USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 857 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 70 GLN :FLIP amide:sc= 0.226 F(o=-0.57,f=1.6) USER MOD Set 1.2: A 74 ASN : amide:sc= 1.4 K(o=1.6,f=-0.57) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 123:sc= -1.08! USER MOD Single : A 15 LYS NZ :NH3+ 170:sc= 0.823 (180deg=0.747) USER MOD Single : A 18 MET CE :methyl -161:sc= -1.38 (180deg=-2.11) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0.268 K(o=0.27,f=-2.5!) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 71:sc= 1.11 USER MOD Single : A 46 GLN : amide:sc= -0.131 K(o=-0.13,f=-0.85) USER MOD Single : A 47 CYS SG : rot 88:sc=2.27e-05 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HE2:sc= -0.121 X(o=-0.12,f=-0.19) USER MOD Single : A 56 THR OG1 : rot 87:sc= 1.27 USER MOD Single : A 58 CYS SG : rot 170:sc= -0.266 USER MOD Single : A 60 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0114) USER MOD Single : A 62 TYR OH : rot -98:sc= 0.0841 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0623 USER MOD Single : A 64 ASN : amide:sc= -0.0793 X(o=-0.079,f=-0.0062) USER MOD Single : A 67 GLN : amide:sc= 0.939 K(o=0.94,f=0) USER MOD Single : A 69 LYS NZ :NH3+ -167:sc= 1.22 (180deg=1.03) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= -0.143 USER MOD Single : A 81 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0109) USER MOD Single : A 83 THR OG1 : rot 71:sc= 0.716 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 HIS :FLIP no HD1:sc= -0.0667 F(o=-0.62,f=-0.067) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000213) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N LEU A 6 -13.635 -8.169 -3.208 1.00 13.12 N ATOM 60 CA LEU A 6 -13.204 -8.705 -1.925 1.00 4.11 C ATOM 61 C LEU A 6 -14.394 -9.498 -1.378 1.00 45.43 C ATOM 62 O LEU A 6 -15.497 -8.963 -1.284 1.00 60.30 O ATOM 63 CB LEU A 6 -12.767 -7.561 -0.981 1.00 72.24 C ATOM 64 CG LEU A 6 -11.541 -6.762 -1.488 1.00 35.44 C ATOM 65 CD1 LEU A 6 -11.264 -5.527 -0.625 1.00 4.41 C ATOM 66 CD2 LEU A 6 -10.250 -7.594 -1.511 1.00 61.12 C ATOM 0 HA LEU A 6 -12.334 -9.354 -2.020 1.00 4.11 H new ATOM 0 HB2 LEU A 6 -13.604 -6.876 -0.845 1.00 72.24 H new ATOM 0 HB3 LEU A 6 -12.536 -7.980 -0.002 1.00 72.24 H new ATOM 0 HG LEU A 6 -11.807 -6.470 -2.504 1.00 35.44 H new ATOM 0 HD11 LEU A 6 -10.396 -4.997 -1.017 1.00 4.41 H new ATOM 0 HD12 LEU A 6 -12.132 -4.867 -0.645 1.00 4.41 H new ATOM 0 HD13 LEU A 6 -11.067 -5.837 0.401 1.00 4.41 H new ATOM 0 HD21 LEU A 6 -9.427 -6.979 -1.875 1.00 61.12 H new ATOM 0 HD22 LEU A 6 -10.024 -7.943 -0.503 1.00 61.12 H new ATOM 0 HD23 LEU A 6 -10.382 -8.452 -2.171 1.00 61.12 H new ATOM 78 N ASP A 7 -14.202 -10.784 -1.078 1.00 75.13 N ATOM 79 CA ASP A 7 -15.206 -11.594 -0.381 1.00 1.34 C ATOM 80 C ASP A 7 -15.390 -11.083 1.040 1.00 50.11 C ATOM 81 O ASP A 7 -14.481 -10.427 1.540 1.00 25.20 O ATOM 82 CB ASP A 7 -14.753 -13.055 -0.326 1.00 22.15 C ATOM 83 CG ASP A 7 -15.913 -13.940 0.108 1.00 51.25 C ATOM 84 OD1 ASP A 7 -16.780 -14.235 -0.754 1.00 3.35 O1- ATOM 85 OD2 ASP A 7 -15.980 -14.261 1.313 1.00 12.54 O ATOM 0 H ASP A 7 -13.349 -11.293 -1.310 1.00 75.13 H new ATOM 0 HA ASP A 7 -16.149 -11.521 -0.923 1.00 1.34 H new ATOM 0 HB2 ASP A 7 -14.390 -13.370 -1.305 1.00 22.15 H new ATOM 0 HB3 ASP A 7 -13.922 -13.161 0.371 1.00 22.15 H new ATOM 90 N GLN A 8 -16.481 -11.441 1.729 1.00 35.03 N ATOM 91 CA GLN A 8 -16.682 -11.110 3.141 1.00 31.00 C ATOM 92 C GLN A 8 -15.422 -11.414 3.960 1.00 15.44 C ATOM 93 O GLN A 8 -14.918 -10.551 4.680 1.00 42.40 O ATOM 94 CB GLN A 8 -17.858 -11.906 3.726 1.00 11.40 C ATOM 95 CG GLN A 8 -19.245 -11.494 3.209 1.00 73.15 C ATOM 96 CD GLN A 8 -20.285 -11.576 4.327 1.00 5.35 C ATOM 97 OE1 GLN A 8 -20.769 -10.555 4.811 1.00 73.41 O ATOM 98 NE2 GLN A 8 -20.586 -12.754 4.839 1.00 23.44 N ATOM 0 H GLN A 8 -17.251 -11.970 1.319 1.00 35.03 H new ATOM 0 HA GLN A 8 -16.901 -10.044 3.197 1.00 31.00 H new ATOM 0 HB2 GLN A 8 -17.705 -12.963 3.508 1.00 11.40 H new ATOM 0 HB3 GLN A 8 -17.845 -11.799 4.811 1.00 11.40 H new ATOM 0 HG2 GLN A 8 -19.205 -10.478 2.816 1.00 73.15 H new ATOM 0 HG3 GLN A 8 -19.539 -12.143 2.384 1.00 73.15 H new ATOM 0 HE21 GLN A 8 -20.185 -13.602 4.438 1.00 23.44 H new ATOM 0 HE22 GLN A 8 -21.220 -12.817 5.636 1.00 23.44 H new ATOM 107 N LYS A 9 -14.885 -12.629 3.829 1.00 54.03 N ATOM 108 CA LYS A 9 -13.697 -13.048 4.567 1.00 31.31 C ATOM 109 C LYS A 9 -12.480 -12.215 4.192 1.00 71.23 C ATOM 110 O LYS A 9 -11.729 -11.793 5.077 1.00 2.24 O ATOM 111 CB LYS A 9 -13.426 -14.527 4.293 1.00 54.31 C ATOM 112 CG LYS A 9 -14.343 -15.409 5.136 1.00 72.00 C ATOM 113 CD LYS A 9 -14.056 -16.874 4.814 1.00 23.34 C ATOM 114 CE LYS A 9 -14.948 -17.764 5.678 1.00 1.24 C ATOM 115 NZ LYS A 9 -14.317 -19.075 5.921 1.00 21.22 N1+ ATOM 0 H LYS A 9 -15.262 -13.346 3.210 1.00 54.03 H new ATOM 0 HA LYS A 9 -13.884 -12.896 5.630 1.00 31.31 H new ATOM 0 HB2 LYS A 9 -13.580 -14.740 3.235 1.00 54.31 H new ATOM 0 HB3 LYS A 9 -12.385 -14.758 4.516 1.00 54.31 H new ATOM 0 HG2 LYS A 9 -14.179 -15.217 6.196 1.00 72.00 H new ATOM 0 HG3 LYS A 9 -15.387 -15.175 4.927 1.00 72.00 H new ATOM 0 HD2 LYS A 9 -14.241 -17.069 3.758 1.00 23.34 H new ATOM 0 HD3 LYS A 9 -13.006 -17.101 5.001 1.00 23.34 H new ATOM 0 HE2 LYS A 9 -15.146 -17.271 6.630 1.00 1.24 H new ATOM 0 HE3 LYS A 9 -15.910 -17.906 5.186 1.00 1.24 H new ATOM 0 HZ1 LYS A 9 -14.945 -19.659 6.510 1.00 21.22 H new ATOM 0 HZ2 LYS A 9 -14.151 -19.554 5.013 1.00 21.22 H new ATOM 0 HZ3 LYS A 9 -13.410 -18.938 6.412 1.00 21.22 H new ATOM 129 N THR A 10 -12.276 -11.990 2.900 1.00 74.25 N ATOM 130 CA THR A 10 -11.138 -11.242 2.397 1.00 13.54 C ATOM 131 C THR A 10 -11.216 -9.784 2.884 1.00 52.52 C ATOM 132 O THR A 10 -10.210 -9.221 3.308 1.00 61.23 O ATOM 133 CB THR A 10 -11.125 -11.379 0.867 1.00 0.01 C ATOM 134 OG1 THR A 10 -11.128 -12.744 0.480 1.00 34.44 O ATOM 135 CG2 THR A 10 -9.899 -10.761 0.201 1.00 21.15 C ATOM 0 H THR A 10 -12.903 -12.326 2.168 1.00 74.25 H new ATOM 0 HA THR A 10 -10.195 -11.634 2.777 1.00 13.54 H new ATOM 0 HB THR A 10 -12.021 -10.850 0.543 1.00 0.01 H new ATOM 0 HG1 THR A 10 -11.121 -12.807 -0.498 1.00 34.44 H new ATOM 0 HG21 THR A 10 -9.963 -10.898 -0.878 1.00 21.15 H new ATOM 0 HG22 THR A 10 -9.859 -9.696 0.429 1.00 21.15 H new ATOM 0 HG23 THR A 10 -8.998 -11.247 0.576 1.00 21.15 H new ATOM 143 N PHE A 11 -12.411 -9.196 2.871 1.00 2.31 N ATOM 144 CA PHE A 11 -12.715 -7.841 3.312 1.00 54.43 C ATOM 145 C PHE A 11 -12.526 -7.712 4.835 1.00 2.41 C ATOM 146 O PHE A 11 -12.139 -6.673 5.368 1.00 32.02 O ATOM 147 CB PHE A 11 -14.152 -7.510 2.873 1.00 25.32 C ATOM 148 CG PHE A 11 -14.472 -6.066 2.549 1.00 64.11 C ATOM 149 CD1 PHE A 11 -13.765 -4.994 3.124 1.00 32.05 C ATOM 150 CD2 PHE A 11 -15.522 -5.801 1.651 1.00 71.24 C ATOM 151 CE1 PHE A 11 -14.134 -3.664 2.839 1.00 20.31 C ATOM 152 CE2 PHE A 11 -15.882 -4.477 1.354 1.00 72.32 C ATOM 153 CZ PHE A 11 -15.207 -3.408 1.968 1.00 65.24 C ATOM 0 H PHE A 11 -13.240 -9.684 2.532 1.00 2.31 H new ATOM 0 HA PHE A 11 -12.031 -7.125 2.857 1.00 54.43 H new ATOM 0 HB2 PHE A 11 -14.381 -8.110 1.992 1.00 25.32 H new ATOM 0 HB3 PHE A 11 -14.828 -7.834 3.664 1.00 25.32 H new ATOM 0 HD1 PHE A 11 -12.936 -5.191 3.787 1.00 32.05 H new ATOM 0 HD2 PHE A 11 -16.053 -6.619 1.188 1.00 71.24 H new ATOM 0 HE1 PHE A 11 -13.594 -2.844 3.289 1.00 20.31 H new ATOM 0 HE2 PHE A 11 -16.679 -4.280 0.652 1.00 72.32 H new ATOM 0 HZ PHE A 11 -15.512 -2.391 1.771 1.00 65.24 H new ATOM 163 N SER A 12 -12.806 -8.775 5.574 1.00 52.41 N ATOM 164 CA SER A 12 -12.451 -8.913 6.981 1.00 3.30 C ATOM 165 C SER A 12 -10.932 -8.772 7.156 1.00 51.11 C ATOM 166 O SER A 12 -10.480 -7.936 7.945 1.00 3.04 O ATOM 167 CB SER A 12 -12.985 -10.250 7.521 1.00 34.53 C ATOM 168 OG SER A 12 -13.312 -10.140 8.887 1.00 33.32 O ATOM 0 H SER A 12 -13.299 -9.587 5.203 1.00 52.41 H new ATOM 0 HA SER A 12 -12.915 -8.117 7.564 1.00 3.30 H new ATOM 0 HB2 SER A 12 -13.866 -10.551 6.954 1.00 34.53 H new ATOM 0 HB3 SER A 12 -12.235 -11.029 7.383 1.00 34.53 H new ATOM 0 HG SER A 12 -13.652 -11.000 9.212 1.00 33.32 H new ATOM 174 N ILE A 13 -10.154 -9.571 6.414 1.00 45.32 N ATOM 175 CA ILE A 13 -8.702 -9.659 6.531 1.00 14.50 C ATOM 176 C ILE A 13 -8.060 -8.306 6.234 1.00 34.12 C ATOM 177 O ILE A 13 -7.277 -7.851 7.062 1.00 34.35 O ATOM 178 CB ILE A 13 -8.144 -10.814 5.665 1.00 15.23 C ATOM 179 CG1 ILE A 13 -8.523 -12.166 6.311 1.00 24.34 C ATOM 180 CG2 ILE A 13 -6.609 -10.744 5.507 1.00 52.31 C ATOM 181 CD1 ILE A 13 -8.455 -13.357 5.351 1.00 3.22 C ATOM 0 H ILE A 13 -10.533 -10.189 5.697 1.00 45.32 H new ATOM 0 HA ILE A 13 -8.438 -9.906 7.559 1.00 14.50 H new ATOM 0 HB ILE A 13 -8.584 -10.720 4.672 1.00 15.23 H new ATOM 0 HG12 ILE A 13 -7.857 -12.353 7.154 1.00 24.34 H new ATOM 0 HG13 ILE A 13 -9.534 -12.094 6.713 1.00 24.34 H new ATOM 0 HG21 ILE A 13 -6.268 -11.576 4.891 1.00 52.31 H new ATOM 0 HG22 ILE A 13 -6.335 -9.803 5.029 1.00 52.31 H new ATOM 0 HG23 ILE A 13 -6.139 -10.803 6.489 1.00 52.31 H new ATOM 0 HD11 ILE A 13 -8.735 -14.268 5.881 1.00 3.22 H new ATOM 0 HD12 ILE A 13 -9.142 -13.194 4.520 1.00 3.22 H new ATOM 0 HD13 ILE A 13 -7.440 -13.458 4.968 1.00 3.22 H new ATOM 193 N CYS A 14 -8.356 -7.644 5.104 1.00 42.43 N ATOM 194 CA CYS A 14 -7.665 -6.395 4.766 1.00 71.02 C ATOM 195 C CYS A 14 -7.783 -5.358 5.885 1.00 75.44 C ATOM 196 O CYS A 14 -6.782 -4.731 6.222 1.00 53.24 O ATOM 197 CB CYS A 14 -8.125 -5.788 3.432 1.00 61.45 C ATOM 198 SG CYS A 14 -9.920 -5.807 3.278 1.00 44.54 S ATOM 0 H CYS A 14 -9.054 -7.946 4.424 1.00 42.43 H new ATOM 0 HA CYS A 14 -6.616 -6.669 4.651 1.00 71.02 H new ATOM 0 HB2 CYS A 14 -7.764 -4.763 3.354 1.00 61.45 H new ATOM 0 HB3 CYS A 14 -7.683 -6.345 2.606 1.00 61.45 H new ATOM 0 HG CYS A 14 -10.352 -4.595 3.091 1.00 44.54 H new ATOM 204 N LYS A 15 -8.972 -5.181 6.474 1.00 61.20 N ATOM 205 CA LYS A 15 -9.161 -4.174 7.519 1.00 71.41 C ATOM 206 C LYS A 15 -8.315 -4.455 8.760 1.00 64.32 C ATOM 207 O LYS A 15 -7.955 -3.497 9.446 1.00 53.44 O ATOM 208 CB LYS A 15 -10.632 -4.048 7.941 1.00 2.12 C ATOM 209 CG LYS A 15 -11.587 -3.597 6.835 1.00 72.43 C ATOM 210 CD LYS A 15 -12.975 -3.296 7.423 1.00 54.23 C ATOM 211 CE LYS A 15 -14.102 -3.732 6.490 1.00 22.04 C ATOM 212 NZ LYS A 15 -14.370 -5.181 6.568 1.00 53.52 N1+ ATOM 0 H LYS A 15 -9.809 -5.718 6.246 1.00 61.20 H new ATOM 0 HA LYS A 15 -8.834 -3.234 7.075 1.00 71.41 H new ATOM 0 HB2 LYS A 15 -10.969 -5.013 8.320 1.00 2.12 H new ATOM 0 HB3 LYS A 15 -10.698 -3.340 8.767 1.00 2.12 H new ATOM 0 HG2 LYS A 15 -11.192 -2.708 6.343 1.00 72.43 H new ATOM 0 HG3 LYS A 15 -11.667 -4.373 6.074 1.00 72.43 H new ATOM 0 HD2 LYS A 15 -13.081 -3.806 8.381 1.00 54.23 H new ATOM 0 HD3 LYS A 15 -13.061 -2.227 7.619 1.00 54.23 H new ATOM 0 HE2 LYS A 15 -15.010 -3.184 6.741 1.00 22.04 H new ATOM 0 HE3 LYS A 15 -13.843 -3.468 5.465 1.00 22.04 H new ATOM 0 HZ1 LYS A 15 -15.245 -5.401 6.051 1.00 53.52 H new ATOM 0 HZ2 LYS A 15 -13.577 -5.704 6.145 1.00 53.52 H new ATOM 0 HZ3 LYS A 15 -14.477 -5.461 7.564 1.00 53.52 H new ATOM 226 N GLU A 16 -8.028 -5.722 9.065 1.00 32.01 N ATOM 227 CA GLU A 16 -7.192 -6.142 10.177 1.00 34.41 C ATOM 228 C GLU A 16 -5.711 -6.072 9.771 1.00 35.03 C ATOM 229 O GLU A 16 -4.871 -5.658 10.564 1.00 3.44 O ATOM 230 CB GLU A 16 -7.680 -7.550 10.557 1.00 11.31 C ATOM 231 CG GLU A 16 -6.659 -8.453 11.232 1.00 11.31 C ATOM 232 CD GLU A 16 -6.103 -7.927 12.557 1.00 44.31 C ATOM 233 OE1 GLU A 16 -6.875 -7.365 13.363 1.00 55.10 O1- ATOM 234 OE2 GLU A 16 -4.884 -8.123 12.790 1.00 73.22 O ATOM 0 H GLU A 16 -8.387 -6.507 8.522 1.00 32.01 H new ATOM 0 HA GLU A 16 -7.271 -5.494 11.050 1.00 34.41 H new ATOM 0 HB2 GLU A 16 -8.539 -7.448 11.220 1.00 11.31 H new ATOM 0 HB3 GLU A 16 -8.032 -8.047 9.653 1.00 11.31 H new ATOM 0 HG2 GLU A 16 -7.118 -9.426 11.409 1.00 11.31 H new ATOM 0 HG3 GLU A 16 -5.828 -8.613 10.545 1.00 11.31 H new ATOM 241 N ARG A 17 -5.365 -6.407 8.522 1.00 63.14 N ATOM 242 CA ARG A 17 -4.001 -6.240 8.024 1.00 23.14 C ATOM 243 C ARG A 17 -3.602 -4.768 8.114 1.00 53.13 C ATOM 244 O ARG A 17 -2.495 -4.456 8.542 1.00 22.52 O ATOM 245 CB ARG A 17 -3.859 -6.794 6.596 1.00 51.25 C ATOM 246 CG ARG A 17 -3.897 -8.332 6.532 1.00 12.51 C ATOM 247 CD ARG A 17 -2.584 -8.982 7.003 1.00 23.13 C ATOM 248 NE ARG A 17 -2.682 -10.451 7.099 1.00 4.42 N ATOM 249 CZ ARG A 17 -3.381 -11.132 8.018 1.00 41.23 C ATOM 250 NH1 ARG A 17 -3.865 -10.528 9.100 1.00 10.31 N1+ ATOM 251 NH2 ARG A 17 -3.611 -12.430 7.861 1.00 54.34 N ATOM 0 H ARG A 17 -6.015 -6.796 7.839 1.00 63.14 H new ATOM 0 HA ARG A 17 -3.318 -6.817 8.647 1.00 23.14 H new ATOM 0 HB2 ARG A 17 -4.661 -6.392 5.976 1.00 51.25 H new ATOM 0 HB3 ARG A 17 -2.919 -6.443 6.169 1.00 51.25 H new ATOM 0 HG2 ARG A 17 -4.719 -8.696 7.148 1.00 12.51 H new ATOM 0 HG3 ARG A 17 -4.104 -8.643 5.508 1.00 12.51 H new ATOM 0 HD2 ARG A 17 -1.784 -8.719 6.311 1.00 23.13 H new ATOM 0 HD3 ARG A 17 -2.310 -8.575 7.976 1.00 23.13 H new ATOM 0 HE ARG A 17 -2.173 -10.997 6.404 1.00 4.42 H new ATOM 0 HH11 ARG A 17 -3.707 -9.530 9.241 1.00 10.31 H new ATOM 0 HH12 ARG A 17 -4.395 -11.063 9.789 1.00 10.31 H new ATOM 0 HH21 ARG A 17 -3.255 -12.915 7.037 1.00 54.34 H new ATOM 0 HH22 ARG A 17 -4.144 -12.942 8.564 1.00 54.34 H new ATOM 265 N MET A 18 -4.493 -3.836 7.787 1.00 71.35 N ATOM 266 CA MET A 18 -4.238 -2.398 7.823 1.00 21.12 C ATOM 267 C MET A 18 -4.221 -1.809 9.253 1.00 10.24 C ATOM 268 O MET A 18 -4.572 -0.644 9.437 1.00 60.01 O ATOM 269 CB MET A 18 -5.258 -1.711 6.887 1.00 35.41 C ATOM 270 CG MET A 18 -4.589 -0.914 5.763 1.00 63.51 C ATOM 271 SD MET A 18 -4.034 -1.835 4.291 1.00 62.02 S ATOM 272 CE MET A 18 -2.619 -2.779 4.910 1.00 72.55 C ATOM 0 H MET A 18 -5.438 -4.066 7.481 1.00 71.35 H new ATOM 0 HA MET A 18 -3.228 -2.203 7.462 1.00 21.12 H new ATOM 0 HB2 MET A 18 -5.911 -2.467 6.451 1.00 35.41 H new ATOM 0 HB3 MET A 18 -5.890 -1.044 7.473 1.00 35.41 H new ATOM 0 HG2 MET A 18 -5.288 -0.145 5.434 1.00 63.51 H new ATOM 0 HG3 MET A 18 -3.725 -0.400 6.184 1.00 63.51 H new ATOM 0 HE1 MET A 18 -2.003 -3.103 4.071 1.00 72.55 H new ATOM 0 HE2 MET A 18 -2.026 -2.151 5.575 1.00 72.55 H new ATOM 0 HE3 MET A 18 -2.975 -3.652 5.457 1.00 72.55 H new ATOM 282 N ARG A 19 -3.828 -2.569 10.281 1.00 70.53 N ATOM 283 CA ARG A 19 -3.816 -2.115 11.670 1.00 32.31 C ATOM 284 C ARG A 19 -2.634 -1.188 11.900 1.00 1.35 C ATOM 285 O ARG A 19 -2.868 -0.051 12.311 1.00 33.22 O ATOM 286 CB ARG A 19 -3.782 -3.290 12.671 1.00 55.31 C ATOM 287 CG ARG A 19 -5.175 -3.720 13.158 1.00 70.22 C ATOM 288 CD ARG A 19 -5.037 -4.734 14.302 1.00 11.33 C ATOM 289 NE ARG A 19 -4.581 -4.067 15.538 1.00 22.22 N ATOM 290 CZ ARG A 19 -4.008 -4.630 16.606 1.00 44.22 C ATOM 291 NH1 ARG A 19 -3.697 -5.918 16.626 1.00 3.14 N1+ ATOM 292 NH2 ARG A 19 -3.740 -3.894 17.679 1.00 44.53 N ATOM 0 H ARG A 19 -3.505 -3.530 10.167 1.00 70.53 H new ATOM 0 HA ARG A 19 -4.745 -1.573 11.847 1.00 32.31 H new ATOM 0 HB2 ARG A 19 -3.290 -4.142 12.202 1.00 55.31 H new ATOM 0 HB3 ARG A 19 -3.176 -3.006 13.532 1.00 55.31 H new ATOM 0 HG2 ARG A 19 -5.736 -2.849 13.497 1.00 70.22 H new ATOM 0 HG3 ARG A 19 -5.738 -4.161 12.335 1.00 70.22 H new ATOM 0 HD2 ARG A 19 -5.995 -5.223 14.479 1.00 11.33 H new ATOM 0 HD3 ARG A 19 -4.329 -5.513 14.021 1.00 11.33 H new ATOM 0 HE ARG A 19 -4.720 -3.057 15.582 1.00 22.22 H new ATOM 0 HH11 ARG A 19 -3.894 -6.503 15.814 1.00 3.14 H new ATOM 0 HH12 ARG A 19 -3.260 -6.324 17.453 1.00 3.14 H new ATOM 0 HH21 ARG A 19 -3.972 -2.901 17.687 1.00 44.53 H new ATOM 0 HH22 ARG A 19 -3.303 -4.322 18.495 1.00 44.53 H new ATOM 306 N PRO A 20 -1.379 -1.615 11.666 1.00 55.23 N ATOM 307 CA PRO A 20 -0.223 -0.769 11.923 1.00 5.31 C ATOM 308 C PRO A 20 -0.291 0.536 11.139 1.00 5.24 C ATOM 309 O PRO A 20 -0.091 1.621 11.686 1.00 22.40 O ATOM 310 CB PRO A 20 0.982 -1.624 11.529 1.00 24.21 C ATOM 311 CG PRO A 20 0.428 -2.662 10.573 1.00 41.52 C ATOM 312 CD PRO A 20 -0.919 -2.927 11.219 1.00 62.13 C ATOM 0 HA PRO A 20 -0.167 -0.457 12.966 1.00 5.31 H new ATOM 0 HB2 PRO A 20 1.755 -1.021 11.053 1.00 24.21 H new ATOM 0 HB3 PRO A 20 1.436 -2.093 12.402 1.00 24.21 H new ATOM 0 HG2 PRO A 20 0.334 -2.283 9.555 1.00 41.52 H new ATOM 0 HG3 PRO A 20 1.049 -3.556 10.524 1.00 41.52 H new ATOM 0 HD2 PRO A 20 -1.618 -3.372 10.510 1.00 62.13 H new ATOM 0 HD3 PRO A 20 -0.828 -3.621 12.055 1.00 62.13 H new ATOM 320 N VAL A 21 -0.623 0.434 9.858 1.00 53.43 N ATOM 321 CA VAL A 21 -0.529 1.533 8.913 1.00 65.33 C ATOM 322 C VAL A 21 -1.829 2.342 8.839 1.00 34.13 C ATOM 323 O VAL A 21 -1.943 3.208 7.978 1.00 65.24 O ATOM 324 CB VAL A 21 -0.029 0.994 7.556 1.00 4.30 C ATOM 325 CG1 VAL A 21 1.449 0.607 7.676 1.00 52.03 C ATOM 326 CG2 VAL A 21 -0.808 -0.231 7.060 1.00 41.14 C ATOM 0 H VAL A 21 -0.971 -0.430 9.443 1.00 53.43 H new ATOM 0 HA VAL A 21 0.208 2.257 9.260 1.00 65.33 H new ATOM 0 HB VAL A 21 -0.180 1.795 6.832 1.00 4.30 H new ATOM 0 HG11 VAL A 21 1.804 0.226 6.719 1.00 52.03 H new ATOM 0 HG12 VAL A 21 2.033 1.483 7.957 1.00 52.03 H new ATOM 0 HG13 VAL A 21 1.562 -0.164 8.438 1.00 52.03 H new ATOM 0 HG21 VAL A 21 -0.403 -0.556 6.102 1.00 41.14 H new ATOM 0 HG22 VAL A 21 -0.716 -1.039 7.786 1.00 41.14 H new ATOM 0 HG23 VAL A 21 -1.859 0.031 6.940 1.00 41.14 H new ATOM 336 N LYS A 22 -2.807 2.133 9.736 1.00 4.01 N ATOM 337 CA LYS A 22 -4.103 2.813 9.665 1.00 52.15 C ATOM 338 C LYS A 22 -3.972 4.340 9.641 1.00 32.24 C ATOM 339 O LYS A 22 -4.730 5.009 8.937 1.00 35.14 O ATOM 340 CB LYS A 22 -4.996 2.365 10.834 1.00 14.31 C ATOM 341 CG LYS A 22 -6.481 2.566 10.495 1.00 51.24 C ATOM 342 CD LYS A 22 -7.346 2.489 11.756 1.00 4.42 C ATOM 343 CE LYS A 22 -8.798 2.850 11.416 1.00 30.13 C ATOM 344 NZ LYS A 22 -9.540 3.274 12.618 1.00 62.13 N1+ ATOM 0 H LYS A 22 -2.719 1.492 10.524 1.00 4.01 H new ATOM 0 HA LYS A 22 -4.566 2.526 8.721 1.00 52.15 H new ATOM 0 HB2 LYS A 22 -4.809 1.315 11.059 1.00 14.31 H new ATOM 0 HB3 LYS A 22 -4.743 2.933 11.729 1.00 14.31 H new ATOM 0 HG2 LYS A 22 -6.620 3.534 10.013 1.00 51.24 H new ATOM 0 HG3 LYS A 22 -6.801 1.806 9.783 1.00 51.24 H new ATOM 0 HD2 LYS A 22 -7.301 1.485 12.178 1.00 4.42 H new ATOM 0 HD3 LYS A 22 -6.961 3.171 12.514 1.00 4.42 H new ATOM 0 HE2 LYS A 22 -8.812 3.650 10.676 1.00 30.13 H new ATOM 0 HE3 LYS A 22 -9.293 1.990 10.965 1.00 30.13 H new ATOM 0 HZ1 LYS A 22 -10.518 3.512 12.356 1.00 62.13 H new ATOM 0 HZ2 LYS A 22 -9.546 2.501 13.313 1.00 62.13 H new ATOM 0 HZ3 LYS A 22 -9.080 4.109 13.033 1.00 62.13 H new ATOM 358 N ALA A 23 -3.004 4.900 10.371 1.00 3.10 N ATOM 359 CA ALA A 23 -2.734 6.325 10.288 1.00 60.23 C ATOM 360 C ALA A 23 -2.318 6.713 8.870 1.00 22.25 C ATOM 361 O ALA A 23 -2.935 7.598 8.290 1.00 61.41 O ATOM 362 CB ALA A 23 -1.670 6.745 11.293 1.00 13.54 C ATOM 0 H ALA A 23 -2.403 4.389 11.018 1.00 3.10 H new ATOM 0 HA ALA A 23 -3.654 6.854 10.535 1.00 60.23 H new ATOM 0 HB1 ALA A 23 -1.490 7.817 11.206 1.00 13.54 H new ATOM 0 HB2 ALA A 23 -2.012 6.515 12.302 1.00 13.54 H new ATOM 0 HB3 ALA A 23 -0.745 6.205 11.091 1.00 13.54 H new ATOM 368 N ALA A 24 -1.313 6.035 8.311 1.00 33.30 N ATOM 369 CA ALA A 24 -0.781 6.326 6.984 1.00 54.32 C ATOM 370 C ALA A 24 -1.867 6.167 5.919 1.00 25.33 C ATOM 371 O ALA A 24 -1.978 6.998 5.027 1.00 41.25 O ATOM 372 CB ALA A 24 0.416 5.416 6.684 1.00 1.31 C ATOM 0 H ALA A 24 -0.842 5.259 8.776 1.00 33.30 H new ATOM 0 HA ALA A 24 -0.441 7.362 6.964 1.00 54.32 H new ATOM 0 HB1 ALA A 24 0.805 5.642 5.691 1.00 1.31 H new ATOM 0 HB2 ALA A 24 1.196 5.584 7.426 1.00 1.31 H new ATOM 0 HB3 ALA A 24 0.099 4.374 6.721 1.00 1.31 H new ATOM 378 N LEU A 25 -2.694 5.126 6.041 1.00 62.25 N ATOM 379 CA LEU A 25 -3.861 4.882 5.218 1.00 63.42 C ATOM 380 C LEU A 25 -4.781 6.102 5.234 1.00 64.02 C ATOM 381 O LEU A 25 -5.196 6.550 4.172 1.00 34.33 O ATOM 382 CB LEU A 25 -4.550 3.640 5.792 1.00 1.32 C ATOM 383 CG LEU A 25 -5.800 3.172 5.042 1.00 2.24 C ATOM 384 CD1 LEU A 25 -5.431 2.428 3.757 1.00 2.21 C ATOM 385 CD2 LEU A 25 -6.571 2.262 6.006 1.00 60.44 C ATOM 0 H LEU A 25 -2.555 4.405 6.749 1.00 62.25 H new ATOM 0 HA LEU A 25 -3.592 4.711 4.176 1.00 63.42 H new ATOM 0 HB2 LEU A 25 -3.830 2.822 5.808 1.00 1.32 H new ATOM 0 HB3 LEU A 25 -4.824 3.844 6.827 1.00 1.32 H new ATOM 0 HG LEU A 25 -6.410 4.022 4.736 1.00 2.24 H new ATOM 0 HD11 LEU A 25 -6.340 2.109 3.248 1.00 2.21 H new ATOM 0 HD12 LEU A 25 -4.862 3.090 3.104 1.00 2.21 H new ATOM 0 HD13 LEU A 25 -4.827 1.555 4.003 1.00 2.21 H new ATOM 0 HD21 LEU A 25 -7.476 1.899 5.519 1.00 60.44 H new ATOM 0 HD22 LEU A 25 -5.945 1.415 6.286 1.00 60.44 H new ATOM 0 HD23 LEU A 25 -6.841 2.824 6.900 1.00 60.44 H new ATOM 397 N LYS A 26 -5.117 6.641 6.414 1.00 54.00 N ATOM 398 CA LYS A 26 -6.023 7.787 6.468 1.00 74.52 C ATOM 399 C LYS A 26 -5.325 9.104 6.085 1.00 13.22 C ATOM 400 O LYS A 26 -6.011 10.033 5.668 1.00 65.43 O ATOM 401 CB LYS A 26 -6.742 7.852 7.826 1.00 21.25 C ATOM 402 CG LYS A 26 -8.103 8.559 7.684 1.00 45.03 C ATOM 403 CD LYS A 26 -9.077 8.244 8.828 1.00 54.44 C ATOM 404 CE LYS A 26 -10.435 8.892 8.513 1.00 30.32 C ATOM 405 NZ LYS A 26 -11.525 8.399 9.379 1.00 3.34 N1+ ATOM 0 H LYS A 26 -4.784 6.310 7.319 1.00 54.00 H new ATOM 0 HA LYS A 26 -6.792 7.642 5.710 1.00 74.52 H new ATOM 0 HB2 LYS A 26 -6.888 6.844 8.215 1.00 21.25 H new ATOM 0 HB3 LYS A 26 -6.122 8.385 8.547 1.00 21.25 H new ATOM 0 HG2 LYS A 26 -7.942 9.636 7.641 1.00 45.03 H new ATOM 0 HG3 LYS A 26 -8.559 8.267 6.738 1.00 45.03 H new ATOM 0 HD2 LYS A 26 -9.190 7.166 8.941 1.00 54.44 H new ATOM 0 HD3 LYS A 26 -8.687 8.625 9.772 1.00 54.44 H new ATOM 0 HE2 LYS A 26 -10.350 9.973 8.625 1.00 30.32 H new ATOM 0 HE3 LYS A 26 -10.691 8.699 7.471 1.00 30.32 H new ATOM 0 HZ1 LYS A 26 -12.415 8.871 9.120 1.00 3.34 H new ATOM 0 HZ2 LYS A 26 -11.629 7.372 9.255 1.00 3.34 H new ATOM 0 HZ3 LYS A 26 -11.300 8.606 10.373 1.00 3.34 H new ATOM 419 N GLN A 27 -3.994 9.217 6.194 1.00 44.31 N ATOM 420 CA GLN A 27 -3.256 10.330 5.579 1.00 45.20 C ATOM 421 C GLN A 27 -3.398 10.281 4.048 1.00 75.11 C ATOM 422 O GLN A 27 -3.584 11.313 3.409 1.00 3.23 O ATOM 423 CB GLN A 27 -1.757 10.293 5.944 1.00 63.33 C ATOM 424 CG GLN A 27 -1.417 10.569 7.420 1.00 62.13 C ATOM 425 CD GLN A 27 -1.543 12.037 7.832 1.00 71.01 C ATOM 426 OE1 GLN A 27 -1.155 12.958 7.118 1.00 33.44 O ATOM 427 NE2 GLN A 27 -2.037 12.291 9.033 1.00 1.20 N ATOM 0 H GLN A 27 -3.408 8.554 6.701 1.00 44.31 H new ATOM 0 HA GLN A 27 -3.685 11.254 5.966 1.00 45.20 H new ATOM 0 HB2 GLN A 27 -1.362 9.313 5.678 1.00 63.33 H new ATOM 0 HB3 GLN A 27 -1.235 11.025 5.328 1.00 63.33 H new ATOM 0 HG2 GLN A 27 -2.074 9.969 8.050 1.00 62.13 H new ATOM 0 HG3 GLN A 27 -0.398 10.236 7.614 1.00 62.13 H new ATOM 0 HE21 GLN A 27 -2.359 11.525 9.625 1.00 1.20 H new ATOM 0 HE22 GLN A 27 -2.096 13.253 9.367 1.00 1.20 H new ATOM 436 N LEU A 28 -3.290 9.092 3.442 1.00 32.11 N ATOM 437 CA LEU A 28 -3.399 8.891 1.993 1.00 1.43 C ATOM 438 C LEU A 28 -4.786 9.267 1.465 1.00 13.42 C ATOM 439 O LEU A 28 -4.916 9.619 0.287 1.00 2.11 O ATOM 440 CB LEU A 28 -3.070 7.424 1.645 1.00 33.02 C ATOM 441 CG LEU A 28 -1.714 7.206 0.956 1.00 3.21 C ATOM 442 CD1 LEU A 28 -1.712 7.728 -0.483 1.00 34.30 C ATOM 443 CD2 LEU A 28 -0.554 7.794 1.771 1.00 62.12 C ATOM 0 H LEU A 28 -3.121 8.227 3.955 1.00 32.11 H new ATOM 0 HA LEU A 28 -2.680 9.551 1.508 1.00 1.43 H new ATOM 0 HB2 LEU A 28 -3.093 6.835 2.562 1.00 33.02 H new ATOM 0 HB3 LEU A 28 -3.856 7.035 0.997 1.00 33.02 H new ATOM 0 HG LEU A 28 -1.558 6.128 0.907 1.00 3.21 H new ATOM 0 HD11 LEU A 28 -0.734 7.553 -0.932 1.00 34.30 H new ATOM 0 HD12 LEU A 28 -2.475 7.206 -1.060 1.00 34.30 H new ATOM 0 HD13 LEU A 28 -1.925 8.797 -0.483 1.00 34.30 H new ATOM 0 HD21 LEU A 28 0.385 7.617 1.247 1.00 62.12 H new ATOM 0 HD22 LEU A 28 -0.704 8.866 1.896 1.00 62.12 H new ATOM 0 HD23 LEU A 28 -0.519 7.317 2.750 1.00 62.12 H new ATOM 455 N ASP A 29 -5.793 9.205 2.334 1.00 4.35 N ATOM 456 CA ASP A 29 -7.192 9.482 2.037 1.00 23.20 C ATOM 457 C ASP A 29 -7.443 10.980 1.916 1.00 70.54 C ATOM 458 O ASP A 29 -7.982 11.424 0.899 1.00 54.23 O ATOM 459 CB ASP A 29 -8.058 8.832 3.122 1.00 44.14 C ATOM 460 CG ASP A 29 -9.548 8.930 2.817 1.00 22.52 C ATOM 461 OD1 ASP A 29 -10.130 10.006 3.064 1.00 31.42 O1- ATOM 462 OD2 ASP A 29 -10.193 7.879 2.587 1.00 42.44 O ATOM 0 H ASP A 29 -5.646 8.948 3.310 1.00 4.35 H new ATOM 0 HA ASP A 29 -7.460 9.054 1.071 1.00 23.20 H new ATOM 0 HB2 ASP A 29 -7.780 7.783 3.224 1.00 44.14 H new ATOM 0 HB3 ASP A 29 -7.854 9.311 4.080 1.00 44.14 H new ATOM 467 N ARG A 30 -7.032 11.765 2.921 1.00 1.15 N ATOM 468 CA ARG A 30 -7.112 13.219 2.914 1.00 60.23 C ATOM 469 C ARG A 30 -5.908 13.819 3.656 1.00 21.12 C ATOM 470 O ARG A 30 -5.489 13.253 4.668 1.00 42.23 O ATOM 471 CB ARG A 30 -8.473 13.608 3.511 1.00 12.30 C ATOM 472 CG ARG A 30 -8.666 13.408 5.028 1.00 32.22 C ATOM 473 CD ARG A 30 -8.257 14.649 5.833 1.00 61.42 C ATOM 474 NE ARG A 30 -8.544 14.484 7.266 1.00 74.33 N ATOM 475 CZ ARG A 30 -8.884 15.448 8.131 1.00 54.25 C ATOM 476 NH1 ARG A 30 -8.957 16.725 7.773 1.00 2.44 N1+ ATOM 477 NH2 ARG A 30 -9.131 15.116 9.387 1.00 42.22 N ATOM 0 H ARG A 30 -6.626 11.391 3.779 1.00 1.15 H new ATOM 0 HA ARG A 30 -7.058 13.627 1.905 1.00 60.23 H new ATOM 0 HB2 ARG A 30 -8.652 14.659 3.284 1.00 12.30 H new ATOM 0 HB3 ARG A 30 -9.243 13.035 2.995 1.00 12.30 H new ATOM 0 HG2 ARG A 30 -9.711 13.173 5.232 1.00 32.22 H new ATOM 0 HG3 ARG A 30 -8.077 12.553 5.358 1.00 32.22 H new ATOM 0 HD2 ARG A 30 -7.193 14.839 5.694 1.00 61.42 H new ATOM 0 HD3 ARG A 30 -8.789 15.521 5.453 1.00 61.42 H new ATOM 0 HE ARG A 30 -8.477 13.537 7.640 1.00 74.33 H new ATOM 0 HH11 ARG A 30 -8.751 16.998 6.812 1.00 2.44 H new ATOM 0 HH12 ARG A 30 -9.219 17.433 8.459 1.00 2.44 H new ATOM 0 HH21 ARG A 30 -9.061 14.142 9.680 1.00 42.22 H new ATOM 0 HH22 ARG A 30 -9.392 15.834 10.063 1.00 42.22 H new ATOM 491 N PRO A 31 -5.380 14.974 3.214 1.00 42.22 N ATOM 492 CA PRO A 31 -4.117 15.514 3.707 1.00 54.35 C ATOM 493 C PRO A 31 -4.289 16.108 5.105 1.00 4.11 C ATOM 494 O PRO A 31 -5.396 16.475 5.512 1.00 74.21 O ATOM 495 CB PRO A 31 -3.728 16.596 2.691 1.00 32.13 C ATOM 496 CG PRO A 31 -5.081 17.104 2.196 1.00 42.02 C ATOM 497 CD PRO A 31 -5.916 15.827 2.165 1.00 44.54 C ATOM 0 HA PRO A 31 -3.349 14.746 3.798 1.00 54.35 H new ATOM 0 HB2 PRO A 31 -3.142 17.391 3.152 1.00 32.13 H new ATOM 0 HB3 PRO A 31 -3.127 16.189 1.878 1.00 32.13 H new ATOM 0 HG2 PRO A 31 -5.505 17.851 2.867 1.00 42.02 H new ATOM 0 HG3 PRO A 31 -5.007 17.565 1.211 1.00 42.02 H new ATOM 0 HD2 PRO A 31 -6.970 16.045 2.339 1.00 44.54 H new ATOM 0 HD3 PRO A 31 -5.848 15.340 1.192 1.00 44.54 H new ATOM 505 N GLU A 32 -3.192 16.345 5.817 1.00 1.13 N ATOM 506 CA GLU A 32 -3.188 16.912 7.161 1.00 30.44 C ATOM 507 C GLU A 32 -2.487 18.279 7.137 1.00 4.33 C ATOM 508 O GLU A 32 -2.007 18.726 6.094 1.00 30.13 O ATOM 509 CB GLU A 32 -2.579 15.863 8.114 1.00 33.11 C ATOM 510 CG GLU A 32 -2.625 16.190 9.611 1.00 14.44 C ATOM 511 CD GLU A 32 -4.010 16.644 10.066 1.00 31.31 C ATOM 512 OE1 GLU A 32 -4.826 15.790 10.466 1.00 41.22 O ATOM 513 OE2 GLU A 32 -4.283 17.866 10.045 1.00 23.13 O1- ATOM 0 H GLU A 32 -2.256 16.143 5.466 1.00 1.13 H new ATOM 0 HA GLU A 32 -4.189 17.123 7.538 1.00 30.44 H new ATOM 0 HB2 GLU A 32 -3.097 14.917 7.955 1.00 33.11 H new ATOM 0 HB3 GLU A 32 -1.538 15.708 7.830 1.00 33.11 H new ATOM 0 HG2 GLU A 32 -2.329 15.310 10.182 1.00 14.44 H new ATOM 0 HG3 GLU A 32 -1.899 16.972 9.832 1.00 14.44 H new ATOM 520 N LYS A 33 -2.532 19.009 8.250 1.00 52.24 N ATOM 521 CA LYS A 33 -1.978 20.341 8.415 1.00 32.14 C ATOM 522 C LYS A 33 -1.456 20.592 9.835 1.00 2.41 C ATOM 523 O LYS A 33 -1.257 21.739 10.243 1.00 0.40 O ATOM 524 CB LYS A 33 -2.987 21.369 7.892 1.00 62.42 C ATOM 525 CG LYS A 33 -4.372 21.462 8.548 1.00 63.41 C ATOM 526 CD LYS A 33 -5.305 22.205 7.570 1.00 51.51 C ATOM 527 CE LYS A 33 -6.418 23.052 8.189 1.00 43.22 C ATOM 528 NZ LYS A 33 -7.293 22.309 9.118 1.00 43.21 N1+ ATOM 0 H LYS A 33 -2.979 18.666 9.100 1.00 52.24 H new ATOM 0 HA LYS A 33 -1.078 20.448 7.809 1.00 32.14 H new ATOM 0 HB2 LYS A 33 -2.522 22.352 7.967 1.00 62.42 H new ATOM 0 HB3 LYS A 33 -3.139 21.169 6.831 1.00 62.42 H new ATOM 0 HG2 LYS A 33 -4.760 20.467 8.765 1.00 63.41 H new ATOM 0 HG3 LYS A 33 -4.311 21.994 9.497 1.00 63.41 H new ATOM 0 HD2 LYS A 33 -4.693 22.854 6.943 1.00 51.51 H new ATOM 0 HD3 LYS A 33 -5.765 21.467 6.912 1.00 51.51 H new ATOM 0 HE2 LYS A 33 -5.969 23.890 8.721 1.00 43.22 H new ATOM 0 HE3 LYS A 33 -7.028 23.472 7.389 1.00 43.22 H new ATOM 0 HZ1 LYS A 33 -8.021 22.949 9.496 1.00 43.21 H new ATOM 0 HZ2 LYS A 33 -7.751 21.525 8.611 1.00 43.21 H new ATOM 0 HZ3 LYS A 33 -6.725 21.930 9.902 1.00 43.21 H new ATOM 542 N GLY A 34 -1.229 19.524 10.603 1.00 62.23 N ATOM 543 CA GLY A 34 -0.817 19.548 12.003 1.00 43.33 C ATOM 544 C GLY A 34 0.695 19.491 12.230 1.00 1.12 C ATOM 545 O GLY A 34 1.106 19.193 13.349 1.00 35.04 O ATOM 0 H GLY A 34 -1.333 18.574 10.246 1.00 62.23 H new ATOM 0 HA2 GLY A 34 -1.205 20.455 12.465 1.00 43.33 H new ATOM 0 HA3 GLY A 34 -1.279 18.705 12.517 1.00 43.33 H new ATOM 549 N LEU A 35 1.516 19.692 11.195 1.00 20.30 N ATOM 550 CA LEU A 35 2.976 19.598 11.270 1.00 75.01 C ATOM 551 C LEU A 35 3.605 20.854 10.666 1.00 50.32 C ATOM 552 O LEU A 35 3.807 21.835 11.375 1.00 62.14 O ATOM 553 CB LEU A 35 3.429 18.321 10.533 1.00 30.55 C ATOM 554 CG LEU A 35 3.258 17.041 11.361 1.00 75.10 C ATOM 555 CD1 LEU A 35 3.073 15.838 10.432 1.00 74.41 C ATOM 556 CD2 LEU A 35 4.485 16.846 12.254 1.00 10.10 C ATOM 0 H LEU A 35 1.177 19.929 10.263 1.00 20.30 H new ATOM 0 HA LEU A 35 3.303 19.533 12.308 1.00 75.01 H new ATOM 0 HB2 LEU A 35 2.860 18.224 9.608 1.00 30.55 H new ATOM 0 HB3 LEU A 35 4.477 18.425 10.253 1.00 30.55 H new ATOM 0 HG LEU A 35 2.372 17.129 11.990 1.00 75.10 H new ATOM 0 HD11 LEU A 35 2.952 14.933 11.028 1.00 74.41 H new ATOM 0 HD12 LEU A 35 2.187 15.987 9.815 1.00 74.41 H new ATOM 0 HD13 LEU A 35 3.948 15.736 9.790 1.00 74.41 H new ATOM 0 HD21 LEU A 35 4.365 15.937 12.843 1.00 10.10 H new ATOM 0 HD22 LEU A 35 5.377 16.761 11.633 1.00 10.10 H new ATOM 0 HD23 LEU A 35 4.588 17.701 12.923 1.00 10.10 H new ATOM 568 N SER A 36 3.813 20.876 9.351 1.00 13.30 N ATOM 569 CA SER A 36 4.169 22.024 8.540 1.00 21.20 C ATOM 570 C SER A 36 3.861 21.673 7.080 1.00 65.31 C ATOM 571 O SER A 36 3.487 20.535 6.770 1.00 60.15 O ATOM 572 CB SER A 36 5.653 22.366 8.753 1.00 50.44 C ATOM 573 OG SER A 36 5.950 23.692 8.357 1.00 62.23 O ATOM 0 H SER A 36 3.730 20.028 8.790 1.00 13.30 H new ATOM 0 HA SER A 36 3.595 22.907 8.822 1.00 21.20 H new ATOM 0 HB2 SER A 36 5.909 22.235 9.804 1.00 50.44 H new ATOM 0 HB3 SER A 36 6.271 21.670 8.186 1.00 50.44 H new ATOM 0 HG SER A 36 6.901 23.873 8.509 1.00 62.23 H new ATOM 579 N GLU A 37 4.020 22.633 6.176 1.00 43.12 N ATOM 580 CA GLU A 37 3.850 22.425 4.741 1.00 23.33 C ATOM 581 C GLU A 37 4.974 21.522 4.233 1.00 0.42 C ATOM 582 O GLU A 37 4.721 20.530 3.552 1.00 53.05 O ATOM 583 CB GLU A 37 3.828 23.783 4.015 1.00 4.24 C ATOM 584 CG GLU A 37 2.977 23.785 2.738 1.00 51.34 C ATOM 585 CD GLU A 37 3.580 23.008 1.570 1.00 10.03 C ATOM 586 OE1 GLU A 37 4.693 23.375 1.136 1.00 32.52 O1- ATOM 587 OE2 GLU A 37 2.877 22.099 1.062 1.00 20.55 O ATOM 0 H GLU A 37 4.274 23.590 6.421 1.00 43.12 H new ATOM 0 HA GLU A 37 2.899 21.933 4.538 1.00 23.33 H new ATOM 0 HB2 GLU A 37 3.447 24.543 4.697 1.00 4.24 H new ATOM 0 HB3 GLU A 37 4.850 24.066 3.761 1.00 4.24 H new ATOM 0 HG2 GLU A 37 1.998 23.366 2.969 1.00 51.34 H new ATOM 0 HG3 GLU A 37 2.816 24.817 2.426 1.00 51.34 H new ATOM 594 N ARG A 38 6.221 21.813 4.634 1.00 21.15 N ATOM 595 CA ARG A 38 7.355 21.000 4.206 1.00 61.30 C ATOM 596 C ARG A 38 7.192 19.570 4.692 1.00 25.54 C ATOM 597 O ARG A 38 7.511 18.638 3.956 1.00 2.34 O ATOM 598 CB ARG A 38 8.681 21.585 4.719 1.00 12.35 C ATOM 599 CG ARG A 38 9.919 20.724 4.396 1.00 63.40 C ATOM 600 CD ARG A 38 10.415 20.801 2.947 1.00 71.42 C ATOM 601 NE ARG A 38 9.419 20.389 1.947 1.00 64.41 N ATOM 602 CZ ARG A 38 9.294 20.914 0.719 1.00 71.50 C ATOM 603 NH1 ARG A 38 10.158 21.821 0.262 1.00 14.30 N1+ ATOM 604 NH2 ARG A 38 8.301 20.515 -0.061 1.00 51.23 N ATOM 0 H ARG A 38 6.461 22.594 5.244 1.00 21.15 H new ATOM 0 HA ARG A 38 7.380 21.004 3.116 1.00 61.30 H new ATOM 0 HB2 ARG A 38 8.819 22.576 4.287 1.00 12.35 H new ATOM 0 HB3 ARG A 38 8.614 21.714 5.799 1.00 12.35 H new ATOM 0 HG2 ARG A 38 10.732 21.025 5.057 1.00 63.40 H new ATOM 0 HG3 ARG A 38 9.688 19.684 4.628 1.00 63.40 H new ATOM 0 HD2 ARG A 38 10.725 21.824 2.735 1.00 71.42 H new ATOM 0 HD3 ARG A 38 11.299 20.172 2.843 1.00 71.42 H new ATOM 0 HE ARG A 38 8.772 19.645 2.208 1.00 64.41 H new ATOM 0 HH11 ARG A 38 10.933 22.129 0.850 1.00 14.30 H new ATOM 0 HH12 ARG A 38 10.044 22.207 -0.675 1.00 14.30 H new ATOM 0 HH21 ARG A 38 7.640 19.814 0.274 1.00 51.23 H new ATOM 0 HH22 ARG A 38 8.198 20.908 -0.996 1.00 51.23 H new ATOM 618 N GLU A 39 6.736 19.428 5.934 1.00 34.32 N ATOM 619 CA GLU A 39 6.583 18.162 6.622 1.00 22.23 C ATOM 620 C GLU A 39 5.642 17.278 5.846 1.00 4.10 C ATOM 621 O GLU A 39 5.995 16.137 5.598 1.00 34.05 O ATOM 622 CB GLU A 39 6.001 18.389 8.013 1.00 71.25 C ATOM 623 CG GLU A 39 6.995 19.094 8.926 1.00 31.04 C ATOM 624 CD GLU A 39 8.062 18.167 9.518 1.00 75.22 C ATOM 625 OE1 GLU A 39 7.937 16.921 9.445 1.00 14.54 O1- ATOM 626 OE2 GLU A 39 9.047 18.741 10.036 1.00 73.33 O ATOM 0 H GLU A 39 6.454 20.225 6.505 1.00 34.32 H new ATOM 0 HA GLU A 39 7.561 17.689 6.706 1.00 22.23 H new ATOM 0 HB2 GLU A 39 5.091 18.984 7.935 1.00 71.25 H new ATOM 0 HB3 GLU A 39 5.719 17.432 8.451 1.00 71.25 H new ATOM 0 HG2 GLU A 39 7.488 19.888 8.365 1.00 31.04 H new ATOM 0 HG3 GLU A 39 6.450 19.571 9.741 1.00 31.04 H new ATOM 633 N GLN A 40 4.474 17.790 5.441 1.00 75.44 N ATOM 634 CA GLN A 40 3.493 17.009 4.698 1.00 33.21 C ATOM 635 C GLN A 40 4.122 16.365 3.462 1.00 45.12 C ATOM 636 O GLN A 40 3.768 15.234 3.122 1.00 73.12 O ATOM 637 CB GLN A 40 2.297 17.890 4.308 1.00 44.22 C ATOM 638 CG GLN A 40 1.288 18.091 5.449 1.00 34.02 C ATOM 639 CD GLN A 40 0.512 16.800 5.723 1.00 3.44 C ATOM 640 OE1 GLN A 40 -0.351 16.396 4.945 1.00 24.20 O ATOM 641 NE2 GLN A 40 0.818 16.090 6.799 1.00 2.34 N ATOM 0 H GLN A 40 4.188 18.753 5.621 1.00 75.44 H new ATOM 0 HA GLN A 40 3.136 16.206 5.343 1.00 33.21 H new ATOM 0 HB2 GLN A 40 2.664 18.863 3.982 1.00 44.22 H new ATOM 0 HB3 GLN A 40 1.786 17.440 3.457 1.00 44.22 H new ATOM 0 HG2 GLN A 40 1.811 18.404 6.352 1.00 34.02 H new ATOM 0 HG3 GLN A 40 0.593 18.890 5.190 1.00 34.02 H new ATOM 0 HE21 GLN A 40 1.534 16.425 7.444 1.00 2.34 H new ATOM 0 HE22 GLN A 40 0.338 15.209 6.982 1.00 2.34 H new ATOM 650 N LEU A 41 5.080 17.040 2.825 1.00 41.12 N ATOM 651 CA LEU A 41 5.806 16.489 1.699 1.00 15.34 C ATOM 652 C LEU A 41 6.548 15.215 2.106 1.00 23.34 C ATOM 653 O LEU A 41 6.337 14.173 1.485 1.00 52.42 O ATOM 654 CB LEU A 41 6.761 17.535 1.097 1.00 21.03 C ATOM 655 CG LEU A 41 6.713 17.621 -0.440 1.00 0.11 C ATOM 656 CD1 LEU A 41 6.540 16.281 -1.162 1.00 22.31 C ATOM 657 CD2 LEU A 41 5.594 18.569 -0.871 1.00 65.33 C ATOM 0 H LEU A 41 5.368 17.984 3.082 1.00 41.12 H new ATOM 0 HA LEU A 41 5.088 16.219 0.924 1.00 15.34 H new ATOM 0 HB2 LEU A 41 6.519 18.513 1.512 1.00 21.03 H new ATOM 0 HB3 LEU A 41 7.780 17.301 1.405 1.00 21.03 H new ATOM 0 HG LEU A 41 7.693 17.995 -0.735 1.00 0.11 H new ATOM 0 HD11 LEU A 41 6.518 16.448 -2.239 1.00 22.31 H new ATOM 0 HD12 LEU A 41 7.373 15.624 -0.914 1.00 22.31 H new ATOM 0 HD13 LEU A 41 5.605 15.816 -0.848 1.00 22.31 H new ATOM 0 HD21 LEU A 41 5.565 18.626 -1.959 1.00 65.33 H new ATOM 0 HD22 LEU A 41 4.639 18.196 -0.501 1.00 65.33 H new ATOM 0 HD23 LEU A 41 5.780 19.562 -0.460 1.00 65.33 H new ATOM 669 N GLU A 42 7.401 15.267 3.136 1.00 33.24 N ATOM 670 CA GLU A 42 8.115 14.071 3.583 1.00 33.03 C ATOM 671 C GLU A 42 7.129 13.031 4.121 1.00 40.42 C ATOM 672 O GLU A 42 7.270 11.844 3.820 1.00 21.43 O ATOM 673 CB GLU A 42 9.249 14.391 4.575 1.00 30.51 C ATOM 674 CG GLU A 42 10.000 13.090 4.939 1.00 14.32 C ATOM 675 CD GLU A 42 11.450 13.287 5.391 1.00 3.02 C ATOM 676 OE1 GLU A 42 11.791 14.278 6.056 1.00 2.14 O1- ATOM 677 OE2 GLU A 42 12.296 12.412 5.047 1.00 44.20 O ATOM 0 H GLU A 42 7.610 16.112 3.667 1.00 33.24 H new ATOM 0 HA GLU A 42 8.613 13.636 2.716 1.00 33.03 H new ATOM 0 HB2 GLU A 42 9.939 15.110 4.135 1.00 30.51 H new ATOM 0 HB3 GLU A 42 8.840 14.851 5.475 1.00 30.51 H new ATOM 0 HG2 GLU A 42 9.453 12.582 5.733 1.00 14.32 H new ATOM 0 HG3 GLU A 42 9.992 12.428 4.073 1.00 14.32 H new ATOM 684 N HIS A 43 6.105 13.473 4.850 1.00 44.33 N ATOM 685 CA HIS A 43 5.052 12.643 5.402 1.00 44.01 C ATOM 686 C HIS A 43 4.374 11.849 4.286 1.00 54.41 C ATOM 687 O HIS A 43 4.013 10.707 4.517 1.00 14.03 O ATOM 688 CB HIS A 43 4.028 13.506 6.171 1.00 30.04 C ATOM 689 CG HIS A 43 3.625 12.932 7.505 1.00 15.00 C ATOM 690 ND1 HIS A 43 4.324 13.072 8.687 1.00 21.13 N ATOM 691 CD2 HIS A 43 2.463 12.269 7.791 1.00 25.41 C ATOM 692 CE1 HIS A 43 3.603 12.497 9.665 1.00 13.25 C ATOM 693 NE2 HIS A 43 2.455 12.001 9.166 1.00 71.41 N ATOM 0 H HIS A 43 5.988 14.460 5.077 1.00 44.33 H new ATOM 0 HA HIS A 43 5.490 11.938 6.108 1.00 44.01 H new ATOM 0 HB2 HIS A 43 4.449 14.500 6.326 1.00 30.04 H new ATOM 0 HB3 HIS A 43 3.137 13.630 5.556 1.00 30.04 H new ATOM 0 HD2 HIS A 43 1.691 12.001 7.085 1.00 25.41 H new ATOM 0 HE1 HIS A 43 3.901 12.441 10.701 1.00 13.25 H new ATOM 0 HE2 HIS A 43 1.721 11.522 9.688 1.00 71.41 H new ATOM 701 N THR A 44 4.234 12.391 3.072 1.00 62.13 N ATOM 702 CA THR A 44 3.684 11.672 1.926 1.00 71.14 C ATOM 703 C THR A 44 4.559 10.458 1.634 1.00 32.51 C ATOM 704 O THR A 44 4.076 9.324 1.672 1.00 73.14 O ATOM 705 CB THR A 44 3.638 12.593 0.694 1.00 22.00 C ATOM 706 OG1 THR A 44 2.989 13.812 0.998 1.00 22.10 O ATOM 707 CG2 THR A 44 2.920 11.986 -0.507 1.00 62.22 C ATOM 0 H THR A 44 4.503 13.351 2.859 1.00 62.13 H new ATOM 0 HA THR A 44 2.669 11.347 2.155 1.00 71.14 H new ATOM 0 HB THR A 44 4.684 12.749 0.429 1.00 22.00 H new ATOM 0 HG1 THR A 44 3.558 14.347 1.590 1.00 22.10 H new ATOM 0 HG21 THR A 44 2.930 12.696 -1.334 1.00 62.22 H new ATOM 0 HG22 THR A 44 3.427 11.070 -0.809 1.00 62.22 H new ATOM 0 HG23 THR A 44 1.889 11.758 -0.237 1.00 62.22 H new ATOM 715 N ARG A 45 5.847 10.673 1.321 1.00 24.01 N ATOM 716 CA ARG A 45 6.675 9.554 0.893 1.00 72.21 C ATOM 717 C ARG A 45 6.790 8.521 2.006 1.00 64.44 C ATOM 718 O ARG A 45 6.592 7.336 1.733 1.00 71.53 O ATOM 719 CB ARG A 45 8.022 9.962 0.278 1.00 64.22 C ATOM 720 CG ARG A 45 8.956 10.953 1.003 1.00 11.44 C ATOM 721 CD ARG A 45 8.945 12.367 0.395 1.00 54.04 C ATOM 722 NE ARG A 45 9.421 12.384 -0.998 1.00 4.24 N ATOM 723 CZ ARG A 45 9.433 13.451 -1.802 1.00 42.41 C ATOM 724 NH1 ARG A 45 9.437 14.695 -1.344 1.00 25.00 N1+ ATOM 725 NH2 ARG A 45 9.420 13.249 -3.110 1.00 0.40 N ATOM 0 H ARG A 45 6.316 11.578 1.356 1.00 24.01 H new ATOM 0 HA ARG A 45 6.161 9.078 0.058 1.00 72.21 H new ATOM 0 HB2 ARG A 45 8.591 9.046 0.117 1.00 64.22 H new ATOM 0 HB3 ARG A 45 7.810 10.383 -0.705 1.00 64.22 H new ATOM 0 HG2 ARG A 45 8.663 11.015 2.051 1.00 11.44 H new ATOM 0 HG3 ARG A 45 9.974 10.564 0.979 1.00 11.44 H new ATOM 0 HD2 ARG A 45 7.932 12.768 0.435 1.00 54.04 H new ATOM 0 HD3 ARG A 45 9.572 13.024 0.998 1.00 54.04 H new ATOM 0 HE ARG A 45 9.771 11.506 -1.382 1.00 4.24 H new ATOM 0 HH11 ARG A 45 9.431 14.868 -0.339 1.00 25.00 H new ATOM 0 HH12 ARG A 45 9.446 15.479 -1.997 1.00 25.00 H new ATOM 0 HH21 ARG A 45 9.401 12.298 -3.479 1.00 0.40 H new ATOM 0 HH22 ARG A 45 9.429 14.044 -3.749 1.00 0.40 H new ATOM 739 N GLN A 46 7.042 8.961 3.237 1.00 54.25 N ATOM 740 CA GLN A 46 7.042 8.129 4.424 1.00 14.35 C ATOM 741 C GLN A 46 5.732 7.391 4.689 1.00 34.32 C ATOM 742 O GLN A 46 5.786 6.265 5.180 1.00 63.33 O ATOM 743 CB GLN A 46 7.416 8.996 5.628 1.00 1.03 C ATOM 744 CG GLN A 46 8.935 9.031 5.785 1.00 71.03 C ATOM 745 CD GLN A 46 9.459 7.680 6.301 1.00 64.21 C ATOM 746 OE1 GLN A 46 8.805 6.994 7.086 1.00 2.51 O ATOM 747 NE2 GLN A 46 10.601 7.212 5.833 1.00 72.22 N ATOM 0 H GLN A 46 7.258 9.938 3.435 1.00 54.25 H new ATOM 0 HA GLN A 46 7.777 7.342 4.254 1.00 14.35 H new ATOM 0 HB2 GLN A 46 7.031 10.007 5.494 1.00 1.03 H new ATOM 0 HB3 GLN A 46 6.956 8.597 6.532 1.00 1.03 H new ATOM 0 HG2 GLN A 46 9.399 9.265 4.827 1.00 71.03 H new ATOM 0 HG3 GLN A 46 9.216 9.824 6.478 1.00 71.03 H new ATOM 0 HE21 GLN A 46 11.153 7.771 5.182 1.00 72.22 H new ATOM 0 HE22 GLN A 46 10.932 6.292 6.123 1.00 72.22 H new ATOM 756 N CYS A 47 4.567 7.986 4.435 1.00 43.24 N ATOM 757 CA CYS A 47 3.293 7.294 4.512 1.00 44.42 C ATOM 758 C CYS A 47 3.282 6.179 3.474 1.00 2.22 C ATOM 759 O CYS A 47 3.070 5.016 3.819 1.00 63.24 O ATOM 760 CB CYS A 47 2.152 8.291 4.271 1.00 3.33 C ATOM 761 SG CYS A 47 1.669 9.074 5.832 1.00 22.35 S ATOM 0 H CYS A 47 4.486 8.967 4.169 1.00 43.24 H new ATOM 0 HA CYS A 47 3.153 6.857 5.500 1.00 44.42 H new ATOM 0 HB2 CYS A 47 2.468 9.051 3.556 1.00 3.33 H new ATOM 0 HB3 CYS A 47 1.296 7.777 3.833 1.00 3.33 H new ATOM 0 HG CYS A 47 2.408 10.123 6.038 1.00 22.35 H new ATOM 767 N LEU A 48 3.515 6.527 2.207 1.00 4.13 N ATOM 768 CA LEU A 48 3.299 5.596 1.108 1.00 3.12 C ATOM 769 C LEU A 48 4.215 4.367 1.210 1.00 50.02 C ATOM 770 O LEU A 48 3.745 3.235 1.029 1.00 33.14 O ATOM 771 CB LEU A 48 3.436 6.370 -0.209 1.00 72.14 C ATOM 772 CG LEU A 48 2.728 5.676 -1.385 1.00 60.44 C ATOM 773 CD1 LEU A 48 2.258 6.732 -2.378 1.00 73.51 C ATOM 774 CD2 LEU A 48 3.628 4.691 -2.141 1.00 44.04 C ATOM 0 H LEU A 48 3.853 7.446 1.921 1.00 4.13 H new ATOM 0 HA LEU A 48 2.292 5.181 1.154 1.00 3.12 H new ATOM 0 HB2 LEU A 48 3.023 7.371 -0.082 1.00 72.14 H new ATOM 0 HB3 LEU A 48 4.493 6.489 -0.447 1.00 72.14 H new ATOM 0 HG LEU A 48 1.898 5.112 -0.958 1.00 60.44 H new ATOM 0 HD11 LEU A 48 1.755 6.247 -3.214 1.00 73.51 H new ATOM 0 HD12 LEU A 48 1.565 7.413 -1.884 1.00 73.51 H new ATOM 0 HD13 LEU A 48 3.117 7.292 -2.747 1.00 73.51 H new ATOM 0 HD21 LEU A 48 3.066 4.237 -2.957 1.00 44.04 H new ATOM 0 HD22 LEU A 48 4.490 5.222 -2.545 1.00 44.04 H new ATOM 0 HD23 LEU A 48 3.969 3.912 -1.459 1.00 44.04 H new ATOM 786 N ILE A 49 5.505 4.569 1.519 1.00 4.15 N ATOM 787 CA ILE A 49 6.441 3.484 1.756 1.00 22.35 C ATOM 788 C ILE A 49 5.964 2.621 2.932 1.00 73.31 C ATOM 789 O ILE A 49 5.874 1.414 2.749 1.00 54.42 O ATOM 790 CB ILE A 49 7.917 3.951 1.861 1.00 2.24 C ATOM 791 CG1 ILE A 49 8.235 4.858 3.066 1.00 3.42 C ATOM 792 CG2 ILE A 49 8.361 4.679 0.581 1.00 45.11 C ATOM 793 CD1 ILE A 49 8.875 4.113 4.233 1.00 33.54 C ATOM 0 H ILE A 49 5.920 5.497 1.609 1.00 4.15 H new ATOM 0 HA ILE A 49 6.446 2.845 0.873 1.00 22.35 H new ATOM 0 HB ILE A 49 8.473 3.024 2.005 1.00 2.24 H new ATOM 0 HG12 ILE A 49 8.904 5.656 2.744 1.00 3.42 H new ATOM 0 HG13 ILE A 49 7.315 5.331 3.408 1.00 3.42 H new ATOM 0 HG21 ILE A 49 9.399 4.995 0.684 1.00 45.11 H new ATOM 0 HG22 ILE A 49 8.269 4.006 -0.271 1.00 45.11 H new ATOM 0 HG23 ILE A 49 7.730 5.553 0.422 1.00 45.11 H new ATOM 0 HD11 ILE A 49 9.072 4.811 5.046 1.00 33.54 H new ATOM 0 HD12 ILE A 49 8.199 3.332 4.581 1.00 33.54 H new ATOM 0 HD13 ILE A 49 9.812 3.662 3.907 1.00 33.54 H new ATOM 805 N LYS A 50 5.566 3.192 4.079 1.00 54.03 N ATOM 806 CA LYS A 50 5.111 2.419 5.234 1.00 10.45 C ATOM 807 C LYS A 50 3.941 1.519 4.829 1.00 65.14 C ATOM 808 O LYS A 50 3.910 0.354 5.221 1.00 21.01 O ATOM 809 CB LYS A 50 4.749 3.375 6.395 1.00 64.21 C ATOM 810 CG LYS A 50 4.643 2.691 7.770 1.00 11.34 C ATOM 811 CD LYS A 50 5.983 2.588 8.522 1.00 30.02 C ATOM 812 CE LYS A 50 6.181 3.809 9.441 1.00 53.21 C ATOM 813 NZ LYS A 50 7.504 3.844 10.105 1.00 51.25 N1+ ATOM 0 H LYS A 50 5.552 4.201 4.227 1.00 54.03 H new ATOM 0 HA LYS A 50 5.911 1.769 5.588 1.00 10.45 H new ATOM 0 HB2 LYS A 50 5.502 4.161 6.451 1.00 64.21 H new ATOM 0 HB3 LYS A 50 3.799 3.859 6.169 1.00 64.21 H new ATOM 0 HG2 LYS A 50 3.934 3.244 8.386 1.00 11.34 H new ATOM 0 HG3 LYS A 50 4.235 1.689 7.636 1.00 11.34 H new ATOM 0 HD2 LYS A 50 6.005 1.673 9.113 1.00 30.02 H new ATOM 0 HD3 LYS A 50 6.804 2.526 7.808 1.00 30.02 H new ATOM 0 HE2 LYS A 50 6.054 4.719 8.854 1.00 53.21 H new ATOM 0 HE3 LYS A 50 5.401 3.810 10.203 1.00 53.21 H new ATOM 0 HZ1 LYS A 50 7.568 4.690 10.706 1.00 51.25 H new ATOM 0 HZ2 LYS A 50 7.621 2.993 10.691 1.00 51.25 H new ATOM 0 HZ3 LYS A 50 8.253 3.874 9.384 1.00 51.25 H new ATOM 827 N ILE A 51 2.992 2.032 4.037 1.00 24.51 N ATOM 828 CA ILE A 51 1.844 1.254 3.600 1.00 1.44 C ATOM 829 C ILE A 51 2.333 0.059 2.792 1.00 1.23 C ATOM 830 O ILE A 51 2.036 -1.083 3.149 1.00 42.41 O ATOM 831 CB ILE A 51 0.822 2.105 2.807 1.00 34.42 C ATOM 832 CG1 ILE A 51 0.202 3.197 3.705 1.00 72.01 C ATOM 833 CG2 ILE A 51 -0.255 1.175 2.226 1.00 64.43 C ATOM 834 CD1 ILE A 51 -0.551 4.268 2.910 1.00 62.13 C ATOM 0 H ILE A 51 3.004 2.990 3.688 1.00 24.51 H new ATOM 0 HA ILE A 51 1.309 0.898 4.481 1.00 1.44 H new ATOM 0 HB ILE A 51 1.328 2.617 1.988 1.00 34.42 H new ATOM 0 HG12 ILE A 51 -0.482 2.731 4.415 1.00 72.01 H new ATOM 0 HG13 ILE A 51 0.991 3.672 4.287 1.00 72.01 H new ATOM 0 HG21 ILE A 51 -0.981 1.764 1.665 1.00 64.43 H new ATOM 0 HG22 ILE A 51 0.212 0.447 1.562 1.00 64.43 H new ATOM 0 HG23 ILE A 51 -0.761 0.653 3.038 1.00 64.43 H new ATOM 0 HD11 ILE A 51 -0.964 5.007 3.596 1.00 62.13 H new ATOM 0 HD12 ILE A 51 0.135 4.758 2.219 1.00 62.13 H new ATOM 0 HD13 ILE A 51 -1.361 3.802 2.348 1.00 62.13 H new ATOM 846 N GLY A 52 3.019 0.322 1.677 1.00 60.25 N ATOM 847 CA GLY A 52 3.330 -0.736 0.730 1.00 12.12 C ATOM 848 C GLY A 52 4.301 -1.757 1.322 1.00 41.42 C ATOM 849 O GLY A 52 4.321 -2.911 0.888 1.00 1.12 O ATOM 0 H GLY A 52 3.363 1.246 1.416 1.00 60.25 H new ATOM 0 HA2 GLY A 52 2.410 -1.239 0.431 1.00 12.12 H new ATOM 0 HA3 GLY A 52 3.763 -0.302 -0.171 1.00 12.12 H new ATOM 853 N ASP A 53 5.092 -1.337 2.306 1.00 15.43 N ATOM 854 CA ASP A 53 6.012 -2.151 3.075 1.00 23.03 C ATOM 855 C ASP A 53 5.266 -3.122 3.981 1.00 4.51 C ATOM 856 O ASP A 53 5.435 -4.326 3.802 1.00 64.45 O ATOM 857 CB ASP A 53 6.926 -1.219 3.860 1.00 51.04 C ATOM 858 CG ASP A 53 7.949 -1.958 4.695 1.00 41.21 C ATOM 859 OD1 ASP A 53 8.799 -2.657 4.106 1.00 74.02 O1- ATOM 860 OD2 ASP A 53 8.019 -1.654 5.909 1.00 2.34 O ATOM 0 H ASP A 53 5.104 -0.360 2.600 1.00 15.43 H new ATOM 0 HA ASP A 53 6.615 -2.767 2.409 1.00 23.03 H new ATOM 0 HB2 ASP A 53 7.442 -0.556 3.166 1.00 51.04 H new ATOM 0 HB3 ASP A 53 6.320 -0.589 4.511 1.00 51.04 H new ATOM 865 N HIS A 54 4.398 -2.651 4.890 1.00 4.14 N ATOM 866 CA HIS A 54 3.711 -3.593 5.780 1.00 61.14 C ATOM 867 C HIS A 54 2.743 -4.492 5.001 1.00 71.00 C ATOM 868 O HIS A 54 2.508 -5.634 5.411 1.00 13.33 O ATOM 869 CB HIS A 54 2.984 -2.880 6.923 1.00 31.12 C ATOM 870 CG HIS A 54 3.879 -2.388 8.033 1.00 71.42 C ATOM 871 ND1 HIS A 54 4.235 -3.084 9.168 1.00 41.41 N ATOM 872 CD2 HIS A 54 4.447 -1.150 8.120 1.00 41.53 C ATOM 873 CE1 HIS A 54 4.993 -2.272 9.922 1.00 33.05 C ATOM 874 NE2 HIS A 54 5.142 -1.073 9.330 1.00 52.53 N ATOM 0 H HIS A 54 4.163 -1.667 5.025 1.00 4.14 H new ATOM 0 HA HIS A 54 4.481 -4.223 6.225 1.00 61.14 H new ATOM 0 HB2 HIS A 54 2.437 -2.031 6.513 1.00 31.12 H new ATOM 0 HB3 HIS A 54 2.245 -3.561 7.346 1.00 31.12 H new ATOM 0 HD1 HIS A 54 3.970 -4.043 9.394 1.00 41.41 H new ATOM 0 HD2 HIS A 54 4.372 -0.366 7.381 1.00 41.53 H new ATOM 0 HE1 HIS A 54 5.424 -2.544 10.874 1.00 33.05 H new ATOM 882 N ILE A 55 2.230 -4.020 3.858 1.00 14.30 N ATOM 883 CA ILE A 55 1.578 -4.859 2.864 1.00 11.25 C ATOM 884 C ILE A 55 2.526 -5.980 2.448 1.00 40.53 C ATOM 885 O ILE A 55 2.204 -7.158 2.625 1.00 21.05 O ATOM 886 CB ILE A 55 1.077 -3.975 1.701 1.00 51.10 C ATOM 887 CG1 ILE A 55 -0.176 -3.211 2.166 1.00 44.42 C ATOM 888 CG2 ILE A 55 0.769 -4.726 0.397 1.00 13.04 C ATOM 889 CD1 ILE A 55 -0.668 -2.153 1.173 1.00 63.25 C ATOM 0 H ILE A 55 2.260 -3.033 3.601 1.00 14.30 H new ATOM 0 HA ILE A 55 0.694 -5.351 3.270 1.00 11.25 H new ATOM 0 HB ILE A 55 1.899 -3.302 1.456 1.00 51.10 H new ATOM 0 HG12 ILE A 55 -0.979 -3.926 2.346 1.00 44.42 H new ATOM 0 HG13 ILE A 55 0.039 -2.727 3.119 1.00 44.42 H new ATOM 0 HG21 ILE A 55 0.424 -4.019 -0.357 1.00 13.04 H new ATOM 0 HG22 ILE A 55 1.671 -5.224 0.042 1.00 13.04 H new ATOM 0 HG23 ILE A 55 -0.008 -5.469 0.580 1.00 13.04 H new ATOM 0 HD11 ILE A 55 -1.553 -1.661 1.575 1.00 63.25 H new ATOM 0 HD12 ILE A 55 0.116 -1.414 1.011 1.00 63.25 H new ATOM 0 HD13 ILE A 55 -0.917 -2.631 0.226 1.00 63.25 H new ATOM 901 N THR A 56 3.665 -5.635 1.857 1.00 5.22 N ATOM 902 CA THR A 56 4.499 -6.615 1.198 1.00 13.14 C ATOM 903 C THR A 56 5.061 -7.620 2.211 1.00 44.41 C ATOM 904 O THR A 56 5.070 -8.813 1.907 1.00 3.10 O ATOM 905 CB THR A 56 5.517 -5.905 0.290 1.00 23.42 C ATOM 906 OG1 THR A 56 4.811 -5.069 -0.623 1.00 70.12 O ATOM 907 CG2 THR A 56 6.313 -6.907 -0.543 1.00 44.22 C ATOM 0 H THR A 56 4.026 -4.682 1.825 1.00 5.22 H new ATOM 0 HA THR A 56 3.917 -7.239 0.520 1.00 13.14 H new ATOM 0 HB THR A 56 6.196 -5.338 0.926 1.00 23.42 H new ATOM 0 HG1 THR A 56 4.653 -4.194 -0.211 1.00 70.12 H new ATOM 0 HG21 THR A 56 7.024 -6.373 -1.174 1.00 44.22 H new ATOM 0 HG22 THR A 56 6.853 -7.583 0.120 1.00 44.22 H new ATOM 0 HG23 THR A 56 5.631 -7.481 -1.170 1.00 44.22 H new ATOM 915 N GLU A 57 5.404 -7.205 3.431 1.00 33.02 N ATOM 916 CA GLU A 57 5.945 -8.125 4.435 1.00 24.11 C ATOM 917 C GLU A 57 4.860 -9.077 4.978 1.00 32.24 C ATOM 918 O GLU A 57 5.188 -10.170 5.438 1.00 3.40 O ATOM 919 CB GLU A 57 6.617 -7.347 5.587 1.00 61.11 C ATOM 920 CG GLU A 57 7.849 -6.513 5.195 1.00 73.54 C ATOM 921 CD GLU A 57 8.914 -7.371 4.515 1.00 61.31 C ATOM 922 OE1 GLU A 57 9.609 -8.152 5.208 1.00 10.24 O1- ATOM 923 OE2 GLU A 57 9.023 -7.325 3.269 1.00 1.40 O ATOM 0 H GLU A 57 5.317 -6.240 3.749 1.00 33.02 H new ATOM 0 HA GLU A 57 6.702 -8.736 3.944 1.00 24.11 H new ATOM 0 HB2 GLU A 57 5.877 -6.682 6.033 1.00 61.11 H new ATOM 0 HB3 GLU A 57 6.912 -8.058 6.358 1.00 61.11 H new ATOM 0 HG2 GLU A 57 7.546 -5.708 4.525 1.00 73.54 H new ATOM 0 HG3 GLU A 57 8.271 -6.045 6.085 1.00 73.54 H new ATOM 930 N CYS A 58 3.569 -8.712 4.919 1.00 11.34 N ATOM 931 CA CYS A 58 2.471 -9.649 5.190 1.00 0.31 C ATOM 932 C CYS A 58 2.333 -10.660 4.046 1.00 73.23 C ATOM 933 O CYS A 58 2.093 -11.843 4.273 1.00 13.34 O ATOM 934 CB CYS A 58 1.151 -8.878 5.365 1.00 31.54 C ATOM 935 SG CYS A 58 0.894 -8.491 7.120 1.00 43.24 S ATOM 0 H CYS A 58 3.261 -7.768 4.684 1.00 11.34 H new ATOM 0 HA CYS A 58 2.696 -10.189 6.110 1.00 0.31 H new ATOM 0 HB2 CYS A 58 1.176 -7.959 4.780 1.00 31.54 H new ATOM 0 HB3 CYS A 58 0.319 -9.473 4.989 1.00 31.54 H new ATOM 0 HG CYS A 58 -0.101 -7.663 7.241 1.00 43.24 H new ATOM 941 N LEU A 59 2.428 -10.201 2.802 1.00 64.12 N ATOM 942 CA LEU A 59 2.290 -11.019 1.598 1.00 53.20 C ATOM 943 C LEU A 59 3.484 -11.951 1.393 1.00 72.32 C ATOM 944 O LEU A 59 3.344 -12.942 0.675 1.00 72.00 O ATOM 945 CB LEU A 59 2.197 -10.088 0.388 1.00 14.43 C ATOM 946 CG LEU A 59 0.963 -9.179 0.445 1.00 53.24 C ATOM 947 CD1 LEU A 59 1.143 -7.978 -0.464 1.00 71.42 C ATOM 948 CD2 LEU A 59 -0.262 -9.944 -0.002 1.00 3.53 C ATOM 0 H LEU A 59 2.609 -9.219 2.596 1.00 64.12 H new ATOM 0 HA LEU A 59 1.396 -11.632 1.710 1.00 53.20 H new ATOM 0 HB2 LEU A 59 3.096 -9.474 0.336 1.00 14.43 H new ATOM 0 HB3 LEU A 59 2.165 -10.684 -0.524 1.00 14.43 H new ATOM 0 HG LEU A 59 0.838 -8.840 1.474 1.00 53.24 H new ATOM 0 HD11 LEU A 59 0.257 -7.345 -0.410 1.00 71.42 H new ATOM 0 HD12 LEU A 59 2.016 -7.408 -0.146 1.00 71.42 H new ATOM 0 HD13 LEU A 59 1.285 -8.317 -1.490 1.00 71.42 H new ATOM 0 HD21 LEU A 59 -1.134 -9.292 0.041 1.00 3.53 H new ATOM 0 HD22 LEU A 59 -0.120 -10.293 -1.025 1.00 3.53 H new ATOM 0 HD23 LEU A 59 -0.416 -10.800 0.655 1.00 3.53 H new ATOM 960 N LYS A 60 4.654 -11.663 1.976 1.00 42.43 N ATOM 961 CA LYS A 60 5.782 -12.597 2.006 1.00 35.12 C ATOM 962 C LYS A 60 5.477 -13.835 2.845 1.00 40.54 C ATOM 963 O LYS A 60 6.228 -14.811 2.749 1.00 41.41 O ATOM 964 CB LYS A 60 7.058 -11.907 2.535 1.00 54.12 C ATOM 965 CG LYS A 60 8.047 -11.515 1.427 1.00 34.15 C ATOM 966 CD LYS A 60 7.642 -10.224 0.706 1.00 11.14 C ATOM 967 CE LYS A 60 8.756 -9.597 -0.144 1.00 52.11 C ATOM 968 NZ LYS A 60 9.435 -10.542 -1.051 1.00 72.35 N1+ ATOM 0 H LYS A 60 4.844 -10.775 2.440 1.00 42.43 H new ATOM 0 HA LYS A 60 5.951 -12.919 0.979 1.00 35.12 H new ATOM 0 HB2 LYS A 60 6.774 -11.013 3.091 1.00 54.12 H new ATOM 0 HB3 LYS A 60 7.558 -12.574 3.238 1.00 54.12 H new ATOM 0 HG2 LYS A 60 9.040 -11.390 1.859 1.00 34.15 H new ATOM 0 HG3 LYS A 60 8.115 -12.326 0.702 1.00 34.15 H new ATOM 0 HD2 LYS A 60 6.786 -10.434 0.064 1.00 11.14 H new ATOM 0 HD3 LYS A 60 7.314 -9.496 1.447 1.00 11.14 H new ATOM 0 HE2 LYS A 60 8.332 -8.785 -0.735 1.00 52.11 H new ATOM 0 HE3 LYS A 60 9.498 -9.153 0.520 1.00 52.11 H new ATOM 0 HZ1 LYS A 60 10.124 -10.028 -1.635 1.00 72.35 H new ATOM 0 HZ2 LYS A 60 9.928 -11.267 -0.491 1.00 72.35 H new ATOM 0 HZ3 LYS A 60 8.732 -10.999 -1.666 1.00 72.35 H new ATOM 982 N GLU A 61 4.418 -13.825 3.660 1.00 54.21 N ATOM 983 CA GLU A 61 4.055 -14.996 4.440 1.00 54.40 C ATOM 984 C GLU A 61 3.538 -16.101 3.521 1.00 62.01 C ATOM 985 O GLU A 61 3.872 -17.271 3.727 1.00 3.42 O ATOM 986 CB GLU A 61 2.989 -14.637 5.480 1.00 64.41 C ATOM 987 CG GLU A 61 3.126 -15.552 6.706 1.00 21.14 C ATOM 988 CD GLU A 61 1.830 -15.712 7.508 1.00 34.24 C ATOM 989 OE1 GLU A 61 1.215 -14.696 7.902 1.00 63.12 O1- ATOM 990 OE2 GLU A 61 1.371 -16.870 7.684 1.00 3.14 O ATOM 0 H GLU A 61 3.805 -13.021 3.792 1.00 54.21 H new ATOM 0 HA GLU A 61 4.943 -15.355 4.960 1.00 54.40 H new ATOM 0 HB2 GLU A 61 3.097 -13.595 5.779 1.00 64.41 H new ATOM 0 HB3 GLU A 61 1.995 -14.742 5.046 1.00 64.41 H new ATOM 0 HG2 GLU A 61 3.463 -16.535 6.378 1.00 21.14 H new ATOM 0 HG3 GLU A 61 3.900 -15.152 7.361 1.00 21.14 H new ATOM 997 N TYR A 62 2.749 -15.747 2.498 1.00 60.23 N ATOM 998 CA TYR A 62 2.074 -16.790 1.736 1.00 13.04 C ATOM 999 C TYR A 62 3.043 -17.582 0.854 1.00 13.02 C ATOM 1000 O TYR A 62 4.033 -17.054 0.342 1.00 51.53 O ATOM 1001 CB TYR A 62 0.952 -16.227 0.871 1.00 44.44 C ATOM 1002 CG TYR A 62 -0.109 -15.438 1.600 1.00 71.50 C ATOM 1003 CD1 TYR A 62 -0.923 -16.091 2.539 1.00 21.24 C ATOM 1004 CD2 TYR A 62 -0.285 -14.063 1.348 1.00 33.43 C ATOM 1005 CE1 TYR A 62 -1.948 -15.400 3.198 1.00 62.34 C ATOM 1006 CE2 TYR A 62 -1.275 -13.350 2.052 1.00 41.42 C ATOM 1007 CZ TYR A 62 -2.121 -14.018 2.971 1.00 11.34 C ATOM 1008 OH TYR A 62 -3.080 -13.335 3.659 1.00 10.34 O ATOM 0 H TYR A 62 2.571 -14.790 2.193 1.00 60.23 H new ATOM 0 HA TYR A 62 1.645 -17.466 2.475 1.00 13.04 H new ATOM 0 HB2 TYR A 62 1.394 -15.586 0.108 1.00 44.44 H new ATOM 0 HB3 TYR A 62 0.469 -17.055 0.352 1.00 44.44 H new ATOM 0 HD1 TYR A 62 -0.757 -17.136 2.755 1.00 21.24 H new ATOM 0 HD2 TYR A 62 0.334 -13.560 0.621 1.00 33.43 H new ATOM 0 HE1 TYR A 62 -2.604 -15.923 3.878 1.00 62.34 H new ATOM 0 HE2 TYR A 62 -1.390 -12.288 1.890 1.00 41.42 H new ATOM 0 HH TYR A 62 -3.882 -13.247 3.102 1.00 10.34 H new ATOM 1018 N THR A 63 2.690 -18.843 0.626 1.00 43.11 N ATOM 1019 CA THR A 63 3.420 -19.798 -0.185 1.00 35.33 C ATOM 1020 C THR A 63 2.898 -19.783 -1.621 1.00 12.01 C ATOM 1021 O THR A 63 3.599 -19.333 -2.526 1.00 41.13 O ATOM 1022 CB THR A 63 3.326 -21.176 0.501 1.00 2.33 C ATOM 1023 OG1 THR A 63 1.998 -21.383 0.956 1.00 32.45 O ATOM 1024 CG2 THR A 63 4.264 -21.234 1.712 1.00 31.03 C ATOM 0 H THR A 63 1.841 -19.243 1.026 1.00 43.11 H new ATOM 0 HA THR A 63 4.475 -19.536 -0.260 1.00 35.33 H new ATOM 0 HB THR A 63 3.610 -21.943 -0.219 1.00 2.33 H new ATOM 0 HG1 THR A 63 1.934 -22.259 1.391 1.00 32.45 H new ATOM 0 HG21 THR A 63 4.186 -22.213 2.186 1.00 31.03 H new ATOM 0 HG22 THR A 63 5.291 -21.069 1.385 1.00 31.03 H new ATOM 0 HG23 THR A 63 3.983 -20.461 2.427 1.00 31.03 H new ATOM 1032 N ASN A 64 1.682 -20.297 -1.832 1.00 22.12 N ATOM 1033 CA ASN A 64 1.186 -20.622 -3.169 1.00 20.34 C ATOM 1034 C ASN A 64 1.107 -19.380 -4.066 1.00 62.22 C ATOM 1035 O ASN A 64 0.707 -18.313 -3.584 1.00 24.00 O ATOM 1036 CB ASN A 64 -0.185 -21.324 -3.089 1.00 73.21 C ATOM 1037 CG ASN A 64 -0.016 -22.792 -3.452 1.00 21.22 C ATOM 1038 OD1 ASN A 64 0.670 -23.535 -2.763 1.00 61.02 O ATOM 1039 ND2 ASN A 64 -0.587 -23.255 -4.542 1.00 53.22 N ATOM 0 H ASN A 64 1.019 -20.498 -1.084 1.00 22.12 H new ATOM 0 HA ASN A 64 1.901 -21.308 -3.623 1.00 20.34 H new ATOM 0 HB2 ASN A 64 -0.597 -21.230 -2.084 1.00 73.21 H new ATOM 0 HB3 ASN A 64 -0.891 -20.848 -3.769 1.00 73.21 H new ATOM 0 HD21 ASN A 64 -0.457 -24.230 -4.811 1.00 53.22 H new ATOM 0 HD22 ASN A 64 -1.160 -22.639 -5.119 1.00 53.22 H new ATOM 1046 N PRO A 65 1.369 -19.512 -5.384 1.00 2.25 N ATOM 1047 CA PRO A 65 1.444 -18.382 -6.306 1.00 15.53 C ATOM 1048 C PRO A 65 0.084 -17.687 -6.420 1.00 14.03 C ATOM 1049 O PRO A 65 -0.004 -16.462 -6.447 1.00 64.50 O ATOM 1050 CB PRO A 65 1.951 -18.954 -7.633 1.00 31.12 C ATOM 1051 CG PRO A 65 1.542 -20.423 -7.581 1.00 31.01 C ATOM 1052 CD PRO A 65 1.652 -20.751 -6.094 1.00 54.11 C ATOM 0 HA PRO A 65 2.125 -17.605 -5.959 1.00 15.53 H new ATOM 0 HB2 PRO A 65 1.502 -18.444 -8.485 1.00 31.12 H new ATOM 0 HB3 PRO A 65 3.031 -18.843 -7.729 1.00 31.12 H new ATOM 0 HG2 PRO A 65 0.529 -20.575 -7.955 1.00 31.01 H new ATOM 0 HG3 PRO A 65 2.201 -21.048 -8.183 1.00 31.01 H new ATOM 0 HD2 PRO A 65 0.944 -21.531 -5.814 1.00 54.11 H new ATOM 0 HD3 PRO A 65 2.648 -21.121 -5.849 1.00 54.11 H new ATOM 1060 N GLU A 66 -0.996 -18.467 -6.397 1.00 13.54 N ATOM 1061 CA GLU A 66 -2.367 -17.974 -6.371 1.00 32.01 C ATOM 1062 C GLU A 66 -2.597 -17.055 -5.177 1.00 34.31 C ATOM 1063 O GLU A 66 -3.274 -16.038 -5.299 1.00 2.21 O ATOM 1064 CB GLU A 66 -3.323 -19.170 -6.284 1.00 33.45 C ATOM 1065 CG GLU A 66 -3.240 -20.063 -7.520 1.00 24.12 C ATOM 1066 CD GLU A 66 -3.831 -19.382 -8.747 1.00 62.35 C ATOM 1067 OE1 GLU A 66 -3.084 -18.663 -9.450 1.00 0.13 O ATOM 1068 OE2 GLU A 66 -5.061 -19.537 -8.965 1.00 45.54 O1- ATOM 0 H GLU A 66 -0.937 -19.485 -6.396 1.00 13.54 H new ATOM 0 HA GLU A 66 -2.551 -17.404 -7.281 1.00 32.01 H new ATOM 0 HB2 GLU A 66 -3.088 -19.757 -5.396 1.00 33.45 H new ATOM 0 HB3 GLU A 66 -4.345 -18.809 -6.166 1.00 33.45 H new ATOM 0 HG2 GLU A 66 -2.199 -20.321 -7.713 1.00 24.12 H new ATOM 0 HG3 GLU A 66 -3.770 -20.996 -7.331 1.00 24.12 H new ATOM 1075 N GLN A 67 -2.039 -17.407 -4.020 1.00 33.41 N ATOM 1076 CA GLN A 67 -2.243 -16.677 -2.789 1.00 44.41 C ATOM 1077 C GLN A 67 -1.454 -15.377 -2.827 1.00 71.14 C ATOM 1078 O GLN A 67 -2.055 -14.312 -2.674 1.00 63.51 O ATOM 1079 CB GLN A 67 -1.855 -17.564 -1.601 1.00 53.35 C ATOM 1080 CG GLN A 67 -3.056 -17.813 -0.693 1.00 13.40 C ATOM 1081 CD GLN A 67 -2.779 -18.974 0.248 1.00 75.21 C ATOM 1082 OE1 GLN A 67 -3.324 -20.060 0.082 1.00 50.45 O ATOM 1083 NE2 GLN A 67 -1.946 -18.776 1.251 1.00 3.24 N ATOM 0 H GLN A 67 -1.427 -18.217 -3.919 1.00 33.41 H new ATOM 0 HA GLN A 67 -3.294 -16.413 -2.672 1.00 44.41 H new ATOM 0 HB2 GLN A 67 -1.465 -18.515 -1.964 1.00 53.35 H new ATOM 0 HB3 GLN A 67 -1.056 -17.088 -1.032 1.00 53.35 H new ATOM 0 HG2 GLN A 67 -3.276 -16.914 -0.117 1.00 13.40 H new ATOM 0 HG3 GLN A 67 -3.938 -18.029 -1.297 1.00 13.40 H new ATOM 0 HE21 GLN A 67 -1.502 -17.866 1.373 1.00 3.24 H new ATOM 0 HE22 GLN A 67 -1.746 -19.533 1.905 1.00 3.24 H new ATOM 1092 N ILE A 68 -0.134 -15.441 -3.048 1.00 1.22 N ATOM 1093 CA ILE A 68 0.681 -14.234 -3.142 1.00 12.50 C ATOM 1094 C ILE A 68 0.087 -13.281 -4.197 1.00 71.12 C ATOM 1095 O ILE A 68 -0.003 -12.086 -3.928 1.00 55.41 O ATOM 1096 CB ILE A 68 2.197 -14.515 -3.309 1.00 33.42 C ATOM 1097 CG1 ILE A 68 2.604 -15.415 -4.480 1.00 13.11 C ATOM 1098 CG2 ILE A 68 2.790 -15.157 -2.049 1.00 13.44 C ATOM 1099 CD1 ILE A 68 2.699 -14.684 -5.814 1.00 33.44 C ATOM 0 H ILE A 68 0.384 -16.312 -3.164 1.00 1.22 H new ATOM 0 HA ILE A 68 0.637 -13.720 -2.182 1.00 12.50 H new ATOM 0 HB ILE A 68 2.590 -13.518 -3.508 1.00 33.42 H new ATOM 0 HG12 ILE A 68 3.568 -15.871 -4.257 1.00 13.11 H new ATOM 0 HG13 ILE A 68 1.881 -16.226 -4.571 1.00 13.11 H new ATOM 0 HG21 ILE A 68 3.854 -15.340 -2.200 1.00 13.44 H new ATOM 0 HG22 ILE A 68 2.655 -14.486 -1.201 1.00 13.44 H new ATOM 0 HG23 ILE A 68 2.284 -16.101 -1.849 1.00 13.44 H new ATOM 0 HD11 ILE A 68 2.992 -15.387 -6.594 1.00 33.44 H new ATOM 0 HD12 ILE A 68 1.730 -14.251 -6.061 1.00 33.44 H new ATOM 0 HD13 ILE A 68 3.443 -13.891 -5.742 1.00 33.44 H new ATOM 1111 N LYS A 69 -0.393 -13.766 -5.355 1.00 64.12 N ATOM 1112 CA LYS A 69 -0.872 -12.884 -6.423 1.00 12.30 C ATOM 1113 C LYS A 69 -2.224 -12.272 -6.075 1.00 53.31 C ATOM 1114 O LYS A 69 -2.400 -11.069 -6.295 1.00 62.25 O ATOM 1115 CB LYS A 69 -0.852 -13.579 -7.802 1.00 34.45 C ATOM 1116 CG LYS A 69 -2.118 -14.354 -8.215 1.00 41.45 C ATOM 1117 CD LYS A 69 -1.848 -15.272 -9.410 1.00 30.22 C ATOM 1118 CE LYS A 69 -3.116 -15.554 -10.224 1.00 41.34 C ATOM 1119 NZ LYS A 69 -2.916 -16.607 -11.246 1.00 65.32 N1+ ATOM 0 H LYS A 69 -0.458 -14.761 -5.571 1.00 64.12 H new ATOM 0 HA LYS A 69 -0.172 -12.052 -6.505 1.00 12.30 H new ATOM 0 HB2 LYS A 69 -0.657 -12.821 -8.560 1.00 34.45 H new ATOM 0 HB3 LYS A 69 -0.010 -14.271 -7.820 1.00 34.45 H new ATOM 0 HG2 LYS A 69 -2.474 -14.947 -7.372 1.00 41.45 H new ATOM 0 HG3 LYS A 69 -2.911 -13.650 -8.467 1.00 41.45 H new ATOM 0 HD2 LYS A 69 -1.099 -14.814 -10.056 1.00 30.22 H new ATOM 0 HD3 LYS A 69 -1.430 -16.214 -9.055 1.00 30.22 H new ATOM 0 HE2 LYS A 69 -3.917 -15.856 -9.549 1.00 41.34 H new ATOM 0 HE3 LYS A 69 -3.441 -14.636 -10.713 1.00 41.34 H new ATOM 0 HZ1 LYS A 69 -3.719 -16.607 -11.906 1.00 65.32 H new ATOM 0 HZ2 LYS A 69 -2.037 -16.420 -11.770 1.00 65.32 H new ATOM 0 HZ3 LYS A 69 -2.851 -17.535 -10.780 1.00 65.32 H new ATOM 1133 N GLN A 70 -3.162 -13.071 -5.555 1.00 15.42 N ATOM 1134 CA GLN A 70 -4.481 -12.604 -5.156 1.00 72.22 C ATOM 1135 C GLN A 70 -4.313 -11.534 -4.089 1.00 73.44 C ATOM 1136 O GLN A 70 -4.819 -10.426 -4.236 1.00 2.02 O ATOM 1137 CB GLN A 70 -5.338 -13.762 -4.656 1.00 55.12 C ATOM 1138 CG GLN A 70 -6.829 -13.396 -4.690 1.00 63.14 C ATOM 1139 CD GLN A 70 -7.579 -14.183 -3.637 1.00 25.15 C ATOM 1140 OE1 GLN A 70 -7.309 -13.874 -2.382 1.00 54.22 O flip ATOM 1141 NE2 GLN A 70 -8.368 -15.078 -3.915 1.00 61.54 N flip ATOM 0 H GLN A 70 -3.019 -14.069 -5.400 1.00 15.42 H new ATOM 0 HA GLN A 70 -4.998 -12.176 -6.015 1.00 72.22 H new ATOM 0 HB2 GLN A 70 -5.162 -14.643 -5.273 1.00 55.12 H new ATOM 0 HB3 GLN A 70 -5.047 -14.022 -3.638 1.00 55.12 H new ATOM 0 HG2 GLN A 70 -6.954 -12.327 -4.515 1.00 63.14 H new ATOM 0 HG3 GLN A 70 -7.242 -13.608 -5.677 1.00 63.14 H new ATOM 0 HE21 GLN A 70 -8.563 -15.301 -4.891 1.00 61.54 H new ATOM 0 HE22 GLN A 70 -8.830 -15.600 -3.170 1.00 61.54 H new ATOM 1150 N TRP A 71 -3.599 -11.841 -3.004 1.00 63.41 N ATOM 1151 CA TRP A 71 -3.449 -10.913 -1.897 1.00 1.41 C ATOM 1152 C TRP A 71 -2.649 -9.673 -2.292 1.00 43.13 C ATOM 1153 O TRP A 71 -3.015 -8.579 -1.865 1.00 3.23 O ATOM 1154 CB TRP A 71 -2.852 -11.624 -0.691 1.00 34.40 C ATOM 1155 CG TRP A 71 -3.804 -12.562 -0.045 1.00 43.52 C ATOM 1156 CD1 TRP A 71 -3.706 -13.903 0.038 1.00 51.30 C ATOM 1157 CD2 TRP A 71 -4.980 -12.186 0.713 1.00 15.24 C ATOM 1158 NE1 TRP A 71 -4.814 -14.391 0.704 1.00 63.04 N ATOM 1159 CE2 TRP A 71 -5.618 -13.370 1.171 1.00 61.24 C ATOM 1160 CE3 TRP A 71 -5.542 -10.945 1.072 1.00 64.35 C ATOM 1161 CZ2 TRP A 71 -6.790 -13.319 1.940 1.00 11.21 C ATOM 1162 CZ3 TRP A 71 -6.710 -10.883 1.844 1.00 70.25 C ATOM 1163 CH2 TRP A 71 -7.322 -12.067 2.287 1.00 10.30 C ATOM 0 H TRP A 71 -3.116 -12.730 -2.875 1.00 63.41 H new ATOM 0 HA TRP A 71 -4.440 -10.554 -1.619 1.00 1.41 H new ATOM 0 HB2 TRP A 71 -1.963 -12.173 -1.002 1.00 34.40 H new ATOM 0 HB3 TRP A 71 -2.529 -10.882 0.039 1.00 34.40 H new ATOM 0 HD1 TRP A 71 -2.894 -14.499 -0.352 1.00 51.30 H new ATOM 0 HE1 TRP A 71 -5.013 -15.383 0.835 1.00 63.04 H new ATOM 0 HE3 TRP A 71 -5.067 -10.031 0.748 1.00 64.35 H new ATOM 0 HZ2 TRP A 71 -7.276 -14.229 2.260 1.00 11.21 H new ATOM 0 HZ3 TRP A 71 -7.139 -9.925 2.098 1.00 70.25 H new ATOM 0 HH2 TRP A 71 -8.210 -12.014 2.900 1.00 10.30 H new ATOM 1174 N ARG A 72 -1.637 -9.798 -3.168 1.00 1.43 N ATOM 1175 CA ARG A 72 -0.879 -8.632 -3.645 1.00 44.24 C ATOM 1176 C ARG A 72 -1.839 -7.606 -4.259 1.00 25.40 C ATOM 1177 O ARG A 72 -1.757 -6.422 -3.932 1.00 72.43 O ATOM 1178 CB ARG A 72 0.258 -9.030 -4.612 1.00 20.22 C ATOM 1179 CG ARG A 72 1.541 -9.377 -3.840 1.00 24.51 C ATOM 1180 CD ARG A 72 2.635 -10.107 -4.623 1.00 4.10 C ATOM 1181 NE ARG A 72 3.819 -10.363 -3.774 1.00 14.41 N ATOM 1182 CZ ARG A 72 4.968 -9.668 -3.739 1.00 35.32 C ATOM 1183 NH1 ARG A 72 5.151 -8.593 -4.491 1.00 54.04 N1+ ATOM 1184 NH2 ARG A 72 5.942 -10.056 -2.926 1.00 74.24 N ATOM 0 H ARG A 72 -1.328 -10.689 -3.557 1.00 1.43 H new ATOM 0 HA ARG A 72 -0.386 -8.168 -2.791 1.00 44.24 H new ATOM 0 HB2 ARG A 72 -0.053 -9.886 -5.212 1.00 20.22 H new ATOM 0 HB3 ARG A 72 0.456 -8.211 -5.304 1.00 20.22 H new ATOM 0 HG2 ARG A 72 1.963 -8.452 -3.447 1.00 24.51 H new ATOM 0 HG3 ARG A 72 1.267 -9.992 -2.983 1.00 24.51 H new ATOM 0 HD2 ARG A 72 2.245 -11.051 -5.003 1.00 4.10 H new ATOM 0 HD3 ARG A 72 2.926 -9.511 -5.488 1.00 4.10 H new ATOM 0 HE ARG A 72 3.756 -11.160 -3.141 1.00 14.41 H new ATOM 0 HH11 ARG A 72 4.410 -8.275 -5.115 1.00 54.04 H new ATOM 0 HH12 ARG A 72 6.033 -8.083 -4.446 1.00 54.04 H new ATOM 0 HH21 ARG A 72 5.815 -10.877 -2.334 1.00 74.24 H new ATOM 0 HH22 ARG A 72 6.818 -9.534 -2.893 1.00 74.24 H new ATOM 1198 N LYS A 73 -2.792 -8.064 -5.083 1.00 64.24 N ATOM 1199 CA LYS A 73 -3.882 -7.259 -5.618 1.00 2.53 C ATOM 1200 C LYS A 73 -4.821 -6.812 -4.499 1.00 1.23 C ATOM 1201 O LYS A 73 -5.076 -5.616 -4.416 1.00 55.21 O ATOM 1202 CB LYS A 73 -4.662 -8.041 -6.695 1.00 34.23 C ATOM 1203 CG LYS A 73 -4.518 -7.396 -8.082 1.00 63.11 C ATOM 1204 CD LYS A 73 -5.283 -8.231 -9.116 1.00 42.23 C ATOM 1205 CE LYS A 73 -5.097 -7.729 -10.550 1.00 22.32 C ATOM 1206 NZ LYS A 73 -5.838 -6.486 -10.840 1.00 41.12 N1+ ATOM 0 H LYS A 73 -2.820 -9.033 -5.400 1.00 64.24 H new ATOM 0 HA LYS A 73 -3.452 -6.372 -6.083 1.00 2.53 H new ATOM 0 HB2 LYS A 73 -4.300 -9.068 -6.732 1.00 34.23 H new ATOM 0 HB3 LYS A 73 -5.716 -8.084 -6.421 1.00 34.23 H new ATOM 0 HG2 LYS A 73 -4.905 -6.377 -8.063 1.00 63.11 H new ATOM 0 HG3 LYS A 73 -3.465 -7.332 -8.357 1.00 63.11 H new ATOM 0 HD2 LYS A 73 -4.951 -9.267 -9.054 1.00 42.23 H new ATOM 0 HD3 LYS A 73 -6.345 -8.221 -8.869 1.00 42.23 H new ATOM 0 HE2 LYS A 73 -4.036 -7.561 -10.733 1.00 22.32 H new ATOM 0 HE3 LYS A 73 -5.421 -8.506 -11.243 1.00 22.32 H new ATOM 0 HZ1 LYS A 73 -5.668 -6.203 -11.826 1.00 41.12 H new ATOM 0 HZ2 LYS A 73 -6.855 -6.647 -10.696 1.00 41.12 H new ATOM 0 HZ3 LYS A 73 -5.513 -5.731 -10.202 1.00 41.12 H new ATOM 1220 N ASN A 74 -5.336 -7.728 -3.669 1.00 53.23 N ATOM 1221 CA ASN A 74 -6.367 -7.449 -2.674 1.00 31.13 C ATOM 1222 C ASN A 74 -5.971 -6.243 -1.836 1.00 50.53 C ATOM 1223 O ASN A 74 -6.772 -5.326 -1.686 1.00 74.44 O ATOM 1224 CB ASN A 74 -6.605 -8.631 -1.715 1.00 21.11 C ATOM 1225 CG ASN A 74 -7.325 -9.839 -2.301 1.00 15.34 C ATOM 1226 OD1 ASN A 74 -8.000 -9.764 -3.321 1.00 63.22 O ATOM 1227 ND2 ASN A 74 -7.233 -10.990 -1.657 1.00 4.44 N ATOM 0 H ASN A 74 -5.038 -8.703 -3.675 1.00 53.23 H new ATOM 0 HA ASN A 74 -7.286 -7.262 -3.230 1.00 31.13 H new ATOM 0 HB2 ASN A 74 -5.639 -8.961 -1.332 1.00 21.11 H new ATOM 0 HB3 ASN A 74 -7.180 -8.270 -0.862 1.00 21.11 H new ATOM 0 HD21 ASN A 74 -7.723 -11.812 -2.009 1.00 4.44 H new ATOM 0 HD22 ASN A 74 -6.672 -11.056 -0.808 1.00 4.44 H new ATOM 1234 N LEU A 75 -4.752 -6.243 -1.286 1.00 65.10 N ATOM 1235 CA LEU A 75 -4.276 -5.146 -0.455 1.00 4.53 C ATOM 1236 C LEU A 75 -4.207 -3.841 -1.255 1.00 24.52 C ATOM 1237 O LEU A 75 -4.723 -2.830 -0.783 1.00 41.55 O ATOM 1238 CB LEU A 75 -2.928 -5.494 0.205 1.00 10.04 C ATOM 1239 CG LEU A 75 -3.010 -6.229 1.563 1.00 13.31 C ATOM 1240 CD1 LEU A 75 -3.767 -5.414 2.622 1.00 32.35 C ATOM 1241 CD2 LEU A 75 -3.645 -7.619 1.456 1.00 54.21 C ATOM 0 H LEU A 75 -4.077 -6.999 -1.406 1.00 65.10 H new ATOM 0 HA LEU A 75 -4.995 -4.992 0.350 1.00 4.53 H new ATOM 0 HB2 LEU A 75 -2.356 -6.112 -0.487 1.00 10.04 H new ATOM 0 HB3 LEU A 75 -2.366 -4.571 0.347 1.00 10.04 H new ATOM 0 HG LEU A 75 -1.973 -6.349 1.877 1.00 13.31 H new ATOM 0 HD11 LEU A 75 -3.798 -5.972 3.558 1.00 32.35 H new ATOM 0 HD12 LEU A 75 -3.257 -4.464 2.783 1.00 32.35 H new ATOM 0 HD13 LEU A 75 -4.784 -5.226 2.278 1.00 32.35 H new ATOM 0 HD21 LEU A 75 -3.674 -8.083 2.442 1.00 54.21 H new ATOM 0 HD22 LEU A 75 -4.660 -7.527 1.069 1.00 54.21 H new ATOM 0 HD23 LEU A 75 -3.054 -8.238 0.781 1.00 54.21 H new ATOM 1253 N TRP A 76 -3.624 -3.848 -2.460 1.00 13.51 N ATOM 1254 CA TRP A 76 -3.583 -2.659 -3.298 1.00 2.42 C ATOM 1255 C TRP A 76 -4.986 -2.109 -3.610 1.00 30.11 C ATOM 1256 O TRP A 76 -5.162 -0.894 -3.591 1.00 22.05 O ATOM 1257 CB TRP A 76 -2.757 -2.949 -4.566 1.00 34.53 C ATOM 1258 CG TRP A 76 -1.264 -2.840 -4.404 1.00 52.32 C ATOM 1259 CD1 TRP A 76 -0.358 -3.779 -4.757 1.00 3.24 C ATOM 1260 CD2 TRP A 76 -0.472 -1.735 -3.859 1.00 74.43 C ATOM 1261 NE1 TRP A 76 0.910 -3.375 -4.394 1.00 61.30 N ATOM 1262 CE2 TRP A 76 0.896 -2.132 -3.810 1.00 73.42 C ATOM 1263 CE3 TRP A 76 -0.771 -0.447 -3.368 1.00 24.41 C ATOM 1264 CZ2 TRP A 76 1.900 -1.331 -3.248 1.00 54.25 C ATOM 1265 CZ3 TRP A 76 0.239 0.402 -2.858 1.00 54.41 C ATOM 1266 CH2 TRP A 76 1.563 -0.056 -2.777 1.00 33.11 C ATOM 0 H TRP A 76 -3.176 -4.667 -2.870 1.00 13.51 H new ATOM 0 HA TRP A 76 -3.086 -1.862 -2.745 1.00 2.42 H new ATOM 0 HB2 TRP A 76 -2.995 -3.955 -4.912 1.00 34.53 H new ATOM 0 HB3 TRP A 76 -3.072 -2.260 -5.349 1.00 34.53 H new ATOM 0 HD1 TRP A 76 -0.593 -4.710 -5.251 1.00 3.24 H new ATOM 0 HE1 TRP A 76 1.753 -3.930 -4.541 1.00 61.30 H new ATOM 0 HE3 TRP A 76 -1.794 -0.101 -3.382 1.00 24.41 H new ATOM 0 HZ2 TRP A 76 2.916 -1.691 -3.179 1.00 54.25 H new ATOM 0 HZ3 TRP A 76 -0.008 1.401 -2.531 1.00 54.41 H new ATOM 0 HH2 TRP A 76 2.326 0.578 -2.349 1.00 33.11 H new ATOM 1277 N ILE A 77 -5.977 -2.965 -3.873 1.00 1.43 N ATOM 1278 CA ILE A 77 -7.357 -2.572 -4.184 1.00 32.02 C ATOM 1279 C ILE A 77 -8.031 -2.018 -2.927 1.00 35.11 C ATOM 1280 O ILE A 77 -8.802 -1.059 -3.004 1.00 41.01 O ATOM 1281 CB ILE A 77 -8.117 -3.783 -4.779 1.00 24.14 C ATOM 1282 CG1 ILE A 77 -7.458 -4.190 -6.119 1.00 65.31 C ATOM 1283 CG2 ILE A 77 -9.608 -3.480 -5.013 1.00 5.42 C ATOM 1284 CD1 ILE A 77 -7.826 -5.599 -6.595 1.00 32.44 C ATOM 0 H ILE A 77 -5.840 -3.976 -3.876 1.00 1.43 H new ATOM 0 HA ILE A 77 -7.367 -1.779 -4.932 1.00 32.02 H new ATOM 0 HB ILE A 77 -8.058 -4.598 -4.058 1.00 24.14 H new ATOM 0 HG12 ILE A 77 -7.747 -3.472 -6.886 1.00 65.31 H new ATOM 0 HG13 ILE A 77 -6.375 -4.125 -6.013 1.00 65.31 H new ATOM 0 HG21 ILE A 77 -10.097 -4.360 -5.431 1.00 5.42 H new ATOM 0 HG22 ILE A 77 -10.079 -3.219 -4.065 1.00 5.42 H new ATOM 0 HG23 ILE A 77 -9.705 -2.646 -5.709 1.00 5.42 H new ATOM 0 HD11 ILE A 77 -7.324 -5.807 -7.540 1.00 32.44 H new ATOM 0 HD12 ILE A 77 -7.512 -6.329 -5.849 1.00 32.44 H new ATOM 0 HD13 ILE A 77 -8.905 -5.665 -6.736 1.00 32.44 H new ATOM 1296 N PHE A 78 -7.725 -2.609 -1.773 1.00 63.05 N ATOM 1297 CA PHE A 78 -8.198 -2.139 -0.483 1.00 71.52 C ATOM 1298 C PHE A 78 -7.696 -0.716 -0.227 1.00 63.24 C ATOM 1299 O PHE A 78 -8.502 0.138 0.117 1.00 12.03 O ATOM 1300 CB PHE A 78 -7.791 -3.110 0.637 1.00 45.03 C ATOM 1301 CG PHE A 78 -8.290 -2.674 1.999 1.00 51.35 C ATOM 1302 CD1 PHE A 78 -9.648 -2.834 2.326 1.00 11.10 C ATOM 1303 CD2 PHE A 78 -7.412 -2.103 2.937 1.00 64.41 C ATOM 1304 CE1 PHE A 78 -10.146 -2.374 3.558 1.00 12.10 C ATOM 1305 CE2 PHE A 78 -7.910 -1.639 4.166 1.00 14.45 C ATOM 1306 CZ PHE A 78 -9.274 -1.763 4.474 1.00 25.55 C ATOM 0 H PHE A 78 -7.134 -3.438 -1.713 1.00 63.05 H new ATOM 0 HA PHE A 78 -9.288 -2.109 -0.492 1.00 71.52 H new ATOM 0 HB2 PHE A 78 -8.182 -4.102 0.412 1.00 45.03 H new ATOM 0 HB3 PHE A 78 -6.705 -3.194 0.662 1.00 45.03 H new ATOM 0 HD1 PHE A 78 -10.314 -3.314 1.625 1.00 11.10 H new ATOM 0 HD2 PHE A 78 -6.359 -2.021 2.714 1.00 64.41 H new ATOM 0 HE1 PHE A 78 -11.193 -2.490 3.798 1.00 12.10 H new ATOM 0 HE2 PHE A 78 -7.239 -1.184 4.879 1.00 14.45 H new ATOM 0 HZ PHE A 78 -9.652 -1.389 5.414 1.00 25.55 H new ATOM 1316 N VAL A 79 -6.403 -0.436 -0.407 1.00 42.13 N ATOM 1317 CA VAL A 79 -5.841 0.903 -0.204 1.00 72.11 C ATOM 1318 C VAL A 79 -6.443 1.884 -1.201 1.00 63.14 C ATOM 1319 O VAL A 79 -6.723 3.010 -0.804 1.00 61.34 O ATOM 1320 CB VAL A 79 -4.302 0.885 -0.270 1.00 54.40 C ATOM 1321 CG1 VAL A 79 -3.686 2.275 -0.056 1.00 35.12 C ATOM 1322 CG2 VAL A 79 -3.727 -0.014 0.829 1.00 22.13 C ATOM 0 H VAL A 79 -5.715 -1.131 -0.698 1.00 42.13 H new ATOM 0 HA VAL A 79 -6.105 1.240 0.798 1.00 72.11 H new ATOM 0 HB VAL A 79 -4.056 0.519 -1.267 1.00 54.40 H new ATOM 0 HG11 VAL A 79 -2.600 2.204 -0.113 1.00 35.12 H new ATOM 0 HG12 VAL A 79 -4.046 2.955 -0.828 1.00 35.12 H new ATOM 0 HG13 VAL A 79 -3.974 2.654 0.925 1.00 35.12 H new ATOM 0 HG21 VAL A 79 -2.639 -0.014 0.767 1.00 22.13 H new ATOM 0 HG22 VAL A 79 -4.034 0.362 1.805 1.00 22.13 H new ATOM 0 HG23 VAL A 79 -4.098 -1.031 0.699 1.00 22.13 H new ATOM 1332 N SER A 80 -6.720 1.449 -2.432 1.00 34.12 N ATOM 1333 CA SER A 80 -7.348 2.265 -3.468 1.00 61.41 C ATOM 1334 C SER A 80 -8.608 2.984 -2.966 1.00 21.53 C ATOM 1335 O SER A 80 -8.885 4.084 -3.429 1.00 43.34 O ATOM 1336 CB SER A 80 -7.688 1.368 -4.665 1.00 54.34 C ATOM 1337 OG SER A 80 -7.679 2.009 -5.924 1.00 43.03 O ATOM 0 H SER A 80 -6.509 0.500 -2.741 1.00 34.12 H new ATOM 0 HA SER A 80 -6.643 3.042 -3.763 1.00 61.41 H new ATOM 0 HB2 SER A 80 -6.978 0.542 -4.692 1.00 54.34 H new ATOM 0 HB3 SER A 80 -8.675 0.935 -4.504 1.00 54.34 H new ATOM 0 HG SER A 80 -7.905 1.360 -6.623 1.00 43.03 H new ATOM 1343 N LYS A 81 -9.388 2.398 -2.041 1.00 14.35 N ATOM 1344 CA LYS A 81 -10.608 3.052 -1.554 1.00 53.15 C ATOM 1345 C LYS A 81 -10.318 4.121 -0.488 1.00 44.31 C ATOM 1346 O LYS A 81 -11.195 4.918 -0.171 1.00 0.54 O ATOM 1347 CB LYS A 81 -11.630 1.993 -1.104 1.00 41.41 C ATOM 1348 CG LYS A 81 -11.441 1.510 0.341 1.00 35.41 C ATOM 1349 CD LYS A 81 -11.933 0.080 0.614 1.00 70.23 C ATOM 1350 CE LYS A 81 -13.416 -0.008 0.996 1.00 21.01 C ATOM 1351 NZ LYS A 81 -14.339 0.159 -0.140 1.00 70.41 N1+ ATOM 0 H LYS A 81 -9.197 1.487 -1.623 1.00 14.35 H new ATOM 0 HA LYS A 81 -11.057 3.605 -2.379 1.00 53.15 H new ATOM 0 HB2 LYS A 81 -12.634 2.405 -1.209 1.00 41.41 H new ATOM 0 HB3 LYS A 81 -11.566 1.135 -1.773 1.00 41.41 H new ATOM 0 HG2 LYS A 81 -10.382 1.569 0.593 1.00 35.41 H new ATOM 0 HG3 LYS A 81 -11.966 2.193 1.009 1.00 35.41 H new ATOM 0 HD2 LYS A 81 -11.761 -0.528 -0.274 1.00 70.23 H new ATOM 0 HD3 LYS A 81 -11.335 -0.352 1.417 1.00 70.23 H new ATOM 0 HE2 LYS A 81 -13.603 -0.975 1.464 1.00 21.01 H new ATOM 0 HE3 LYS A 81 -13.634 0.755 1.743 1.00 21.01 H new ATOM 0 HZ1 LYS A 81 -15.318 0.037 0.188 1.00 70.41 H new ATOM 0 HZ2 LYS A 81 -14.225 1.111 -0.543 1.00 70.41 H new ATOM 0 HZ3 LYS A 81 -14.126 -0.553 -0.868 1.00 70.41 H new ATOM 1365 N PHE A 82 -9.117 4.138 0.091 1.00 71.53 N ATOM 1366 CA PHE A 82 -8.595 5.167 0.988 1.00 3.11 C ATOM 1367 C PHE A 82 -7.649 6.135 0.276 1.00 61.04 C ATOM 1368 O PHE A 82 -6.812 6.734 0.944 1.00 45.15 O ATOM 1369 CB PHE A 82 -7.844 4.524 2.163 1.00 72.45 C ATOM 1370 CG PHE A 82 -8.687 3.667 3.063 1.00 40.53 C ATOM 1371 CD1 PHE A 82 -8.955 2.344 2.694 1.00 61.03 C ATOM 1372 CD2 PHE A 82 -9.163 4.169 4.286 1.00 43.53 C ATOM 1373 CE1 PHE A 82 -9.758 1.537 3.503 1.00 43.31 C ATOM 1374 CE2 PHE A 82 -9.916 3.340 5.131 1.00 11.10 C ATOM 1375 CZ PHE A 82 -10.251 2.033 4.724 1.00 61.24 C ATOM 0 H PHE A 82 -8.443 3.388 -0.064 1.00 71.53 H new ATOM 0 HA PHE A 82 -9.456 5.729 1.349 1.00 3.11 H new ATOM 0 HB2 PHE A 82 -7.030 3.917 1.766 1.00 72.45 H new ATOM 0 HB3 PHE A 82 -7.390 5.314 2.760 1.00 72.45 H new ATOM 0 HD1 PHE A 82 -8.539 1.946 1.780 1.00 61.03 H new ATOM 0 HD2 PHE A 82 -8.950 5.188 4.574 1.00 43.53 H new ATOM 0 HE1 PHE A 82 -10.001 0.532 3.191 1.00 43.31 H new ATOM 0 HE2 PHE A 82 -10.239 3.704 6.095 1.00 11.10 H new ATOM 0 HZ PHE A 82 -10.882 1.416 5.346 1.00 61.24 H new ATOM 1385 N THR A 83 -7.709 6.301 -1.042 1.00 61.12 N ATOM 1386 CA THR A 83 -6.973 7.384 -1.676 1.00 12.22 C ATOM 1387 C THR A 83 -7.648 7.721 -3.009 1.00 51.24 C ATOM 1388 O THR A 83 -8.698 7.167 -3.338 1.00 21.11 O ATOM 1389 CB THR A 83 -5.473 7.013 -1.765 1.00 21.14 C ATOM 1390 OG1 THR A 83 -4.716 8.135 -2.172 1.00 14.11 O ATOM 1391 CG2 THR A 83 -5.181 5.798 -2.651 1.00 21.44 C ATOM 0 H THR A 83 -8.248 5.713 -1.678 1.00 61.12 H new ATOM 0 HA THR A 83 -7.000 8.300 -1.086 1.00 12.22 H new ATOM 0 HB THR A 83 -5.171 6.715 -0.761 1.00 21.14 H new ATOM 0 HG1 THR A 83 -4.683 8.789 -1.443 1.00 14.11 H new ATOM 0 HG21 THR A 83 -4.108 5.604 -2.661 1.00 21.44 H new ATOM 0 HG22 THR A 83 -5.704 4.926 -2.257 1.00 21.44 H new ATOM 0 HG23 THR A 83 -5.523 5.998 -3.667 1.00 21.44 H new ATOM 1399 N GLU A 84 -7.064 8.638 -3.781 1.00 33.14 N ATOM 1400 CA GLU A 84 -7.498 8.906 -5.146 1.00 74.01 C ATOM 1401 C GLU A 84 -6.658 8.143 -6.180 1.00 43.32 C ATOM 1402 O GLU A 84 -7.069 8.059 -7.338 1.00 63.43 O ATOM 1403 CB GLU A 84 -7.652 10.398 -5.441 1.00 14.25 C ATOM 1404 CG GLU A 84 -6.317 11.101 -5.308 1.00 22.52 C ATOM 1405 CD GLU A 84 -6.274 12.334 -6.211 1.00 53.53 C ATOM 1406 OE1 GLU A 84 -6.958 13.339 -5.895 1.00 3.33 O ATOM 1407 OE2 GLU A 84 -5.685 12.229 -7.309 1.00 15.35 O1- ATOM 0 H GLU A 84 -6.279 9.213 -3.476 1.00 33.14 H new ATOM 0 HA GLU A 84 -8.507 8.506 -5.241 1.00 74.01 H new ATOM 0 HB2 GLU A 84 -8.045 10.538 -6.448 1.00 14.25 H new ATOM 0 HB3 GLU A 84 -8.373 10.839 -4.753 1.00 14.25 H new ATOM 0 HG2 GLU A 84 -6.155 11.395 -4.271 1.00 22.52 H new ATOM 0 HG3 GLU A 84 -5.511 10.418 -5.575 1.00 22.52 H new ATOM 1414 N PHE A 85 -5.510 7.578 -5.802 1.00 73.53 N ATOM 1415 CA PHE A 85 -4.661 6.797 -6.693 1.00 60.43 C ATOM 1416 C PHE A 85 -5.164 5.348 -6.747 1.00 31.05 C ATOM 1417 O PHE A 85 -5.157 4.636 -5.744 1.00 71.34 O ATOM 1418 CB PHE A 85 -3.205 6.837 -6.195 1.00 20.01 C ATOM 1419 CG PHE A 85 -2.474 8.170 -6.316 1.00 53.30 C ATOM 1420 CD1 PHE A 85 -2.593 8.966 -7.475 1.00 44.43 C ATOM 1421 CD2 PHE A 85 -1.633 8.605 -5.272 1.00 1.42 C ATOM 1422 CE1 PHE A 85 -1.898 10.184 -7.579 1.00 63.20 C ATOM 1423 CE2 PHE A 85 -0.912 9.807 -5.389 1.00 70.20 C ATOM 1424 CZ PHE A 85 -1.044 10.599 -6.543 1.00 71.12 C ATOM 0 H PHE A 85 -5.142 7.653 -4.854 1.00 73.53 H new ATOM 0 HA PHE A 85 -4.701 7.223 -7.695 1.00 60.43 H new ATOM 0 HB2 PHE A 85 -3.196 6.538 -5.147 1.00 20.01 H new ATOM 0 HB3 PHE A 85 -2.637 6.087 -6.745 1.00 20.01 H new ATOM 0 HD1 PHE A 85 -3.223 8.637 -8.288 1.00 44.43 H new ATOM 0 HD2 PHE A 85 -1.541 8.011 -4.375 1.00 1.42 H new ATOM 0 HE1 PHE A 85 -2.021 10.802 -8.456 1.00 63.20 H new ATOM 0 HE2 PHE A 85 -0.256 10.122 -4.591 1.00 70.20 H new ATOM 0 HZ PHE A 85 -0.491 11.523 -6.633 1.00 71.12 H new ATOM 1434 N ASP A 86 -5.554 4.911 -7.948 1.00 63.21 N ATOM 1435 CA ASP A 86 -5.874 3.520 -8.280 1.00 42.44 C ATOM 1436 C ASP A 86 -4.805 2.565 -7.765 1.00 50.23 C ATOM 1437 O ASP A 86 -3.616 2.887 -7.720 1.00 3.02 O ATOM 1438 CB ASP A 86 -5.960 3.315 -9.798 1.00 35.42 C ATOM 1439 CG ASP A 86 -6.722 2.076 -10.271 1.00 61.50 C ATOM 1440 OD1 ASP A 86 -6.136 0.965 -10.247 1.00 23.14 O1- ATOM 1441 OD2 ASP A 86 -7.843 2.221 -10.800 1.00 54.44 O ATOM 0 H ASP A 86 -5.659 5.539 -8.745 1.00 63.21 H new ATOM 0 HA ASP A 86 -6.834 3.310 -7.808 1.00 42.44 H new ATOM 0 HB2 ASP A 86 -6.431 4.195 -10.236 1.00 35.42 H new ATOM 0 HB3 ASP A 86 -4.946 3.266 -10.195 1.00 35.42 H new ATOM 1446 N ALA A 87 -5.209 1.322 -7.557 1.00 34.50 N ATOM 1447 CA ALA A 87 -4.338 0.215 -7.185 1.00 54.34 C ATOM 1448 C ALA A 87 -3.176 0.076 -8.173 1.00 42.15 C ATOM 1449 O ALA A 87 -2.075 -0.314 -7.778 1.00 54.10 O ATOM 1450 CB ALA A 87 -5.158 -1.079 -7.139 1.00 13.05 C ATOM 0 H ALA A 87 -6.187 1.045 -7.645 1.00 34.50 H new ATOM 0 HA ALA A 87 -3.915 0.413 -6.200 1.00 54.34 H new ATOM 0 HB1 ALA A 87 -4.510 -1.910 -6.861 1.00 13.05 H new ATOM 0 HB2 ALA A 87 -5.956 -0.978 -6.403 1.00 13.05 H new ATOM 0 HB3 ALA A 87 -5.592 -1.270 -8.120 1.00 13.05 H new ATOM 1456 N ARG A 88 -3.424 0.344 -9.462 1.00 54.42 N ATOM 1457 CA ARG A 88 -2.421 0.361 -10.521 1.00 71.23 C ATOM 1458 C ARG A 88 -1.371 1.446 -10.261 1.00 35.22 C ATOM 1459 O ARG A 88 -0.188 1.115 -10.135 1.00 74.21 O ATOM 1460 CB ARG A 88 -3.138 0.502 -11.879 1.00 33.21 C ATOM 1461 CG ARG A 88 -2.198 0.603 -13.091 1.00 42.33 C ATOM 1462 CD ARG A 88 -2.986 0.684 -14.412 1.00 12.42 C ATOM 1463 NE ARG A 88 -3.327 -0.641 -14.974 1.00 52.53 N ATOM 1464 CZ ARG A 88 -4.495 -0.990 -15.535 1.00 51.53 C ATOM 1465 NH1 ARG A 88 -5.624 -0.354 -15.257 1.00 3.04 N1+ ATOM 1466 NH2 ARG A 88 -4.529 -2.018 -16.373 1.00 13.42 N ATOM 0 H ARG A 88 -4.361 0.561 -9.802 1.00 54.42 H new ATOM 0 HA ARG A 88 -1.865 -0.576 -10.539 1.00 71.23 H new ATOM 0 HB2 ARG A 88 -3.797 -0.355 -12.018 1.00 33.21 H new ATOM 0 HB3 ARG A 88 -3.770 1.390 -11.851 1.00 33.21 H new ATOM 0 HG2 ARG A 88 -1.565 1.484 -12.989 1.00 42.33 H new ATOM 0 HG3 ARG A 88 -1.537 -0.263 -13.113 1.00 42.33 H new ATOM 0 HD2 ARG A 88 -3.904 1.247 -14.245 1.00 12.42 H new ATOM 0 HD3 ARG A 88 -2.399 1.241 -15.143 1.00 12.42 H new ATOM 0 HE ARG A 88 -2.604 -1.359 -14.931 1.00 52.53 H new ATOM 0 HH11 ARG A 88 -5.622 0.426 -14.599 1.00 3.04 H new ATOM 0 HH12 ARG A 88 -6.495 -0.644 -15.701 1.00 3.04 H new ATOM 0 HH21 ARG A 88 -3.674 -2.533 -16.584 1.00 13.42 H new ATOM 0 HH22 ARG A 88 -5.410 -2.294 -16.806 1.00 13.42 H new ATOM 1480 N LYS A 89 -1.761 2.729 -10.248 1.00 15.10 N ATOM 1481 CA LYS A 89 -0.785 3.813 -10.140 1.00 14.14 C ATOM 1482 C LYS A 89 -0.071 3.802 -8.784 1.00 2.34 C ATOM 1483 O LYS A 89 1.136 4.042 -8.772 1.00 51.34 O ATOM 1484 CB LYS A 89 -1.376 5.195 -10.503 1.00 41.42 C ATOM 1485 CG LYS A 89 -2.747 5.539 -9.908 1.00 43.13 C ATOM 1486 CD LYS A 89 -3.921 5.628 -10.898 1.00 64.32 C ATOM 1487 CE LYS A 89 -3.969 4.690 -12.119 1.00 13.54 C ATOM 1488 NZ LYS A 89 -3.805 5.424 -13.387 1.00 75.22 N1+ ATOM 0 H LYS A 89 -2.732 3.035 -10.310 1.00 15.10 H new ATOM 0 HA LYS A 89 -0.021 3.623 -10.894 1.00 14.14 H new ATOM 0 HB2 LYS A 89 -0.667 5.961 -10.188 1.00 41.42 H new ATOM 0 HB3 LYS A 89 -1.451 5.258 -11.589 1.00 41.42 H new ATOM 0 HG2 LYS A 89 -2.991 4.789 -9.156 1.00 43.13 H new ATOM 0 HG3 LYS A 89 -2.664 6.494 -9.390 1.00 43.13 H new ATOM 0 HD2 LYS A 89 -4.837 5.468 -10.330 1.00 64.32 H new ATOM 0 HD3 LYS A 89 -3.952 6.651 -11.273 1.00 64.32 H new ATOM 0 HE2 LYS A 89 -3.184 3.939 -12.031 1.00 13.54 H new ATOM 0 HE3 LYS A 89 -4.920 4.157 -12.129 1.00 13.54 H new ATOM 0 HZ1 LYS A 89 -3.843 4.755 -14.183 1.00 75.22 H new ATOM 0 HZ2 LYS A 89 -4.569 6.123 -13.485 1.00 75.22 H new ATOM 0 HZ3 LYS A 89 -2.887 5.912 -13.389 1.00 75.22 H new ATOM 1502 N LEU A 90 -0.752 3.477 -7.677 1.00 2.34 N ATOM 1503 CA LEU A 90 -0.170 3.409 -6.338 1.00 62.33 C ATOM 1504 C LEU A 90 0.943 2.358 -6.249 1.00 70.22 C ATOM 1505 O LEU A 90 2.049 2.667 -5.815 1.00 13.11 O ATOM 1506 CB LEU A 90 -1.323 3.193 -5.355 1.00 42.24 C ATOM 1507 CG LEU A 90 -0.976 3.624 -3.924 1.00 14.23 C ATOM 1508 CD1 LEU A 90 -0.815 5.135 -3.719 1.00 34.32 C ATOM 1509 CD2 LEU A 90 -2.145 3.169 -3.058 1.00 43.35 C ATOM 0 H LEU A 90 -1.746 3.249 -7.692 1.00 2.34 H new ATOM 0 HA LEU A 90 0.337 4.339 -6.081 1.00 62.33 H new ATOM 0 HB2 LEU A 90 -2.194 3.752 -5.696 1.00 42.24 H new ATOM 0 HB3 LEU A 90 -1.601 2.139 -5.354 1.00 42.24 H new ATOM 0 HG LEU A 90 -0.011 3.183 -3.673 1.00 14.23 H new ATOM 0 HD11 LEU A 90 -0.571 5.337 -2.676 1.00 34.32 H new ATOM 0 HD12 LEU A 90 -0.013 5.505 -4.358 1.00 34.32 H new ATOM 0 HD13 LEU A 90 -1.747 5.639 -3.977 1.00 34.32 H new ATOM 0 HD21 LEU A 90 -1.959 3.447 -2.021 1.00 43.35 H new ATOM 0 HD22 LEU A 90 -3.062 3.647 -3.403 1.00 43.35 H new ATOM 0 HD23 LEU A 90 -2.251 2.087 -3.130 1.00 43.35 H new ATOM 1521 N HIS A 91 0.714 1.149 -6.767 1.00 11.24 N ATOM 1522 CA HIS A 91 1.731 0.103 -6.913 1.00 44.30 C ATOM 1523 C HIS A 91 2.957 0.593 -7.697 1.00 65.40 C ATOM 1524 O HIS A 91 4.089 0.325 -7.285 1.00 62.10 O ATOM 1525 CB HIS A 91 1.057 -1.123 -7.555 1.00 74.21 C ATOM 1526 CG HIS A 91 1.872 -2.124 -8.342 1.00 23.33 C ATOM 1527 ND1 HIS A 91 3.180 -2.499 -8.176 1.00 12.20 N flip ATOM 1528 CD2 HIS A 91 1.369 -2.834 -9.411 1.00 63.15 C flip ATOM 1529 CE1 HIS A 91 3.483 -3.404 -9.207 1.00 30.45 C flip ATOM 1530 NE2 HIS A 91 2.351 -3.596 -9.908 1.00 10.32 N flip ATOM 0 H HIS A 91 -0.205 0.863 -7.105 1.00 11.24 H new ATOM 0 HA HIS A 91 2.124 -0.176 -5.935 1.00 44.30 H new ATOM 0 HB2 HIS A 91 0.559 -1.672 -6.755 1.00 74.21 H new ATOM 0 HB3 HIS A 91 0.277 -0.750 -8.219 1.00 74.21 H new ATOM 0 HD2 HIS A 91 0.357 -2.784 -9.784 1.00 63.15 H new ATOM 0 HE1 HIS A 91 4.443 -3.859 -9.400 1.00 30.45 H new ATOM 0 HE2 HIS A 91 2.255 -4.229 -10.702 1.00 10.32 H new ATOM 1538 N LYS A 92 2.768 1.275 -8.835 1.00 0.33 N ATOM 1539 CA LYS A 92 3.901 1.808 -9.605 1.00 62.41 C ATOM 1540 C LYS A 92 4.711 2.770 -8.734 1.00 4.02 C ATOM 1541 O LYS A 92 5.937 2.656 -8.663 1.00 61.24 O ATOM 1542 CB LYS A 92 3.399 2.498 -10.888 1.00 22.30 C ATOM 1543 CG LYS A 92 4.527 2.829 -11.887 1.00 2.40 C ATOM 1544 CD LYS A 92 5.009 1.629 -12.718 1.00 24.33 C ATOM 1545 CE LYS A 92 3.916 1.190 -13.705 1.00 65.23 C ATOM 1546 NZ LYS A 92 3.731 -0.275 -13.763 1.00 43.32 N1+ ATOM 0 H LYS A 92 1.852 1.469 -9.240 1.00 0.33 H new ATOM 0 HA LYS A 92 4.553 0.987 -9.904 1.00 62.41 H new ATOM 0 HB2 LYS A 92 2.669 1.853 -11.377 1.00 22.30 H new ATOM 0 HB3 LYS A 92 2.881 3.418 -10.618 1.00 22.30 H new ATOM 0 HG2 LYS A 92 4.179 3.609 -12.565 1.00 2.40 H new ATOM 0 HG3 LYS A 92 5.374 3.239 -11.337 1.00 2.40 H new ATOM 0 HD2 LYS A 92 5.915 1.896 -13.263 1.00 24.33 H new ATOM 0 HD3 LYS A 92 5.266 0.801 -12.058 1.00 24.33 H new ATOM 0 HE2 LYS A 92 2.973 1.657 -13.422 1.00 65.23 H new ATOM 0 HE3 LYS A 92 4.167 1.557 -14.700 1.00 65.23 H new ATOM 0 HZ1 LYS A 92 2.981 -0.503 -14.446 1.00 43.32 H new ATOM 0 HZ2 LYS A 92 4.620 -0.726 -14.061 1.00 43.32 H new ATOM 0 HZ3 LYS A 92 3.462 -0.628 -12.823 1.00 43.32 H new ATOM 1560 N LEU A 93 3.998 3.690 -8.081 1.00 63.33 N ATOM 1561 CA LEU A 93 4.521 4.741 -7.228 1.00 20.11 C ATOM 1562 C LEU A 93 5.413 4.131 -6.155 1.00 43.43 C ATOM 1563 O LEU A 93 6.579 4.517 -6.047 1.00 62.13 O ATOM 1564 CB LEU A 93 3.349 5.568 -6.643 1.00 1.11 C ATOM 1565 CG LEU A 93 3.616 7.075 -6.506 1.00 52.21 C ATOM 1566 CD1 LEU A 93 3.854 7.738 -7.862 1.00 23.33 C ATOM 1567 CD2 LEU A 93 2.387 7.775 -5.921 1.00 24.41 C ATOM 0 H LEU A 93 2.980 3.716 -8.142 1.00 63.33 H new ATOM 0 HA LEU A 93 5.140 5.429 -7.804 1.00 20.11 H new ATOM 0 HB2 LEU A 93 2.474 5.427 -7.277 1.00 1.11 H new ATOM 0 HB3 LEU A 93 3.099 5.169 -5.660 1.00 1.11 H new ATOM 0 HG LEU A 93 4.495 7.171 -5.869 1.00 52.21 H new ATOM 0 HD11 LEU A 93 4.039 8.803 -7.719 1.00 23.33 H new ATOM 0 HD12 LEU A 93 4.719 7.281 -8.344 1.00 23.33 H new ATOM 0 HD13 LEU A 93 2.975 7.604 -8.492 1.00 23.33 H new ATOM 0 HD21 LEU A 93 2.586 8.843 -5.828 1.00 24.41 H new ATOM 0 HD22 LEU A 93 1.533 7.622 -6.580 1.00 24.41 H new ATOM 0 HD23 LEU A 93 2.166 7.360 -4.938 1.00 24.41 H new ATOM 1579 N TYR A 94 4.878 3.146 -5.427 1.00 62.42 N ATOM 1580 CA TYR A 94 5.559 2.401 -4.386 1.00 42.52 C ATOM 1581 C TYR A 94 6.829 1.732 -4.911 1.00 73.20 C ATOM 1582 O TYR A 94 7.904 1.966 -4.349 1.00 63.02 O ATOM 1583 CB TYR A 94 4.598 1.373 -3.775 1.00 5.32 C ATOM 1584 CG TYR A 94 5.245 0.537 -2.690 1.00 33.45 C ATOM 1585 CD1 TYR A 94 5.485 1.102 -1.425 1.00 3.30 C ATOM 1586 CD2 TYR A 94 5.684 -0.771 -2.964 1.00 12.54 C ATOM 1587 CE1 TYR A 94 6.226 0.398 -0.462 1.00 21.21 C ATOM 1588 CE2 TYR A 94 6.393 -1.496 -1.989 1.00 73.21 C ATOM 1589 CZ TYR A 94 6.697 -0.904 -0.745 1.00 54.02 C ATOM 1590 OH TYR A 94 7.455 -1.576 0.160 1.00 52.45 O ATOM 0 H TYR A 94 3.914 2.839 -5.560 1.00 62.42 H new ATOM 0 HA TYR A 94 5.870 3.098 -3.608 1.00 42.52 H new ATOM 0 HB2 TYR A 94 3.734 1.892 -3.361 1.00 5.32 H new ATOM 0 HB3 TYR A 94 4.228 0.716 -4.562 1.00 5.32 H new ATOM 0 HD1 TYR A 94 5.097 2.083 -1.193 1.00 3.30 H new ATOM 0 HD2 TYR A 94 5.476 -1.219 -3.924 1.00 12.54 H new ATOM 0 HE1 TYR A 94 6.436 0.852 0.495 1.00 21.21 H new ATOM 0 HE2 TYR A 94 6.706 -2.509 -2.193 1.00 73.21 H new ATOM 0 HH TYR A 94 7.690 -2.457 -0.200 1.00 52.45 H new ATOM 1600 N LYS A 95 6.736 0.916 -5.972 1.00 41.45 N ATOM 1601 CA LYS A 95 7.909 0.209 -6.494 1.00 54.30 C ATOM 1602 C LYS A 95 9.032 1.192 -6.820 1.00 22.23 C ATOM 1603 O LYS A 95 10.187 0.910 -6.497 1.00 35.23 O ATOM 1604 CB LYS A 95 7.564 -0.686 -7.708 1.00 32.21 C ATOM 1605 CG LYS A 95 7.467 -2.173 -7.310 1.00 61.25 C ATOM 1606 CD LYS A 95 7.602 -3.129 -8.510 1.00 54.15 C ATOM 1607 CE LYS A 95 7.812 -4.568 -8.008 1.00 22.41 C ATOM 1608 NZ LYS A 95 8.164 -5.520 -9.091 1.00 12.11 N1+ ATOM 0 H LYS A 95 5.870 0.732 -6.479 1.00 41.45 H new ATOM 0 HA LYS A 95 8.261 -0.460 -5.709 1.00 54.30 H new ATOM 0 HB2 LYS A 95 6.618 -0.363 -8.141 1.00 32.21 H new ATOM 0 HB3 LYS A 95 8.326 -0.564 -8.478 1.00 32.21 H new ATOM 0 HG2 LYS A 95 8.246 -2.400 -6.583 1.00 61.25 H new ATOM 0 HG3 LYS A 95 6.511 -2.350 -6.818 1.00 61.25 H new ATOM 0 HD2 LYS A 95 6.707 -3.077 -9.130 1.00 54.15 H new ATOM 0 HD3 LYS A 95 8.442 -2.826 -9.136 1.00 54.15 H new ATOM 0 HE2 LYS A 95 8.603 -4.572 -7.258 1.00 22.41 H new ATOM 0 HE3 LYS A 95 6.902 -4.910 -7.514 1.00 22.41 H new ATOM 0 HZ1 LYS A 95 8.292 -6.471 -8.689 1.00 12.11 H new ATOM 0 HZ2 LYS A 95 7.400 -5.542 -9.796 1.00 12.11 H new ATOM 0 HZ3 LYS A 95 9.047 -5.215 -9.548 1.00 12.11 H new ATOM 1622 N HIS A 96 8.712 2.329 -7.444 1.00 2.14 N ATOM 1623 CA HIS A 96 9.725 3.339 -7.723 1.00 2.00 C ATOM 1624 C HIS A 96 10.284 3.968 -6.450 1.00 64.43 C ATOM 1625 O HIS A 96 11.493 4.157 -6.375 1.00 42.32 O ATOM 1626 CB HIS A 96 9.188 4.399 -8.688 1.00 24.51 C ATOM 1627 CG HIS A 96 9.702 4.124 -10.072 1.00 14.41 C ATOM 1628 ND1 HIS A 96 10.793 4.720 -10.672 1.00 42.35 N ATOM 1629 CD2 HIS A 96 9.306 3.086 -10.864 1.00 62.44 C ATOM 1630 CE1 HIS A 96 11.036 4.070 -11.821 1.00 43.34 C ATOM 1631 NE2 HIS A 96 10.141 3.077 -11.983 1.00 62.31 N ATOM 0 H HIS A 96 7.772 2.567 -7.760 1.00 2.14 H new ATOM 0 HA HIS A 96 10.560 2.833 -8.208 1.00 2.00 H new ATOM 0 HB2 HIS A 96 8.098 4.390 -8.685 1.00 24.51 H new ATOM 0 HB3 HIS A 96 9.499 5.392 -8.364 1.00 24.51 H new ATOM 0 HD2 HIS A 96 8.497 2.399 -10.663 1.00 62.44 H new ATOM 0 HE1 HIS A 96 11.831 4.308 -12.512 1.00 43.34 H new ATOM 0 HE2 HIS A 96 10.084 2.437 -12.776 1.00 62.31 H new ATOM 1639 N ALA A 97 9.448 4.284 -5.459 1.00 74.32 N ATOM 1640 CA ALA A 97 9.912 4.928 -4.237 1.00 62.11 C ATOM 1641 C ALA A 97 10.954 4.065 -3.512 1.00 21.45 C ATOM 1642 O ALA A 97 12.028 4.578 -3.189 1.00 62.01 O ATOM 1643 CB ALA A 97 8.724 5.271 -3.339 1.00 12.11 C ATOM 0 H ALA A 97 8.445 4.102 -5.483 1.00 74.32 H new ATOM 0 HA ALA A 97 10.411 5.860 -4.502 1.00 62.11 H new ATOM 0 HB1 ALA A 97 9.083 5.752 -2.429 1.00 12.11 H new ATOM 0 HB2 ALA A 97 8.053 5.948 -3.867 1.00 12.11 H new ATOM 0 HB3 ALA A 97 8.188 4.358 -3.080 1.00 12.11 H new ATOM 1649 N ILE A 98 10.670 2.775 -3.291 1.00 4.01 N ATOM 1650 CA ILE A 98 11.640 1.874 -2.655 1.00 65.43 C ATOM 1651 C ILE A 98 12.861 1.648 -3.545 1.00 70.52 C ATOM 1652 O ILE A 98 13.982 1.643 -3.044 1.00 31.14 O ATOM 1653 CB ILE A 98 10.989 0.551 -2.200 1.00 34.23 C ATOM 1654 CG1 ILE A 98 11.947 -0.229 -1.271 1.00 72.03 C ATOM 1655 CG2 ILE A 98 10.466 -0.318 -3.354 1.00 12.03 C ATOM 1656 CD1 ILE A 98 11.277 -1.374 -0.499 1.00 25.45 C ATOM 0 H ILE A 98 9.784 2.335 -3.541 1.00 4.01 H new ATOM 0 HA ILE A 98 11.996 2.366 -1.750 1.00 65.43 H new ATOM 0 HB ILE A 98 10.097 0.822 -1.634 1.00 34.23 H new ATOM 0 HG12 ILE A 98 12.763 -0.636 -1.868 1.00 72.03 H new ATOM 0 HG13 ILE A 98 12.390 0.466 -0.557 1.00 72.03 H new ATOM 0 HG21 ILE A 98 10.023 -1.229 -2.952 1.00 12.03 H new ATOM 0 HG22 ILE A 98 9.712 0.235 -3.913 1.00 12.03 H new ATOM 0 HG23 ILE A 98 11.291 -0.578 -4.017 1.00 12.03 H new ATOM 0 HD11 ILE A 98 12.016 -1.871 0.129 1.00 25.45 H new ATOM 0 HD12 ILE A 98 10.479 -0.973 0.127 1.00 25.45 H new ATOM 0 HD13 ILE A 98 10.859 -2.092 -1.204 1.00 25.45 H new ATOM 1668 N LYS A 99 12.670 1.500 -4.862 1.00 65.44 N ATOM 1669 CA LYS A 99 13.806 1.360 -5.773 1.00 2.32 C ATOM 1670 C LYS A 99 14.714 2.585 -5.710 1.00 44.52 C ATOM 1671 O LYS A 99 15.924 2.416 -5.641 1.00 12.43 O ATOM 1672 CB LYS A 99 13.323 1.037 -7.188 1.00 70.12 C ATOM 1673 CG LYS A 99 14.471 0.953 -8.204 1.00 70.31 C ATOM 1674 CD LYS A 99 14.053 0.185 -9.471 1.00 52.12 C ATOM 1675 CE LYS A 99 14.322 0.941 -10.774 1.00 11.33 C ATOM 1676 NZ LYS A 99 15.741 1.295 -10.987 1.00 60.11 N1+ ATOM 0 H LYS A 99 11.755 1.475 -5.312 1.00 65.44 H new ATOM 0 HA LYS A 99 14.417 0.516 -5.452 1.00 2.32 H new ATOM 0 HB2 LYS A 99 12.785 0.089 -7.176 1.00 70.12 H new ATOM 0 HB3 LYS A 99 12.615 1.801 -7.509 1.00 70.12 H new ATOM 0 HG2 LYS A 99 14.790 1.959 -8.477 1.00 70.31 H new ATOM 0 HG3 LYS A 99 15.328 0.460 -7.745 1.00 70.31 H new ATOM 0 HD2 LYS A 99 14.584 -0.766 -9.499 1.00 52.12 H new ATOM 0 HD3 LYS A 99 12.989 -0.045 -9.410 1.00 52.12 H new ATOM 0 HE2 LYS A 99 13.981 0.332 -11.611 1.00 11.33 H new ATOM 0 HE3 LYS A 99 13.726 1.854 -10.781 1.00 11.33 H new ATOM 0 HZ1 LYS A 99 15.843 1.789 -11.897 1.00 60.11 H new ATOM 0 HZ2 LYS A 99 16.063 1.917 -10.218 1.00 60.11 H new ATOM 0 HZ3 LYS A 99 16.317 0.429 -10.997 1.00 60.11 H new ATOM 1690 N LYS A 100 14.173 3.808 -5.643 1.00 42.13 N ATOM 1691 CA LYS A 100 14.992 5.005 -5.445 1.00 4.50 C ATOM 1692 C LYS A 100 15.803 4.890 -4.149 1.00 64.53 C ATOM 1693 O LYS A 100 16.951 5.338 -4.106 1.00 65.31 O ATOM 1694 CB LYS A 100 14.131 6.284 -5.525 1.00 23.44 C ATOM 1695 CG LYS A 100 14.946 7.596 -5.462 1.00 42.32 C ATOM 1696 CD LYS A 100 15.000 8.211 -4.053 1.00 74.15 C ATOM 1697 CE LYS A 100 16.180 9.173 -3.852 1.00 14.21 C ATOM 1698 NZ LYS A 100 16.080 10.432 -4.617 1.00 55.41 N1+ ATOM 0 H LYS A 100 13.173 3.992 -5.723 1.00 42.13 H new ATOM 0 HA LYS A 100 15.716 5.084 -6.256 1.00 4.50 H new ATOM 0 HB2 LYS A 100 13.560 6.268 -6.453 1.00 23.44 H new ATOM 0 HB3 LYS A 100 13.411 6.276 -4.707 1.00 23.44 H new ATOM 0 HG2 LYS A 100 15.962 7.401 -5.805 1.00 42.32 H new ATOM 0 HG3 LYS A 100 14.510 8.320 -6.151 1.00 42.32 H new ATOM 0 HD2 LYS A 100 14.069 8.745 -3.862 1.00 74.15 H new ATOM 0 HD3 LYS A 100 15.065 7.410 -3.317 1.00 74.15 H new ATOM 0 HE2 LYS A 100 16.261 9.412 -2.792 1.00 14.21 H new ATOM 0 HE3 LYS A 100 17.101 8.663 -4.135 1.00 14.21 H new ATOM 0 HZ1 LYS A 100 16.914 11.022 -4.425 1.00 55.41 H new ATOM 0 HZ2 LYS A 100 16.034 10.218 -5.634 1.00 55.41 H new ATOM 0 HZ3 LYS A 100 15.221 10.944 -4.332 1.00 55.41 H new ATOM 1712 N ARG A 101 15.245 4.267 -3.105 1.00 13.00 N ATOM 1713 CA ARG A 101 15.951 4.066 -1.844 1.00 21.24 C ATOM 1714 C ARG A 101 17.138 3.128 -1.952 1.00 32.44 C ATOM 1715 O ARG A 101 18.086 3.323 -1.189 1.00 41.23 O ATOM 1716 CB ARG A 101 14.996 3.612 -0.722 1.00 43.10 C ATOM 1717 CG ARG A 101 14.956 4.664 0.390 1.00 13.42 C ATOM 1718 CD ARG A 101 14.207 5.903 -0.109 1.00 31.55 C ATOM 1719 NE ARG A 101 14.487 7.072 0.727 1.00 14.22 N ATOM 1720 CZ ARG A 101 13.658 8.089 0.947 1.00 32.10 C ATOM 1721 NH1 ARG A 101 12.454 8.110 0.382 1.00 32.33 N1+ ATOM 1722 NH2 ARG A 101 14.039 9.082 1.737 1.00 74.22 N ATOM 0 H ARG A 101 14.297 3.892 -3.114 1.00 13.00 H new ATOM 0 HA ARG A 101 16.355 5.044 -1.582 1.00 21.24 H new ATOM 0 HB2 ARG A 101 13.995 3.459 -1.125 1.00 43.10 H new ATOM 0 HB3 ARG A 101 15.326 2.655 -0.317 1.00 43.10 H new ATOM 0 HG2 ARG A 101 14.462 4.258 1.273 1.00 13.42 H new ATOM 0 HG3 ARG A 101 15.969 4.933 0.688 1.00 13.42 H new ATOM 0 HD2 ARG A 101 14.495 6.113 -1.139 1.00 31.55 H new ATOM 0 HD3 ARG A 101 13.135 5.705 -0.112 1.00 31.55 H new ATOM 0 HE ARG A 101 15.399 7.110 1.181 1.00 14.22 H new ATOM 0 HH11 ARG A 101 12.162 7.343 -0.224 1.00 32.33 H new ATOM 0 HH12 ARG A 101 11.823 8.893 0.555 1.00 32.33 H new ATOM 0 HH21 ARG A 101 14.962 9.063 2.171 1.00 74.22 H new ATOM 0 HH22 ARG A 101 13.410 9.866 1.911 1.00 74.22 H new