USER MOD reduce.3.24.130724 H: found=0, std=0, add=951, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 954 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 150 HIS : no HE2:sc= 1.27 K(o=2.3,f=-8.1!) USER MOD Set 1.2: A 153 THR OG1 : rot 150:sc= 1.02 USER MOD Set 2.1: A 125 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 136 HIS : no HD1:sc= 0 X(o=0,f=-0.27) USER MOD Set 3.1: A 103 THR OG1 : rot 180:sc= -0.013 USER MOD Set 3.2: A 121 THR OG1 : rot 180:sc= -0.74 USER MOD Single : A 25 LYS NZ :NH3+ 162:sc= 1.28 (180deg=1.28) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -117:sc= 0.17 (180deg=-0.373) USER MOD Single : A 40 HIS :FLIP no HE2:sc= 0.441 F(o=-1.5!,f=0.44) USER MOD Single : A 41 HIS :FLIP no HE2:sc= 0.656 F(o=-2.1!,f=0.66) USER MOD Single : A 70 THR OG1 : rot 37:sc= 0.125 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc=-0.00171 K(o=-0.0017,f=-1.9) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HE2:sc= 0.459 K(o=0.46,f=-4.7!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 1.27 (180deg=1.27) USER MOD Single : A 89 LYS NZ :NH3+ 174:sc= 1.21 (180deg=1.19) USER MOD Single : A 99 LYS NZ :NH3+ 169:sc= -0.0171 (180deg=-0.189) USER MOD Single : A 100 ASN : amide:sc= -4.93! C(o=-4.9!,f=-5.8!) USER MOD Single : A 112 MET CE :methyl -178:sc= -4! (180deg=-4.23!) USER MOD Single : A 113 LYS NZ :NH3+ 173:sc=-0.00603 (180deg=-0.0722) USER MOD Single : A 115 TYR OH : rot 92:sc= 0.0553 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 123 GLN :FLIP amide:sc= -0.819 F(o=-1.6,f=-0.82) USER MOD Single : A 127 LYS NZ :NH3+ -145:sc= -1.44 (180deg=-3.33!) USER MOD Single : A 133 SER OG : rot -52:sc= 1.05 USER MOD Single : A 138 HIS : no HE2:sc= 1.2 K(o=1.2,f=-4.3!) USER MOD Single : A 141 TYR OH : rot 71:sc= -1.37! USER MOD Single : A 143 LYS NZ :NH3+ -129:sc= -0.069 (180deg=-0.401) USER MOD Single : A 145 SER OG : rot 180:sc= 0 USER MOD Single : A 156 GLN : amide:sc= -0.125 X(o=-0.13,f=-0.2) USER MOD Single : A 158 CYS SG : rot -2:sc= -2.05! USER MOD Single : A 162 SER OG : rot 80:sc= 1.23 USER MOD Single : A 163 LYS NZ :NH3+ -170:sc=-0.00622 (180deg=-0.143) USER MOD Single : A 168 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 62 N LEU A 22 -5.143 -23.273 4.731 1.00 42.24 N ATOM 63 CA LEU A 22 -5.673 -22.157 3.924 1.00 72.42 C ATOM 64 C LEU A 22 -5.096 -20.798 4.345 1.00 74.40 C ATOM 65 O LEU A 22 -5.616 -19.738 3.969 1.00 13.40 O ATOM 66 CB LEU A 22 -7.190 -22.166 3.950 1.00 32.43 C ATOM 67 CG LEU A 22 -7.834 -23.385 3.296 1.00 14.12 C ATOM 68 CD1 LEU A 22 -9.300 -23.385 3.560 1.00 53.21 C ATOM 69 CD2 LEU A 22 -7.571 -23.398 1.794 1.00 4.45 C ATOM 0 HA LEU A 22 -5.348 -22.308 2.895 1.00 72.42 H new ATOM 0 HB2 LEU A 22 -7.522 -22.110 4.987 1.00 32.43 H new ATOM 0 HB3 LEU A 22 -7.553 -21.268 3.450 1.00 32.43 H new ATOM 0 HG LEU A 22 -7.391 -24.283 3.727 1.00 14.12 H new ATOM 0 HD11 LEU A 22 -9.754 -24.258 3.091 1.00 53.21 H new ATOM 0 HD12 LEU A 22 -9.476 -23.418 4.635 1.00 53.21 H new ATOM 0 HD13 LEU A 22 -9.744 -22.479 3.148 1.00 53.21 H new ATOM 0 HD21 LEU A 22 -8.040 -24.276 1.350 1.00 4.45 H new ATOM 0 HD22 LEU A 22 -7.988 -22.497 1.344 1.00 4.45 H new ATOM 0 HD23 LEU A 22 -6.497 -23.430 1.613 1.00 4.45 H new ATOM 81 N VAL A 23 -3.990 -20.842 5.070 1.00 0.41 N ATOM 82 CA VAL A 23 -3.324 -19.648 5.510 1.00 14.11 C ATOM 83 C VAL A 23 -2.533 -19.101 4.369 1.00 44.44 C ATOM 84 O VAL A 23 -1.687 -19.797 3.775 1.00 64.15 O ATOM 85 CB VAL A 23 -2.406 -19.897 6.735 1.00 64.54 C ATOM 86 CG1 VAL A 23 -1.669 -18.615 7.131 1.00 44.21 C ATOM 87 CG2 VAL A 23 -3.236 -20.383 7.896 1.00 12.31 C ATOM 0 H VAL A 23 -3.538 -21.708 5.364 1.00 0.41 H new ATOM 0 HA VAL A 23 -4.079 -18.931 5.832 1.00 14.11 H new ATOM 0 HB VAL A 23 -1.667 -20.652 6.468 1.00 64.54 H new ATOM 0 HG11 VAL A 23 -1.031 -18.813 7.992 1.00 44.21 H new ATOM 0 HG12 VAL A 23 -1.056 -18.275 6.296 1.00 44.21 H new ATOM 0 HG13 VAL A 23 -2.394 -17.843 7.387 1.00 44.21 H new ATOM 0 HG21 VAL A 23 -2.591 -20.558 8.757 1.00 12.31 H new ATOM 0 HG22 VAL A 23 -3.983 -19.631 8.149 1.00 12.31 H new ATOM 0 HG23 VAL A 23 -3.736 -21.312 7.622 1.00 12.31 H new ATOM 97 N GLY A 24 -2.798 -17.896 4.044 1.00 3.30 N ATOM 98 CA GLY A 24 -2.180 -17.318 2.929 1.00 3.34 C ATOM 99 C GLY A 24 -1.232 -16.236 3.280 1.00 35.42 C ATOM 100 O GLY A 24 -1.551 -15.341 4.044 1.00 41.55 O ATOM 0 H GLY A 24 -3.447 -17.288 4.544 1.00 3.30 H new ATOM 0 HA2 GLY A 24 -1.648 -18.092 2.375 1.00 3.34 H new ATOM 0 HA3 GLY A 24 -2.946 -16.919 2.264 1.00 3.34 H new ATOM 104 N LYS A 25 -0.077 -16.325 2.742 1.00 62.42 N ATOM 105 CA LYS A 25 0.896 -15.302 2.867 1.00 32.13 C ATOM 106 C LYS A 25 1.635 -15.145 1.624 1.00 22.12 C ATOM 107 O LYS A 25 1.693 -16.052 0.793 1.00 54.32 O ATOM 108 CB LYS A 25 1.942 -15.508 3.948 1.00 44.23 C ATOM 109 CG LYS A 25 1.541 -15.242 5.367 1.00 75.14 C ATOM 110 CD LYS A 25 2.803 -15.164 6.244 1.00 44.20 C ATOM 111 CE LYS A 25 3.787 -14.075 5.729 1.00 61.31 C ATOM 112 NZ LYS A 25 4.987 -13.925 6.600 1.00 60.01 N ATOM 0 H LYS A 25 0.229 -17.126 2.190 1.00 62.42 H new ATOM 0 HA LYS A 25 0.301 -14.429 3.136 1.00 32.13 H new ATOM 0 HB2 LYS A 25 2.290 -16.539 3.886 1.00 44.23 H new ATOM 0 HB3 LYS A 25 2.794 -14.870 3.715 1.00 44.23 H new ATOM 0 HG2 LYS A 25 0.981 -14.309 5.430 1.00 75.14 H new ATOM 0 HG3 LYS A 25 0.883 -16.033 5.726 1.00 75.14 H new ATOM 0 HD2 LYS A 25 2.519 -14.943 7.273 1.00 44.20 H new ATOM 0 HD3 LYS A 25 3.302 -16.133 6.252 1.00 44.20 H new ATOM 0 HE2 LYS A 25 4.106 -14.329 4.718 1.00 61.31 H new ATOM 0 HE3 LYS A 25 3.266 -13.120 5.668 1.00 61.31 H new ATOM 0 HZ1 LYS A 25 5.737 -13.431 6.076 1.00 60.01 H new ATOM 0 HZ2 LYS A 25 4.735 -13.375 7.446 1.00 60.01 H new ATOM 0 HZ3 LYS A 25 5.327 -14.865 6.887 1.00 60.01 H new ATOM 126 N LEU A 26 2.150 -14.002 1.475 1.00 32.02 N ATOM 127 CA LEU A 26 3.098 -13.726 0.480 1.00 2.43 C ATOM 128 C LEU A 26 3.991 -12.676 1.025 1.00 62.45 C ATOM 129 O LEU A 26 3.535 -11.680 1.545 1.00 13.24 O ATOM 130 CB LEU A 26 2.454 -13.366 -0.874 1.00 44.23 C ATOM 131 CG LEU A 26 3.404 -13.124 -2.065 1.00 63.31 C ATOM 132 CD1 LEU A 26 2.619 -13.159 -3.336 1.00 4.52 C ATOM 133 CD2 LEU A 26 4.091 -11.768 -1.971 1.00 32.02 C ATOM 0 H LEU A 26 1.918 -13.200 2.061 1.00 32.02 H new ATOM 0 HA LEU A 26 3.684 -14.614 0.242 1.00 2.43 H new ATOM 0 HB2 LEU A 26 1.769 -14.169 -1.146 1.00 44.23 H new ATOM 0 HB3 LEU A 26 1.853 -12.468 -0.734 1.00 44.23 H new ATOM 0 HG LEU A 26 4.164 -13.906 -2.047 1.00 63.31 H new ATOM 0 HD11 LEU A 26 3.286 -12.988 -4.181 1.00 4.52 H new ATOM 0 HD12 LEU A 26 2.141 -14.133 -3.442 1.00 4.52 H new ATOM 0 HD13 LEU A 26 1.856 -12.381 -3.314 1.00 4.52 H new ATOM 0 HD21 LEU A 26 4.752 -11.635 -2.828 1.00 32.02 H new ATOM 0 HD22 LEU A 26 3.339 -10.979 -1.966 1.00 32.02 H new ATOM 0 HD23 LEU A 26 4.674 -11.719 -1.052 1.00 32.02 H new ATOM 145 N GLU A 27 5.235 -12.923 0.977 1.00 14.51 N ATOM 146 CA GLU A 27 6.168 -12.016 1.533 1.00 24.22 C ATOM 147 C GLU A 27 7.296 -11.801 0.563 1.00 54.40 C ATOM 148 O GLU A 27 7.940 -12.758 0.130 1.00 53.55 O ATOM 149 CB GLU A 27 6.629 -12.546 2.879 1.00 64.15 C ATOM 150 CG GLU A 27 7.509 -11.622 3.668 1.00 62.22 C ATOM 151 CD GLU A 27 7.747 -12.165 5.035 1.00 14.41 C ATOM 152 OE1 GLU A 27 6.831 -12.050 5.887 1.00 22.04 O ATOM 153 OE2 GLU A 27 8.825 -12.731 5.287 1.00 50.34 O ATOM 0 H GLU A 27 5.644 -13.756 0.554 1.00 14.51 H new ATOM 0 HA GLU A 27 5.714 -11.041 1.708 1.00 24.22 H new ATOM 0 HB2 GLU A 27 5.749 -12.782 3.478 1.00 64.15 H new ATOM 0 HB3 GLU A 27 7.165 -13.481 2.718 1.00 64.15 H new ATOM 0 HG2 GLU A 27 8.460 -11.489 3.153 1.00 62.22 H new ATOM 0 HG3 GLU A 27 7.044 -10.639 3.737 1.00 62.22 H new ATOM 160 N THR A 28 7.516 -10.576 0.213 1.00 22.12 N ATOM 161 CA THR A 28 8.522 -10.226 -0.739 1.00 24.20 C ATOM 162 C THR A 28 9.142 -8.893 -0.336 1.00 13.21 C ATOM 163 O THR A 28 8.465 -8.032 0.231 1.00 15.53 O ATOM 164 CB THR A 28 7.920 -10.138 -2.201 1.00 52.11 C ATOM 165 OG1 THR A 28 8.948 -9.824 -3.155 1.00 11.43 O ATOM 166 CG2 THR A 28 6.818 -9.078 -2.288 1.00 11.14 C ATOM 0 H THR A 28 6.997 -9.780 0.584 1.00 22.12 H new ATOM 0 HA THR A 28 9.289 -11.001 -0.748 1.00 24.20 H new ATOM 0 HB THR A 28 7.491 -11.113 -2.432 1.00 52.11 H new ATOM 0 HG1 THR A 28 8.558 -9.776 -4.053 1.00 11.43 H new ATOM 0 HG21 THR A 28 6.426 -9.043 -3.305 1.00 11.14 H new ATOM 0 HG22 THR A 28 6.014 -9.332 -1.598 1.00 11.14 H new ATOM 0 HG23 THR A 28 7.229 -8.104 -2.024 1.00 11.14 H new ATOM 174 N ASP A 29 10.407 -8.742 -0.580 1.00 74.13 N ATOM 175 CA ASP A 29 11.076 -7.499 -0.305 1.00 15.34 C ATOM 176 C ASP A 29 11.415 -6.841 -1.614 1.00 20.32 C ATOM 177 O ASP A 29 11.862 -7.504 -2.556 1.00 2.51 O ATOM 178 CB ASP A 29 12.335 -7.691 0.569 1.00 11.42 C ATOM 179 CG ASP A 29 13.413 -8.533 -0.080 1.00 51.13 C ATOM 180 OD1 ASP A 29 13.290 -9.779 -0.085 1.00 54.21 O ATOM 181 OD2 ASP A 29 14.414 -7.971 -0.556 1.00 35.32 O ATOM 0 H ASP A 29 11.005 -9.469 -0.973 1.00 74.13 H new ATOM 0 HA ASP A 29 10.408 -6.859 0.271 1.00 15.34 H new ATOM 0 HB2 ASP A 29 12.749 -6.712 0.811 1.00 11.42 H new ATOM 0 HB3 ASP A 29 12.043 -8.156 1.511 1.00 11.42 H new ATOM 186 N VAL A 30 11.179 -5.570 -1.695 1.00 24.21 N ATOM 187 CA VAL A 30 11.408 -4.834 -2.922 1.00 22.44 C ATOM 188 C VAL A 30 12.341 -3.692 -2.620 1.00 3.52 C ATOM 189 O VAL A 30 12.270 -3.114 -1.551 1.00 32.21 O ATOM 190 CB VAL A 30 10.072 -4.298 -3.551 1.00 34.33 C ATOM 191 CG1 VAL A 30 10.341 -3.547 -4.844 1.00 22.01 C ATOM 192 CG2 VAL A 30 9.105 -5.444 -3.818 1.00 4.04 C ATOM 0 H VAL A 30 10.824 -5.005 -0.923 1.00 24.21 H new ATOM 0 HA VAL A 30 11.850 -5.507 -3.657 1.00 22.44 H new ATOM 0 HB VAL A 30 9.622 -3.611 -2.834 1.00 34.33 H new ATOM 0 HG11 VAL A 30 9.399 -3.187 -5.258 1.00 22.01 H new ATOM 0 HG12 VAL A 30 10.997 -2.700 -4.643 1.00 22.01 H new ATOM 0 HG13 VAL A 30 10.820 -4.215 -5.560 1.00 22.01 H new ATOM 0 HG21 VAL A 30 8.186 -5.051 -4.253 1.00 4.04 H new ATOM 0 HG22 VAL A 30 9.561 -6.151 -4.511 1.00 4.04 H new ATOM 0 HG23 VAL A 30 8.874 -5.951 -2.881 1.00 4.04 H new ATOM 202 N GLU A 31 13.220 -3.383 -3.521 1.00 3.44 N ATOM 203 CA GLU A 31 14.184 -2.347 -3.269 1.00 32.11 C ATOM 204 C GLU A 31 13.641 -1.028 -3.738 1.00 3.43 C ATOM 205 O GLU A 31 12.946 -0.965 -4.767 1.00 12.44 O ATOM 206 CB GLU A 31 15.485 -2.616 -4.001 1.00 11.34 C ATOM 207 CG GLU A 31 15.983 -4.048 -3.917 1.00 72.23 C ATOM 208 CD GLU A 31 17.264 -4.268 -4.665 1.00 21.21 C ATOM 209 OE1 GLU A 31 17.256 -4.199 -5.916 1.00 14.23 O ATOM 210 OE2 GLU A 31 18.300 -4.548 -4.014 1.00 11.10 O ATOM 0 H GLU A 31 13.294 -3.828 -4.436 1.00 3.44 H new ATOM 0 HA GLU A 31 14.377 -2.325 -2.196 1.00 32.11 H new ATOM 0 HB2 GLU A 31 15.355 -2.353 -5.051 1.00 11.34 H new ATOM 0 HB3 GLU A 31 16.254 -1.956 -3.600 1.00 11.34 H new ATOM 0 HG2 GLU A 31 16.129 -4.315 -2.870 1.00 72.23 H new ATOM 0 HG3 GLU A 31 15.218 -4.717 -4.313 1.00 72.23 H new ATOM 217 N ILE A 32 13.922 0.013 -3.000 1.00 73.12 N ATOM 218 CA ILE A 32 13.548 1.328 -3.409 1.00 74.33 C ATOM 219 C ILE A 32 14.746 2.247 -3.489 1.00 51.12 C ATOM 220 O ILE A 32 15.712 2.119 -2.727 1.00 70.22 O ATOM 221 CB ILE A 32 12.400 1.969 -2.579 1.00 71.34 C ATOM 222 CG1 ILE A 32 12.705 1.961 -1.079 1.00 54.03 C ATOM 223 CG2 ILE A 32 11.071 1.301 -2.894 1.00 4.32 C ATOM 224 CD1 ILE A 32 11.637 2.611 -0.228 1.00 62.42 C ATOM 0 H ILE A 32 14.413 -0.032 -2.107 1.00 73.12 H new ATOM 0 HA ILE A 32 13.136 1.199 -4.410 1.00 74.33 H new ATOM 0 HB ILE A 32 12.322 3.016 -2.871 1.00 71.34 H new ATOM 0 HG12 ILE A 32 12.838 0.930 -0.752 1.00 54.03 H new ATOM 0 HG13 ILE A 32 13.652 2.474 -0.909 1.00 54.03 H new ATOM 0 HG21 ILE A 32 10.282 1.765 -2.303 1.00 4.32 H new ATOM 0 HG22 ILE A 32 10.847 1.419 -3.954 1.00 4.32 H new ATOM 0 HG23 ILE A 32 11.131 0.240 -2.651 1.00 4.32 H new ATOM 0 HD11 ILE A 32 11.929 2.564 0.821 1.00 62.42 H new ATOM 0 HD12 ILE A 32 11.519 3.653 -0.525 1.00 62.42 H new ATOM 0 HD13 ILE A 32 10.692 2.085 -0.366 1.00 62.42 H new ATOM 236 N LYS A 33 14.666 3.160 -4.421 1.00 62.44 N ATOM 237 CA LYS A 33 15.709 4.143 -4.719 1.00 71.13 C ATOM 238 C LYS A 33 15.778 5.216 -3.636 1.00 12.42 C ATOM 239 O LYS A 33 16.669 6.076 -3.647 1.00 63.23 O ATOM 240 CB LYS A 33 15.361 4.816 -6.040 1.00 72.52 C ATOM 241 CG LYS A 33 15.223 3.864 -7.209 1.00 3.52 C ATOM 242 CD LYS A 33 14.652 4.573 -8.419 1.00 52.43 C ATOM 243 CE LYS A 33 14.477 3.621 -9.582 1.00 12.31 C ATOM 244 NZ LYS A 33 13.808 4.272 -10.723 1.00 32.00 N ATOM 0 H LYS A 33 13.848 3.254 -5.023 1.00 62.44 H new ATOM 0 HA LYS A 33 16.672 3.634 -4.768 1.00 71.13 H new ATOM 0 HB2 LYS A 33 14.426 5.363 -5.920 1.00 72.52 H new ATOM 0 HB3 LYS A 33 16.132 5.550 -6.274 1.00 72.52 H new ATOM 0 HG2 LYS A 33 16.197 3.442 -7.456 1.00 3.52 H new ATOM 0 HG3 LYS A 33 14.576 3.032 -6.931 1.00 3.52 H new ATOM 0 HD2 LYS A 33 13.691 5.018 -8.162 1.00 52.43 H new ATOM 0 HD3 LYS A 33 15.313 5.389 -8.711 1.00 52.43 H new ATOM 0 HE2 LYS A 33 15.452 3.247 -9.896 1.00 12.31 H new ATOM 0 HE3 LYS A 33 13.893 2.758 -9.262 1.00 12.31 H new ATOM 0 HZ1 LYS A 33 13.705 3.589 -11.501 1.00 32.00 H new ATOM 0 HZ2 LYS A 33 12.868 4.606 -10.430 1.00 32.00 H new ATOM 0 HZ3 LYS A 33 14.378 5.080 -11.045 1.00 32.00 H new ATOM 258 N ALA A 34 14.843 5.175 -2.728 1.00 72.01 N ATOM 259 CA ALA A 34 14.747 6.160 -1.690 1.00 52.13 C ATOM 260 C ALA A 34 15.205 5.607 -0.358 1.00 13.21 C ATOM 261 O ALA A 34 15.337 4.387 -0.186 1.00 23.40 O ATOM 262 CB ALA A 34 13.324 6.655 -1.584 1.00 41.44 C ATOM 0 H ALA A 34 14.123 4.453 -2.688 1.00 72.01 H new ATOM 0 HA ALA A 34 15.403 6.991 -1.950 1.00 52.13 H new ATOM 0 HB1 ALA A 34 13.257 7.403 -0.794 1.00 41.44 H new ATOM 0 HB2 ALA A 34 13.022 7.100 -2.532 1.00 41.44 H new ATOM 0 HB3 ALA A 34 12.665 5.819 -1.349 1.00 41.44 H new ATOM 268 N SER A 35 15.452 6.497 0.572 1.00 53.45 N ATOM 269 CA SER A 35 15.846 6.126 1.899 1.00 74.30 C ATOM 270 C SER A 35 14.620 6.140 2.820 1.00 74.12 C ATOM 271 O SER A 35 13.684 6.939 2.615 1.00 24.35 O ATOM 272 CB SER A 35 16.903 7.102 2.397 1.00 21.32 C ATOM 273 OG SER A 35 17.992 7.148 1.483 1.00 30.41 O ATOM 0 H SER A 35 15.383 7.504 0.423 1.00 53.45 H new ATOM 0 HA SER A 35 16.267 5.120 1.897 1.00 74.30 H new ATOM 0 HB2 SER A 35 16.469 8.096 2.508 1.00 21.32 H new ATOM 0 HB3 SER A 35 17.257 6.797 3.382 1.00 21.32 H new ATOM 0 HG SER A 35 18.667 7.779 1.810 1.00 30.41 H new ATOM 279 N ALA A 36 14.638 5.276 3.826 1.00 75.34 N ATOM 280 CA ALA A 36 13.537 5.121 4.778 1.00 64.40 C ATOM 281 C ALA A 36 13.277 6.414 5.544 1.00 52.33 C ATOM 282 O ALA A 36 12.147 6.672 5.995 1.00 4.35 O ATOM 283 CB ALA A 36 13.850 3.990 5.743 1.00 2.21 C ATOM 0 H ALA A 36 15.425 4.654 4.009 1.00 75.34 H new ATOM 0 HA ALA A 36 12.633 4.881 4.219 1.00 64.40 H new ATOM 0 HB1 ALA A 36 13.028 3.877 6.450 1.00 2.21 H new ATOM 0 HB2 ALA A 36 13.979 3.062 5.186 1.00 2.21 H new ATOM 0 HB3 ALA A 36 14.767 4.218 6.286 1.00 2.21 H new ATOM 289 N ASP A 37 14.325 7.220 5.667 1.00 41.10 N ATOM 290 CA ASP A 37 14.274 8.517 6.330 1.00 64.45 C ATOM 291 C ASP A 37 13.189 9.387 5.753 1.00 13.33 C ATOM 292 O ASP A 37 12.407 9.983 6.491 1.00 70.32 O ATOM 293 CB ASP A 37 15.612 9.255 6.186 1.00 41.24 C ATOM 294 CG ASP A 37 16.744 8.597 6.916 1.00 74.31 C ATOM 295 OD1 ASP A 37 17.333 7.646 6.385 1.00 21.44 O ATOM 296 OD2 ASP A 37 17.050 9.023 8.049 1.00 5.54 O ATOM 0 H ASP A 37 15.249 6.987 5.303 1.00 41.10 H new ATOM 0 HA ASP A 37 14.064 8.326 7.382 1.00 64.45 H new ATOM 0 HB2 ASP A 37 15.866 9.326 5.128 1.00 41.24 H new ATOM 0 HB3 ASP A 37 15.497 10.274 6.555 1.00 41.24 H new ATOM 301 N LYS A 38 13.108 9.429 4.437 1.00 51.11 N ATOM 302 CA LYS A 38 12.174 10.312 3.781 1.00 22.44 C ATOM 303 C LYS A 38 10.737 9.926 4.027 1.00 0.41 C ATOM 304 O LYS A 38 9.887 10.789 4.186 1.00 72.35 O ATOM 305 CB LYS A 38 12.479 10.488 2.306 1.00 13.05 C ATOM 306 CG LYS A 38 13.840 11.122 2.087 1.00 54.02 C ATOM 307 CD LYS A 38 14.102 11.471 0.643 1.00 74.11 C ATOM 308 CE LYS A 38 13.149 12.549 0.126 1.00 3.31 C ATOM 309 NZ LYS A 38 13.497 12.978 -1.250 1.00 25.43 N ATOM 0 H LYS A 38 13.677 8.863 3.807 1.00 51.11 H new ATOM 0 HA LYS A 38 12.310 11.290 4.243 1.00 22.44 H new ATOM 0 HB2 LYS A 38 12.445 9.519 1.809 1.00 13.05 H new ATOM 0 HB3 LYS A 38 11.710 11.109 1.847 1.00 13.05 H new ATOM 0 HG2 LYS A 38 13.916 12.025 2.693 1.00 54.02 H new ATOM 0 HG3 LYS A 38 14.614 10.438 2.436 1.00 54.02 H new ATOM 0 HD2 LYS A 38 15.130 11.816 0.535 1.00 74.11 H new ATOM 0 HD3 LYS A 38 14.001 10.575 0.031 1.00 74.11 H new ATOM 0 HE2 LYS A 38 12.128 12.169 0.141 1.00 3.31 H new ATOM 0 HE3 LYS A 38 13.178 13.410 0.793 1.00 3.31 H new ATOM 0 HZ1 LYS A 38 13.762 13.984 -1.244 1.00 25.43 H new ATOM 0 HZ2 LYS A 38 14.297 12.412 -1.598 1.00 25.43 H new ATOM 0 HZ3 LYS A 38 12.677 12.840 -1.875 1.00 25.43 H new ATOM 323 N PHE A 39 10.473 8.624 4.109 1.00 34.43 N ATOM 324 CA PHE A 39 9.126 8.135 4.387 1.00 0.20 C ATOM 325 C PHE A 39 8.748 8.596 5.786 1.00 43.30 C ATOM 326 O PHE A 39 7.652 9.105 6.018 1.00 13.03 O ATOM 327 CB PHE A 39 9.093 6.593 4.316 1.00 62.23 C ATOM 328 CG PHE A 39 7.704 5.965 4.372 1.00 12.10 C ATOM 329 CD1 PHE A 39 6.938 5.998 5.534 1.00 73.13 C ATOM 330 CD2 PHE A 39 7.171 5.345 3.252 1.00 44.42 C ATOM 331 CE1 PHE A 39 5.683 5.428 5.571 1.00 33.32 C ATOM 332 CE2 PHE A 39 5.912 4.773 3.288 1.00 42.33 C ATOM 333 CZ PHE A 39 5.169 4.815 4.447 1.00 43.03 C ATOM 0 H PHE A 39 11.172 7.891 3.987 1.00 34.43 H new ATOM 0 HA PHE A 39 8.423 8.524 3.651 1.00 0.20 H new ATOM 0 HB2 PHE A 39 9.578 6.278 3.392 1.00 62.23 H new ATOM 0 HB3 PHE A 39 9.686 6.195 5.139 1.00 62.23 H new ATOM 0 HD1 PHE A 39 7.332 6.477 6.418 1.00 73.13 H new ATOM 0 HD2 PHE A 39 7.747 5.308 2.339 1.00 44.42 H new ATOM 0 HE1 PHE A 39 5.102 5.461 6.481 1.00 33.32 H new ATOM 0 HE2 PHE A 39 5.512 4.293 2.407 1.00 42.33 H new ATOM 0 HZ PHE A 39 4.186 4.369 4.476 1.00 43.03 H new ATOM 343 N HIS A 40 9.703 8.445 6.701 1.00 21.44 N ATOM 344 CA HIS A 40 9.537 8.819 8.098 1.00 51.30 C ATOM 345 C HIS A 40 9.184 10.305 8.221 1.00 72.32 C ATOM 346 O HIS A 40 8.353 10.683 9.043 1.00 0.01 O ATOM 347 CB HIS A 40 10.825 8.484 8.892 1.00 45.12 C ATOM 348 CG HIS A 40 10.777 8.796 10.366 1.00 40.55 C ATOM 349 ND1 HIS A 40 9.981 8.319 11.346 1.00 3.52 N flip ATOM 350 CD2 HIS A 40 11.657 9.658 10.988 1.00 4.02 C flip ATOM 351 CE1 HIS A 40 10.389 8.888 12.517 1.00 44.42 C flip ATOM 352 NE2 HIS A 40 11.398 9.688 12.280 1.00 22.42 N flip ATOM 0 H HIS A 40 10.621 8.056 6.488 1.00 21.44 H new ATOM 0 HA HIS A 40 8.712 8.246 8.522 1.00 51.30 H new ATOM 0 HB2 HIS A 40 11.041 7.423 8.770 1.00 45.12 H new ATOM 0 HB3 HIS A 40 11.657 9.032 8.449 1.00 45.12 H new ATOM 0 HD1 HIS A 40 9.215 7.655 11.232 1.00 3.52 H new ATOM 0 HD2 HIS A 40 12.436 10.220 10.494 1.00 4.02 H new ATOM 0 HE1 HIS A 40 9.949 8.707 13.487 1.00 44.42 H new ATOM 361 N HIS A 41 9.812 11.139 7.406 1.00 43.21 N ATOM 362 CA HIS A 41 9.522 12.567 7.439 1.00 70.53 C ATOM 363 C HIS A 41 8.214 12.917 6.741 1.00 71.11 C ATOM 364 O HIS A 41 7.335 13.522 7.348 1.00 14.14 O ATOM 365 CB HIS A 41 10.634 13.413 6.804 1.00 12.11 C ATOM 366 CG HIS A 41 11.935 13.492 7.546 1.00 12.22 C ATOM 367 ND1 HIS A 41 12.959 12.626 7.641 1.00 54.25 N flip ATOM 368 CD2 HIS A 41 12.324 14.607 8.244 1.00 3.31 C flip ATOM 369 CE1 HIS A 41 13.938 13.229 8.379 1.00 24.11 C flip ATOM 370 NE2 HIS A 41 13.525 14.425 8.729 1.00 73.14 N flip ATOM 0 H HIS A 41 10.516 10.859 6.723 1.00 43.21 H new ATOM 0 HA HIS A 41 9.445 12.803 8.500 1.00 70.53 H new ATOM 0 HB2 HIS A 41 10.835 13.017 5.809 1.00 12.11 H new ATOM 0 HB3 HIS A 41 10.256 14.427 6.673 1.00 12.11 H new ATOM 0 HD1 HIS A 41 12.998 11.690 7.236 1.00 54.25 H new ATOM 0 HD2 HIS A 41 11.729 15.499 8.373 1.00 3.31 H new ATOM 0 HE1 HIS A 41 14.893 12.794 8.632 1.00 24.11 H new ATOM 778 N THR A 70 -5.617 9.095 11.229 1.00 1.55 N ATOM 779 CA THR A 70 -4.679 8.325 10.443 1.00 44.33 C ATOM 780 C THR A 70 -4.984 6.820 10.544 1.00 72.22 C ATOM 781 O THR A 70 -5.284 6.176 9.540 1.00 42.21 O ATOM 782 CB THR A 70 -3.210 8.650 10.804 1.00 74.45 C ATOM 783 OG1 THR A 70 -3.008 10.072 10.658 1.00 13.24 O ATOM 784 CG2 THR A 70 -2.248 7.917 9.880 1.00 44.42 C ATOM 0 HA THR A 70 -4.806 8.616 9.400 1.00 44.33 H new ATOM 0 HB THR A 70 -3.017 8.331 11.828 1.00 74.45 H new ATOM 0 HG1 THR A 70 -3.812 10.549 10.953 1.00 13.24 H new ATOM 0 HG21 THR A 70 -1.222 8.162 10.154 1.00 44.42 H new ATOM 0 HG22 THR A 70 -2.402 6.842 9.974 1.00 44.42 H new ATOM 0 HG23 THR A 70 -2.430 8.221 8.849 1.00 44.42 H new ATOM 792 N VAL A 71 -4.937 6.270 11.739 1.00 21.34 N ATOM 793 CA VAL A 71 -5.280 4.878 11.926 1.00 65.05 C ATOM 794 C VAL A 71 -6.788 4.732 11.755 1.00 51.33 C ATOM 795 O VAL A 71 -7.557 5.371 12.472 1.00 73.13 O ATOM 796 CB VAL A 71 -4.874 4.356 13.323 1.00 52.22 C ATOM 797 CG1 VAL A 71 -5.165 2.869 13.432 1.00 1.43 C ATOM 798 CG2 VAL A 71 -3.408 4.635 13.606 1.00 10.12 C ATOM 0 H VAL A 71 -4.666 6.763 12.590 1.00 21.34 H new ATOM 0 HA VAL A 71 -4.735 4.289 11.188 1.00 65.05 H new ATOM 0 HB VAL A 71 -5.465 4.885 14.070 1.00 52.22 H new ATOM 0 HG11 VAL A 71 -4.875 2.513 14.420 1.00 1.43 H new ATOM 0 HG12 VAL A 71 -6.230 2.695 13.282 1.00 1.43 H new ATOM 0 HG13 VAL A 71 -4.599 2.331 12.672 1.00 1.43 H new ATOM 0 HG21 VAL A 71 -3.150 4.257 14.595 1.00 10.12 H new ATOM 0 HG22 VAL A 71 -2.792 4.139 12.856 1.00 10.12 H new ATOM 0 HG23 VAL A 71 -3.229 5.710 13.570 1.00 10.12 H new ATOM 808 N GLY A 72 -7.201 3.922 10.804 1.00 24.42 N ATOM 809 CA GLY A 72 -8.606 3.753 10.552 1.00 12.25 C ATOM 810 C GLY A 72 -9.067 4.535 9.337 1.00 74.44 C ATOM 811 O GLY A 72 -10.246 4.506 8.983 1.00 20.33 O ATOM 0 H GLY A 72 -6.586 3.377 10.200 1.00 24.42 H new ATOM 0 HA2 GLY A 72 -8.823 2.695 10.405 1.00 12.25 H new ATOM 0 HA3 GLY A 72 -9.172 4.076 11.426 1.00 12.25 H new ATOM 815 N SER A 73 -8.134 5.243 8.713 1.00 0.32 N ATOM 816 CA SER A 73 -8.422 6.067 7.547 1.00 52.14 C ATOM 817 C SER A 73 -8.765 5.189 6.348 1.00 44.41 C ATOM 818 O SER A 73 -8.275 4.059 6.244 1.00 74.54 O ATOM 819 CB SER A 73 -7.203 6.936 7.232 1.00 51.23 C ATOM 820 OG SER A 73 -7.474 7.905 6.237 1.00 22.53 O ATOM 0 H SER A 73 -7.156 5.262 9.002 1.00 0.32 H new ATOM 0 HA SER A 73 -9.279 6.706 7.760 1.00 52.14 H new ATOM 0 HB2 SER A 73 -6.872 7.436 8.142 1.00 51.23 H new ATOM 0 HB3 SER A 73 -6.382 6.300 6.902 1.00 51.23 H new ATOM 0 HG SER A 73 -6.668 8.437 6.070 1.00 22.53 H new ATOM 826 N ILE A 74 -9.627 5.692 5.476 1.00 22.34 N ATOM 827 CA ILE A 74 -10.040 4.980 4.277 1.00 11.30 C ATOM 828 C ILE A 74 -9.935 5.883 3.049 1.00 23.54 C ATOM 829 O ILE A 74 -10.540 6.967 3.014 1.00 3.54 O ATOM 830 CB ILE A 74 -11.491 4.457 4.422 1.00 61.24 C ATOM 831 CG1 ILE A 74 -11.538 3.452 5.560 1.00 62.01 C ATOM 832 CG2 ILE A 74 -11.984 3.816 3.123 1.00 63.31 C ATOM 833 CD1 ILE A 74 -12.909 2.945 5.888 1.00 73.32 C ATOM 0 H ILE A 74 -10.061 6.609 5.581 1.00 22.34 H new ATOM 0 HA ILE A 74 -9.371 4.129 4.146 1.00 11.30 H new ATOM 0 HB ILE A 74 -12.151 5.297 4.641 1.00 61.24 H new ATOM 0 HG12 ILE A 74 -10.903 2.604 5.305 1.00 62.01 H new ATOM 0 HG13 ILE A 74 -11.112 3.912 6.452 1.00 62.01 H new ATOM 0 HG21 ILE A 74 -13.005 3.459 3.258 1.00 63.31 H new ATOM 0 HG22 ILE A 74 -11.960 4.554 2.321 1.00 63.31 H new ATOM 0 HG23 ILE A 74 -11.338 2.977 2.863 1.00 63.31 H new ATOM 0 HD11 ILE A 74 -12.846 2.233 6.711 1.00 73.32 H new ATOM 0 HD12 ILE A 74 -13.546 3.780 6.178 1.00 73.32 H new ATOM 0 HD13 ILE A 74 -13.333 2.452 5.014 1.00 73.32 H new ATOM 845 N VAL A 75 -9.179 5.460 2.077 1.00 41.43 N ATOM 846 CA VAL A 75 -9.041 6.189 0.819 1.00 75.24 C ATOM 847 C VAL A 75 -9.054 5.183 -0.343 1.00 40.11 C ATOM 848 O VAL A 75 -8.682 4.036 -0.169 1.00 64.14 O ATOM 849 CB VAL A 75 -7.736 7.068 0.778 1.00 71.13 C ATOM 850 CG1 VAL A 75 -6.474 6.224 0.773 1.00 1.53 C ATOM 851 CG2 VAL A 75 -7.748 8.044 -0.398 1.00 20.14 C ATOM 0 H VAL A 75 -8.634 4.599 2.121 1.00 41.43 H new ATOM 0 HA VAL A 75 -9.881 6.878 0.727 1.00 75.24 H new ATOM 0 HB VAL A 75 -7.729 7.654 1.697 1.00 71.13 H new ATOM 0 HG11 VAL A 75 -5.601 6.876 0.744 1.00 1.53 H new ATOM 0 HG12 VAL A 75 -6.441 5.613 1.675 1.00 1.53 H new ATOM 0 HG13 VAL A 75 -6.473 5.577 -0.104 1.00 1.53 H new ATOM 0 HG21 VAL A 75 -6.831 8.633 -0.392 1.00 20.14 H new ATOM 0 HG22 VAL A 75 -7.815 7.487 -1.332 1.00 20.14 H new ATOM 0 HG23 VAL A 75 -8.607 8.710 -0.310 1.00 20.14 H new ATOM 861 N PHE A 76 -9.512 5.591 -1.502 1.00 70.51 N ATOM 862 CA PHE A 76 -9.560 4.680 -2.625 1.00 72.35 C ATOM 863 C PHE A 76 -8.602 5.115 -3.699 1.00 12.44 C ATOM 864 O PHE A 76 -8.505 6.310 -4.015 1.00 44.41 O ATOM 865 CB PHE A 76 -10.993 4.530 -3.163 1.00 65.43 C ATOM 866 CG PHE A 76 -11.962 4.038 -2.115 1.00 32.13 C ATOM 867 CD1 PHE A 76 -11.560 3.097 -1.194 1.00 21.33 C ATOM 868 CD2 PHE A 76 -13.250 4.532 -2.038 1.00 34.11 C ATOM 869 CE1 PHE A 76 -12.402 2.642 -0.221 1.00 53.24 C ATOM 870 CE2 PHE A 76 -14.117 4.079 -1.056 1.00 45.34 C ATOM 871 CZ PHE A 76 -13.690 3.129 -0.146 1.00 4.13 C ATOM 0 H PHE A 76 -9.853 6.533 -1.693 1.00 70.51 H new ATOM 0 HA PHE A 76 -9.247 3.695 -2.280 1.00 72.35 H new ATOM 0 HB2 PHE A 76 -11.335 5.492 -3.545 1.00 65.43 H new ATOM 0 HB3 PHE A 76 -10.990 3.836 -4.003 1.00 65.43 H new ATOM 0 HD1 PHE A 76 -10.553 2.709 -1.243 1.00 21.33 H new ATOM 0 HD2 PHE A 76 -13.583 5.275 -2.747 1.00 34.11 H new ATOM 0 HE1 PHE A 76 -12.061 1.903 0.488 1.00 53.24 H new ATOM 0 HE2 PHE A 76 -15.123 4.467 -1.002 1.00 45.34 H new ATOM 0 HZ PHE A 76 -14.362 2.770 0.620 1.00 4.13 H new ATOM 881 N TRP A 77 -7.892 4.165 -4.268 1.00 30.13 N ATOM 882 CA TRP A 77 -6.880 4.485 -5.260 1.00 14.41 C ATOM 883 C TRP A 77 -7.337 4.073 -6.634 1.00 75.33 C ATOM 884 O TRP A 77 -7.883 2.979 -6.809 1.00 31.53 O ATOM 885 CB TRP A 77 -5.562 3.753 -4.972 1.00 71.11 C ATOM 886 CG TRP A 77 -5.045 3.893 -3.577 1.00 30.13 C ATOM 887 CD1 TRP A 77 -4.944 5.033 -2.843 1.00 24.43 C ATOM 888 CD2 TRP A 77 -4.512 2.842 -2.766 1.00 12.22 C ATOM 889 NE1 TRP A 77 -4.415 4.751 -1.612 1.00 1.04 N ATOM 890 CE2 TRP A 77 -4.135 3.411 -1.543 1.00 3.43 C ATOM 891 CE3 TRP A 77 -4.330 1.468 -2.955 1.00 63.10 C ATOM 892 CZ2 TRP A 77 -3.585 2.655 -0.514 1.00 13.42 C ATOM 893 CZ3 TRP A 77 -3.782 0.724 -1.935 1.00 22.24 C ATOM 894 CH2 TRP A 77 -3.418 1.319 -0.730 1.00 31.24 C ATOM 0 H TRP A 77 -7.993 3.171 -4.065 1.00 30.13 H new ATOM 0 HA TRP A 77 -6.723 5.563 -5.213 1.00 14.41 H new ATOM 0 HB2 TRP A 77 -5.700 2.693 -5.186 1.00 71.11 H new ATOM 0 HB3 TRP A 77 -4.803 4.121 -5.662 1.00 71.11 H new ATOM 0 HD1 TRP A 77 -5.238 6.016 -3.181 1.00 24.43 H new ATOM 0 HE1 TRP A 77 -4.255 5.429 -0.867 1.00 1.04 H new ATOM 0 HE3 TRP A 77 -4.615 0.999 -3.885 1.00 63.10 H new ATOM 0 HZ2 TRP A 77 -3.300 3.110 0.423 1.00 13.42 H new ATOM 0 HZ3 TRP A 77 -3.632 -0.337 -2.071 1.00 22.24 H new ATOM 0 HH2 TRP A 77 -2.993 0.708 0.052 1.00 31.24 H new ATOM 905 N ASN A 78 -7.134 4.946 -7.593 1.00 52.44 N ATOM 906 CA ASN A 78 -7.401 4.632 -8.990 1.00 44.34 C ATOM 907 C ASN A 78 -6.078 4.506 -9.698 1.00 3.54 C ATOM 908 O ASN A 78 -5.180 5.327 -9.483 1.00 50.40 O ATOM 909 CB ASN A 78 -8.264 5.704 -9.694 1.00 1.32 C ATOM 910 CG ASN A 78 -9.693 5.820 -9.168 1.00 72.31 C ATOM 911 OD1 ASN A 78 -9.973 5.594 -7.989 1.00 34.52 O ATOM 912 ND2 ASN A 78 -10.609 6.175 -10.043 1.00 33.12 N ATOM 0 H ASN A 78 -6.781 5.890 -7.435 1.00 52.44 H new ATOM 0 HA ASN A 78 -7.968 3.702 -9.028 1.00 44.34 H new ATOM 0 HB2 ASN A 78 -7.773 6.672 -9.590 1.00 1.32 H new ATOM 0 HB3 ASN A 78 -8.301 5.479 -10.760 1.00 1.32 H new ATOM 0 HD21 ASN A 78 -11.582 6.270 -9.752 1.00 33.12 H new ATOM 0 HD22 ASN A 78 -10.346 6.355 -11.012 1.00 33.12 H new ATOM 919 N TYR A 79 -5.940 3.489 -10.507 1.00 11.10 N ATOM 920 CA TYR A 79 -4.701 3.218 -11.237 1.00 63.04 C ATOM 921 C TYR A 79 -5.021 2.330 -12.423 1.00 53.35 C ATOM 922 O TYR A 79 -6.085 1.733 -12.453 1.00 73.31 O ATOM 923 CB TYR A 79 -3.673 2.524 -10.307 1.00 14.12 C ATOM 924 CG TYR A 79 -4.148 1.198 -9.718 1.00 54.14 C ATOM 925 CD1 TYR A 79 -4.972 1.165 -8.598 1.00 32.32 C ATOM 926 CD2 TYR A 79 -3.776 -0.013 -10.284 1.00 62.55 C ATOM 927 CE1 TYR A 79 -5.410 -0.027 -8.068 1.00 54.22 C ATOM 928 CE2 TYR A 79 -4.214 -1.212 -9.757 1.00 43.33 C ATOM 929 CZ TYR A 79 -5.030 -1.214 -8.651 1.00 13.22 C ATOM 930 OH TYR A 79 -5.467 -2.411 -8.127 1.00 41.51 O ATOM 0 H TYR A 79 -6.682 2.813 -10.688 1.00 11.10 H new ATOM 0 HA TYR A 79 -4.265 4.154 -11.586 1.00 63.04 H new ATOM 0 HB2 TYR A 79 -2.754 2.350 -10.867 1.00 14.12 H new ATOM 0 HB3 TYR A 79 -3.425 3.202 -9.490 1.00 14.12 H new ATOM 0 HD1 TYR A 79 -5.274 2.093 -8.135 1.00 32.32 H new ATOM 0 HD2 TYR A 79 -3.133 -0.018 -11.152 1.00 62.55 H new ATOM 0 HE1 TYR A 79 -6.050 -0.031 -7.198 1.00 54.22 H new ATOM 0 HE2 TYR A 79 -3.916 -2.145 -10.212 1.00 43.33 H new ATOM 0 HH TYR A 79 -5.107 -3.152 -8.659 1.00 41.51 H new ATOM 940 N VAL A 80 -4.125 2.220 -13.373 1.00 2.50 N ATOM 941 CA VAL A 80 -4.379 1.398 -14.543 1.00 73.43 C ATOM 942 C VAL A 80 -3.569 0.113 -14.461 1.00 43.34 C ATOM 943 O VAL A 80 -2.348 0.133 -14.368 1.00 64.05 O ATOM 944 CB VAL A 80 -4.071 2.147 -15.873 1.00 40.33 C ATOM 945 CG1 VAL A 80 -4.394 1.272 -17.086 1.00 34.23 C ATOM 946 CG2 VAL A 80 -4.855 3.449 -15.941 1.00 45.03 C ATOM 0 H VAL A 80 -3.217 2.684 -13.365 1.00 2.50 H new ATOM 0 HA VAL A 80 -5.443 1.160 -14.549 1.00 73.43 H new ATOM 0 HB VAL A 80 -3.005 2.374 -15.892 1.00 40.33 H new ATOM 0 HG11 VAL A 80 -4.169 1.821 -18.001 1.00 34.23 H new ATOM 0 HG12 VAL A 80 -3.792 0.364 -17.050 1.00 34.23 H new ATOM 0 HG13 VAL A 80 -5.451 1.007 -17.072 1.00 34.23 H new ATOM 0 HG21 VAL A 80 -4.629 3.961 -16.876 1.00 45.03 H new ATOM 0 HG22 VAL A 80 -5.922 3.234 -15.894 1.00 45.03 H new ATOM 0 HG23 VAL A 80 -4.576 4.086 -15.102 1.00 45.03 H new ATOM 956 N HIS A 81 -4.264 -0.982 -14.478 1.00 33.52 N ATOM 957 CA HIS A 81 -3.679 -2.298 -14.359 1.00 2.04 C ATOM 958 C HIS A 81 -4.367 -3.197 -15.372 1.00 21.21 C ATOM 959 O HIS A 81 -5.592 -3.338 -15.338 1.00 43.45 O ATOM 960 CB HIS A 81 -3.895 -2.791 -12.907 1.00 74.14 C ATOM 961 CG HIS A 81 -3.378 -4.163 -12.551 1.00 70.44 C ATOM 962 ND1 HIS A 81 -2.192 -4.378 -11.890 1.00 31.53 N ATOM 963 CD2 HIS A 81 -3.931 -5.380 -12.706 1.00 52.14 C ATOM 964 CE1 HIS A 81 -2.039 -5.660 -11.661 1.00 74.40 C ATOM 965 NE2 HIS A 81 -3.079 -6.293 -12.145 1.00 34.10 N ATOM 0 H HIS A 81 -5.279 -0.995 -14.577 1.00 33.52 H new ATOM 0 HA HIS A 81 -2.608 -2.299 -14.561 1.00 2.04 H new ATOM 0 HB2 HIS A 81 -3.428 -2.071 -12.235 1.00 74.14 H new ATOM 0 HB3 HIS A 81 -4.965 -2.771 -12.701 1.00 74.14 H new ATOM 0 HD1 HIS A 81 -1.531 -3.650 -11.619 1.00 31.53 H new ATOM 0 HD2 HIS A 81 -4.874 -5.597 -13.185 1.00 52.14 H new ATOM 0 HE1 HIS A 81 -1.199 -6.116 -11.159 1.00 74.40 H new ATOM 974 N ASP A 82 -3.589 -3.754 -16.299 1.00 2.31 N ATOM 975 CA ASP A 82 -4.117 -4.611 -17.397 1.00 42.53 C ATOM 976 C ASP A 82 -5.021 -3.830 -18.325 1.00 21.12 C ATOM 977 O ASP A 82 -5.943 -4.382 -18.944 1.00 3.01 O ATOM 978 CB ASP A 82 -4.821 -5.883 -16.883 1.00 42.32 C ATOM 979 CG ASP A 82 -3.855 -6.932 -16.392 1.00 74.33 C ATOM 980 OD1 ASP A 82 -3.403 -7.754 -17.203 1.00 0.03 O ATOM 981 OD2 ASP A 82 -3.533 -6.954 -15.190 1.00 71.42 O ATOM 0 H ASP A 82 -2.576 -3.634 -16.324 1.00 2.31 H new ATOM 0 HA ASP A 82 -3.248 -4.942 -17.965 1.00 42.53 H new ATOM 0 HB2 ASP A 82 -5.500 -5.614 -16.074 1.00 42.32 H new ATOM 0 HB3 ASP A 82 -5.430 -6.303 -17.683 1.00 42.32 H new ATOM 986 N GLY A 83 -4.733 -2.549 -18.448 1.00 13.01 N ATOM 987 CA GLY A 83 -5.456 -1.701 -19.359 1.00 54.41 C ATOM 988 C GLY A 83 -6.737 -1.134 -18.794 1.00 31.11 C ATOM 989 O GLY A 83 -7.433 -0.386 -19.479 1.00 23.14 O ATOM 0 H GLY A 83 -3.998 -2.076 -17.923 1.00 13.01 H new ATOM 0 HA2 GLY A 83 -4.810 -0.877 -19.661 1.00 54.41 H new ATOM 0 HA3 GLY A 83 -5.690 -2.270 -20.259 1.00 54.41 H new ATOM 993 N GLU A 84 -7.068 -1.467 -17.570 1.00 13.52 N ATOM 994 CA GLU A 84 -8.264 -0.948 -16.979 1.00 2.12 C ATOM 995 C GLU A 84 -7.914 -0.133 -15.769 1.00 40.11 C ATOM 996 O GLU A 84 -6.926 -0.425 -15.081 1.00 43.43 O ATOM 997 CB GLU A 84 -9.209 -2.082 -16.580 1.00 2.13 C ATOM 998 CG GLU A 84 -10.577 -1.610 -16.149 1.00 54.14 C ATOM 999 CD GLU A 84 -11.509 -2.741 -15.858 1.00 50.45 C ATOM 1000 OE1 GLU A 84 -12.056 -3.321 -16.811 1.00 44.44 O ATOM 1001 OE2 GLU A 84 -11.713 -3.072 -14.682 1.00 13.14 O ATOM 0 H GLU A 84 -6.526 -2.091 -16.972 1.00 13.52 H new ATOM 0 HA GLU A 84 -8.769 -0.319 -17.712 1.00 2.12 H new ATOM 0 HB2 GLU A 84 -9.319 -2.765 -17.423 1.00 2.13 H new ATOM 0 HB3 GLU A 84 -8.757 -2.650 -15.766 1.00 2.13 H new ATOM 0 HG2 GLU A 84 -10.479 -0.987 -15.260 1.00 54.14 H new ATOM 0 HG3 GLU A 84 -11.005 -0.984 -16.932 1.00 54.14 H new ATOM 1008 N ALA A 85 -8.685 0.889 -15.523 1.00 12.32 N ATOM 1009 CA ALA A 85 -8.528 1.656 -14.333 1.00 40.34 C ATOM 1010 C ALA A 85 -9.195 0.881 -13.231 1.00 73.14 C ATOM 1011 O ALA A 85 -10.403 0.640 -13.270 1.00 1.35 O ATOM 1012 CB ALA A 85 -9.148 3.039 -14.483 1.00 74.00 C ATOM 0 H ALA A 85 -9.432 1.207 -16.140 1.00 12.32 H new ATOM 0 HA ALA A 85 -7.473 1.816 -14.112 1.00 40.34 H new ATOM 0 HB1 ALA A 85 -9.012 3.601 -13.559 1.00 74.00 H new ATOM 0 HB2 ALA A 85 -8.663 3.568 -15.304 1.00 74.00 H new ATOM 0 HB3 ALA A 85 -10.213 2.939 -14.694 1.00 74.00 H new ATOM 1018 N LYS A 86 -8.426 0.464 -12.292 1.00 63.41 N ATOM 1019 CA LYS A 86 -8.914 -0.360 -11.238 1.00 3.11 C ATOM 1020 C LYS A 86 -9.026 0.489 -10.004 1.00 65.31 C ATOM 1021 O LYS A 86 -8.328 1.513 -9.884 1.00 1.32 O ATOM 1022 CB LYS A 86 -7.926 -1.503 -10.960 1.00 23.04 C ATOM 1023 CG LYS A 86 -7.378 -2.221 -12.201 1.00 21.51 C ATOM 1024 CD LYS A 86 -8.441 -2.854 -13.102 1.00 12.54 C ATOM 1025 CE LYS A 86 -9.200 -3.961 -12.413 1.00 41.22 C ATOM 1026 NZ LYS A 86 -10.103 -4.687 -13.332 1.00 33.13 N ATOM 0 H LYS A 86 -7.432 0.684 -12.229 1.00 63.41 H new ATOM 0 HA LYS A 86 -9.879 -0.783 -11.516 1.00 3.11 H new ATOM 0 HB2 LYS A 86 -7.086 -1.103 -10.393 1.00 23.04 H new ATOM 0 HB3 LYS A 86 -8.419 -2.239 -10.324 1.00 23.04 H new ATOM 0 HG2 LYS A 86 -6.801 -1.508 -12.790 1.00 21.51 H new ATOM 0 HG3 LYS A 86 -6.687 -2.999 -11.877 1.00 21.51 H new ATOM 0 HD2 LYS A 86 -9.142 -2.085 -13.426 1.00 12.54 H new ATOM 0 HD3 LYS A 86 -7.964 -3.249 -13.999 1.00 12.54 H new ATOM 0 HE2 LYS A 86 -8.492 -4.664 -11.974 1.00 41.22 H new ATOM 0 HE3 LYS A 86 -9.783 -3.542 -11.593 1.00 41.22 H new ATOM 0 HZ1 LYS A 86 -10.600 -5.436 -12.810 1.00 33.13 H new ATOM 0 HZ2 LYS A 86 -10.798 -4.024 -13.732 1.00 33.13 H new ATOM 0 HZ3 LYS A 86 -9.547 -5.112 -14.101 1.00 33.13 H new ATOM 1040 N VAL A 87 -9.871 0.096 -9.108 1.00 62.14 N ATOM 1041 CA VAL A 87 -10.033 0.801 -7.879 1.00 43.54 C ATOM 1042 C VAL A 87 -9.607 -0.106 -6.744 1.00 20.21 C ATOM 1043 O VAL A 87 -10.000 -1.283 -6.688 1.00 40.43 O ATOM 1044 CB VAL A 87 -11.512 1.257 -7.661 1.00 61.11 C ATOM 1045 CG1 VAL A 87 -11.668 2.030 -6.352 1.00 23.33 C ATOM 1046 CG2 VAL A 87 -12.000 2.100 -8.836 1.00 51.14 C ATOM 0 H VAL A 87 -10.469 -0.724 -9.208 1.00 62.14 H new ATOM 0 HA VAL A 87 -9.416 1.699 -7.910 1.00 43.54 H new ATOM 0 HB VAL A 87 -12.127 0.359 -7.599 1.00 61.11 H new ATOM 0 HG11 VAL A 87 -12.708 2.333 -6.230 1.00 23.33 H new ATOM 0 HG12 VAL A 87 -11.375 1.394 -5.517 1.00 23.33 H new ATOM 0 HG13 VAL A 87 -11.032 2.915 -6.374 1.00 23.33 H new ATOM 0 HG21 VAL A 87 -13.032 2.405 -8.661 1.00 51.14 H new ATOM 0 HG22 VAL A 87 -11.371 2.985 -8.935 1.00 51.14 H new ATOM 0 HG23 VAL A 87 -11.946 1.513 -9.753 1.00 51.14 H new ATOM 1056 N ALA A 88 -8.803 0.420 -5.869 1.00 3.55 N ATOM 1057 CA ALA A 88 -8.359 -0.306 -4.717 1.00 12.20 C ATOM 1058 C ALA A 88 -9.011 0.286 -3.505 1.00 24.23 C ATOM 1059 O ALA A 88 -8.985 1.510 -3.306 1.00 41.25 O ATOM 1060 CB ALA A 88 -6.853 -0.249 -4.590 1.00 34.13 C ATOM 0 H ALA A 88 -8.435 1.369 -5.934 1.00 3.55 H new ATOM 0 HA ALA A 88 -8.639 -1.355 -4.816 1.00 12.20 H new ATOM 0 HB1 ALA A 88 -6.541 -0.808 -3.708 1.00 34.13 H new ATOM 0 HB2 ALA A 88 -6.396 -0.687 -5.477 1.00 34.13 H new ATOM 0 HB3 ALA A 88 -6.535 0.789 -4.493 1.00 34.13 H new ATOM 1066 N LYS A 89 -9.621 -0.562 -2.727 1.00 55.13 N ATOM 1067 CA LYS A 89 -10.334 -0.150 -1.553 1.00 44.15 C ATOM 1068 C LYS A 89 -9.602 -0.653 -0.328 1.00 41.12 C ATOM 1069 O LYS A 89 -9.301 -1.842 -0.229 1.00 65.10 O ATOM 1070 CB LYS A 89 -11.766 -0.674 -1.646 1.00 42.32 C ATOM 1071 CG LYS A 89 -12.488 -0.151 -2.882 1.00 1.34 C ATOM 1072 CD LYS A 89 -13.784 -0.873 -3.143 1.00 73.23 C ATOM 1073 CE LYS A 89 -14.461 -0.318 -4.378 1.00 23.12 C ATOM 1074 NZ LYS A 89 -15.621 -1.127 -4.779 1.00 2.44 N ATOM 0 H LYS A 89 -9.637 -1.568 -2.892 1.00 55.13 H new ATOM 0 HA LYS A 89 -10.383 0.936 -1.474 1.00 44.15 H new ATOM 0 HB2 LYS A 89 -11.752 -1.764 -1.669 1.00 42.32 H new ATOM 0 HB3 LYS A 89 -12.318 -0.381 -0.753 1.00 42.32 H new ATOM 0 HG2 LYS A 89 -12.688 0.913 -2.759 1.00 1.34 H new ATOM 0 HG3 LYS A 89 -11.837 -0.255 -3.750 1.00 1.34 H new ATOM 0 HD2 LYS A 89 -13.594 -1.938 -3.273 1.00 73.23 H new ATOM 0 HD3 LYS A 89 -14.444 -0.770 -2.282 1.00 73.23 H new ATOM 0 HE2 LYS A 89 -14.782 0.706 -4.187 1.00 23.12 H new ATOM 0 HE3 LYS A 89 -13.744 -0.280 -5.198 1.00 23.12 H new ATOM 0 HZ1 LYS A 89 -16.116 -0.659 -5.565 1.00 2.44 H new ATOM 0 HZ2 LYS A 89 -15.299 -2.068 -5.084 1.00 2.44 H new ATOM 0 HZ3 LYS A 89 -16.270 -1.227 -3.972 1.00 2.44 H new ATOM 1088 N GLU A 90 -9.349 0.228 0.614 1.00 25.23 N ATOM 1089 CA GLU A 90 -8.497 -0.088 1.723 1.00 33.21 C ATOM 1090 C GLU A 90 -8.893 0.670 2.964 1.00 23.11 C ATOM 1091 O GLU A 90 -9.746 1.551 2.924 1.00 64.45 O ATOM 1092 CB GLU A 90 -7.033 0.226 1.326 1.00 14.04 C ATOM 1093 CG GLU A 90 -6.749 1.699 0.941 1.00 70.54 C ATOM 1094 CD GLU A 90 -6.565 2.652 2.130 1.00 33.40 C ATOM 1095 OE1 GLU A 90 -5.451 2.692 2.687 1.00 21.15 O ATOM 1096 OE2 GLU A 90 -7.504 3.380 2.500 1.00 55.11 O ATOM 0 H GLU A 90 -9.728 1.175 0.628 1.00 25.23 H new ATOM 0 HA GLU A 90 -8.598 -1.147 1.959 1.00 33.21 H new ATOM 0 HB2 GLU A 90 -6.383 -0.046 2.158 1.00 14.04 H new ATOM 0 HB3 GLU A 90 -6.758 -0.411 0.485 1.00 14.04 H new ATOM 0 HG2 GLU A 90 -5.850 1.732 0.325 1.00 70.54 H new ATOM 0 HG3 GLU A 90 -7.571 2.064 0.325 1.00 70.54 H new ATOM 1103 N ARG A 91 -8.335 0.254 4.054 1.00 53.11 N ATOM 1104 CA ARG A 91 -8.432 0.933 5.299 1.00 13.11 C ATOM 1105 C ARG A 91 -7.047 0.890 5.943 1.00 52.40 C ATOM 1106 O ARG A 91 -6.317 -0.107 5.756 1.00 72.21 O ATOM 1107 CB ARG A 91 -9.415 0.214 6.218 1.00 44.51 C ATOM 1108 CG ARG A 91 -9.614 0.898 7.556 1.00 41.42 C ATOM 1109 CD ARG A 91 -10.426 0.041 8.489 1.00 1.13 C ATOM 1110 NE ARG A 91 -10.629 0.690 9.791 1.00 23.34 N ATOM 1111 CZ ARG A 91 -10.389 0.114 10.982 1.00 11.04 C ATOM 1112 NH1 ARG A 91 -9.915 -1.128 11.048 1.00 22.41 N ATOM 1113 NH2 ARG A 91 -10.620 0.788 12.101 1.00 21.34 N ATOM 0 H ARG A 91 -7.779 -0.600 4.100 1.00 53.11 H new ATOM 0 HA ARG A 91 -8.778 1.955 5.144 1.00 13.11 H new ATOM 0 HB2 ARG A 91 -10.378 0.135 5.714 1.00 44.51 H new ATOM 0 HB3 ARG A 91 -9.061 -0.803 6.389 1.00 44.51 H new ATOM 0 HG2 ARG A 91 -8.645 1.112 8.006 1.00 41.42 H new ATOM 0 HG3 ARG A 91 -10.115 1.855 7.408 1.00 41.42 H new ATOM 0 HD2 ARG A 91 -11.394 -0.174 8.035 1.00 1.13 H new ATOM 0 HD3 ARG A 91 -9.923 -0.915 8.634 1.00 1.13 H new ATOM 0 HE ARG A 91 -10.978 1.649 9.792 1.00 23.34 H new ATOM 0 HH11 ARG A 91 -9.731 -1.650 10.191 1.00 22.41 H new ATOM 0 HH12 ARG A 91 -9.736 -1.558 11.955 1.00 22.41 H new ATOM 0 HH21 ARG A 91 -10.979 1.742 12.057 1.00 21.34 H new ATOM 0 HH22 ARG A 91 -10.439 0.353 13.005 1.00 21.34 H new ATOM 1127 N ILE A 92 -6.649 1.921 6.658 1.00 10.30 N ATOM 1128 CA ILE A 92 -5.422 1.819 7.435 1.00 14.45 C ATOM 1129 C ILE A 92 -5.749 1.053 8.692 1.00 30.35 C ATOM 1130 O ILE A 92 -6.611 1.464 9.467 1.00 1.25 O ATOM 1131 CB ILE A 92 -4.810 3.213 7.809 1.00 3.04 C ATOM 1132 CG1 ILE A 92 -4.422 3.988 6.540 1.00 44.42 C ATOM 1133 CG2 ILE A 92 -3.592 3.042 8.729 1.00 43.40 C ATOM 1134 CD1 ILE A 92 -3.784 5.343 6.789 1.00 43.33 C ATOM 0 H ILE A 92 -7.136 2.815 6.721 1.00 10.30 H new ATOM 0 HA ILE A 92 -4.670 1.312 6.830 1.00 14.45 H new ATOM 0 HB ILE A 92 -5.566 3.786 8.346 1.00 3.04 H new ATOM 0 HG12 ILE A 92 -3.731 3.379 5.957 1.00 44.42 H new ATOM 0 HG13 ILE A 92 -5.315 4.129 5.931 1.00 44.42 H new ATOM 0 HG21 ILE A 92 -3.183 4.021 8.976 1.00 43.40 H new ATOM 0 HG22 ILE A 92 -3.896 2.534 9.644 1.00 43.40 H new ATOM 0 HG23 ILE A 92 -2.832 2.449 8.220 1.00 43.40 H new ATOM 0 HD11 ILE A 92 -3.545 5.814 5.835 1.00 43.33 H new ATOM 0 HD12 ILE A 92 -4.478 5.976 7.342 1.00 43.33 H new ATOM 0 HD13 ILE A 92 -2.870 5.214 7.369 1.00 43.33 H new ATOM 1146 N GLU A 93 -5.074 -0.041 8.901 1.00 64.20 N ATOM 1147 CA GLU A 93 -5.349 -0.862 10.056 1.00 61.30 C ATOM 1148 C GLU A 93 -4.375 -0.531 11.172 1.00 71.24 C ATOM 1149 O GLU A 93 -4.759 -0.404 12.330 1.00 53.51 O ATOM 1150 CB GLU A 93 -5.255 -2.340 9.674 1.00 64.11 C ATOM 1151 CG GLU A 93 -5.572 -3.311 10.801 1.00 40.41 C ATOM 1152 CD GLU A 93 -6.995 -3.214 11.316 1.00 52.11 C ATOM 1153 OE1 GLU A 93 -7.279 -2.342 12.158 1.00 35.00 O ATOM 1154 OE2 GLU A 93 -7.850 -4.029 10.890 1.00 41.21 O ATOM 0 H GLU A 93 -4.332 -0.388 8.293 1.00 64.20 H new ATOM 0 HA GLU A 93 -6.359 -0.659 10.412 1.00 61.30 H new ATOM 0 HB2 GLU A 93 -5.938 -2.531 8.846 1.00 64.11 H new ATOM 0 HB3 GLU A 93 -4.248 -2.544 9.310 1.00 64.11 H new ATOM 0 HG2 GLU A 93 -5.391 -4.328 10.453 1.00 40.41 H new ATOM 0 HG3 GLU A 93 -4.884 -3.130 11.627 1.00 40.41 H new ATOM 1161 N ALA A 94 -3.132 -0.354 10.816 1.00 32.25 N ATOM 1162 CA ALA A 94 -2.100 -0.048 11.772 1.00 12.02 C ATOM 1163 C ALA A 94 -0.985 0.655 11.068 1.00 3.22 C ATOM 1164 O ALA A 94 -0.669 0.328 9.921 1.00 53.53 O ATOM 1165 CB ALA A 94 -1.579 -1.323 12.427 1.00 32.22 C ATOM 0 H ALA A 94 -2.804 -0.418 9.852 1.00 32.25 H new ATOM 0 HA ALA A 94 -2.511 0.592 12.553 1.00 12.02 H new ATOM 0 HB1 ALA A 94 -0.800 -1.070 13.146 1.00 32.22 H new ATOM 0 HB2 ALA A 94 -2.397 -1.829 12.941 1.00 32.22 H new ATOM 0 HB3 ALA A 94 -1.168 -1.983 11.663 1.00 32.22 H new ATOM 1171 N VAL A 95 -0.419 1.630 11.706 1.00 22.42 N ATOM 1172 CA VAL A 95 0.682 2.349 11.137 1.00 1.32 C ATOM 1173 C VAL A 95 1.649 2.800 12.222 1.00 63.23 C ATOM 1174 O VAL A 95 1.253 3.429 13.204 1.00 34.42 O ATOM 1175 CB VAL A 95 0.214 3.553 10.244 1.00 23.40 C ATOM 1176 CG1 VAL A 95 -0.645 4.540 11.015 1.00 42.42 C ATOM 1177 CG2 VAL A 95 1.398 4.257 9.611 1.00 41.41 C ATOM 0 H VAL A 95 -0.703 1.951 12.632 1.00 22.42 H new ATOM 0 HA VAL A 95 1.209 1.662 10.475 1.00 1.32 H new ATOM 0 HB VAL A 95 -0.405 3.134 9.450 1.00 23.40 H new ATOM 0 HG11 VAL A 95 -0.944 5.355 10.356 1.00 42.42 H new ATOM 0 HG12 VAL A 95 -1.533 4.033 11.391 1.00 42.42 H new ATOM 0 HG13 VAL A 95 -0.075 4.942 11.852 1.00 42.42 H new ATOM 0 HG21 VAL A 95 1.043 5.086 8.999 1.00 41.41 H new ATOM 0 HG22 VAL A 95 2.055 4.638 10.393 1.00 41.41 H new ATOM 0 HG23 VAL A 95 1.948 3.553 8.986 1.00 41.41 H new ATOM 1187 N GLU A 96 2.887 2.443 12.070 1.00 15.43 N ATOM 1188 CA GLU A 96 3.900 2.881 12.979 1.00 70.25 C ATOM 1189 C GLU A 96 4.883 3.709 12.196 1.00 23.21 C ATOM 1190 O GLU A 96 5.674 3.173 11.431 1.00 60.40 O ATOM 1191 CB GLU A 96 4.603 1.667 13.631 1.00 75.23 C ATOM 1192 CG GLU A 96 5.749 2.002 14.559 1.00 3.00 C ATOM 1193 CD GLU A 96 5.374 2.942 15.659 1.00 12.51 C ATOM 1194 OE1 GLU A 96 4.963 2.486 16.735 1.00 24.23 O ATOM 1195 OE2 GLU A 96 5.497 4.151 15.462 1.00 20.22 O ATOM 0 H GLU A 96 3.222 1.843 11.316 1.00 15.43 H new ATOM 0 HA GLU A 96 3.463 3.473 13.783 1.00 70.25 H new ATOM 0 HB2 GLU A 96 3.861 1.096 14.189 1.00 75.23 H new ATOM 0 HB3 GLU A 96 4.977 1.017 12.840 1.00 75.23 H new ATOM 0 HG2 GLU A 96 6.133 1.080 14.996 1.00 3.00 H new ATOM 0 HG3 GLU A 96 6.560 2.441 13.978 1.00 3.00 H new ATOM 1202 N PRO A 97 4.838 5.025 12.357 1.00 5.10 N ATOM 1203 CA PRO A 97 5.743 5.930 11.669 1.00 45.23 C ATOM 1204 C PRO A 97 7.168 5.755 12.143 1.00 44.31 C ATOM 1205 O PRO A 97 8.111 5.956 11.384 1.00 54.32 O ATOM 1206 CB PRO A 97 5.219 7.331 12.033 1.00 3.45 C ATOM 1207 CG PRO A 97 3.838 7.100 12.531 1.00 65.13 C ATOM 1208 CD PRO A 97 3.870 5.761 13.188 1.00 11.33 C ATOM 0 HA PRO A 97 5.765 5.750 10.594 1.00 45.23 H new ATOM 0 HB2 PRO A 97 5.841 7.801 12.795 1.00 3.45 H new ATOM 0 HB3 PRO A 97 5.222 7.992 11.167 1.00 3.45 H new ATOM 0 HG2 PRO A 97 3.540 7.876 13.236 1.00 65.13 H new ATOM 0 HG3 PRO A 97 3.118 7.119 11.713 1.00 65.13 H new ATOM 0 HD2 PRO A 97 4.193 5.826 14.227 1.00 11.33 H new ATOM 0 HD3 PRO A 97 2.890 5.285 13.188 1.00 11.33 H new ATOM 1216 N ASP A 98 7.320 5.330 13.390 1.00 0.31 N ATOM 1217 CA ASP A 98 8.641 5.249 14.008 1.00 41.11 C ATOM 1218 C ASP A 98 9.434 4.090 13.450 1.00 33.32 C ATOM 1219 O ASP A 98 10.640 4.172 13.277 1.00 63.34 O ATOM 1220 CB ASP A 98 8.520 5.143 15.525 1.00 13.31 C ATOM 1221 CG ASP A 98 9.856 5.071 16.228 1.00 32.41 C ATOM 1222 OD1 ASP A 98 10.562 6.105 16.287 1.00 65.00 O ATOM 1223 OD2 ASP A 98 10.198 4.000 16.771 1.00 52.12 O ATOM 0 H ASP A 98 6.551 5.037 13.993 1.00 0.31 H new ATOM 0 HA ASP A 98 9.180 6.166 13.771 1.00 41.11 H new ATOM 0 HB2 ASP A 98 7.966 6.004 15.899 1.00 13.31 H new ATOM 0 HB3 ASP A 98 7.938 4.256 15.775 1.00 13.31 H new ATOM 1228 N LYS A 99 8.742 3.035 13.136 1.00 2.42 N ATOM 1229 CA LYS A 99 9.354 1.844 12.591 1.00 73.42 C ATOM 1230 C LYS A 99 9.192 1.810 11.089 1.00 14.24 C ATOM 1231 O LYS A 99 9.644 0.866 10.436 1.00 34.34 O ATOM 1232 CB LYS A 99 8.723 0.591 13.196 1.00 62.12 C ATOM 1233 CG LYS A 99 8.924 0.434 14.684 1.00 2.02 C ATOM 1234 CD LYS A 99 10.395 0.217 14.998 1.00 63.41 C ATOM 1235 CE LYS A 99 10.638 -0.025 16.480 1.00 73.04 C ATOM 1236 NZ LYS A 99 9.950 -1.240 16.974 1.00 63.31 N ATOM 0 H LYS A 99 7.730 2.969 13.249 1.00 2.42 H new ATOM 0 HA LYS A 99 10.415 1.865 12.840 1.00 73.42 H new ATOM 0 HB2 LYS A 99 7.653 0.604 12.988 1.00 62.12 H new ATOM 0 HB3 LYS A 99 9.135 -0.284 12.694 1.00 62.12 H new ATOM 0 HG2 LYS A 99 8.562 1.322 15.202 1.00 2.02 H new ATOM 0 HG3 LYS A 99 8.339 -0.410 15.050 1.00 2.02 H new ATOM 0 HD2 LYS A 99 10.764 -0.635 14.427 1.00 63.41 H new ATOM 0 HD3 LYS A 99 10.966 1.088 14.676 1.00 63.41 H new ATOM 0 HE2 LYS A 99 11.709 -0.119 16.659 1.00 73.04 H new ATOM 0 HE3 LYS A 99 10.295 0.840 17.048 1.00 73.04 H new ATOM 0 HZ1 LYS A 99 10.290 -1.467 17.930 1.00 63.31 H new ATOM 0 HZ2 LYS A 99 8.924 -1.071 17.003 1.00 63.31 H new ATOM 0 HZ3 LYS A 99 10.152 -2.037 16.336 1.00 63.31 H new ATOM 1250 N ASN A 100 8.537 2.844 10.558 1.00 33.45 N ATOM 1251 CA ASN A 100 8.234 2.971 9.129 1.00 65.52 C ATOM 1252 C ASN A 100 7.437 1.739 8.681 1.00 11.41 C ATOM 1253 O ASN A 100 7.914 0.897 7.924 1.00 2.43 O ATOM 1254 CB ASN A 100 9.533 3.156 8.303 1.00 12.33 C ATOM 1255 CG ASN A 100 9.305 3.502 6.836 1.00 65.44 C ATOM 1256 OD1 ASN A 100 8.311 3.136 6.229 1.00 61.44 O ATOM 1257 ND2 ASN A 100 10.241 4.209 6.258 1.00 53.41 N ATOM 0 H ASN A 100 8.197 3.628 11.115 1.00 33.45 H new ATOM 0 HA ASN A 100 7.628 3.860 8.956 1.00 65.52 H new ATOM 0 HB2 ASN A 100 10.130 3.945 8.761 1.00 12.33 H new ATOM 0 HB3 ASN A 100 10.119 2.239 8.360 1.00 12.33 H new ATOM 0 HD21 ASN A 100 10.151 4.468 5.276 1.00 53.41 H new ATOM 0 HD22 ASN A 100 11.061 4.501 6.790 1.00 53.41 H new ATOM 1264 N LEU A 101 6.250 1.625 9.224 1.00 33.05 N ATOM 1265 CA LEU A 101 5.385 0.483 9.023 1.00 1.52 C ATOM 1266 C LEU A 101 3.981 0.946 8.706 1.00 44.23 C ATOM 1267 O LEU A 101 3.496 1.897 9.318 1.00 60.34 O ATOM 1268 CB LEU A 101 5.316 -0.297 10.329 1.00 20.12 C ATOM 1269 CG LEU A 101 4.402 -1.512 10.341 1.00 2.51 C ATOM 1270 CD1 LEU A 101 4.966 -2.626 9.509 1.00 12.15 C ATOM 1271 CD2 LEU A 101 4.098 -1.959 11.750 1.00 31.15 C ATOM 0 H LEU A 101 5.847 2.338 9.832 1.00 33.05 H new ATOM 0 HA LEU A 101 5.776 -0.123 8.206 1.00 1.52 H new ATOM 0 HB2 LEU A 101 6.324 -0.624 10.585 1.00 20.12 H new ATOM 0 HB3 LEU A 101 4.992 0.383 11.117 1.00 20.12 H new ATOM 0 HG LEU A 101 3.455 -1.219 9.888 1.00 2.51 H new ATOM 0 HD11 LEU A 101 4.289 -3.480 9.538 1.00 12.15 H new ATOM 0 HD12 LEU A 101 5.081 -2.289 8.479 1.00 12.15 H new ATOM 0 HD13 LEU A 101 5.938 -2.920 9.905 1.00 12.15 H new ATOM 0 HD21 LEU A 101 3.442 -2.829 11.722 1.00 31.15 H new ATOM 0 HD22 LEU A 101 5.027 -2.220 12.257 1.00 31.15 H new ATOM 0 HD23 LEU A 101 3.605 -1.151 12.290 1.00 31.15 H new ATOM 1283 N ILE A 102 3.329 0.291 7.780 1.00 42.45 N ATOM 1284 CA ILE A 102 1.945 0.590 7.478 1.00 65.14 C ATOM 1285 C ILE A 102 1.193 -0.657 6.977 1.00 21.22 C ATOM 1286 O ILE A 102 1.648 -1.361 6.065 1.00 12.04 O ATOM 1287 CB ILE A 102 1.799 1.785 6.486 1.00 3.22 C ATOM 1288 CG1 ILE A 102 0.311 2.065 6.169 1.00 31.31 C ATOM 1289 CG2 ILE A 102 2.610 1.553 5.218 1.00 31.11 C ATOM 1290 CD1 ILE A 102 0.079 3.260 5.265 1.00 31.44 C ATOM 0 H ILE A 102 3.733 -0.457 7.217 1.00 42.45 H new ATOM 0 HA ILE A 102 1.480 0.901 8.414 1.00 65.14 H new ATOM 0 HB ILE A 102 2.204 2.674 6.970 1.00 3.22 H new ATOM 0 HG12 ILE A 102 -0.121 1.181 5.701 1.00 31.31 H new ATOM 0 HG13 ILE A 102 -0.224 2.223 7.105 1.00 31.31 H new ATOM 0 HG21 ILE A 102 2.487 2.403 4.547 1.00 31.11 H new ATOM 0 HG22 ILE A 102 3.663 1.442 5.475 1.00 31.11 H new ATOM 0 HG23 ILE A 102 2.260 0.647 4.723 1.00 31.11 H new ATOM 0 HD11 ILE A 102 -0.990 3.385 5.094 1.00 31.44 H new ATOM 0 HD12 ILE A 102 0.478 4.157 5.738 1.00 31.44 H new ATOM 0 HD13 ILE A 102 0.582 3.098 4.312 1.00 31.44 H new ATOM 1302 N THR A 103 0.086 -0.943 7.619 1.00 62.32 N ATOM 1303 CA THR A 103 -0.770 -2.056 7.269 1.00 41.45 C ATOM 1304 C THR A 103 -1.974 -1.586 6.418 1.00 14.52 C ATOM 1305 O THR A 103 -2.765 -0.731 6.860 1.00 51.33 O ATOM 1306 CB THR A 103 -1.330 -2.722 8.552 1.00 53.21 C ATOM 1307 OG1 THR A 103 -0.259 -3.099 9.427 1.00 75.41 O ATOM 1308 CG2 THR A 103 -2.148 -3.954 8.208 1.00 2.54 C ATOM 0 H THR A 103 -0.253 -0.401 8.414 1.00 62.32 H new ATOM 0 HA THR A 103 -0.168 -2.763 6.698 1.00 41.45 H new ATOM 0 HB THR A 103 -1.971 -1.996 9.052 1.00 53.21 H new ATOM 0 HG1 THR A 103 -0.627 -3.517 10.233 1.00 75.41 H new ATOM 0 HG21 THR A 103 -2.530 -4.404 9.124 1.00 2.54 H new ATOM 0 HG22 THR A 103 -2.983 -3.669 7.568 1.00 2.54 H new ATOM 0 HG23 THR A 103 -1.519 -4.674 7.685 1.00 2.54 H new ATOM 1316 N PHE A 104 -2.115 -2.173 5.237 1.00 4.41 N ATOM 1317 CA PHE A 104 -3.226 -1.902 4.340 1.00 53.51 C ATOM 1318 C PHE A 104 -4.198 -3.067 4.463 1.00 43.42 C ATOM 1319 O PHE A 104 -3.786 -4.236 4.388 1.00 24.02 O ATOM 1320 CB PHE A 104 -2.728 -1.814 2.862 1.00 44.42 C ATOM 1321 CG PHE A 104 -1.681 -0.768 2.595 1.00 24.53 C ATOM 1322 CD1 PHE A 104 -2.041 0.530 2.306 1.00 4.24 C ATOM 1323 CD2 PHE A 104 -0.338 -1.093 2.618 1.00 52.05 C ATOM 1324 CE1 PHE A 104 -1.083 1.491 2.051 1.00 52.15 C ATOM 1325 CE2 PHE A 104 0.621 -0.139 2.361 1.00 12.23 C ATOM 1326 CZ PHE A 104 0.249 1.154 2.078 1.00 45.03 C ATOM 0 H PHE A 104 -1.453 -2.858 4.873 1.00 4.41 H new ATOM 0 HA PHE A 104 -3.697 -0.954 4.603 1.00 53.51 H new ATOM 0 HB2 PHE A 104 -2.328 -2.786 2.573 1.00 44.42 H new ATOM 0 HB3 PHE A 104 -3.586 -1.618 2.219 1.00 44.42 H new ATOM 0 HD1 PHE A 104 -3.086 0.799 2.279 1.00 4.24 H new ATOM 0 HD2 PHE A 104 -0.037 -2.106 2.840 1.00 52.05 H new ATOM 0 HE1 PHE A 104 -1.380 2.506 1.831 1.00 52.15 H new ATOM 0 HE2 PHE A 104 1.667 -0.407 2.382 1.00 12.23 H new ATOM 0 HZ PHE A 104 1.001 1.903 1.878 1.00 45.03 H new ATOM 1336 N ARG A 105 -5.454 -2.773 4.707 1.00 22.32 N ATOM 1337 CA ARG A 105 -6.456 -3.809 4.830 1.00 51.23 C ATOM 1338 C ARG A 105 -7.495 -3.555 3.761 1.00 44.14 C ATOM 1339 O ARG A 105 -8.123 -2.506 3.760 1.00 32.01 O ATOM 1340 CB ARG A 105 -7.084 -3.711 6.241 1.00 51.11 C ATOM 1341 CG ARG A 105 -7.889 -4.928 6.762 1.00 61.43 C ATOM 1342 CD ARG A 105 -9.164 -5.262 6.001 1.00 23.23 C ATOM 1343 NE ARG A 105 -9.899 -6.325 6.707 1.00 10.31 N ATOM 1344 CZ ARG A 105 -10.906 -7.072 6.232 1.00 25.02 C ATOM 1345 NH1 ARG A 105 -11.294 -6.985 4.972 1.00 4.40 N ATOM 1346 NH2 ARG A 105 -11.508 -7.936 7.040 1.00 33.41 N ATOM 0 H ARG A 105 -5.808 -1.824 4.825 1.00 22.32 H new ATOM 0 HA ARG A 105 -6.035 -4.806 4.704 1.00 51.23 H new ATOM 0 HB2 ARG A 105 -6.281 -3.512 6.951 1.00 51.11 H new ATOM 0 HB3 ARG A 105 -7.744 -2.843 6.254 1.00 51.11 H new ATOM 0 HG2 ARG A 105 -7.239 -5.803 6.743 1.00 61.43 H new ATOM 0 HG3 ARG A 105 -8.149 -4.746 7.805 1.00 61.43 H new ATOM 0 HD2 ARG A 105 -9.788 -4.373 5.910 1.00 23.23 H new ATOM 0 HD3 ARG A 105 -8.921 -5.585 4.989 1.00 23.23 H new ATOM 0 HE ARG A 105 -9.609 -6.515 7.666 1.00 10.31 H new ATOM 0 HH11 ARG A 105 -10.825 -6.339 4.337 1.00 4.40 H new ATOM 0 HH12 ARG A 105 -12.063 -7.564 4.634 1.00 4.40 H new ATOM 0 HH21 ARG A 105 -11.203 -8.025 8.009 1.00 33.41 H new ATOM 0 HH22 ARG A 105 -12.275 -8.511 6.692 1.00 33.41 H new ATOM 1360 N VAL A 106 -7.667 -4.485 2.854 1.00 21.34 N ATOM 1361 CA VAL A 106 -8.650 -4.313 1.802 1.00 24.13 C ATOM 1362 C VAL A 106 -10.011 -4.617 2.376 1.00 54.32 C ATOM 1363 O VAL A 106 -10.220 -5.690 2.924 1.00 64.05 O ATOM 1364 CB VAL A 106 -8.338 -5.241 0.590 1.00 64.22 C ATOM 1365 CG1 VAL A 106 -9.425 -5.160 -0.472 1.00 25.40 C ATOM 1366 CG2 VAL A 106 -6.998 -4.855 -0.018 1.00 4.24 C ATOM 0 H VAL A 106 -7.147 -5.362 2.819 1.00 21.34 H new ATOM 0 HA VAL A 106 -8.623 -3.287 1.434 1.00 24.13 H new ATOM 0 HB VAL A 106 -8.300 -6.268 0.954 1.00 64.22 H new ATOM 0 HG11 VAL A 106 -9.173 -5.820 -1.302 1.00 25.40 H new ATOM 0 HG12 VAL A 106 -10.378 -5.466 -0.041 1.00 25.40 H new ATOM 0 HG13 VAL A 106 -9.503 -4.135 -0.835 1.00 25.40 H new ATOM 0 HG21 VAL A 106 -6.782 -5.506 -0.865 1.00 4.24 H new ATOM 0 HG22 VAL A 106 -7.037 -3.819 -0.356 1.00 4.24 H new ATOM 0 HG23 VAL A 106 -6.214 -4.963 0.731 1.00 4.24 H new ATOM 1376 N ILE A 107 -10.923 -3.675 2.280 1.00 73.52 N ATOM 1377 CA ILE A 107 -12.238 -3.859 2.882 1.00 11.35 C ATOM 1378 C ILE A 107 -13.261 -4.313 1.856 1.00 65.11 C ATOM 1379 O ILE A 107 -14.236 -4.969 2.191 1.00 52.31 O ATOM 1380 CB ILE A 107 -12.763 -2.595 3.681 1.00 2.00 C ATOM 1381 CG1 ILE A 107 -13.192 -1.399 2.779 1.00 11.13 C ATOM 1382 CG2 ILE A 107 -11.703 -2.125 4.664 1.00 53.44 C ATOM 1383 CD1 ILE A 107 -12.118 -0.793 1.937 1.00 24.15 C ATOM 0 H ILE A 107 -10.789 -2.785 1.800 1.00 73.52 H new ATOM 0 HA ILE A 107 -12.108 -4.649 3.621 1.00 11.35 H new ATOM 0 HB ILE A 107 -13.661 -2.928 4.201 1.00 2.00 H new ATOM 0 HG12 ILE A 107 -13.994 -1.735 2.122 1.00 11.13 H new ATOM 0 HG13 ILE A 107 -13.608 -0.620 3.417 1.00 11.13 H new ATOM 0 HG21 ILE A 107 -12.072 -1.256 5.209 1.00 53.44 H new ATOM 0 HG22 ILE A 107 -11.479 -2.926 5.368 1.00 53.44 H new ATOM 0 HG23 ILE A 107 -10.797 -1.855 4.121 1.00 53.44 H new ATOM 0 HD11 ILE A 107 -12.533 0.029 1.353 1.00 24.15 H new ATOM 0 HD12 ILE A 107 -11.322 -0.416 2.579 1.00 24.15 H new ATOM 0 HD13 ILE A 107 -11.714 -1.549 1.263 1.00 24.15 H new ATOM 1395 N GLU A 108 -13.022 -3.966 0.618 1.00 61.23 N ATOM 1396 CA GLU A 108 -13.878 -4.350 -0.476 1.00 22.02 C ATOM 1397 C GLU A 108 -13.026 -4.395 -1.722 1.00 60.40 C ATOM 1398 O GLU A 108 -12.006 -3.720 -1.782 1.00 74.11 O ATOM 1399 CB GLU A 108 -15.023 -3.335 -0.642 1.00 33.24 C ATOM 1400 CG GLU A 108 -16.027 -3.702 -1.729 1.00 54.23 C ATOM 1401 CD GLU A 108 -17.172 -2.731 -1.830 1.00 41.51 C ATOM 1402 OE1 GLU A 108 -18.120 -2.834 -1.022 1.00 21.20 O ATOM 1403 OE2 GLU A 108 -17.160 -1.866 -2.728 1.00 62.44 O ATOM 0 H GLU A 108 -12.219 -3.403 0.337 1.00 61.23 H new ATOM 0 HA GLU A 108 -14.328 -5.324 -0.287 1.00 22.02 H new ATOM 0 HB2 GLU A 108 -15.550 -3.240 0.307 1.00 33.24 H new ATOM 0 HB3 GLU A 108 -14.598 -2.358 -0.870 1.00 33.24 H new ATOM 0 HG2 GLU A 108 -15.513 -3.749 -2.689 1.00 54.23 H new ATOM 0 HG3 GLU A 108 -16.421 -4.699 -1.530 1.00 54.23 H new ATOM 1410 N GLY A 109 -13.408 -5.184 -2.685 1.00 64.15 N ATOM 1411 CA GLY A 109 -12.643 -5.260 -3.882 1.00 53.52 C ATOM 1412 C GLY A 109 -12.623 -6.647 -4.436 1.00 42.43 C ATOM 1413 O GLY A 109 -13.172 -7.577 -3.833 1.00 52.20 O ATOM 0 H GLY A 109 -14.238 -5.776 -2.660 1.00 64.15 H new ATOM 0 HA2 GLY A 109 -13.058 -4.578 -4.624 1.00 53.52 H new ATOM 0 HA3 GLY A 109 -11.623 -4.932 -3.683 1.00 53.52 H new ATOM 1417 N ASP A 110 -11.979 -6.799 -5.556 1.00 22.22 N ATOM 1418 CA ASP A 110 -11.909 -8.073 -6.255 1.00 44.41 C ATOM 1419 C ASP A 110 -11.079 -9.086 -5.466 1.00 52.50 C ATOM 1420 O ASP A 110 -11.328 -10.285 -5.511 1.00 35.31 O ATOM 1421 CB ASP A 110 -11.336 -7.867 -7.654 1.00 14.30 C ATOM 1422 CG ASP A 110 -11.329 -9.123 -8.475 1.00 5.24 C ATOM 1423 OD1 ASP A 110 -12.361 -9.446 -9.082 1.00 44.11 O ATOM 1424 OD2 ASP A 110 -10.286 -9.786 -8.545 1.00 44.22 O ATOM 0 H ASP A 110 -11.479 -6.043 -6.024 1.00 22.22 H new ATOM 0 HA ASP A 110 -12.917 -8.476 -6.347 1.00 44.41 H new ATOM 0 HB2 ASP A 110 -11.919 -7.105 -8.171 1.00 14.30 H new ATOM 0 HB3 ASP A 110 -10.317 -7.488 -7.571 1.00 14.30 H new ATOM 1429 N LEU A 111 -10.120 -8.590 -4.709 1.00 71.12 N ATOM 1430 CA LEU A 111 -9.278 -9.451 -3.884 1.00 52.24 C ATOM 1431 C LEU A 111 -10.077 -9.975 -2.695 1.00 14.51 C ATOM 1432 O LEU A 111 -9.789 -11.036 -2.149 1.00 64.43 O ATOM 1433 CB LEU A 111 -8.008 -8.724 -3.369 1.00 62.54 C ATOM 1434 CG LEU A 111 -6.982 -8.218 -4.410 1.00 30.45 C ATOM 1435 CD1 LEU A 111 -7.515 -7.049 -5.232 1.00 40.04 C ATOM 1436 CD2 LEU A 111 -5.679 -7.845 -3.733 1.00 70.40 C ATOM 0 H LEU A 111 -9.900 -7.596 -4.644 1.00 71.12 H new ATOM 0 HA LEU A 111 -8.952 -10.277 -4.516 1.00 52.24 H new ATOM 0 HB2 LEU A 111 -8.332 -7.868 -2.777 1.00 62.54 H new ATOM 0 HB3 LEU A 111 -7.488 -9.402 -2.692 1.00 62.54 H new ATOM 0 HG LEU A 111 -6.799 -9.038 -5.105 1.00 30.45 H new ATOM 0 HD11 LEU A 111 -6.757 -6.732 -5.948 1.00 40.04 H new ATOM 0 HD12 LEU A 111 -8.412 -7.360 -5.768 1.00 40.04 H new ATOM 0 HD13 LEU A 111 -7.758 -6.219 -4.569 1.00 40.04 H new ATOM 0 HD21 LEU A 111 -4.969 -7.491 -4.480 1.00 70.40 H new ATOM 0 HD22 LEU A 111 -5.861 -7.056 -3.003 1.00 70.40 H new ATOM 0 HD23 LEU A 111 -5.268 -8.719 -3.228 1.00 70.40 H new ATOM 1448 N MET A 112 -11.112 -9.235 -2.327 1.00 4.15 N ATOM 1449 CA MET A 112 -11.925 -9.561 -1.158 1.00 73.40 C ATOM 1450 C MET A 112 -12.820 -10.778 -1.444 1.00 1.24 C ATOM 1451 O MET A 112 -13.362 -11.391 -0.531 1.00 53.05 O ATOM 1452 CB MET A 112 -12.787 -8.358 -0.761 1.00 24.00 C ATOM 1453 CG MET A 112 -13.531 -8.461 0.592 1.00 33.01 C ATOM 1454 SD MET A 112 -12.520 -8.091 2.083 1.00 55.22 S ATOM 1455 CE MET A 112 -11.214 -9.320 2.072 1.00 41.55 C ATOM 0 H MET A 112 -11.413 -8.397 -2.824 1.00 4.15 H new ATOM 0 HA MET A 112 -11.257 -9.807 -0.332 1.00 73.40 H new ATOM 0 HB2 MET A 112 -12.149 -7.475 -0.734 1.00 24.00 H new ATOM 0 HB3 MET A 112 -13.526 -8.193 -1.545 1.00 24.00 H new ATOM 0 HG2 MET A 112 -14.381 -7.778 0.572 1.00 33.01 H new ATOM 0 HG3 MET A 112 -13.934 -9.469 0.689 1.00 33.01 H new ATOM 0 HE1 MET A 112 -10.585 -9.190 2.952 1.00 41.55 H new ATOM 0 HE2 MET A 112 -11.653 -10.318 2.084 1.00 41.55 H new ATOM 0 HE3 MET A 112 -10.609 -9.200 1.173 1.00 41.55 H new ATOM 1465 N LYS A 113 -12.994 -11.119 -2.714 1.00 43.12 N ATOM 1466 CA LYS A 113 -13.766 -12.295 -3.041 1.00 42.24 C ATOM 1467 C LYS A 113 -12.892 -13.525 -3.168 1.00 44.23 C ATOM 1468 O LYS A 113 -13.387 -14.645 -3.246 1.00 25.11 O ATOM 1469 CB LYS A 113 -14.716 -12.087 -4.235 1.00 10.31 C ATOM 1470 CG LYS A 113 -14.095 -11.695 -5.552 1.00 61.01 C ATOM 1471 CD LYS A 113 -13.264 -12.805 -6.189 1.00 13.41 C ATOM 1472 CE LYS A 113 -14.097 -14.043 -6.550 1.00 65.32 C ATOM 1473 NZ LYS A 113 -15.153 -13.747 -7.545 1.00 64.14 N ATOM 0 H LYS A 113 -12.618 -10.608 -3.513 1.00 43.12 H new ATOM 0 HA LYS A 113 -14.428 -12.478 -2.195 1.00 42.24 H new ATOM 0 HB2 LYS A 113 -15.274 -13.011 -4.387 1.00 10.31 H new ATOM 0 HB3 LYS A 113 -15.439 -11.319 -3.961 1.00 10.31 H new ATOM 0 HG2 LYS A 113 -14.885 -11.401 -6.244 1.00 61.01 H new ATOM 0 HG3 LYS A 113 -13.462 -10.820 -5.400 1.00 61.01 H new ATOM 0 HD2 LYS A 113 -12.784 -12.421 -7.089 1.00 13.41 H new ATOM 0 HD3 LYS A 113 -12.469 -13.096 -5.503 1.00 13.41 H new ATOM 0 HE2 LYS A 113 -13.439 -14.817 -6.944 1.00 65.32 H new ATOM 0 HE3 LYS A 113 -14.556 -14.444 -5.646 1.00 65.32 H new ATOM 0 HZ1 LYS A 113 -15.608 -14.634 -7.843 1.00 64.14 H new ATOM 0 HZ2 LYS A 113 -15.864 -13.119 -7.120 1.00 64.14 H new ATOM 0 HZ3 LYS A 113 -14.729 -13.280 -8.372 1.00 64.14 H new ATOM 1487 N GLU A 114 -11.596 -13.298 -3.187 1.00 52.21 N ATOM 1488 CA GLU A 114 -10.625 -14.378 -3.252 1.00 5.33 C ATOM 1489 C GLU A 114 -10.301 -14.799 -1.867 1.00 53.41 C ATOM 1490 O GLU A 114 -10.388 -15.980 -1.492 1.00 3.34 O ATOM 1491 CB GLU A 114 -9.322 -13.899 -3.855 1.00 22.23 C ATOM 1492 CG GLU A 114 -9.366 -13.439 -5.269 1.00 11.13 C ATOM 1493 CD GLU A 114 -8.010 -12.957 -5.689 1.00 2.23 C ATOM 1494 OE1 GLU A 114 -7.071 -13.783 -5.746 1.00 34.02 O ATOM 1495 OE2 GLU A 114 -7.859 -11.760 -5.983 1.00 63.24 O ATOM 0 H GLU A 114 -11.184 -12.366 -3.158 1.00 52.21 H new ATOM 0 HA GLU A 114 -11.051 -15.181 -3.853 1.00 5.33 H new ATOM 0 HB2 GLU A 114 -8.945 -13.080 -3.243 1.00 22.23 H new ATOM 0 HB3 GLU A 114 -8.597 -14.709 -3.784 1.00 22.23 H new ATOM 0 HG2 GLU A 114 -9.689 -14.254 -5.916 1.00 11.13 H new ATOM 0 HG3 GLU A 114 -10.097 -12.637 -5.378 1.00 11.13 H new ATOM 1502 N TYR A 115 -9.909 -13.825 -1.104 1.00 1.24 N ATOM 1503 CA TYR A 115 -9.514 -14.042 0.218 1.00 34.12 C ATOM 1504 C TYR A 115 -10.568 -13.415 1.067 1.00 74.25 C ATOM 1505 O TYR A 115 -10.964 -12.290 0.820 1.00 1.21 O ATOM 1506 CB TYR A 115 -8.175 -13.340 0.486 1.00 74.22 C ATOM 1507 CG TYR A 115 -7.189 -13.379 -0.674 1.00 33.53 C ATOM 1508 CD1 TYR A 115 -6.599 -14.560 -1.108 1.00 44.54 C ATOM 1509 CD2 TYR A 115 -6.868 -12.209 -1.346 1.00 23.45 C ATOM 1510 CE1 TYR A 115 -5.715 -14.559 -2.177 1.00 70.05 C ATOM 1511 CE2 TYR A 115 -5.997 -12.202 -2.407 1.00 23.45 C ATOM 1512 CZ TYR A 115 -5.422 -13.373 -2.817 1.00 11.43 C ATOM 1513 OH TYR A 115 -4.560 -13.364 -3.885 1.00 41.01 O ATOM 0 H TYR A 115 -9.861 -12.851 -1.404 1.00 1.24 H new ATOM 0 HA TYR A 115 -9.393 -15.105 0.427 1.00 34.12 H new ATOM 0 HB2 TYR A 115 -8.372 -12.299 0.742 1.00 74.22 H new ATOM 0 HB3 TYR A 115 -7.708 -13.800 1.357 1.00 74.22 H new ATOM 0 HD1 TYR A 115 -6.831 -15.489 -0.608 1.00 44.54 H new ATOM 0 HD2 TYR A 115 -7.315 -11.279 -1.026 1.00 23.45 H new ATOM 0 HE1 TYR A 115 -5.259 -15.481 -2.506 1.00 70.05 H new ATOM 0 HE2 TYR A 115 -5.767 -11.277 -2.915 1.00 23.45 H new ATOM 0 HH TYR A 115 -5.068 -13.469 -4.716 1.00 41.01 H new ATOM 1523 N LYS A 116 -11.005 -14.117 2.067 1.00 25.44 N ATOM 1524 CA LYS A 116 -12.051 -13.623 2.964 1.00 65.21 C ATOM 1525 C LYS A 116 -11.526 -12.526 3.891 1.00 23.12 C ATOM 1526 O LYS A 116 -12.282 -11.898 4.633 1.00 32.21 O ATOM 1527 CB LYS A 116 -12.685 -14.784 3.730 1.00 42.11 C ATOM 1528 CG LYS A 116 -11.669 -15.712 4.374 1.00 31.20 C ATOM 1529 CD LYS A 116 -12.329 -16.908 5.047 1.00 72.31 C ATOM 1530 CE LYS A 116 -13.194 -16.500 6.226 1.00 55.13 C ATOM 1531 NZ LYS A 116 -13.814 -17.667 6.879 1.00 45.42 N ATOM 0 H LYS A 116 -10.660 -15.048 2.300 1.00 25.44 H new ATOM 0 HA LYS A 116 -12.834 -13.161 2.362 1.00 65.21 H new ATOM 0 HB2 LYS A 116 -13.341 -14.384 4.503 1.00 42.11 H new ATOM 0 HB3 LYS A 116 -13.311 -15.360 3.048 1.00 42.11 H new ATOM 0 HG2 LYS A 116 -10.969 -16.064 3.616 1.00 31.20 H new ATOM 0 HG3 LYS A 116 -11.088 -15.157 5.111 1.00 31.20 H new ATOM 0 HD2 LYS A 116 -12.940 -17.441 4.318 1.00 72.31 H new ATOM 0 HD3 LYS A 116 -11.560 -17.602 5.386 1.00 72.31 H new ATOM 0 HE2 LYS A 116 -12.588 -15.957 6.951 1.00 55.13 H new ATOM 0 HE3 LYS A 116 -13.973 -15.817 5.887 1.00 55.13 H new ATOM 0 HZ1 LYS A 116 -14.397 -17.348 7.679 1.00 45.42 H new ATOM 0 HZ2 LYS A 116 -14.413 -18.171 6.194 1.00 45.42 H new ATOM 0 HZ3 LYS A 116 -13.071 -18.307 7.225 1.00 45.42 H new ATOM 1545 N SER A 117 -10.236 -12.311 3.822 1.00 2.22 N ATOM 1546 CA SER A 117 -9.551 -11.280 4.530 1.00 52.45 C ATOM 1547 C SER A 117 -8.195 -11.129 3.884 1.00 1.02 C ATOM 1548 O SER A 117 -7.557 -12.139 3.554 1.00 40.12 O ATOM 1549 CB SER A 117 -9.434 -11.633 6.008 1.00 53.43 C ATOM 1550 OG SER A 117 -8.781 -10.611 6.751 1.00 73.41 O ATOM 0 H SER A 117 -9.616 -12.879 3.244 1.00 2.22 H new ATOM 0 HA SER A 117 -10.096 -10.338 4.480 1.00 52.45 H new ATOM 0 HB2 SER A 117 -10.429 -11.801 6.420 1.00 53.43 H new ATOM 0 HB3 SER A 117 -8.883 -12.567 6.115 1.00 53.43 H new ATOM 0 HG SER A 117 -8.728 -10.875 7.693 1.00 73.41 H new ATOM 1556 N PHE A 118 -7.776 -9.900 3.658 1.00 10.21 N ATOM 1557 CA PHE A 118 -6.524 -9.640 2.993 1.00 31.33 C ATOM 1558 C PHE A 118 -5.816 -8.441 3.603 1.00 71.43 C ATOM 1559 O PHE A 118 -6.363 -7.323 3.646 1.00 34.12 O ATOM 1560 CB PHE A 118 -6.746 -9.448 1.474 1.00 63.42 C ATOM 1561 CG PHE A 118 -5.495 -9.118 0.691 1.00 73.13 C ATOM 1562 CD1 PHE A 118 -4.561 -10.092 0.402 1.00 22.00 C ATOM 1563 CD2 PHE A 118 -5.260 -7.833 0.254 1.00 55.40 C ATOM 1564 CE1 PHE A 118 -3.420 -9.790 -0.305 1.00 51.31 C ATOM 1565 CE2 PHE A 118 -4.120 -7.523 -0.453 1.00 22.22 C ATOM 1566 CZ PHE A 118 -3.200 -8.501 -0.731 1.00 22.52 C ATOM 0 H PHE A 118 -8.292 -9.063 3.929 1.00 10.21 H new ATOM 0 HA PHE A 118 -5.878 -10.506 3.134 1.00 31.33 H new ATOM 0 HB2 PHE A 118 -7.184 -10.359 1.066 1.00 63.42 H new ATOM 0 HB3 PHE A 118 -7.473 -8.650 1.325 1.00 63.42 H new ATOM 0 HD1 PHE A 118 -4.728 -11.106 0.736 1.00 22.00 H new ATOM 0 HD2 PHE A 118 -5.980 -7.058 0.469 1.00 55.40 H new ATOM 0 HE1 PHE A 118 -2.699 -10.563 -0.525 1.00 51.31 H new ATOM 0 HE2 PHE A 118 -3.951 -6.510 -0.788 1.00 22.22 H new ATOM 0 HZ PHE A 118 -2.304 -8.259 -1.284 1.00 22.52 H new ATOM 1576 N LEU A 119 -4.626 -8.689 4.083 1.00 52.22 N ATOM 1577 CA LEU A 119 -3.768 -7.692 4.660 1.00 70.24 C ATOM 1578 C LEU A 119 -2.471 -7.649 3.958 1.00 63.41 C ATOM 1579 O LEU A 119 -1.954 -8.663 3.499 1.00 41.40 O ATOM 1580 CB LEU A 119 -3.493 -7.984 6.129 1.00 71.50 C ATOM 1581 CG LEU A 119 -4.616 -7.704 7.069 1.00 63.11 C ATOM 1582 CD1 LEU A 119 -4.363 -8.374 8.407 1.00 45.45 C ATOM 1583 CD2 LEU A 119 -4.733 -6.215 7.283 1.00 51.13 C ATOM 0 H LEU A 119 -4.215 -9.623 4.082 1.00 52.22 H new ATOM 0 HA LEU A 119 -4.284 -6.737 4.563 1.00 70.24 H new ATOM 0 HB2 LEU A 119 -3.217 -9.034 6.225 1.00 71.50 H new ATOM 0 HB3 LEU A 119 -2.629 -7.397 6.441 1.00 71.50 H new ATOM 0 HG LEU A 119 -5.538 -8.095 6.639 1.00 63.11 H new ATOM 0 HD11 LEU A 119 -5.191 -8.161 9.083 1.00 45.45 H new ATOM 0 HD12 LEU A 119 -4.279 -9.451 8.264 1.00 45.45 H new ATOM 0 HD13 LEU A 119 -3.437 -7.992 8.836 1.00 45.45 H new ATOM 0 HD21 LEU A 119 -5.554 -6.010 7.970 1.00 51.13 H new ATOM 0 HD22 LEU A 119 -3.803 -5.834 7.705 1.00 51.13 H new ATOM 0 HD23 LEU A 119 -4.927 -5.724 6.329 1.00 51.13 H new ATOM 1595 N LEU A 120 -1.962 -6.499 3.869 1.00 52.55 N ATOM 1596 CA LEU A 120 -0.640 -6.284 3.339 1.00 33.44 C ATOM 1597 C LEU A 120 0.029 -5.192 4.121 1.00 75.13 C ATOM 1598 O LEU A 120 -0.461 -4.076 4.196 1.00 11.54 O ATOM 1599 CB LEU A 120 -0.583 -6.029 1.804 1.00 32.40 C ATOM 1600 CG LEU A 120 -1.282 -4.785 1.228 1.00 61.31 C ATOM 1601 CD1 LEU A 120 -0.917 -4.623 -0.231 1.00 3.15 C ATOM 1602 CD2 LEU A 120 -2.793 -4.886 1.356 1.00 30.02 C ATOM 0 H LEU A 120 -2.439 -5.646 4.160 1.00 52.55 H new ATOM 0 HA LEU A 120 -0.092 -7.218 3.461 1.00 33.44 H new ATOM 0 HB2 LEU A 120 0.467 -5.978 1.518 1.00 32.40 H new ATOM 0 HB3 LEU A 120 -1.006 -6.903 1.309 1.00 32.40 H new ATOM 0 HG LEU A 120 -0.945 -3.919 1.798 1.00 61.31 H new ATOM 0 HD11 LEU A 120 -1.414 -3.741 -0.635 1.00 3.15 H new ATOM 0 HD12 LEU A 120 0.163 -4.506 -0.325 1.00 3.15 H new ATOM 0 HD13 LEU A 120 -1.236 -5.505 -0.786 1.00 3.15 H new ATOM 0 HD21 LEU A 120 -3.254 -3.991 0.939 1.00 30.02 H new ATOM 0 HD22 LEU A 120 -3.146 -5.762 0.813 1.00 30.02 H new ATOM 0 HD23 LEU A 120 -3.064 -4.977 2.408 1.00 30.02 H new ATOM 1614 N THR A 121 1.104 -5.519 4.742 1.00 71.42 N ATOM 1615 CA THR A 121 1.791 -4.606 5.566 1.00 43.43 C ATOM 1616 C THR A 121 3.174 -4.380 5.014 1.00 63.13 C ATOM 1617 O THR A 121 3.874 -5.338 4.696 1.00 22.41 O ATOM 1618 CB THR A 121 1.885 -5.181 6.978 1.00 32.20 C ATOM 1619 OG1 THR A 121 0.569 -5.552 7.408 1.00 51.14 O ATOM 1620 CG2 THR A 121 2.443 -4.164 7.933 1.00 33.32 C ATOM 0 H THR A 121 1.533 -6.443 4.688 1.00 71.42 H new ATOM 0 HA THR A 121 1.257 -3.656 5.595 1.00 43.43 H new ATOM 0 HB THR A 121 2.548 -6.046 6.966 1.00 32.20 H new ATOM 0 HG1 THR A 121 0.614 -5.925 8.313 1.00 51.14 H new ATOM 0 HG21 THR A 121 2.501 -4.596 8.932 1.00 33.32 H new ATOM 0 HG22 THR A 121 3.440 -3.868 7.608 1.00 33.32 H new ATOM 0 HG23 THR A 121 1.793 -3.289 7.953 1.00 33.32 H new ATOM 1628 N ILE A 122 3.559 -3.149 4.886 1.00 53.53 N ATOM 1629 CA ILE A 122 4.865 -2.844 4.396 1.00 71.24 C ATOM 1630 C ILE A 122 5.648 -2.126 5.445 1.00 1.44 C ATOM 1631 O ILE A 122 5.091 -1.357 6.242 1.00 50.10 O ATOM 1632 CB ILE A 122 4.856 -2.004 3.094 1.00 61.32 C ATOM 1633 CG1 ILE A 122 4.167 -0.664 3.295 1.00 34.11 C ATOM 1634 CG2 ILE A 122 4.198 -2.773 1.975 1.00 50.34 C ATOM 1635 CD1 ILE A 122 4.198 0.237 2.068 1.00 3.34 C ATOM 0 H ILE A 122 2.985 -2.337 5.115 1.00 53.53 H new ATOM 0 HA ILE A 122 5.332 -3.799 4.154 1.00 71.24 H new ATOM 0 HB ILE A 122 5.893 -1.804 2.823 1.00 61.32 H new ATOM 0 HG12 ILE A 122 3.129 -0.839 3.579 1.00 34.11 H new ATOM 0 HG13 ILE A 122 4.641 -0.144 4.127 1.00 34.11 H new ATOM 0 HG21 ILE A 122 4.200 -2.169 1.068 1.00 50.34 H new ATOM 0 HG22 ILE A 122 4.747 -3.697 1.796 1.00 50.34 H new ATOM 0 HG23 ILE A 122 3.170 -3.009 2.251 1.00 50.34 H new ATOM 0 HD11 ILE A 122 3.687 1.173 2.291 1.00 3.34 H new ATOM 0 HD12 ILE A 122 5.233 0.445 1.795 1.00 3.34 H new ATOM 0 HD13 ILE A 122 3.697 -0.261 1.238 1.00 3.34 H new ATOM 1647 N GLN A 123 6.906 -2.407 5.486 1.00 61.04 N ATOM 1648 CA GLN A 123 7.793 -1.756 6.384 1.00 23.01 C ATOM 1649 C GLN A 123 9.070 -1.463 5.637 1.00 63.34 C ATOM 1650 O GLN A 123 9.685 -2.373 5.049 1.00 23.21 O ATOM 1651 CB GLN A 123 8.019 -2.622 7.635 1.00 61.23 C ATOM 1652 CG GLN A 123 8.819 -1.943 8.738 1.00 22.44 C ATOM 1653 CD GLN A 123 8.768 -2.702 10.052 1.00 43.21 C ATOM 1654 OE1 GLN A 123 8.823 -1.975 11.145 1.00 25.05 O flip ATOM 1655 NE2 GLN A 123 8.652 -3.932 10.082 1.00 3.20 N flip ATOM 0 H GLN A 123 7.351 -3.104 4.889 1.00 61.04 H new ATOM 0 HA GLN A 123 7.373 -0.816 6.741 1.00 23.01 H new ATOM 0 HB2 GLN A 123 7.050 -2.918 8.036 1.00 61.23 H new ATOM 0 HB3 GLN A 123 8.534 -3.536 7.340 1.00 61.23 H new ATOM 0 HG2 GLN A 123 9.857 -1.845 8.420 1.00 22.44 H new ATOM 0 HG3 GLN A 123 8.435 -0.934 8.891 1.00 22.44 H new ATOM 0 HE21 GLN A 123 8.613 -4.462 9.211 1.00 3.20 H new ATOM 0 HE22 GLN A 123 8.595 -4.417 10.977 1.00 3.20 H new ATOM 1664 N VAL A 124 9.448 -0.213 5.619 1.00 22.10 N ATOM 1665 CA VAL A 124 10.595 0.217 4.863 1.00 64.52 C ATOM 1666 C VAL A 124 11.812 0.252 5.762 1.00 3.23 C ATOM 1667 O VAL A 124 11.876 1.015 6.730 1.00 75.53 O ATOM 1668 CB VAL A 124 10.355 1.598 4.204 1.00 73.53 C ATOM 1669 CG1 VAL A 124 11.557 2.033 3.401 1.00 53.50 C ATOM 1670 CG2 VAL A 124 9.113 1.569 3.320 1.00 41.01 C ATOM 0 H VAL A 124 8.972 0.534 6.125 1.00 22.10 H new ATOM 0 HA VAL A 124 10.766 -0.498 4.058 1.00 64.52 H new ATOM 0 HB VAL A 124 10.196 2.322 5.003 1.00 73.53 H new ATOM 0 HG11 VAL A 124 11.360 3.006 2.950 1.00 53.50 H new ATOM 0 HG12 VAL A 124 12.425 2.106 4.056 1.00 53.50 H new ATOM 0 HG13 VAL A 124 11.754 1.302 2.617 1.00 53.50 H new ATOM 0 HG21 VAL A 124 8.965 2.550 2.868 1.00 41.01 H new ATOM 0 HG22 VAL A 124 9.242 0.824 2.535 1.00 41.01 H new ATOM 0 HG23 VAL A 124 8.243 1.313 3.924 1.00 41.01 H new ATOM 1680 N THR A 125 12.749 -0.579 5.446 1.00 23.05 N ATOM 1681 CA THR A 125 13.929 -0.779 6.230 1.00 34.31 C ATOM 1682 C THR A 125 15.150 -0.616 5.318 1.00 23.25 C ATOM 1683 O THR A 125 15.107 -1.058 4.199 1.00 64.14 O ATOM 1684 CB THR A 125 13.873 -2.220 6.793 1.00 65.31 C ATOM 1685 OG1 THR A 125 12.650 -2.388 7.530 1.00 5.43 O ATOM 1686 CG2 THR A 125 15.043 -2.534 7.698 1.00 11.40 C ATOM 0 H THR A 125 12.716 -1.158 4.607 1.00 23.05 H new ATOM 0 HA THR A 125 13.996 -0.061 7.047 1.00 34.31 H new ATOM 0 HB THR A 125 13.919 -2.906 5.947 1.00 65.31 H new ATOM 0 HG1 THR A 125 12.607 -3.299 7.888 1.00 5.43 H new ATOM 0 HG21 THR A 125 14.955 -3.556 8.065 1.00 11.40 H new ATOM 0 HG22 THR A 125 15.973 -2.428 7.140 1.00 11.40 H new ATOM 0 HG23 THR A 125 15.046 -1.844 8.542 1.00 11.40 H new ATOM 1694 N PRO A 126 16.224 0.063 5.781 1.00 52.22 N ATOM 1695 CA PRO A 126 17.467 0.276 4.992 1.00 62.30 C ATOM 1696 C PRO A 126 17.974 -0.991 4.263 1.00 63.41 C ATOM 1697 O PRO A 126 17.811 -2.128 4.751 1.00 73.14 O ATOM 1698 CB PRO A 126 18.474 0.699 6.056 1.00 41.24 C ATOM 1699 CG PRO A 126 17.657 1.370 7.102 1.00 41.33 C ATOM 1700 CD PRO A 126 16.313 0.698 7.106 1.00 64.22 C ATOM 0 HA PRO A 126 17.306 0.999 4.192 1.00 62.30 H new ATOM 0 HB2 PRO A 126 19.007 -0.161 6.461 1.00 41.24 H new ATOM 0 HB3 PRO A 126 19.224 1.375 5.645 1.00 41.24 H new ATOM 0 HG2 PRO A 126 18.134 1.284 8.078 1.00 41.33 H new ATOM 0 HG3 PRO A 126 17.556 2.434 6.889 1.00 41.33 H new ATOM 0 HD2 PRO A 126 16.238 -0.038 7.906 1.00 64.22 H new ATOM 0 HD3 PRO A 126 15.508 1.417 7.258 1.00 64.22 H new ATOM 1708 N LYS A 127 18.570 -0.787 3.101 1.00 11.43 N ATOM 1709 CA LYS A 127 19.126 -1.876 2.307 1.00 40.12 C ATOM 1710 C LYS A 127 20.384 -2.404 2.969 1.00 2.25 C ATOM 1711 O LYS A 127 21.091 -1.644 3.640 1.00 15.24 O ATOM 1712 CB LYS A 127 19.472 -1.394 0.888 1.00 53.41 C ATOM 1713 CG LYS A 127 18.286 -1.001 0.031 1.00 71.34 C ATOM 1714 CD LYS A 127 18.684 -0.348 -1.314 1.00 34.12 C ATOM 1715 CE LYS A 127 19.329 -1.297 -2.342 1.00 70.23 C ATOM 1716 NZ LYS A 127 20.597 -1.914 -1.895 1.00 32.43 N ATOM 0 H LYS A 127 18.683 0.135 2.680 1.00 11.43 H new ATOM 0 HA LYS A 127 18.379 -2.667 2.242 1.00 40.12 H new ATOM 0 HB2 LYS A 127 20.142 -0.538 0.966 1.00 53.41 H new ATOM 0 HB3 LYS A 127 20.022 -2.184 0.378 1.00 53.41 H new ATOM 0 HG2 LYS A 127 17.683 -1.887 -0.169 1.00 71.34 H new ATOM 0 HG3 LYS A 127 17.658 -0.308 0.590 1.00 71.34 H new ATOM 0 HD2 LYS A 127 17.794 0.095 -1.761 1.00 34.12 H new ATOM 0 HD3 LYS A 127 19.378 0.468 -1.112 1.00 34.12 H new ATOM 0 HE2 LYS A 127 18.619 -2.089 -2.582 1.00 70.23 H new ATOM 0 HE3 LYS A 127 19.513 -0.744 -3.263 1.00 70.23 H new ATOM 0 HZ1 LYS A 127 21.238 -2.018 -2.708 1.00 32.43 H new ATOM 0 HZ2 LYS A 127 21.044 -1.308 -1.177 1.00 32.43 H new ATOM 0 HZ3 LYS A 127 20.402 -2.850 -1.485 1.00 32.43 H new ATOM 1772 N GLY A 132 19.999 3.631 0.631 1.00 13.34 N ATOM 1773 CA GLY A 132 18.717 3.199 0.136 1.00 33.12 C ATOM 1774 C GLY A 132 17.977 2.329 1.129 1.00 52.31 C ATOM 1775 O GLY A 132 18.509 1.977 2.190 1.00 40.31 O ATOM 0 HA2 GLY A 132 18.109 4.072 -0.101 1.00 33.12 H new ATOM 0 HA3 GLY A 132 18.857 2.646 -0.793 1.00 33.12 H new ATOM 1779 N SER A 133 16.768 1.964 0.798 1.00 2.13 N ATOM 1780 CA SER A 133 15.988 1.131 1.658 1.00 61.42 C ATOM 1781 C SER A 133 15.240 0.055 0.889 1.00 51.01 C ATOM 1782 O SER A 133 15.075 0.136 -0.334 1.00 44.41 O ATOM 1783 CB SER A 133 15.077 1.972 2.563 1.00 24.15 C ATOM 1784 OG SER A 133 14.286 2.875 1.817 1.00 13.23 O ATOM 0 H SER A 133 16.303 2.235 -0.069 1.00 2.13 H new ATOM 0 HA SER A 133 16.673 0.595 2.315 1.00 61.42 H new ATOM 0 HB2 SER A 133 14.429 1.312 3.140 1.00 24.15 H new ATOM 0 HB3 SER A 133 15.686 2.526 3.277 1.00 24.15 H new ATOM 0 HG SER A 133 14.862 3.403 1.225 1.00 13.23 H new ATOM 1790 N ILE A 134 14.859 -0.957 1.587 1.00 53.34 N ATOM 1791 CA ILE A 134 14.161 -2.054 1.040 1.00 62.34 C ATOM 1792 C ILE A 134 12.734 -1.957 1.634 1.00 64.44 C ATOM 1793 O ILE A 134 12.555 -1.466 2.766 1.00 42.53 O ATOM 1794 CB ILE A 134 14.835 -3.416 1.533 1.00 42.40 C ATOM 1795 CG1 ILE A 134 14.630 -4.535 0.558 1.00 41.14 C ATOM 1796 CG2 ILE A 134 14.321 -3.867 2.863 1.00 11.51 C ATOM 1797 CD1 ILE A 134 15.516 -4.418 -0.614 1.00 74.52 C ATOM 0 H ILE A 134 15.034 -1.041 2.588 1.00 53.34 H new ATOM 0 HA ILE A 134 14.166 -2.042 -0.050 1.00 62.34 H new ATOM 0 HB ILE A 134 15.897 -3.185 1.615 1.00 42.40 H new ATOM 0 HG12 ILE A 134 14.812 -5.487 1.056 1.00 41.14 H new ATOM 0 HG13 ILE A 134 13.591 -4.542 0.228 1.00 41.14 H new ATOM 0 HG21 ILE A 134 14.814 -4.797 3.147 1.00 11.51 H new ATOM 0 HG22 ILE A 134 14.529 -3.102 3.612 1.00 11.51 H new ATOM 0 HG23 ILE A 134 13.245 -4.031 2.801 1.00 11.51 H new ATOM 0 HD11 ILE A 134 15.332 -5.250 -1.293 1.00 74.52 H new ATOM 0 HD12 ILE A 134 15.316 -3.478 -1.129 1.00 74.52 H new ATOM 0 HD13 ILE A 134 16.556 -4.439 -0.288 1.00 74.52 H new ATOM 1809 N VAL A 135 11.761 -2.357 0.918 1.00 10.02 N ATOM 1810 CA VAL A 135 10.441 -2.395 1.457 1.00 42.41 C ATOM 1811 C VAL A 135 10.021 -3.839 1.659 1.00 1.43 C ATOM 1812 O VAL A 135 10.007 -4.634 0.719 1.00 3.20 O ATOM 1813 CB VAL A 135 9.402 -1.581 0.608 1.00 34.03 C ATOM 1814 CG1 VAL A 135 9.351 -2.027 -0.836 1.00 24.12 C ATOM 1815 CG2 VAL A 135 8.016 -1.630 1.241 1.00 4.45 C ATOM 0 H VAL A 135 11.842 -2.667 -0.050 1.00 10.02 H new ATOM 0 HA VAL A 135 10.457 -1.894 2.425 1.00 42.41 H new ATOM 0 HB VAL A 135 9.745 -0.547 0.606 1.00 34.03 H new ATOM 0 HG11 VAL A 135 8.616 -1.430 -1.375 1.00 24.12 H new ATOM 0 HG12 VAL A 135 10.332 -1.894 -1.293 1.00 24.12 H new ATOM 0 HG13 VAL A 135 9.069 -3.079 -0.882 1.00 24.12 H new ATOM 0 HG21 VAL A 135 7.317 -1.058 0.631 1.00 4.45 H new ATOM 0 HG22 VAL A 135 7.680 -2.665 1.302 1.00 4.45 H new ATOM 0 HG23 VAL A 135 8.058 -1.202 2.243 1.00 4.45 H new ATOM 1825 N HIS A 136 9.750 -4.187 2.889 1.00 62.33 N ATOM 1826 CA HIS A 136 9.330 -5.533 3.208 1.00 61.54 C ATOM 1827 C HIS A 136 7.826 -5.625 3.124 1.00 2.15 C ATOM 1828 O HIS A 136 7.120 -5.025 3.935 1.00 74.25 O ATOM 1829 CB HIS A 136 9.807 -5.970 4.619 1.00 2.32 C ATOM 1830 CG HIS A 136 11.290 -6.132 4.784 1.00 3.20 C ATOM 1831 ND1 HIS A 136 11.948 -7.306 4.505 1.00 53.41 N ATOM 1832 CD2 HIS A 136 12.232 -5.280 5.243 1.00 63.13 C ATOM 1833 CE1 HIS A 136 13.227 -7.174 4.783 1.00 55.35 C ATOM 1834 NE2 HIS A 136 13.429 -5.952 5.236 1.00 52.12 N ATOM 0 H HIS A 136 9.812 -3.559 3.690 1.00 62.33 H new ATOM 0 HA HIS A 136 9.787 -6.207 2.483 1.00 61.54 H new ATOM 0 HB2 HIS A 136 9.458 -5.235 5.344 1.00 2.32 H new ATOM 0 HB3 HIS A 136 9.327 -6.916 4.868 1.00 2.32 H new ATOM 0 HD2 HIS A 136 12.073 -4.259 5.557 1.00 63.13 H new ATOM 0 HE1 HIS A 136 13.982 -7.936 4.661 1.00 55.35 H new ATOM 0 HE2 HIS A 136 14.327 -5.569 5.532 1.00 52.12 H new ATOM 1843 N TRP A 137 7.341 -6.349 2.144 1.00 54.13 N ATOM 1844 CA TRP A 137 5.920 -6.537 1.966 1.00 44.34 C ATOM 1845 C TRP A 137 5.497 -7.805 2.639 1.00 40.02 C ATOM 1846 O TRP A 137 6.011 -8.882 2.328 1.00 11.30 O ATOM 1847 CB TRP A 137 5.547 -6.656 0.483 1.00 10.54 C ATOM 1848 CG TRP A 137 5.785 -5.446 -0.354 1.00 3.22 C ATOM 1849 CD1 TRP A 137 6.981 -4.941 -0.780 1.00 35.24 C ATOM 1850 CD2 TRP A 137 4.778 -4.603 -0.903 1.00 22.50 C ATOM 1851 NE1 TRP A 137 6.762 -3.834 -1.551 1.00 20.41 N ATOM 1852 CE2 TRP A 137 5.425 -3.604 -1.638 1.00 12.31 C ATOM 1853 CE3 TRP A 137 3.381 -4.596 -0.837 1.00 40.44 C ATOM 1854 CZ2 TRP A 137 4.740 -2.607 -2.302 1.00 0.41 C ATOM 1855 CZ3 TRP A 137 2.695 -3.603 -1.498 1.00 51.51 C ATOM 1856 CH2 TRP A 137 3.375 -2.620 -2.222 1.00 43.55 C ATOM 0 H TRP A 137 7.918 -6.823 1.449 1.00 54.13 H new ATOM 0 HA TRP A 137 5.420 -5.669 2.396 1.00 44.34 H new ATOM 0 HB2 TRP A 137 6.109 -7.486 0.054 1.00 10.54 H new ATOM 0 HB3 TRP A 137 4.491 -6.917 0.415 1.00 10.54 H new ATOM 0 HD1 TRP A 137 7.951 -5.353 -0.544 1.00 35.24 H new ATOM 0 HE1 TRP A 137 7.488 -3.269 -1.992 1.00 20.41 H new ATOM 0 HE3 TRP A 137 2.852 -5.354 -0.279 1.00 40.44 H new ATOM 0 HZ2 TRP A 137 5.262 -1.846 -2.863 1.00 0.41 H new ATOM 0 HZ3 TRP A 137 1.616 -3.583 -1.457 1.00 51.51 H new ATOM 0 HH2 TRP A 137 2.809 -1.853 -2.730 1.00 43.55 H new ATOM 1867 N HIS A 138 4.585 -7.700 3.545 1.00 15.22 N ATOM 1868 CA HIS A 138 4.045 -8.868 4.173 1.00 45.13 C ATOM 1869 C HIS A 138 2.606 -8.911 3.819 1.00 54.44 C ATOM 1870 O HIS A 138 1.836 -8.065 4.260 1.00 33.22 O ATOM 1871 CB HIS A 138 4.147 -8.800 5.700 1.00 34.24 C ATOM 1872 CG HIS A 138 5.493 -8.492 6.232 1.00 32.13 C ATOM 1873 ND1 HIS A 138 6.463 -9.438 6.475 1.00 60.51 N ATOM 1874 CD2 HIS A 138 6.023 -7.313 6.579 1.00 22.12 C ATOM 1875 CE1 HIS A 138 7.529 -8.843 6.950 1.00 22.23 C ATOM 1876 NE2 HIS A 138 7.289 -7.552 7.025 1.00 63.42 N ATOM 0 H HIS A 138 4.194 -6.816 3.871 1.00 15.22 H new ATOM 0 HA HIS A 138 4.600 -9.744 3.836 1.00 45.13 H new ATOM 0 HB2 HIS A 138 3.450 -8.043 6.061 1.00 34.24 H new ATOM 0 HB3 HIS A 138 3.822 -9.755 6.112 1.00 34.24 H new ATOM 0 HD1 HIS A 138 6.367 -10.440 6.312 1.00 60.51 H new ATOM 0 HD2 HIS A 138 5.538 -6.350 6.517 1.00 22.12 H new ATOM 0 HE1 HIS A 138 8.450 -9.331 7.233 1.00 22.23 H new ATOM 1885 N LEU A 139 2.234 -9.847 3.040 1.00 72.35 N ATOM 1886 CA LEU A 139 0.873 -9.991 2.683 1.00 43.22 C ATOM 1887 C LEU A 139 0.364 -11.185 3.416 1.00 31.24 C ATOM 1888 O LEU A 139 0.917 -12.278 3.287 1.00 64.34 O ATOM 1889 CB LEU A 139 0.681 -10.171 1.146 1.00 61.24 C ATOM 1890 CG LEU A 139 1.155 -9.021 0.201 1.00 1.34 C ATOM 1891 CD1 LEU A 139 2.668 -8.875 0.163 1.00 21.42 C ATOM 1892 CD2 LEU A 139 0.606 -9.217 -1.196 1.00 31.55 C ATOM 0 H LEU A 139 2.861 -10.538 2.629 1.00 72.35 H new ATOM 0 HA LEU A 139 0.322 -9.089 2.950 1.00 43.22 H new ATOM 0 HB2 LEU A 139 1.203 -11.081 0.850 1.00 61.24 H new ATOM 0 HB3 LEU A 139 -0.380 -10.338 0.961 1.00 61.24 H new ATOM 0 HG LEU A 139 0.759 -8.094 0.614 1.00 1.34 H new ATOM 0 HD11 LEU A 139 2.938 -8.061 -0.510 1.00 21.42 H new ATOM 0 HD12 LEU A 139 3.038 -8.656 1.165 1.00 21.42 H new ATOM 0 HD13 LEU A 139 3.114 -9.803 -0.193 1.00 21.42 H new ATOM 0 HD21 LEU A 139 0.948 -8.405 -1.838 1.00 31.55 H new ATOM 0 HD22 LEU A 139 0.958 -10.168 -1.595 1.00 31.55 H new ATOM 0 HD23 LEU A 139 -0.483 -9.218 -1.162 1.00 31.55 H new ATOM 1904 N GLU A 140 -0.649 -10.984 4.189 1.00 73.13 N ATOM 1905 CA GLU A 140 -1.210 -12.019 4.995 1.00 22.03 C ATOM 1906 C GLU A 140 -2.688 -12.052 4.736 1.00 62.41 C ATOM 1907 O GLU A 140 -3.373 -11.037 4.833 1.00 54.14 O ATOM 1908 CB GLU A 140 -0.894 -11.752 6.475 1.00 60.22 C ATOM 1909 CG GLU A 140 0.609 -11.716 6.762 1.00 63.13 C ATOM 1910 CD GLU A 140 0.947 -11.431 8.206 1.00 55.44 C ATOM 1911 OE1 GLU A 140 0.850 -12.350 9.039 1.00 63.32 O ATOM 1912 OE2 GLU A 140 1.345 -10.275 8.531 1.00 43.11 O ATOM 0 H GLU A 140 -1.119 -10.083 4.281 1.00 73.13 H new ATOM 0 HA GLU A 140 -0.783 -12.990 4.745 1.00 22.03 H new ATOM 0 HB2 GLU A 140 -1.339 -10.802 6.771 1.00 60.22 H new ATOM 0 HB3 GLU A 140 -1.358 -12.526 7.086 1.00 60.22 H new ATOM 0 HG2 GLU A 140 1.047 -12.673 6.478 1.00 63.13 H new ATOM 0 HG3 GLU A 140 1.071 -10.955 6.133 1.00 63.13 H new ATOM 1919 N TYR A 141 -3.173 -13.197 4.408 1.00 21.13 N ATOM 1920 CA TYR A 141 -4.537 -13.344 3.980 1.00 73.24 C ATOM 1921 C TYR A 141 -5.110 -14.717 4.280 1.00 32.13 C ATOM 1922 O TYR A 141 -4.387 -15.647 4.622 1.00 64.51 O ATOM 1923 CB TYR A 141 -4.677 -12.936 2.491 1.00 23.11 C ATOM 1924 CG TYR A 141 -3.634 -13.534 1.558 1.00 55.40 C ATOM 1925 CD1 TYR A 141 -2.401 -12.905 1.370 1.00 31.22 C ATOM 1926 CD2 TYR A 141 -3.865 -14.705 0.879 1.00 72.53 C ATOM 1927 CE1 TYR A 141 -1.444 -13.440 0.545 1.00 52.24 C ATOM 1928 CE2 TYR A 141 -2.910 -15.239 0.045 1.00 53.45 C ATOM 1929 CZ TYR A 141 -1.704 -14.608 -0.116 1.00 70.13 C ATOM 1930 OH TYR A 141 -0.748 -15.160 -0.934 1.00 63.43 O ATOM 0 H TYR A 141 -2.641 -14.067 4.426 1.00 21.13 H new ATOM 0 HA TYR A 141 -5.147 -12.660 4.570 1.00 73.24 H new ATOM 0 HB2 TYR A 141 -5.667 -13.230 2.141 1.00 23.11 H new ATOM 0 HB3 TYR A 141 -4.624 -11.850 2.421 1.00 23.11 H new ATOM 0 HD1 TYR A 141 -2.197 -11.978 1.885 1.00 31.22 H new ATOM 0 HD2 TYR A 141 -4.810 -15.214 1.001 1.00 72.53 H new ATOM 0 HE1 TYR A 141 -0.494 -12.943 0.419 1.00 52.24 H new ATOM 0 HE2 TYR A 141 -3.111 -16.158 -0.485 1.00 53.45 H new ATOM 0 HH TYR A 141 -0.014 -15.513 -0.388 1.00 63.43 H new ATOM 1940 N GLU A 142 -6.402 -14.824 4.187 1.00 25.34 N ATOM 1941 CA GLU A 142 -7.111 -16.047 4.507 1.00 34.12 C ATOM 1942 C GLU A 142 -7.817 -16.562 3.240 1.00 25.44 C ATOM 1943 O GLU A 142 -8.637 -15.838 2.654 1.00 4.00 O ATOM 1944 CB GLU A 142 -8.157 -15.705 5.584 1.00 25.41 C ATOM 1945 CG GLU A 142 -8.916 -16.879 6.171 1.00 62.32 C ATOM 1946 CD GLU A 142 -8.051 -17.807 6.972 1.00 24.21 C ATOM 1947 OE1 GLU A 142 -7.807 -17.523 8.162 1.00 44.45 O ATOM 1948 OE2 GLU A 142 -7.629 -18.837 6.441 1.00 60.31 O ATOM 0 H GLU A 142 -7.008 -14.062 3.884 1.00 25.34 H new ATOM 0 HA GLU A 142 -6.429 -16.816 4.869 1.00 34.12 H new ATOM 0 HB2 GLU A 142 -7.654 -15.180 6.396 1.00 25.41 H new ATOM 0 HB3 GLU A 142 -8.878 -15.010 5.154 1.00 25.41 H new ATOM 0 HG2 GLU A 142 -9.718 -16.503 6.806 1.00 62.32 H new ATOM 0 HG3 GLU A 142 -9.386 -17.439 5.363 1.00 62.32 H new ATOM 1955 N LYS A 143 -7.494 -17.781 2.801 1.00 71.23 N ATOM 1956 CA LYS A 143 -8.148 -18.349 1.616 1.00 70.42 C ATOM 1957 C LYS A 143 -9.530 -18.854 1.940 1.00 22.14 C ATOM 1958 O LYS A 143 -9.748 -19.478 2.979 1.00 42.32 O ATOM 1959 CB LYS A 143 -7.372 -19.527 0.960 1.00 41.33 C ATOM 1960 CG LYS A 143 -6.148 -19.201 0.114 1.00 24.45 C ATOM 1961 CD LYS A 143 -5.027 -18.576 0.888 1.00 3.35 C ATOM 1962 CE LYS A 143 -3.811 -18.398 0.000 1.00 51.14 C ATOM 1963 NZ LYS A 143 -3.242 -19.678 -0.456 1.00 34.33 N ATOM 0 H LYS A 143 -6.797 -18.385 3.237 1.00 71.23 H new ATOM 0 HA LYS A 143 -8.180 -17.519 0.910 1.00 70.42 H new ATOM 0 HB2 LYS A 143 -7.056 -20.202 1.756 1.00 41.33 H new ATOM 0 HB3 LYS A 143 -8.072 -20.079 0.333 1.00 41.33 H new ATOM 0 HG2 LYS A 143 -5.787 -20.117 -0.355 1.00 24.45 H new ATOM 0 HG3 LYS A 143 -6.443 -18.526 -0.690 1.00 24.45 H new ATOM 0 HD2 LYS A 143 -5.342 -17.610 1.283 1.00 3.35 H new ATOM 0 HD3 LYS A 143 -4.773 -19.202 1.743 1.00 3.35 H new ATOM 0 HE2 LYS A 143 -4.086 -17.799 -0.868 1.00 51.14 H new ATOM 0 HE3 LYS A 143 -3.049 -17.840 0.544 1.00 51.14 H new ATOM 0 HZ1 LYS A 143 -2.221 -19.693 -0.261 1.00 34.33 H new ATOM 0 HZ2 LYS A 143 -3.702 -20.462 0.049 1.00 34.33 H new ATOM 0 HZ3 LYS A 143 -3.401 -19.784 -1.478 1.00 34.33 H new ATOM 1977 N ILE A 144 -10.460 -18.568 1.064 1.00 31.22 N ATOM 1978 CA ILE A 144 -11.780 -19.152 1.151 1.00 40.12 C ATOM 1979 C ILE A 144 -11.658 -20.585 0.619 1.00 32.50 C ATOM 1980 O ILE A 144 -12.269 -21.528 1.126 1.00 4.54 O ATOM 1981 CB ILE A 144 -12.781 -18.370 0.271 1.00 71.31 C ATOM 1982 CG1 ILE A 144 -12.797 -16.895 0.664 1.00 2.45 C ATOM 1983 CG2 ILE A 144 -14.177 -18.959 0.395 1.00 71.22 C ATOM 1984 CD1 ILE A 144 -13.712 -16.045 -0.187 1.00 61.45 C ATOM 0 H ILE A 144 -10.329 -17.931 0.278 1.00 31.22 H new ATOM 0 HA ILE A 144 -12.143 -19.126 2.179 1.00 40.12 H new ATOM 0 HB ILE A 144 -12.460 -18.453 -0.767 1.00 71.31 H new ATOM 0 HG12 ILE A 144 -13.104 -16.810 1.707 1.00 2.45 H new ATOM 0 HG13 ILE A 144 -11.783 -16.500 0.597 1.00 2.45 H new ATOM 0 HG21 ILE A 144 -14.867 -18.395 -0.232 1.00 71.22 H new ATOM 0 HG22 ILE A 144 -14.163 -20.000 0.073 1.00 71.22 H new ATOM 0 HG23 ILE A 144 -14.504 -18.905 1.434 1.00 71.22 H new ATOM 0 HD11 ILE A 144 -13.669 -15.010 0.154 1.00 61.45 H new ATOM 0 HD12 ILE A 144 -13.394 -16.098 -1.228 1.00 61.45 H new ATOM 0 HD13 ILE A 144 -14.734 -16.413 -0.101 1.00 61.45 H new ATOM 1996 N SER A 145 -10.825 -20.704 -0.397 1.00 64.52 N ATOM 1997 CA SER A 145 -10.491 -21.926 -1.062 1.00 40.03 C ATOM 1998 C SER A 145 -9.274 -21.583 -1.928 1.00 51.04 C ATOM 1999 O SER A 145 -8.900 -20.401 -1.996 1.00 1.44 O ATOM 2000 CB SER A 145 -11.683 -22.408 -1.928 1.00 72.34 C ATOM 2001 OG SER A 145 -11.423 -23.669 -2.523 1.00 34.03 O ATOM 0 H SER A 145 -10.342 -19.899 -0.795 1.00 64.52 H new ATOM 0 HA SER A 145 -10.271 -22.736 -0.366 1.00 40.03 H new ATOM 0 HB2 SER A 145 -12.578 -22.475 -1.310 1.00 72.34 H new ATOM 0 HB3 SER A 145 -11.888 -21.673 -2.707 1.00 72.34 H new ATOM 0 HG SER A 145 -12.196 -23.943 -3.060 1.00 34.03 H new ATOM 2007 N GLU A 146 -8.669 -22.551 -2.576 1.00 3.15 N ATOM 2008 CA GLU A 146 -7.479 -22.274 -3.382 1.00 21.52 C ATOM 2009 C GLU A 146 -7.879 -21.803 -4.748 1.00 41.30 C ATOM 2010 O GLU A 146 -7.415 -20.775 -5.236 1.00 73.44 O ATOM 2011 CB GLU A 146 -6.673 -23.513 -3.593 1.00 73.44 C ATOM 2012 CG GLU A 146 -6.193 -24.214 -2.346 1.00 25.41 C ATOM 2013 CD GLU A 146 -5.302 -25.376 -2.693 1.00 34.32 C ATOM 2014 OE1 GLU A 146 -4.088 -25.159 -2.891 1.00 1.55 O ATOM 2015 OE2 GLU A 146 -5.796 -26.516 -2.801 1.00 52.35 O ATOM 0 H GLU A 146 -8.967 -23.527 -2.569 1.00 3.15 H new ATOM 0 HA GLU A 146 -6.902 -21.521 -2.846 1.00 21.52 H new ATOM 0 HB2 GLU A 146 -7.271 -24.216 -4.173 1.00 73.44 H new ATOM 0 HB3 GLU A 146 -5.804 -23.258 -4.199 1.00 73.44 H new ATOM 0 HG2 GLU A 146 -5.651 -23.510 -1.714 1.00 25.41 H new ATOM 0 HG3 GLU A 146 -7.049 -24.566 -1.770 1.00 25.41 H new ATOM 2022 N GLU A 147 -8.769 -22.571 -5.342 1.00 44.53 N ATOM 2023 CA GLU A 147 -9.252 -22.388 -6.704 1.00 2.31 C ATOM 2024 C GLU A 147 -9.923 -21.040 -6.905 1.00 23.53 C ATOM 2025 O GLU A 147 -10.045 -20.554 -8.025 1.00 11.54 O ATOM 2026 CB GLU A 147 -10.190 -23.545 -7.058 1.00 71.31 C ATOM 2027 CG GLU A 147 -11.388 -23.672 -6.125 1.00 10.45 C ATOM 2028 CD GLU A 147 -12.140 -24.958 -6.321 1.00 30.42 C ATOM 2029 OE1 GLU A 147 -13.063 -25.001 -7.152 1.00 62.51 O ATOM 2030 OE2 GLU A 147 -11.812 -25.959 -5.632 1.00 51.21 O ATOM 0 H GLU A 147 -9.195 -23.372 -4.875 1.00 44.53 H new ATOM 0 HA GLU A 147 -8.397 -22.395 -7.380 1.00 2.31 H new ATOM 0 HB2 GLU A 147 -10.549 -23.411 -8.079 1.00 71.31 H new ATOM 0 HB3 GLU A 147 -9.626 -24.477 -7.039 1.00 71.31 H new ATOM 0 HG2 GLU A 147 -11.047 -23.609 -5.092 1.00 10.45 H new ATOM 0 HG3 GLU A 147 -12.063 -22.832 -6.290 1.00 10.45 H new ATOM 2037 N VAL A 148 -10.337 -20.440 -5.827 1.00 3.45 N ATOM 2038 CA VAL A 148 -11.015 -19.145 -5.913 1.00 41.40 C ATOM 2039 C VAL A 148 -9.986 -18.003 -5.867 1.00 45.42 C ATOM 2040 O VAL A 148 -10.203 -16.922 -6.420 1.00 61.24 O ATOM 2041 CB VAL A 148 -12.093 -18.949 -4.787 1.00 65.01 C ATOM 2042 CG1 VAL A 148 -11.472 -18.904 -3.406 1.00 21.01 C ATOM 2043 CG2 VAL A 148 -12.940 -17.705 -5.039 1.00 2.22 C ATOM 0 H VAL A 148 -10.227 -20.807 -4.882 1.00 3.45 H new ATOM 0 HA VAL A 148 -11.543 -19.125 -6.866 1.00 41.40 H new ATOM 0 HB VAL A 148 -12.747 -19.820 -4.823 1.00 65.01 H new ATOM 0 HG11 VAL A 148 -12.254 -18.767 -2.660 1.00 21.01 H new ATOM 0 HG12 VAL A 148 -10.946 -19.839 -3.213 1.00 21.01 H new ATOM 0 HG13 VAL A 148 -10.768 -18.073 -3.350 1.00 21.01 H new ATOM 0 HG21 VAL A 148 -13.676 -17.598 -4.242 1.00 2.22 H new ATOM 0 HG22 VAL A 148 -12.297 -16.825 -5.059 1.00 2.22 H new ATOM 0 HG23 VAL A 148 -13.453 -17.802 -5.996 1.00 2.22 H new ATOM 2053 N ALA A 149 -8.849 -18.279 -5.276 1.00 20.52 N ATOM 2054 CA ALA A 149 -7.845 -17.272 -5.050 1.00 35.22 C ATOM 2055 C ALA A 149 -6.760 -17.306 -6.120 1.00 63.33 C ATOM 2056 O ALA A 149 -6.624 -18.291 -6.866 1.00 32.14 O ATOM 2057 CB ALA A 149 -7.236 -17.461 -3.663 1.00 23.31 C ATOM 0 H ALA A 149 -8.595 -19.208 -4.939 1.00 20.52 H new ATOM 0 HA ALA A 149 -8.323 -16.294 -5.107 1.00 35.22 H new ATOM 0 HB1 ALA A 149 -6.476 -16.699 -3.492 1.00 23.31 H new ATOM 0 HB2 ALA A 149 -8.017 -17.371 -2.908 1.00 23.31 H new ATOM 0 HB3 ALA A 149 -6.780 -18.449 -3.597 1.00 23.31 H new ATOM 2063 N HIS A 150 -6.038 -16.215 -6.231 1.00 43.24 N ATOM 2064 CA HIS A 150 -4.887 -16.105 -7.119 1.00 3.41 C ATOM 2065 C HIS A 150 -3.763 -15.257 -6.509 1.00 4.32 C ATOM 2066 O HIS A 150 -3.650 -14.079 -6.775 1.00 21.30 O ATOM 2067 CB HIS A 150 -5.261 -15.663 -8.571 1.00 52.11 C ATOM 2068 CG HIS A 150 -6.147 -14.447 -8.704 1.00 63.53 C ATOM 2069 ND1 HIS A 150 -5.694 -13.165 -8.599 1.00 32.11 N ATOM 2070 CD2 HIS A 150 -7.465 -14.346 -8.985 1.00 70.32 C ATOM 2071 CE1 HIS A 150 -6.680 -12.331 -8.812 1.00 50.23 C ATOM 2072 NE2 HIS A 150 -7.768 -13.022 -9.048 1.00 33.11 N ATOM 0 H HIS A 150 -6.230 -15.364 -5.703 1.00 43.24 H new ATOM 0 HA HIS A 150 -4.493 -17.116 -7.222 1.00 3.41 H new ATOM 0 HB2 HIS A 150 -4.337 -15.472 -9.117 1.00 52.11 H new ATOM 0 HB3 HIS A 150 -5.756 -16.500 -9.064 1.00 52.11 H new ATOM 0 HD1 HIS A 150 -4.733 -12.897 -8.387 1.00 32.11 H new ATOM 0 HD2 HIS A 150 -8.152 -15.166 -9.132 1.00 70.32 H new ATOM 0 HE1 HIS A 150 -6.609 -11.253 -8.796 1.00 50.23 H new ATOM 2081 N PRO A 151 -2.925 -15.874 -5.629 1.00 11.14 N ATOM 2082 CA PRO A 151 -1.793 -15.179 -4.936 1.00 23.02 C ATOM 2083 C PRO A 151 -0.647 -14.789 -5.889 1.00 60.31 C ATOM 2084 O PRO A 151 0.336 -14.168 -5.492 1.00 2.02 O ATOM 2085 CB PRO A 151 -1.291 -16.230 -3.929 1.00 53.01 C ATOM 2086 CG PRO A 151 -2.374 -17.254 -3.847 1.00 61.31 C ATOM 2087 CD PRO A 151 -3.023 -17.282 -5.195 1.00 73.44 C ATOM 0 HA PRO A 151 -2.123 -14.242 -4.488 1.00 23.02 H new ATOM 0 HB2 PRO A 151 -0.354 -16.676 -4.262 1.00 53.01 H new ATOM 0 HB3 PRO A 151 -1.102 -15.780 -2.954 1.00 53.01 H new ATOM 0 HG2 PRO A 151 -1.967 -18.232 -3.590 1.00 61.31 H new ATOM 0 HG3 PRO A 151 -3.096 -16.996 -3.072 1.00 61.31 H new ATOM 0 HD2 PRO A 151 -2.506 -17.954 -5.880 1.00 73.44 H new ATOM 0 HD3 PRO A 151 -4.058 -17.618 -5.139 1.00 73.44 H new ATOM 2095 N GLU A 152 -0.787 -15.173 -7.122 1.00 73.32 N ATOM 2096 CA GLU A 152 0.180 -14.893 -8.166 1.00 75.01 C ATOM 2097 C GLU A 152 0.176 -13.410 -8.525 1.00 1.25 C ATOM 2098 O GLU A 152 1.219 -12.761 -8.618 1.00 33.21 O ATOM 2099 CB GLU A 152 -0.214 -15.717 -9.369 1.00 44.13 C ATOM 2100 CG GLU A 152 0.611 -15.514 -10.607 1.00 50.21 C ATOM 2101 CD GLU A 152 0.156 -16.420 -11.709 1.00 33.24 C ATOM 2102 OE1 GLU A 152 0.567 -17.606 -11.731 1.00 33.53 O ATOM 2103 OE2 GLU A 152 -0.643 -15.990 -12.554 1.00 34.05 O ATOM 0 H GLU A 152 -1.594 -15.704 -7.449 1.00 73.32 H new ATOM 0 HA GLU A 152 1.185 -15.145 -7.829 1.00 75.01 H new ATOM 0 HB2 GLU A 152 -0.166 -16.771 -9.094 1.00 44.13 H new ATOM 0 HB3 GLU A 152 -1.254 -15.497 -9.610 1.00 44.13 H new ATOM 0 HG2 GLU A 152 0.538 -14.476 -10.931 1.00 50.21 H new ATOM 0 HG3 GLU A 152 1.661 -15.705 -10.384 1.00 50.21 H new ATOM 2110 N THR A 153 -1.002 -12.896 -8.673 1.00 34.34 N ATOM 2111 CA THR A 153 -1.246 -11.549 -9.108 1.00 23.33 C ATOM 2112 C THR A 153 -0.747 -10.514 -8.090 1.00 65.50 C ATOM 2113 O THR A 153 -0.424 -9.380 -8.448 1.00 42.22 O ATOM 2114 CB THR A 153 -2.728 -11.380 -9.428 1.00 71.41 C ATOM 2115 OG1 THR A 153 -3.479 -11.667 -8.253 1.00 31.13 O ATOM 2116 CG2 THR A 153 -3.120 -12.399 -10.492 1.00 20.11 C ATOM 0 H THR A 153 -1.858 -13.420 -8.488 1.00 34.34 H new ATOM 0 HA THR A 153 -0.673 -11.365 -10.017 1.00 23.33 H new ATOM 0 HB THR A 153 -2.921 -10.366 -9.777 1.00 71.41 H new ATOM 0 HG1 THR A 153 -4.306 -11.141 -8.256 1.00 31.13 H new ATOM 0 HG21 THR A 153 -4.178 -12.288 -10.730 1.00 20.11 H new ATOM 0 HG22 THR A 153 -2.527 -12.233 -11.391 1.00 20.11 H new ATOM 0 HG23 THR A 153 -2.936 -13.406 -10.117 1.00 20.11 H new ATOM 2124 N LEU A 154 -0.719 -10.916 -6.826 1.00 44.33 N ATOM 2125 CA LEU A 154 -0.246 -10.078 -5.722 1.00 54.13 C ATOM 2126 C LEU A 154 1.151 -9.508 -6.005 1.00 11.13 C ATOM 2127 O LEU A 154 1.430 -8.352 -5.677 1.00 43.35 O ATOM 2128 CB LEU A 154 -0.209 -10.894 -4.442 1.00 21.32 C ATOM 2129 CG LEU A 154 -1.534 -11.499 -3.975 1.00 14.25 C ATOM 2130 CD1 LEU A 154 -1.312 -12.331 -2.743 1.00 15.32 C ATOM 2131 CD2 LEU A 154 -2.555 -10.419 -3.682 1.00 71.13 C ATOM 0 H LEU A 154 -1.027 -11.843 -6.531 1.00 44.33 H new ATOM 0 HA LEU A 154 -0.938 -9.243 -5.614 1.00 54.13 H new ATOM 0 HB2 LEU A 154 0.507 -11.705 -4.576 1.00 21.32 H new ATOM 0 HB3 LEU A 154 0.175 -10.258 -3.644 1.00 21.32 H new ATOM 0 HG LEU A 154 -1.919 -12.128 -4.777 1.00 14.25 H new ATOM 0 HD11 LEU A 154 -2.260 -12.758 -2.417 1.00 15.32 H new ATOM 0 HD12 LEU A 154 -0.610 -13.134 -2.968 1.00 15.32 H new ATOM 0 HD13 LEU A 154 -0.904 -11.705 -1.950 1.00 15.32 H new ATOM 0 HD21 LEU A 154 -3.487 -10.879 -3.352 1.00 71.13 H new ATOM 0 HD22 LEU A 154 -2.176 -9.763 -2.898 1.00 71.13 H new ATOM 0 HD23 LEU A 154 -2.738 -9.836 -4.585 1.00 71.13 H new ATOM 2143 N LEU A 155 2.023 -10.309 -6.639 1.00 1.34 N ATOM 2144 CA LEU A 155 3.366 -9.836 -6.988 1.00 14.31 C ATOM 2145 C LEU A 155 3.311 -8.707 -7.988 1.00 61.25 C ATOM 2146 O LEU A 155 4.105 -7.762 -7.916 1.00 70.54 O ATOM 2147 CB LEU A 155 4.285 -10.956 -7.475 1.00 10.12 C ATOM 2148 CG LEU A 155 4.718 -11.971 -6.416 1.00 71.35 C ATOM 2149 CD1 LEU A 155 5.632 -13.000 -7.017 1.00 52.14 C ATOM 2150 CD2 LEU A 155 5.425 -11.276 -5.266 1.00 15.00 C ATOM 0 H LEU A 155 1.824 -11.271 -6.915 1.00 1.34 H new ATOM 0 HA LEU A 155 3.802 -9.454 -6.065 1.00 14.31 H new ATOM 0 HB2 LEU A 155 3.779 -11.491 -8.279 1.00 10.12 H new ATOM 0 HB3 LEU A 155 5.179 -10.505 -7.906 1.00 10.12 H new ATOM 0 HG LEU A 155 3.823 -12.464 -6.037 1.00 71.35 H new ATOM 0 HD11 LEU A 155 5.930 -13.714 -6.250 1.00 52.14 H new ATOM 0 HD12 LEU A 155 5.112 -13.525 -7.819 1.00 52.14 H new ATOM 0 HD13 LEU A 155 6.518 -12.509 -7.420 1.00 52.14 H new ATOM 0 HD21 LEU A 155 5.725 -12.015 -4.523 1.00 15.00 H new ATOM 0 HD22 LEU A 155 6.308 -10.759 -5.641 1.00 15.00 H new ATOM 0 HD23 LEU A 155 4.750 -10.554 -4.807 1.00 15.00 H new ATOM 2162 N GLN A 156 2.353 -8.777 -8.882 1.00 44.50 N ATOM 2163 CA GLN A 156 2.155 -7.742 -9.872 1.00 54.21 C ATOM 2164 C GLN A 156 1.669 -6.468 -9.196 1.00 34.14 C ATOM 2165 O GLN A 156 2.079 -5.374 -9.555 1.00 11.12 O ATOM 2166 CB GLN A 156 1.161 -8.195 -10.944 1.00 74.42 C ATOM 2167 CG GLN A 156 1.622 -9.405 -11.741 1.00 70.14 C ATOM 2168 CD GLN A 156 2.892 -9.133 -12.520 1.00 73.25 C ATOM 2169 OE1 GLN A 156 3.998 -9.341 -12.028 1.00 74.24 O ATOM 2170 NE2 GLN A 156 2.743 -8.665 -13.728 1.00 4.20 N ATOM 0 H GLN A 156 1.690 -9.550 -8.945 1.00 44.50 H new ATOM 0 HA GLN A 156 3.108 -7.542 -10.363 1.00 54.21 H new ATOM 0 HB2 GLN A 156 0.209 -8.428 -10.467 1.00 74.42 H new ATOM 0 HB3 GLN A 156 0.980 -7.368 -11.630 1.00 74.42 H new ATOM 0 HG2 GLN A 156 1.787 -10.242 -11.063 1.00 70.14 H new ATOM 0 HG3 GLN A 156 0.833 -9.705 -12.431 1.00 70.14 H new ATOM 0 HE21 GLN A 156 1.807 -8.506 -14.101 1.00 4.20 H new ATOM 0 HE22 GLN A 156 3.562 -8.458 -14.300 1.00 4.20 H new ATOM 2179 N PHE A 157 0.817 -6.626 -8.192 1.00 35.34 N ATOM 2180 CA PHE A 157 0.293 -5.492 -7.445 1.00 33.40 C ATOM 2181 C PHE A 157 1.402 -4.824 -6.642 1.00 12.14 C ATOM 2182 O PHE A 157 1.549 -3.607 -6.672 1.00 10.44 O ATOM 2183 CB PHE A 157 -0.878 -5.926 -6.520 1.00 52.10 C ATOM 2184 CG PHE A 157 -1.506 -4.797 -5.704 1.00 24.43 C ATOM 2185 CD1 PHE A 157 -2.191 -3.769 -6.334 1.00 64.21 C ATOM 2186 CD2 PHE A 157 -1.410 -4.770 -4.305 1.00 43.30 C ATOM 2187 CE1 PHE A 157 -2.767 -2.740 -5.608 1.00 72.33 C ATOM 2188 CE2 PHE A 157 -1.992 -3.730 -3.567 1.00 54.41 C ATOM 2189 CZ PHE A 157 -2.668 -2.721 -4.227 1.00 20.02 C ATOM 0 H PHE A 157 0.473 -7.533 -7.876 1.00 35.34 H new ATOM 0 HA PHE A 157 -0.099 -4.766 -8.158 1.00 33.40 H new ATOM 0 HB2 PHE A 157 -1.653 -6.387 -7.132 1.00 52.10 H new ATOM 0 HB3 PHE A 157 -0.515 -6.692 -5.834 1.00 52.10 H new ATOM 0 HD1 PHE A 157 -2.277 -3.771 -7.411 1.00 64.21 H new ATOM 0 HD2 PHE A 157 -0.882 -5.559 -3.791 1.00 43.30 H new ATOM 0 HE1 PHE A 157 -3.295 -1.950 -6.121 1.00 72.33 H new ATOM 0 HE2 PHE A 157 -1.913 -3.717 -2.490 1.00 54.41 H new ATOM 0 HZ PHE A 157 -3.119 -1.917 -3.665 1.00 20.02 H new ATOM 2199 N CYS A 158 2.204 -5.621 -5.960 1.00 41.15 N ATOM 2200 CA CYS A 158 3.252 -5.067 -5.131 1.00 51.02 C ATOM 2201 C CYS A 158 4.346 -4.379 -5.955 1.00 11.11 C ATOM 2202 O CYS A 158 4.844 -3.334 -5.560 1.00 21.32 O ATOM 2203 CB CYS A 158 3.848 -6.115 -4.166 1.00 1.12 C ATOM 2204 SG CYS A 158 4.634 -7.540 -4.949 1.00 41.41 S ATOM 0 H CYS A 158 2.150 -6.640 -5.964 1.00 41.15 H new ATOM 0 HA CYS A 158 2.780 -4.297 -4.520 1.00 51.02 H new ATOM 0 HB2 CYS A 158 4.583 -5.621 -3.531 1.00 1.12 H new ATOM 0 HB3 CYS A 158 3.053 -6.475 -3.513 1.00 1.12 H new ATOM 0 HG CYS A 158 4.510 -7.449 -6.240 1.00 41.41 H new ATOM 2210 N VAL A 159 4.684 -4.933 -7.122 1.00 51.31 N ATOM 2211 CA VAL A 159 5.779 -4.384 -7.923 1.00 32.22 C ATOM 2212 C VAL A 159 5.448 -2.987 -8.468 1.00 63.12 C ATOM 2213 O VAL A 159 6.277 -2.074 -8.412 1.00 53.35 O ATOM 2214 CB VAL A 159 6.224 -5.342 -9.079 1.00 61.03 C ATOM 2215 CG1 VAL A 159 5.168 -5.507 -10.161 1.00 51.21 C ATOM 2216 CG2 VAL A 159 7.568 -4.938 -9.658 1.00 64.23 C ATOM 0 H VAL A 159 4.224 -5.748 -7.528 1.00 51.31 H new ATOM 0 HA VAL A 159 6.625 -4.288 -7.243 1.00 32.22 H new ATOM 0 HB VAL A 159 6.343 -6.326 -8.626 1.00 61.03 H new ATOM 0 HG11 VAL A 159 5.539 -6.183 -10.932 1.00 51.21 H new ATOM 0 HG12 VAL A 159 4.260 -5.920 -9.723 1.00 51.21 H new ATOM 0 HG13 VAL A 159 4.947 -4.536 -10.605 1.00 51.21 H new ATOM 0 HG21 VAL A 159 7.842 -5.627 -10.457 1.00 64.23 H new ATOM 0 HG22 VAL A 159 7.503 -3.926 -10.058 1.00 64.23 H new ATOM 0 HG23 VAL A 159 8.326 -4.971 -8.875 1.00 64.23 H new ATOM 2226 N GLU A 160 4.233 -2.819 -8.951 1.00 4.13 N ATOM 2227 CA GLU A 160 3.809 -1.534 -9.495 1.00 61.24 C ATOM 2228 C GLU A 160 3.688 -0.477 -8.400 1.00 33.51 C ATOM 2229 O GLU A 160 4.059 0.681 -8.600 1.00 40.35 O ATOM 2230 CB GLU A 160 2.529 -1.660 -10.341 1.00 44.01 C ATOM 2231 CG GLU A 160 1.343 -2.284 -9.630 1.00 30.11 C ATOM 2232 CD GLU A 160 0.147 -2.430 -10.536 1.00 13.14 C ATOM 2233 OE1 GLU A 160 0.161 -3.315 -11.416 1.00 14.42 O ATOM 2234 OE2 GLU A 160 -0.804 -1.663 -10.402 1.00 25.32 O ATOM 0 H GLU A 160 3.521 -3.549 -8.980 1.00 4.13 H new ATOM 0 HA GLU A 160 4.589 -1.193 -10.176 1.00 61.24 H new ATOM 0 HB2 GLU A 160 2.243 -0.667 -10.688 1.00 44.01 H new ATOM 0 HB3 GLU A 160 2.755 -2.254 -11.226 1.00 44.01 H new ATOM 0 HG2 GLU A 160 1.627 -3.264 -9.245 1.00 30.11 H new ATOM 0 HG3 GLU A 160 1.073 -1.670 -8.771 1.00 30.11 H new ATOM 2241 N VAL A 161 3.206 -0.888 -7.236 1.00 62.01 N ATOM 2242 CA VAL A 161 3.103 0.017 -6.105 1.00 62.33 C ATOM 2243 C VAL A 161 4.504 0.374 -5.582 1.00 0.03 C ATOM 2244 O VAL A 161 4.739 1.494 -5.145 1.00 51.15 O ATOM 2245 CB VAL A 161 2.203 -0.554 -4.970 1.00 24.22 C ATOM 2246 CG1 VAL A 161 2.144 0.401 -3.775 1.00 41.21 C ATOM 2247 CG2 VAL A 161 0.796 -0.807 -5.492 1.00 34.11 C ATOM 0 H VAL A 161 2.882 -1.838 -7.052 1.00 62.01 H new ATOM 0 HA VAL A 161 2.617 0.928 -6.454 1.00 62.33 H new ATOM 0 HB VAL A 161 2.642 -1.495 -4.638 1.00 24.22 H new ATOM 0 HG11 VAL A 161 1.508 -0.026 -2.999 1.00 41.21 H new ATOM 0 HG12 VAL A 161 3.148 0.551 -3.379 1.00 41.21 H new ATOM 0 HG13 VAL A 161 1.733 1.359 -4.095 1.00 41.21 H new ATOM 0 HG21 VAL A 161 0.176 -1.206 -4.689 1.00 34.11 H new ATOM 0 HG22 VAL A 161 0.367 0.129 -5.850 1.00 34.11 H new ATOM 0 HG23 VAL A 161 0.835 -1.525 -6.311 1.00 34.11 H new ATOM 2257 N SER A 162 5.432 -0.580 -5.652 1.00 33.55 N ATOM 2258 CA SER A 162 6.807 -0.337 -5.236 1.00 35.24 C ATOM 2259 C SER A 162 7.465 0.755 -6.075 1.00 60.13 C ATOM 2260 O SER A 162 8.040 1.684 -5.533 1.00 43.12 O ATOM 2261 CB SER A 162 7.620 -1.607 -5.306 1.00 35.40 C ATOM 2262 OG SER A 162 7.102 -2.587 -4.422 1.00 50.41 O ATOM 0 H SER A 162 5.254 -1.525 -5.992 1.00 33.55 H new ATOM 0 HA SER A 162 6.777 0.006 -4.202 1.00 35.24 H new ATOM 0 HB2 SER A 162 7.614 -1.992 -6.326 1.00 35.40 H new ATOM 0 HB3 SER A 162 8.658 -1.394 -5.051 1.00 35.40 H new ATOM 0 HG SER A 162 6.330 -3.026 -4.836 1.00 50.41 H new ATOM 2268 N LYS A 163 7.338 0.655 -7.401 1.00 72.01 N ATOM 2269 CA LYS A 163 7.928 1.652 -8.310 1.00 10.51 C ATOM 2270 C LYS A 163 7.347 3.030 -8.026 1.00 65.40 C ATOM 2271 O LYS A 163 8.043 4.053 -8.104 1.00 35.35 O ATOM 2272 CB LYS A 163 7.667 1.277 -9.767 1.00 61.14 C ATOM 2273 CG LYS A 163 8.220 -0.075 -10.168 1.00 60.32 C ATOM 2274 CD LYS A 163 7.930 -0.380 -11.623 1.00 32.40 C ATOM 2275 CE LYS A 163 8.425 -1.763 -12.014 1.00 22.34 C ATOM 2276 NZ LYS A 163 9.885 -1.920 -11.821 1.00 33.32 N ATOM 0 H LYS A 163 6.836 -0.099 -7.870 1.00 72.01 H new ATOM 0 HA LYS A 163 9.005 1.672 -8.140 1.00 10.51 H new ATOM 0 HB2 LYS A 163 6.592 1.285 -9.946 1.00 61.14 H new ATOM 0 HB3 LYS A 163 8.103 2.041 -10.411 1.00 61.14 H new ATOM 0 HG2 LYS A 163 9.296 -0.095 -9.998 1.00 60.32 H new ATOM 0 HG3 LYS A 163 7.783 -0.850 -9.538 1.00 60.32 H new ATOM 0 HD2 LYS A 163 6.857 -0.313 -11.803 1.00 32.40 H new ATOM 0 HD3 LYS A 163 8.407 0.370 -12.255 1.00 32.40 H new ATOM 0 HE2 LYS A 163 7.901 -2.513 -11.422 1.00 22.34 H new ATOM 0 HE3 LYS A 163 8.178 -1.952 -13.059 1.00 22.34 H new ATOM 0 HZ1 LYS A 163 10.199 -2.811 -12.256 1.00 33.32 H new ATOM 0 HZ2 LYS A 163 10.382 -1.123 -12.267 1.00 33.32 H new ATOM 0 HZ3 LYS A 163 10.101 -1.937 -10.804 1.00 33.32 H new ATOM 2290 N GLU A 164 6.076 3.033 -7.683 1.00 14.30 N ATOM 2291 CA GLU A 164 5.354 4.231 -7.356 1.00 21.44 C ATOM 2292 C GLU A 164 5.886 4.804 -6.042 1.00 12.30 C ATOM 2293 O GLU A 164 6.078 6.017 -5.907 1.00 52.22 O ATOM 2294 CB GLU A 164 3.880 3.883 -7.172 1.00 12.21 C ATOM 2295 CG GLU A 164 2.967 5.084 -7.014 1.00 23.42 C ATOM 2296 CD GLU A 164 2.861 5.890 -8.281 1.00 73.53 C ATOM 2297 OE1 GLU A 164 3.726 6.736 -8.547 1.00 40.15 O ATOM 2298 OE2 GLU A 164 1.890 5.685 -9.033 1.00 23.22 O ATOM 0 H GLU A 164 5.512 2.185 -7.624 1.00 14.30 H new ATOM 0 HA GLU A 164 5.477 4.962 -8.156 1.00 21.44 H new ATOM 0 HB2 GLU A 164 3.547 3.300 -8.030 1.00 12.21 H new ATOM 0 HB3 GLU A 164 3.777 3.246 -6.294 1.00 12.21 H new ATOM 0 HG2 GLU A 164 1.974 4.747 -6.716 1.00 23.42 H new ATOM 0 HG3 GLU A 164 3.342 5.720 -6.212 1.00 23.42 H new ATOM 2305 N ILE A 165 6.130 3.919 -5.083 1.00 71.23 N ATOM 2306 CA ILE A 165 6.556 4.303 -3.761 1.00 1.42 C ATOM 2307 C ILE A 165 7.988 4.896 -3.817 1.00 70.23 C ATOM 2308 O ILE A 165 8.294 5.837 -3.072 1.00 52.23 O ATOM 2309 CB ILE A 165 6.385 3.113 -2.712 1.00 14.24 C ATOM 2310 CG1 ILE A 165 5.944 3.621 -1.311 1.00 20.02 C ATOM 2311 CG2 ILE A 165 7.643 2.267 -2.574 1.00 45.51 C ATOM 2312 CD1 ILE A 165 6.919 4.533 -0.604 1.00 75.02 C ATOM 0 H ILE A 165 6.035 2.912 -5.211 1.00 71.23 H new ATOM 0 HA ILE A 165 5.903 5.093 -3.390 1.00 1.42 H new ATOM 0 HB ILE A 165 5.594 2.484 -3.119 1.00 14.24 H new ATOM 0 HG12 ILE A 165 4.996 4.148 -1.419 1.00 20.02 H new ATOM 0 HG13 ILE A 165 5.758 2.756 -0.674 1.00 20.02 H new ATOM 0 HG21 ILE A 165 7.470 1.473 -1.848 1.00 45.51 H new ATOM 0 HG22 ILE A 165 7.894 1.827 -3.539 1.00 45.51 H new ATOM 0 HG23 ILE A 165 8.468 2.894 -2.236 1.00 45.51 H new ATOM 0 HD11 ILE A 165 6.508 4.825 0.363 1.00 75.02 H new ATOM 0 HD12 ILE A 165 7.863 4.010 -0.454 1.00 75.02 H new ATOM 0 HD13 ILE A 165 7.090 5.423 -1.210 1.00 75.02 H new ATOM 2324 N ASP A 166 8.854 4.364 -4.729 1.00 14.32 N ATOM 2325 CA ASP A 166 10.219 4.938 -4.937 1.00 3.21 C ATOM 2326 C ASP A 166 10.098 6.417 -5.191 1.00 40.13 C ATOM 2327 O ASP A 166 10.701 7.246 -4.508 1.00 45.41 O ATOM 2328 CB ASP A 166 10.911 4.381 -6.205 1.00 12.13 C ATOM 2329 CG ASP A 166 11.312 2.946 -6.196 1.00 74.43 C ATOM 2330 OD1 ASP A 166 12.437 2.655 -5.789 1.00 70.33 O ATOM 2331 OD2 ASP A 166 10.555 2.105 -6.679 1.00 32.24 O ATOM 0 H ASP A 166 8.639 3.559 -5.318 1.00 14.32 H new ATOM 0 HA ASP A 166 10.793 4.687 -4.045 1.00 3.21 H new ATOM 0 HB2 ASP A 166 10.241 4.538 -7.050 1.00 12.13 H new ATOM 0 HB3 ASP A 166 11.804 4.978 -6.391 1.00 12.13 H new ATOM 2336 N GLU A 167 9.264 6.727 -6.149 1.00 31.33 N ATOM 2337 CA GLU A 167 9.041 8.072 -6.618 1.00 2.33 C ATOM 2338 C GLU A 167 8.259 8.879 -5.625 1.00 24.22 C ATOM 2339 O GLU A 167 8.427 10.073 -5.541 1.00 65.34 O ATOM 2340 CB GLU A 167 8.360 8.033 -7.964 1.00 11.01 C ATOM 2341 CG GLU A 167 9.164 7.288 -9.011 1.00 72.10 C ATOM 2342 CD GLU A 167 8.503 7.272 -10.357 1.00 31.04 C ATOM 2343 OE1 GLU A 167 8.686 8.230 -11.116 1.00 40.03 O ATOM 2344 OE2 GLU A 167 7.827 6.289 -10.690 1.00 45.11 O ATOM 0 H GLU A 167 8.704 6.030 -6.640 1.00 31.33 H new ATOM 0 HA GLU A 167 10.005 8.568 -6.731 1.00 2.33 H new ATOM 0 HB2 GLU A 167 7.384 7.560 -7.858 1.00 11.01 H new ATOM 0 HB3 GLU A 167 8.184 9.053 -8.306 1.00 11.01 H new ATOM 0 HG2 GLU A 167 10.148 7.749 -9.101 1.00 72.10 H new ATOM 0 HG3 GLU A 167 9.322 6.262 -8.678 1.00 72.10 H new ATOM 2351 N HIS A 168 7.404 8.218 -4.882 1.00 44.44 N ATOM 2352 CA HIS A 168 6.620 8.865 -3.846 1.00 22.53 C ATOM 2353 C HIS A 168 7.557 9.452 -2.795 1.00 25.00 C ATOM 2354 O HIS A 168 7.335 10.548 -2.295 1.00 30.22 O ATOM 2355 CB HIS A 168 5.644 7.851 -3.214 1.00 62.40 C ATOM 2356 CG HIS A 168 4.714 8.404 -2.163 1.00 24.20 C ATOM 2357 ND1 HIS A 168 3.453 8.878 -2.449 1.00 52.43 N ATOM 2358 CD2 HIS A 168 4.854 8.512 -0.821 1.00 54.12 C ATOM 2359 CE1 HIS A 168 2.861 9.248 -1.335 1.00 52.51 C ATOM 2360 NE2 HIS A 168 3.685 9.034 -0.334 1.00 44.25 N ATOM 0 H HIS A 168 7.229 7.217 -4.975 1.00 44.44 H new ATOM 0 HA HIS A 168 6.032 9.674 -4.280 1.00 22.53 H new ATOM 0 HB2 HIS A 168 5.043 7.410 -4.009 1.00 62.40 H new ATOM 0 HB3 HIS A 168 6.226 7.044 -2.769 1.00 62.40 H new ATOM 0 HD2 HIS A 168 5.724 8.238 -0.243 1.00 54.12 H new ATOM 0 HE1 HIS A 168 1.865 9.659 -1.256 1.00 52.51 H new ATOM 0 HE2 HIS A 168 3.486 9.226 0.648 1.00 44.25 H new ATOM 2369 N LEU A 169 8.589 8.700 -2.456 1.00 31.30 N ATOM 2370 CA LEU A 169 9.565 9.165 -1.503 1.00 23.51 C ATOM 2371 C LEU A 169 10.553 10.139 -2.106 1.00 75.32 C ATOM 2372 O LEU A 169 10.871 11.154 -1.489 1.00 4.51 O ATOM 2373 CB LEU A 169 10.276 8.024 -0.807 1.00 52.04 C ATOM 2374 CG LEU A 169 9.388 7.084 -0.009 1.00 45.44 C ATOM 2375 CD1 LEU A 169 10.223 6.046 0.715 1.00 74.41 C ATOM 2376 CD2 LEU A 169 8.513 7.864 0.960 1.00 42.14 C ATOM 0 H LEU A 169 8.767 7.768 -2.829 1.00 31.30 H new ATOM 0 HA LEU A 169 9.003 9.711 -0.745 1.00 23.51 H new ATOM 0 HB2 LEU A 169 10.810 7.441 -1.558 1.00 52.04 H new ATOM 0 HB3 LEU A 169 11.026 8.443 -0.136 1.00 52.04 H new ATOM 0 HG LEU A 169 8.730 6.559 -0.702 1.00 45.44 H new ATOM 0 HD11 LEU A 169 9.569 5.383 1.281 1.00 74.41 H new ATOM 0 HD12 LEU A 169 10.790 5.464 -0.012 1.00 74.41 H new ATOM 0 HD13 LEU A 169 10.912 6.544 1.397 1.00 74.41 H new ATOM 0 HD21 LEU A 169 7.885 7.172 1.521 1.00 42.14 H new ATOM 0 HD22 LEU A 169 9.144 8.423 1.651 1.00 42.14 H new ATOM 0 HD23 LEU A 169 7.882 8.557 0.403 1.00 42.14 H new ATOM 2388 N LEU A 170 11.060 9.833 -3.308 1.00 32.52 N ATOM 2389 CA LEU A 170 12.045 10.718 -3.932 1.00 52.34 C ATOM 2390 C LEU A 170 11.413 12.051 -4.258 1.00 13.32 C ATOM 2391 O LEU A 170 11.975 13.094 -3.917 1.00 15.32 O ATOM 2392 CB LEU A 170 12.599 10.089 -5.213 1.00 11.25 C ATOM 2393 CG LEU A 170 13.342 8.763 -5.056 1.00 61.15 C ATOM 2394 CD1 LEU A 170 13.754 8.230 -6.414 1.00 51.52 C ATOM 2395 CD2 LEU A 170 14.563 8.934 -4.171 1.00 54.24 C ATOM 0 H LEU A 170 10.813 9.006 -3.851 1.00 32.52 H new ATOM 0 HA LEU A 170 12.864 10.868 -3.229 1.00 52.34 H new ATOM 0 HB2 LEU A 170 11.770 9.936 -5.904 1.00 11.25 H new ATOM 0 HB3 LEU A 170 13.275 10.805 -5.680 1.00 11.25 H new ATOM 0 HG LEU A 170 12.670 8.047 -4.583 1.00 61.15 H new ATOM 0 HD11 LEU A 170 14.283 7.285 -6.289 1.00 51.52 H new ATOM 0 HD12 LEU A 170 12.867 8.071 -7.027 1.00 51.52 H new ATOM 0 HD13 LEU A 170 14.409 8.950 -6.904 1.00 51.52 H new ATOM 0 HD21 LEU A 170 15.078 7.978 -4.072 1.00 54.24 H new ATOM 0 HD22 LEU A 170 15.237 9.665 -4.618 1.00 54.24 H new ATOM 0 HD23 LEU A 170 14.252 9.282 -3.186 1.00 54.24 H new