.45 H new ATOM 0 HB3 MET A 138 1.284 -10.951 -2.250 1.00 3.45 H new ATOM 0 HG2 MET A 138 3.827 -12.393 -1.466 1.00 63.23 H new ATOM 0 HG3 MET A 138 3.881 -10.967 -2.482 1.00 63.23 H new ATOM 0 HE1 MET A 138 2.104 -11.324 1.649 1.00 5.14 H new ATOM 0 HE2 MET A 138 2.878 -12.594 0.671 1.00 5.14 H new ATOM 0 HE3 MET A 138 3.863 -11.576 1.749 1.00 5.14 H new ATOM 2158 N ALA A 139 -0.042 -13.807 -3.574 1.00 54.30 N ATOM 2159 CA ALA A 139 -1.179 -14.083 -4.466 1.00 25.42 C ATOM 2160 C ALA A 139 -2.030 -15.293 -3.976 1.00 33.21 C ATOM 2161 O ALA A 139 -3.258 -15.279 -4.102 1.00 43.02 O ATOM 2162 CB ALA A 139 -0.660 -14.309 -5.900 1.00 63.05 C ATOM 0 H ALA A 139 0.859 -14.072 -3.971 1.00 54.30 H new ATOM 0 HA ALA A 139 -1.842 -13.218 -4.455 1.00 25.42 H new ATOM 0 HB1 ALA A 139 -1.501 -14.514 -6.563 1.00 63.05 H new ATOM 0 HB2 ALA A 139 -0.137 -13.416 -6.242 1.00 63.05 H new ATOM 0 HB3 ALA A 139 0.025 -15.157 -5.910 1.00 63.05 H new ATOM 2168 N GLU A 140 -1.363 -16.311 -3.388 1.00 42.45 N ATOM 2169 CA GLU A 140 -2.008 -17.577 -2.932 1.00 5.11 C ATOM 2170 C GLU A 140 -2.936 -17.351 -1.714 1.00 44.31 C ATOM 2171 O GLU A 140 -3.975 -18.004 -1.595 1.00 40.04 O ATOM 2172 CB GLU A 140 -0.930 -18.651 -2.594 1.00 5.14 C ATOM 2173 CG GLU A 140 -0.086 -19.114 -3.797 1.00 72.11 C ATOM 2174 CD GLU A 140 1.019 -20.124 -3.433 1.00 12.34 C ATOM 2175 OE1 GLU A 140 2.051 -19.711 -2.859 1.00 73.30 O ATOM 2176 OE2 GLU A 140 0.860 -21.327 -3.710 1.00 72.43 O ATOM 0 H GLU A 140 -0.359 -16.284 -3.213 1.00 42.45 H new ATOM 0 HA GLU A 140 -2.626 -17.937 -3.755 1.00 5.11 H new ATOM 0 HB2 GLU A 140 -0.262 -18.249 -1.832 1.00 5.14 H new ATOM 0 HB3 GLU A 140 -1.425 -19.519 -2.159 1.00 5.14 H new ATOM 0 HG2 GLU A 140 -0.745 -19.564 -4.539 1.00 72.11 H new ATOM 0 HG3 GLU A 140 0.372 -18.242 -4.264 1.00 72.11 H new ATOM 2183 N MET A 141 -2.547 -16.429 -0.816 1.00 45.55 N ATOM 2184 CA MET A 141 -3.396 -16.015 0.335 1.00 2.12 C ATOM 2185 C MET A 141 -4.583 -15.137 -0.119 1.00 14.51 C ATOM 2186 O MET A 141 -5.620 -15.084 0.549 1.00 1.44 O ATOM 2187 CB MET A 141 -2.550 -15.225 1.364 1.00 31.44 C ATOM 2188 CG MET A 141 -1.360 -15.989 1.946 1.00 51.41 C ATOM 2189 SD MET A 141 -0.411 -15.006 3.135 1.00 20.41 S ATOM 2190 CE MET A 141 0.027 -13.552 2.177 1.00 23.12 C ATOM 0 H MET A 141 -1.648 -15.950 -0.858 1.00 45.55 H new ATOM 0 HA MET A 141 -3.791 -16.923 0.791 1.00 2.12 H new ATOM 0 HB2 MET A 141 -2.181 -14.317 0.888 1.00 31.44 H new ATOM 0 HB3 MET A 141 -3.199 -14.915 2.183 1.00 31.44 H new ATOM 0 HG2 MET A 141 -1.719 -16.895 2.434 1.00 51.41 H new ATOM 0 HG3 MET A 141 -0.703 -16.303 1.135 1.00 51.41 H new ATOM 0 HE1 MET A 141 0.950 -13.123 2.568 1.00 23.12 H new ATOM 0 HE2 MET A 141 0.171 -13.833 1.134 1.00 23.12 H new ATOM 0 HE3 MET A 141 -0.773 -12.815 2.247 1.00 23.12 H new ATOM 2200 N GLY A 142 -4.416 -14.462 -1.269 1.00 1.02 N ATOM 2201 CA GLY A 142 -5.366 -13.437 -1.712 1.00 41.43 C ATOM 2202 C GLY A 142 -5.078 -12.069 -1.092 1.00 42.15 C ATOM 2203 O GLY A 142 -5.991 -11.259 -0.918 1.00 42.31 O ATOM 0 H GLY A 142 -3.632 -14.610 -1.905 1.00 1.02 H new ATOM 0 HA2 GLY A 142 -5.328 -13.356 -2.798 1.00 41.43 H new ATOM 0 HA3 GLY A 142 -6.378 -13.746 -1.450 1.00 41.43 H new ATOM 2207 N MET A 143 -3.792 -11.817 -0.751 1.00 23.42 N ATOM 2208 CA MET A 143 -3.324 -10.494 -0.253 1.00 31.14 C ATOM 2209 C MET A 143 -3.393 -9.445 -1.399 1.00 3.52 C ATOM 2210 O MET A 143 -3.530 -8.245 -1.151 1.00 1.42 O ATOM 2211 CB MET A 143 -1.883 -10.624 0.337 1.00 74.33 C ATOM 2212 CG MET A 143 -1.398 -9.433 1.199 1.00 22.12 C ATOM 2213 SD MET A 143 -1.006 -7.939 0.257 1.00 60.33 S ATOM 2214 CE MET A 143 0.460 -8.438 -0.648 1.00 2.43 C ATOM 0 H MET A 143 -3.052 -12.517 -0.811 1.00 23.42 H new ATOM 0 HA MET A 143 -3.976 -10.150 0.550 1.00 31.14 H new ATOM 0 HB2 MET A 143 -1.839 -11.529 0.944 1.00 74.33 H new ATOM 0 HB3 MET A 143 -1.184 -10.759 -0.488 1.00 74.33 H new ATOM 0 HG2 MET A 143 -2.168 -9.194 1.932 1.00 22.12 H new ATOM 0 HG3 MET A 143 -0.512 -9.740 1.755 1.00 22.12 H new ATOM 0 HE1 MET A 143 1.336 -7.950 -0.220 1.00 2.43 H new ATOM 0 HE2 MET A 143 0.578 -9.519 -0.581 1.00 2.43 H new ATOM 0 HE3 MET A 143 0.358 -8.148 -1.694 1.00 2.43 H new ATOM 2224 N GLU A 144 -3.320 -9.941 -2.660 1.00 25.03 N ATOM 2225 CA GLU A 144 -3.629 -9.155 -3.886 1.00 12.55 C ATOM 2226 C GLU A 144 -5.040 -8.520 -3.766 1.00 44.41 C ATOM 2227 O GLU A 144 -5.193 -7.311 -3.932 1.00 13.11 O ATOM 2228 CB GLU A 144 -3.519 -10.085 -5.140 1.00 4.43 C ATOM 2229 CG GLU A 144 -3.770 -9.429 -6.539 1.00 21.43 C ATOM 2230 CD GLU A 144 -5.247 -9.349 -6.987 1.00 72.13 C ATOM 2231 OE1 GLU A 144 -5.972 -10.349 -6.815 1.00 21.13 O ATOM 2232 OE2 GLU A 144 -5.672 -8.317 -7.558 1.00 21.34 O ATOM 0 H GLU A 144 -3.044 -10.903 -2.858 1.00 25.03 H new ATOM 0 HA GLU A 144 -2.910 -8.343 -3.999 1.00 12.55 H new ATOM 0 HB2 GLU A 144 -2.522 -10.526 -5.147 1.00 4.43 H new ATOM 0 HB3 GLU A 144 -4.229 -10.903 -5.018 1.00 4.43 H new ATOM 0 HG2 GLU A 144 -3.359 -8.420 -6.525 1.00 21.43 H new ATOM 0 HG3 GLU A 144 -3.212 -9.991 -7.288 1.00 21.43 H new ATOM 2239 N GLU A 145 -6.044 -9.360 -3.431 1.00 14.41 N ATOM 2240 CA GLU A 145 -7.437 -8.915 -3.177 1.00 62.50 C ATOM 2241 C GLU A 145 -7.534 -8.043 -1.898 1.00 51.43 C ATOM 2242 O GLU A 145 -8.287 -7.080 -1.866 1.00 60.34 O ATOM 2243 CB GLU A 145 -8.380 -10.136 -3.029 1.00 34.54 C ATOM 2244 CG GLU A 145 -9.876 -9.775 -2.882 1.00 10.21 C ATOM 2245 CD GLU A 145 -10.744 -10.965 -2.451 1.00 23.21 C ATOM 2246 OE1 GLU A 145 -11.202 -11.733 -3.321 1.00 71.42 O ATOM 2247 OE2 GLU A 145 -10.945 -11.150 -1.234 1.00 32.25 O ATOM 0 H GLU A 145 -5.914 -10.366 -3.328 1.00 14.41 H new ATOM 0 HA GLU A 145 -7.743 -8.314 -4.033 1.00 62.50 H new ATOM 0 HB2 GLU A 145 -8.258 -10.781 -3.899 1.00 34.54 H new ATOM 0 HB3 GLU A 145 -8.071 -10.714 -2.158 1.00 34.54 H new ATOM 0 HG2 GLU A 145 -9.980 -8.974 -2.150 1.00 10.21 H new ATOM 0 HG3 GLU A 145 -10.245 -9.389 -3.832 1.00 10.21 H new ATOM 2254 N GLY A 146 -6.763 -8.409 -0.850 1.00 13.12 N ATOM 2255 CA GLY A 146 -6.763 -7.675 0.430 1.00 2.22 C ATOM 2256 C GLY A 146 -6.401 -6.193 0.283 1.00 72.24 C ATOM 2257 O GLY A 146 -7.068 -5.318 0.850 1.00 73.04 O ATOM 0 H GLY A 146 -6.132 -9.210 -0.868 1.00 13.12 H new ATOM 0 HA2 GLY A 146 -7.749 -7.757 0.887 1.00 2.22 H new ATOM 0 HA3 GLY A 146 -6.056 -8.148 1.111 1.00 2.22 H new ATOM 2261 N MET A 147 -5.347 -5.920 -0.514 1.00 72.33 N ATOM 2262 CA MET A 147 -4.903 -4.541 -0.814 1.00 64.20 C ATOM 2263 C MET A 147 -5.756 -3.912 -1.953 1.00 21.12 C ATOM 2264 O MET A 147 -5.919 -2.697 -1.993 1.00 1.12 O ATOM 2265 CB MET A 147 -3.385 -4.502 -1.172 1.00 14.42 C ATOM 2266 CG MET A 147 -2.759 -3.094 -1.074 1.00 40.21 C ATOM 2267 SD MET A 147 -0.973 -3.068 -1.362 1.00 71.23 S ATOM 2268 CE MET A 147 -0.872 -3.593 -3.067 1.00 23.51 C ATOM 0 H MET A 147 -4.784 -6.641 -0.964 1.00 72.33 H new ATOM 0 HA MET A 147 -5.051 -3.944 0.086 1.00 64.20 H new ATOM 0 HB2 MET A 147 -2.847 -5.176 -0.506 1.00 14.42 H new ATOM 0 HB3 MET A 147 -3.250 -4.880 -2.185 1.00 14.42 H new ATOM 0 HG2 MET A 147 -3.244 -2.440 -1.798 1.00 40.21 H new ATOM 0 HG3 MET A 147 -2.964 -2.683 -0.086 1.00 40.21 H new ATOM 0 HE1 MET A 147 -0.119 -4.375 -3.163 1.00 23.51 H new ATOM 0 HE2 MET A 147 -1.840 -3.979 -3.387 1.00 23.51 H new ATOM 0 HE3 MET A 147 -0.595 -2.745 -3.693 1.00 23.51 H new ATOM 2278 N ARG A 148 -6.288 -4.747 -2.870 1.00 10.54 N ATOM 2279 CA ARG A 148 -7.146 -4.278 -3.996 1.00 74.03 C ATOM 2280 C ARG A 148 -8.472 -3.670 -3.481 1.00 22.55 C ATOM 2281 O ARG A 148 -8.870 -2.595 -3.913 1.00 4.35 O ATOM 2282 CB ARG A 148 -7.440 -5.448 -4.961 1.00 73.44 C ATOM 2283 CG ARG A 148 -8.201 -5.071 -6.252 1.00 73.43 C ATOM 2284 CD ARG A 148 -8.415 -6.288 -7.161 1.00 13.24 C ATOM 2285 NE ARG A 148 -8.994 -5.929 -8.468 1.00 33.21 N ATOM 2286 CZ ARG A 148 -8.717 -6.530 -9.606 1.00 54.24 C ATOM 2287 NH1 ARG A 148 -7.827 -7.482 -9.664 1.00 53.14 N ATOM 2288 NH2 ARG A 148 -9.322 -6.155 -10.684 1.00 43.40 N ATOM 0 H ARG A 148 -6.141 -5.756 -2.858 1.00 10.54 H new ATOM 0 HA ARG A 148 -6.603 -3.497 -4.529 1.00 74.03 H new ATOM 0 HB2 ARG A 148 -6.494 -5.912 -5.240 1.00 73.44 H new ATOM 0 HB3 ARG A 148 -8.019 -6.201 -4.426 1.00 73.44 H new ATOM 0 HG2 ARG A 148 -9.166 -4.637 -5.992 1.00 73.43 H new ATOM 0 HG3 ARG A 148 -7.643 -4.306 -6.793 1.00 73.43 H new ATOM 0 HD2 ARG A 148 -7.461 -6.791 -7.317 1.00 13.24 H new ATOM 0 HD3 ARG A 148 -9.072 -6.999 -6.660 1.00 13.24 H new ATOM 0 HE ARG A 148 -9.660 -5.157 -8.493 1.00 33.21 H new ATOM 0 HH11 ARG A 148 -7.334 -7.771 -8.819 1.00 53.14 H new ATOM 0 HH12 ARG A 148 -7.624 -7.937 -10.554 1.00 53.14 H new ATOM 0 HH21 ARG A 148 -10.007 -5.400 -10.648 1.00 43.40 H new ATOM 0 HH22 ARG A 148 -9.115 -6.614 -11.571 1.00 43.40 H new ATOM 2302 N GLU A 149 -9.130 -4.381 -2.547 1.00 74.22 N ATOM 2303 CA GLU A 149 -10.380 -3.921 -1.890 1.00 22.32 C ATOM 2304 C GLU A 149 -10.129 -2.700 -0.990 1.00 62.11 C ATOM 2305 O GLU A 149 -11.020 -1.863 -0.809 1.00 14.31 O ATOM 2306 CB GLU A 149 -11.019 -5.073 -1.068 1.00 4.33 C ATOM 2307 CG GLU A 149 -11.478 -6.287 -1.905 1.00 14.54 C ATOM 2308 CD GLU A 149 -12.431 -5.906 -3.054 1.00 23.25 C ATOM 2309 OE1 GLU A 149 -13.569 -5.460 -2.769 1.00 51.52 O ATOM 2310 OE2 GLU A 149 -12.041 -6.033 -4.239 1.00 21.14 O ATOM 0 H GLU A 149 -8.813 -5.294 -2.222 1.00 74.22 H new ATOM 0 HA GLU A 149 -11.073 -3.620 -2.676 1.00 22.32 H new ATOM 0 HB2 GLU A 149 -10.298 -5.413 -0.325 1.00 4.33 H new ATOM 0 HB3 GLU A 149 -11.877 -4.679 -0.523 1.00 4.33 H new ATOM 0 HG2 GLU A 149 -10.602 -6.787 -2.319 1.00 14.54 H new ATOM 0 HG3 GLU A 149 -11.975 -7.004 -1.251 1.00 14.54 H new ATOM 2317 N ALA A 150 -8.917 -2.633 -0.414 1.00 54.51 N ATOM 2318 CA ALA A 150 -8.420 -1.436 0.292 1.00 24.22 C ATOM 2319 C ALA A 150 -8.396 -0.208 -0.657 1.00 42.30 C ATOM 2320 O ALA A 150 -8.828 0.890 -0.296 1.00 61.02 O ATOM 2321 CB ALA A 150 -7.016 -1.717 0.849 1.00 62.21 C ATOM 0 H ALA A 150 -8.252 -3.407 -0.424 1.00 54.51 H new ATOM 0 HA ALA A 150 -9.093 -1.206 1.118 1.00 24.22 H new ATOM 0 HB1 ALA A 150 -6.648 -0.834 1.371 1.00 62.21 H new ATOM 0 HB2 ALA A 150 -7.061 -2.556 1.543 1.00 62.21 H new ATOM 0 HB3 ALA A 150 -6.341 -1.961 0.029 1.00 62.21 H new ATOM 2327 N ILE A 151 -7.896 -0.441 -1.884 1.00 20.15 N ATOM 2328 CA ILE A 151 -7.813 0.576 -2.955 1.00 62.12 C ATOM 2329 C ILE A 151 -9.220 0.962 -3.501 1.00 11.30 C ATOM 2330 O ILE A 151 -9.474 2.124 -3.826 1.00 54.41 O ATOM 2331 CB ILE A 151 -6.852 0.071 -4.101 1.00 64.44 C ATOM 2332 CG1 ILE A 151 -5.381 -0.030 -3.566 1.00 32.22 C ATOM 2333 CG2 ILE A 151 -6.926 0.956 -5.367 1.00 13.34 C ATOM 2334 CD1 ILE A 151 -4.384 -0.681 -4.517 1.00 23.15 C ATOM 0 H ILE A 151 -7.533 -1.352 -2.166 1.00 20.15 H new ATOM 0 HA ILE A 151 -7.392 1.488 -2.532 1.00 62.12 H new ATOM 0 HB ILE A 151 -7.189 -0.922 -4.399 1.00 64.44 H new ATOM 0 HG12 ILE A 151 -5.029 0.974 -3.329 1.00 32.22 H new ATOM 0 HG13 ILE A 151 -5.389 -0.594 -2.633 1.00 32.22 H new ATOM 0 HG21 ILE A 151 -6.246 0.565 -6.124 1.00 13.34 H new ATOM 0 HG22 ILE A 151 -7.944 0.950 -5.756 1.00 13.34 H new ATOM 0 HG23 ILE A 151 -6.640 1.977 -5.114 1.00 13.34 H new ATOM 0 HD11 ILE A 151 -3.398 -0.702 -4.052 1.00 23.15 H new ATOM 0 HD12 ILE A 151 -4.703 -1.700 -4.737 1.00 23.15 H new ATOM 0 HD13 ILE A 151 -4.337 -0.108 -5.443 1.00 23.15 H new ATOM 2346 N GLU A 152 -10.139 -0.011 -3.559 1.00 72.12 N ATOM 2347 CA GLU A 152 -11.549 0.238 -3.960 1.00 4.32 C ATOM 2348 C GLU A 152 -12.321 1.014 -2.881 1.00 52.00 C ATOM 2349 O GLU A 152 -13.330 1.666 -3.170 1.00 54.22 O ATOM 2350 CB GLU A 152 -12.253 -1.100 -4.290 1.00 4.21 C ATOM 2351 CG GLU A 152 -11.618 -1.882 -5.465 1.00 3.21 C ATOM 2352 CD GLU A 152 -11.645 -1.116 -6.798 1.00 15.14 C ATOM 2353 OE1 GLU A 152 -10.828 -0.181 -6.982 1.00 14.33 O ATOM 2354 OE2 GLU A 152 -12.494 -1.422 -7.658 1.00 44.02 O ATOM 0 H GLU A 152 -9.939 -0.986 -3.334 1.00 72.12 H new ATOM 0 HA GLU A 152 -11.538 0.860 -4.855 1.00 4.32 H new ATOM 0 HB2 GLU A 152 -12.243 -1.731 -3.401 1.00 4.21 H new ATOM 0 HB3 GLU A 152 -13.298 -0.899 -4.526 1.00 4.21 H new ATOM 0 HG2 GLU A 152 -10.585 -2.123 -5.214 1.00 3.21 H new ATOM 0 HG3 GLU A 152 -12.145 -2.828 -5.588 1.00 3.21 H new ATOM 2361 N GLN A 153 -11.811 0.943 -1.645 1.00 51.00 N ATOM 2362 CA GLN A 153 -12.378 1.647 -0.485 1.00 4.34 C ATOM 2363 C GLN A 153 -11.779 3.080 -0.355 1.00 1.11 C ATOM 2364 O GLN A 153 -12.309 3.898 0.388 1.00 74.23 O ATOM 2365 CB GLN A 153 -12.143 0.791 0.787 1.00 61.40 C ATOM 2366 CG GLN A 153 -12.875 1.279 2.060 1.00 41.31 C ATOM 2367 CD GLN A 153 -12.797 0.261 3.198 1.00 12.33 C ATOM 2368 OE1 GLN A 153 -13.687 -0.562 3.383 1.00 71.31 O ATOM 2369 NE2 GLN A 153 -11.721 0.290 3.942 1.00 20.31 N ATOM 0 H GLN A 153 -10.985 0.390 -1.419 1.00 51.00 H new ATOM 0 HA GLN A 153 -13.452 1.777 -0.619 1.00 4.34 H new ATOM 0 HB2 GLN A 153 -12.455 -0.232 0.579 1.00 61.40 H new ATOM 0 HB3 GLN A 153 -11.073 0.762 0.992 1.00 61.40 H new ATOM 0 HG2 GLN A 153 -12.439 2.222 2.388 1.00 41.31 H new ATOM 0 HG3 GLN A 153 -13.920 1.476 1.823 1.00 41.31 H new ATOM 0 HE21 GLN A 153 -10.997 0.986 3.765 1.00 20.31 H new ATOM 0 HE22 GLN A 153 -11.606 -0.384 4.699 1.00 20.31 H new ATOM 2378 N ILE A 154 -10.683 3.383 -1.108 1.00 63.23 N ATOM 2379 CA ILE A 154 -10.152 4.776 -1.256 1.00 31.12 C ATOM 2380 C ILE A 154 -11.211 5.694 -1.903 1.00 64.41 C ATOM 2381 O ILE A 154 -11.360 6.863 -1.518 1.00 72.44 O ATOM 2382 CB ILE A 154 -8.841 4.822 -2.125 1.00 62.32 C ATOM 2383 CG1 ILE A 154 -7.706 4.005 -1.454 1.00 0.43 C ATOM 2384 CG2 ILE A 154 -8.383 6.282 -2.411 1.00 53.44 C ATOM 2385 CD1 ILE A 154 -6.441 3.880 -2.285 1.00 41.10 C ATOM 0 H ILE A 154 -10.148 2.683 -1.623 1.00 63.23 H new ATOM 0 HA ILE A 154 -9.914 5.128 -0.252 1.00 31.12 H new ATOM 0 HB ILE A 154 -9.072 4.364 -3.086 1.00 62.32 H new ATOM 0 HG12 ILE A 154 -7.455 4.471 -0.501 1.00 0.43 H new ATOM 0 HG13 ILE A 154 -8.079 3.005 -1.231 1.00 0.43 H new ATOM 0 HG21 ILE A 154 -7.475 6.267 -3.014 1.00 53.44 H new ATOM 0 HG22 ILE A 154 -9.168 6.810 -2.951 1.00 53.44 H new ATOM 0 HG23 ILE A 154 -8.185 6.792 -1.468 1.00 53.44 H new ATOM 0 HD11 ILE A 154 -5.703 3.294 -1.738 1.00 41.10 H new ATOM 0 HD12 ILE A 154 -6.672 3.384 -3.228 1.00 41.10 H new ATOM 0 HD13 ILE A 154 -6.039 4.873 -2.487 1.00 41.10 H new ATOM 2397 N ASP A 155 -11.938 5.137 -2.888 1.00 63.02 N ATOM 2398 CA ASP A 155 -13.102 5.793 -3.511 1.00 63.21 C ATOM 2399 C ASP A 155 -14.146 6.188 -2.432 1.00 21.11 C ATOM 2400 O ASP A 155 -14.701 7.273 -2.466 1.00 62.34 O ATOM 2401 CB ASP A 155 -13.708 4.838 -4.573 1.00 11.02 C ATOM 2402 CG ASP A 155 -14.938 5.415 -5.293 1.00 44.03 C ATOM 2403 OD1 ASP A 155 -14.764 6.300 -6.154 1.00 2.02 O ATOM 2404 OD2 ASP A 155 -16.079 5.009 -4.975 1.00 51.15 O ATOM 0 H ASP A 155 -11.734 4.216 -3.276 1.00 63.02 H new ATOM 0 HA ASP A 155 -12.790 6.713 -4.005 1.00 63.21 H new ATOM 0 HB2 ASP A 155 -12.944 4.600 -5.313 1.00 11.02 H new ATOM 0 HB3 ASP A 155 -13.987 3.902 -4.090 1.00 11.02 H new ATOM 2409 N ALA A 156 -14.354 5.302 -1.452 1.00 52.02 N ATOM 2410 CA ALA A 156 -15.252 5.553 -0.300 1.00 2.23 C ATOM 2411 C ALA A 156 -14.650 6.566 0.714 1.00 1.22 C ATOM 2412 O ALA A 156 -15.396 7.269 1.387 1.00 12.41 O ATOM 2413 CB ALA A 156 -15.599 4.220 0.384 1.00 50.45 C ATOM 0 H ALA A 156 -13.907 4.386 -1.428 1.00 52.02 H new ATOM 0 HA ALA A 156 -16.165 6.011 -0.680 1.00 2.23 H new ATOM 0 HB1 ALA A 156 -16.259 4.407 1.231 1.00 50.45 H new ATOM 0 HB2 ALA A 156 -16.099 3.565 -0.329 1.00 50.45 H new ATOM 0 HB3 ALA A 156 -14.684 3.743 0.736 1.00 50.45 H new ATOM 2419 N VAL A 157 -13.304 6.601 0.841 1.00 33.52 N ATOM 2420 CA VAL A 157 -12.591 7.555 1.745 1.00 2.40 C ATOM 2421 C VAL A 157 -12.772 9.012 1.257 1.00 3.42 C ATOM 2422 O VAL A 157 -13.178 9.897 2.019 1.00 15.33 O ATOM 2423 CB VAL A 157 -11.046 7.220 1.842 1.00 43.41 C ATOM 2424 CG1 VAL A 157 -10.256 8.277 2.667 1.00 34.13 C ATOM 2425 CG2 VAL A 157 -10.817 5.808 2.421 1.00 1.32 C ATOM 0 H VAL A 157 -12.679 5.978 0.329 1.00 33.52 H new ATOM 0 HA VAL A 157 -13.032 7.449 2.736 1.00 2.40 H new ATOM 0 HB VAL A 157 -10.660 7.249 0.823 1.00 43.41 H new ATOM 0 HG11 VAL A 157 -9.203 7.999 2.702 1.00 34.13 H new ATOM 0 HG12 VAL A 157 -10.357 9.255 2.197 1.00 34.13 H new ATOM 0 HG13 VAL A 157 -10.654 8.319 3.681 1.00 34.13 H new ATOM 0 HG21 VAL A 157 -9.747 5.606 2.476 1.00 1.32 H new ATOM 0 HG22 VAL A 157 -11.249 5.750 3.420 1.00 1.32 H new ATOM 0 HG23 VAL A 157 -11.293 5.069 1.777 1.00 1.32 H new ATOM 2435 N LEU A 158 -12.489 9.231 -0.034 1.00 42.15 N ATOM 2436 CA LEU A 158 -12.495 10.574 -0.650 1.00 10.40 C ATOM 2437 C LEU A 158 -13.929 11.034 -1.017 1.00 12.31 C ATOM 2438 O LEU A 158 -14.251 12.220 -0.921 1.00 60.45 O ATOM 2439 CB LEU A 158 -11.576 10.579 -1.906 1.00 40.15 C ATOM 2440 CG LEU A 158 -10.091 10.141 -1.668 1.00 44.24 C ATOM 2441 CD1 LEU A 158 -9.265 10.199 -2.975 1.00 25.43 C ATOM 2442 CD2 LEU A 158 -9.433 10.975 -0.543 1.00 14.31 C ATOM 0 H LEU A 158 -12.249 8.484 -0.686 1.00 42.15 H new ATOM 0 HA LEU A 158 -12.109 11.284 0.081 1.00 10.40 H new ATOM 0 HB2 LEU A 158 -12.014 9.919 -2.655 1.00 40.15 H new ATOM 0 HB3 LEU A 158 -11.575 11.584 -2.328 1.00 40.15 H new ATOM 0 HG LEU A 158 -10.104 9.101 -1.341 1.00 44.24 H new ATOM 0 HD11 LEU A 158 -8.240 9.889 -2.772 1.00 25.43 H new ATOM 0 HD12 LEU A 158 -9.707 9.531 -3.714 1.00 25.43 H new ATOM 0 HD13 LEU A 158 -9.266 11.218 -3.361 1.00 25.43 H new ATOM 0 HD21 LEU A 158 -8.403 10.647 -0.402 1.00 14.31 H new ATOM 0 HD22 LEU A 158 -9.444 12.030 -0.818 1.00 14.31 H new ATOM 0 HD23 LEU A 158 -9.988 10.837 0.385 1.00 14.31 H new ATOM 2454 N SER A 159 -14.789 10.078 -1.419 1.00 63.23 N ATOM 2455 CA SER A 159 -16.179 10.370 -1.876 1.00 0.04 C ATOM 2456 C SER A 159 -17.213 9.989 -0.788 1.00 40.21 C ATOM 2457 O SER A 159 -18.346 9.622 -1.111 1.00 44.21 O ATOM 2458 CB SER A 159 -16.467 9.585 -3.192 1.00 1.31 C ATOM 2459 OG SER A 159 -17.498 10.185 -3.966 1.00 52.22 O ATOM 0 H SER A 159 -14.551 9.086 -1.440 1.00 63.23 H new ATOM 0 HA SER A 159 -16.269 11.440 -2.063 1.00 0.04 H new ATOM 0 HB2 SER A 159 -15.555 9.531 -3.786 1.00 1.31 H new ATOM 0 HB3 SER A 159 -16.749 8.561 -2.947 1.00 1.31 H new ATOM 0 HG SER A 159 -17.643 9.660 -4.781 1.00 52.22 H new