USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 759 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 37 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 40 GLN : amide:sc= 0.26 K(o=0.26,f=-0.25) USER MOD Single : A 2 THR OG1 : rot -163:sc= -1.45 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 8 GLN : amide:sc= -1.42 K(o=-1.4,f=-0.34) USER MOD Single : A 13 LYS NZ :NH3+ 167:sc= 1.31 (180deg=0.98) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 47:sc= 0.206 USER MOD Single : A 18 TYR OH : rot 30:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0.254 K(o=0.25,f=-0.26) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.347 K(o=-0.35,f=-3.9!) USER MOD Single : A 28 LYS NZ :NH3+ -163:sc= -0.0333 (180deg=-0.37) USER MOD Single : A 32 GLN : amide:sc= -0.747 K(o=-0.75,f=-1.7!) USER MOD Single : A 34 MET CE :methyl -128:sc= -0.0633 (180deg=-2.63!) USER MOD Single : A 36 LYS NZ :NH3+ 138:sc= -1.42 (180deg=-3.42!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -124:sc= -0.047 (180deg=-0.288) USER MOD Single : A 46 ASN : amide:sc= 0.392 X(o=0.39,f=0) USER MOD Single : A 48 THR OG1 : rot 180:sc=0.000285 USER MOD Single : A 50 TYR OH : rot -9:sc= 0.0788 USER MOD Single : A 51 GLN : amide:sc= -0.552 K(o=-0.55,f=-9!) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc=-0.00398 X(o=-0.004,f=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 83:sc= 0.859 USER MOD Single : A 75 THR OG1 : rot 73:sc= 1.23 USER MOD Single : A 76 GLN : amide:sc= -0.0396 X(o=-0.04,f=-0.52) USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.664 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0355) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 -11.047 -2.047 -2.070 1.00 21.24 N ATOM 21 CA THR A 2 -10.601 -3.286 -2.742 1.00 23.24 C ATOM 22 C THR A 2 -9.189 -3.094 -3.326 1.00 33.31 C ATOM 23 O THR A 2 -8.616 -2.008 -3.212 1.00 42.23 O ATOM 24 CB THR A 2 -11.579 -3.688 -3.896 1.00 61.43 C ATOM 25 OG1 THR A 2 -11.674 -2.621 -4.848 1.00 43.13 O ATOM 26 CG2 THR A 2 -12.984 -4.045 -3.389 1.00 11.43 C ATOM 0 HA THR A 2 -10.590 -4.081 -1.996 1.00 23.24 H new ATOM 0 HB THR A 2 -11.165 -4.581 -4.364 1.00 61.43 H new ATOM 0 HG1 THR A 2 -12.467 -2.752 -5.408 1.00 43.13 H new ATOM 0 HG21 THR A 2 -13.618 -4.315 -4.234 1.00 11.43 H new ATOM 0 HG22 THR A 2 -12.919 -4.887 -2.700 1.00 11.43 H new ATOM 0 HG23 THR A 2 -13.414 -3.186 -2.873 1.00 11.43 H new ATOM 34 N GLY A 3 -8.653 -4.143 -3.979 1.00 60.54 N ATOM 35 CA GLY A 3 -7.380 -4.039 -4.710 1.00 35.42 C ATOM 36 C GLY A 3 -7.498 -3.235 -5.988 1.00 43.30 C ATOM 37 O GLY A 3 -6.503 -2.712 -6.490 1.00 0.44 O ATOM 0 H GLY A 3 -9.082 -5.068 -4.014 1.00 60.54 H new ATOM 0 HA2 GLY A 3 -6.633 -3.578 -4.064 1.00 35.42 H new ATOM 0 HA3 GLY A 3 -7.021 -5.040 -4.948 1.00 35.42 H new ATOM 41 N GLN A 4 -8.737 -3.155 -6.509 1.00 10.14 N ATOM 42 CA GLN A 4 -9.106 -2.231 -7.588 1.00 70.32 C ATOM 43 C GLN A 4 -8.902 -0.785 -7.108 1.00 3.13 C ATOM 44 O GLN A 4 -8.164 -0.017 -7.719 1.00 20.24 O ATOM 45 CB GLN A 4 -10.589 -2.475 -8.001 1.00 52.34 C ATOM 46 CG GLN A 4 -11.149 -1.550 -9.110 1.00 53.34 C ATOM 47 CD GLN A 4 -10.454 -1.694 -10.467 1.00 24.14 C ATOM 48 OE1 GLN A 4 -9.968 -2.765 -10.832 1.00 65.13 O ATOM 49 NE2 GLN A 4 -10.414 -0.615 -11.232 1.00 11.21 N ATOM 0 H GLN A 4 -9.512 -3.735 -6.188 1.00 10.14 H new ATOM 0 HA GLN A 4 -8.474 -2.403 -8.459 1.00 70.32 H new ATOM 0 HB2 GLN A 4 -10.687 -3.508 -8.334 1.00 52.34 H new ATOM 0 HB3 GLN A 4 -11.214 -2.366 -7.115 1.00 52.34 H new ATOM 0 HG2 GLN A 4 -12.212 -1.757 -9.236 1.00 53.34 H new ATOM 0 HG3 GLN A 4 -11.063 -0.515 -8.780 1.00 53.34 H new ATOM 0 HE21 GLN A 4 -10.825 0.259 -10.903 1.00 11.21 H new ATOM 0 HE22 GLN A 4 -9.972 -0.657 -12.150 1.00 11.21 H new ATOM 58 N GLU A 5 -9.508 -0.471 -5.950 1.00 44.15 N ATOM 59 CA GLU A 5 -9.480 0.878 -5.357 1.00 5.42 C ATOM 60 C GLU A 5 -8.079 1.251 -4.824 1.00 35.55 C ATOM 61 O GLU A 5 -7.697 2.428 -4.843 1.00 71.03 O ATOM 62 CB GLU A 5 -10.527 0.970 -4.221 1.00 20.33 C ATOM 63 CG GLU A 5 -11.971 0.636 -4.647 1.00 32.52 C ATOM 64 CD GLU A 5 -12.502 1.499 -5.811 1.00 11.04 C ATOM 65 OE1 GLU A 5 -12.860 2.672 -5.569 1.00 44.42 O ATOM 66 OE2 GLU A 5 -12.578 1.002 -6.961 1.00 12.25 O ATOM 0 H GLU A 5 -10.033 -1.148 -5.397 1.00 44.15 H new ATOM 0 HA GLU A 5 -9.726 1.592 -6.143 1.00 5.42 H new ATOM 0 HB2 GLU A 5 -10.233 0.293 -3.419 1.00 20.33 H new ATOM 0 HB3 GLU A 5 -10.508 1.979 -3.809 1.00 20.33 H new ATOM 0 HG2 GLU A 5 -12.019 -0.414 -4.936 1.00 32.52 H new ATOM 0 HG3 GLU A 5 -12.630 0.760 -3.787 1.00 32.52 H new ATOM 73 N LEU A 6 -7.330 0.239 -4.351 1.00 1.15 N ATOM 74 CA LEU A 6 -5.961 0.419 -3.841 1.00 24.24 C ATOM 75 C LEU A 6 -5.021 0.766 -5.001 1.00 14.21 C ATOM 76 O LEU A 6 -4.182 1.669 -4.887 1.00 75.31 O ATOM 77 CB LEU A 6 -5.469 -0.862 -3.102 1.00 60.22 C ATOM 78 CG LEU A 6 -4.024 -0.807 -2.494 1.00 52.25 C ATOM 79 CD1 LEU A 6 -3.871 0.335 -1.463 1.00 22.30 C ATOM 80 CD2 LEU A 6 -3.629 -2.169 -1.884 1.00 14.20 C ATOM 0 H LEU A 6 -7.658 -0.726 -4.312 1.00 1.15 H new ATOM 0 HA LEU A 6 -5.960 1.239 -3.123 1.00 24.24 H new ATOM 0 HB2 LEU A 6 -6.170 -1.082 -2.297 1.00 60.22 H new ATOM 0 HB3 LEU A 6 -5.514 -1.697 -3.801 1.00 60.22 H new ATOM 0 HG LEU A 6 -3.337 -0.590 -3.312 1.00 52.25 H new ATOM 0 HD11 LEU A 6 -2.855 0.335 -1.068 1.00 22.30 H new ATOM 0 HD12 LEU A 6 -4.073 1.291 -1.946 1.00 22.30 H new ATOM 0 HD13 LEU A 6 -4.577 0.185 -0.647 1.00 22.30 H new ATOM 0 HD21 LEU A 6 -2.623 -2.104 -1.469 1.00 14.20 H new ATOM 0 HD22 LEU A 6 -4.331 -2.431 -1.093 1.00 14.20 H new ATOM 0 HD23 LEU A 6 -3.653 -2.935 -2.659 1.00 14.20 H new ATOM 92 N ARG A 7 -5.199 0.060 -6.135 1.00 41.21 N ATOM 93 CA ARG A 7 -4.405 0.284 -7.351 1.00 2.21 C ATOM 94 C ARG A 7 -4.709 1.660 -7.958 1.00 43.21 C ATOM 95 O ARG A 7 -3.792 2.378 -8.354 1.00 4.30 O ATOM 96 CB ARG A 7 -4.662 -0.821 -8.399 1.00 45.12 C ATOM 97 CG ARG A 7 -3.789 -0.688 -9.660 1.00 62.31 C ATOM 98 CD ARG A 7 -3.984 -1.831 -10.659 1.00 35.43 C ATOM 99 NE ARG A 7 -3.136 -1.673 -11.855 1.00 5.54 N ATOM 100 CZ ARG A 7 -3.026 -2.569 -12.844 1.00 52.13 C ATOM 101 NH1 ARG A 7 -3.715 -3.708 -12.810 1.00 3.03 N ATOM 102 NH2 ARG A 7 -2.226 -2.321 -13.867 1.00 21.12 N ATOM 0 H ARG A 7 -5.896 -0.679 -6.230 1.00 41.21 H new ATOM 0 HA ARG A 7 -3.354 0.250 -7.064 1.00 2.21 H new ATOM 0 HB2 ARG A 7 -4.480 -1.794 -7.942 1.00 45.12 H new ATOM 0 HB3 ARG A 7 -5.712 -0.797 -8.690 1.00 45.12 H new ATOM 0 HG2 ARG A 7 -4.017 0.257 -10.152 1.00 62.31 H new ATOM 0 HG3 ARG A 7 -2.741 -0.649 -9.364 1.00 62.31 H new ATOM 0 HD2 ARG A 7 -3.753 -2.779 -10.174 1.00 35.43 H new ATOM 0 HD3 ARG A 7 -5.031 -1.874 -10.960 1.00 35.43 H new ATOM 0 HE ARG A 7 -2.591 -0.815 -11.935 1.00 5.54 H new ATOM 0 HH11 ARG A 7 -4.335 -3.906 -12.025 1.00 3.03 H new ATOM 0 HH12 ARG A 7 -3.623 -4.383 -13.569 1.00 3.03 H new ATOM 0 HH21 ARG A 7 -1.696 -1.450 -13.900 1.00 21.12 H new ATOM 0 HH22 ARG A 7 -2.139 -3.000 -14.623 1.00 21.12 H new ATOM 116 N GLN A 8 -6.009 2.022 -8.010 1.00 32.04 N ATOM 117 CA GLN A 8 -6.459 3.342 -8.505 1.00 1.12 C ATOM 118 C GLN A 8 -5.862 4.471 -7.644 1.00 14.11 C ATOM 119 O GLN A 8 -5.523 5.530 -8.152 1.00 63.25 O ATOM 120 CB GLN A 8 -8.015 3.425 -8.517 1.00 74.32 C ATOM 121 CG GLN A 8 -8.716 2.503 -9.542 1.00 61.41 C ATOM 122 CD GLN A 8 -8.487 2.911 -10.999 1.00 55.10 C ATOM 123 OE1 GLN A 8 -9.255 3.691 -11.574 1.00 54.12 O ATOM 124 NE2 GLN A 8 -7.436 2.391 -11.602 1.00 75.55 N ATOM 0 H GLN A 8 -6.771 1.413 -7.713 1.00 32.04 H new ATOM 0 HA GLN A 8 -6.104 3.464 -9.528 1.00 1.12 H new ATOM 0 HB2 GLN A 8 -8.384 3.180 -7.521 1.00 74.32 H new ATOM 0 HB3 GLN A 8 -8.306 4.455 -8.721 1.00 74.32 H new ATOM 0 HG2 GLN A 8 -8.361 1.482 -9.400 1.00 61.41 H new ATOM 0 HG3 GLN A 8 -9.787 2.499 -9.340 1.00 61.41 H new ATOM 0 HE21 GLN A 8 -6.823 1.751 -11.097 1.00 75.55 H new ATOM 0 HE22 GLN A 8 -7.236 2.629 -12.573 1.00 75.55 H new ATOM 133 N LEU A 9 -5.685 4.202 -6.344 1.00 70.43 N ATOM 134 CA LEU A 9 -5.067 5.157 -5.406 1.00 51.43 C ATOM 135 C LEU A 9 -3.565 5.384 -5.745 1.00 61.25 C ATOM 136 O LEU A 9 -3.023 6.471 -5.508 1.00 1.43 O ATOM 137 CB LEU A 9 -5.265 4.650 -3.951 1.00 33.45 C ATOM 138 CG LEU A 9 -4.862 5.631 -2.806 1.00 64.21 C ATOM 139 CD1 LEU A 9 -5.661 6.953 -2.873 1.00 15.24 C ATOM 140 CD2 LEU A 9 -5.019 4.956 -1.430 1.00 30.32 C ATOM 0 H LEU A 9 -5.964 3.321 -5.911 1.00 70.43 H new ATOM 0 HA LEU A 9 -5.557 6.126 -5.503 1.00 51.43 H new ATOM 0 HB2 LEU A 9 -6.315 4.389 -3.822 1.00 33.45 H new ATOM 0 HB3 LEU A 9 -4.691 3.731 -3.830 1.00 33.45 H new ATOM 0 HG LEU A 9 -3.811 5.885 -2.945 1.00 64.21 H new ATOM 0 HD11 LEU A 9 -5.350 7.608 -2.059 1.00 15.24 H new ATOM 0 HD12 LEU A 9 -5.471 7.445 -3.827 1.00 15.24 H new ATOM 0 HD13 LEU A 9 -6.726 6.740 -2.781 1.00 15.24 H new ATOM 0 HD21 LEU A 9 -4.733 5.657 -0.646 1.00 30.32 H new ATOM 0 HD22 LEU A 9 -6.057 4.657 -1.288 1.00 30.32 H new ATOM 0 HD23 LEU A 9 -4.378 4.076 -1.381 1.00 30.32 H new ATOM 152 N LEU A 10 -2.919 4.359 -6.346 1.00 53.44 N ATOM 153 CA LEU A 10 -1.510 4.447 -6.805 1.00 21.44 C ATOM 154 C LEU A 10 -1.430 5.072 -8.231 1.00 21.42 C ATOM 155 O LEU A 10 -0.453 5.748 -8.570 1.00 64.33 O ATOM 156 CB LEU A 10 -0.834 3.034 -6.802 1.00 14.00 C ATOM 157 CG LEU A 10 -1.027 2.152 -5.521 1.00 12.03 C ATOM 158 CD1 LEU A 10 -0.361 0.766 -5.692 1.00 54.11 C ATOM 159 CD2 LEU A 10 -0.524 2.860 -4.244 1.00 52.51 C ATOM 0 H LEU A 10 -3.353 3.454 -6.526 1.00 53.44 H new ATOM 0 HA LEU A 10 -0.973 5.092 -6.110 1.00 21.44 H new ATOM 0 HB2 LEU A 10 -1.214 2.476 -7.657 1.00 14.00 H new ATOM 0 HB3 LEU A 10 0.236 3.171 -6.960 1.00 14.00 H new ATOM 0 HG LEU A 10 -2.099 1.999 -5.398 1.00 12.03 H new ATOM 0 HD11 LEU A 10 -0.511 0.176 -4.788 1.00 54.11 H new ATOM 0 HD12 LEU A 10 -0.809 0.249 -6.541 1.00 54.11 H new ATOM 0 HD13 LEU A 10 0.707 0.895 -5.868 1.00 54.11 H new ATOM 0 HD21 LEU A 10 -0.679 2.210 -3.383 1.00 52.51 H new ATOM 0 HD22 LEU A 10 0.538 3.081 -4.345 1.00 52.51 H new ATOM 0 HD23 LEU A 10 -1.076 3.789 -4.101 1.00 52.51 H new ATOM 171 N LEU A 11 -2.478 4.835 -9.055 1.00 23.25 N ATOM 172 CA LEU A 11 -2.514 5.248 -10.482 1.00 35.54 C ATOM 173 C LEU A 11 -2.895 6.738 -10.641 1.00 45.12 C ATOM 174 O LEU A 11 -2.306 7.446 -11.456 1.00 44.42 O ATOM 175 CB LEU A 11 -3.494 4.345 -11.289 1.00 30.32 C ATOM 176 CG LEU A 11 -3.064 2.851 -11.477 1.00 43.34 C ATOM 177 CD1 LEU A 11 -4.162 2.045 -12.200 1.00 24.33 C ATOM 178 CD2 LEU A 11 -1.719 2.733 -12.224 1.00 3.51 C ATOM 0 H LEU A 11 -3.323 4.352 -8.751 1.00 23.25 H new ATOM 0 HA LEU A 11 -1.508 5.123 -10.883 1.00 35.54 H new ATOM 0 HB2 LEU A 11 -4.464 4.362 -10.791 1.00 30.32 H new ATOM 0 HB3 LEU A 11 -3.634 4.788 -12.275 1.00 30.32 H new ATOM 0 HG LEU A 11 -2.927 2.427 -10.482 1.00 43.34 H new ATOM 0 HD11 LEU A 11 -3.837 1.011 -12.317 1.00 24.33 H new ATOM 0 HD12 LEU A 11 -5.080 2.072 -11.613 1.00 24.33 H new ATOM 0 HD13 LEU A 11 -4.346 2.481 -13.182 1.00 24.33 H new ATOM 0 HD21 LEU A 11 -1.455 1.681 -12.335 1.00 3.51 H new ATOM 0 HD22 LEU A 11 -1.809 3.190 -13.209 1.00 3.51 H new ATOM 0 HD23 LEU A 11 -0.941 3.244 -11.656 1.00 3.51 H new ATOM 190 N ASP A 12 -3.911 7.196 -9.898 1.00 64.42 N ATOM 191 CA ASP A 12 -4.293 8.633 -9.845 1.00 45.13 C ATOM 192 C ASP A 12 -3.137 9.494 -9.296 1.00 64.32 C ATOM 193 O ASP A 12 -2.921 10.621 -9.753 1.00 52.04 O ATOM 194 CB ASP A 12 -5.567 8.845 -8.971 1.00 12.51 C ATOM 195 CG ASP A 12 -6.873 8.393 -9.653 1.00 53.55 C ATOM 196 OD1 ASP A 12 -7.486 9.203 -10.386 1.00 2.11 O ATOM 197 OD2 ASP A 12 -7.299 7.236 -9.456 1.00 71.42 O ATOM 0 H ASP A 12 -4.494 6.594 -9.317 1.00 64.42 H new ATOM 0 HA ASP A 12 -4.512 8.948 -10.865 1.00 45.13 H new ATOM 0 HB2 ASP A 12 -5.449 8.299 -8.035 1.00 12.51 H new ATOM 0 HB3 ASP A 12 -5.649 9.901 -8.715 1.00 12.51 H new ATOM 202 N LYS A 13 -2.403 8.934 -8.322 1.00 30.12 N ATOM 203 CA LYS A 13 -1.318 9.638 -7.636 1.00 52.22 C ATOM 204 C LYS A 13 -0.067 9.737 -8.529 1.00 10.25 C ATOM 205 O LYS A 13 0.341 10.828 -8.949 1.00 4.31 O ATOM 206 CB LYS A 13 -0.966 8.899 -6.313 1.00 25.53 C ATOM 207 CG LYS A 13 0.010 9.665 -5.397 1.00 54.30 C ATOM 208 CD LYS A 13 -0.615 10.967 -4.864 1.00 65.21 C ATOM 209 CE LYS A 13 0.382 11.841 -4.097 1.00 72.21 C ATOM 210 NZ LYS A 13 -0.292 13.046 -3.539 1.00 63.01 N ATOM 0 H LYS A 13 -2.548 7.980 -7.991 1.00 30.12 H new ATOM 0 HA LYS A 13 -1.655 10.650 -7.411 1.00 52.22 H new ATOM 0 HB2 LYS A 13 -1.887 8.706 -5.762 1.00 25.53 H new ATOM 0 HB3 LYS A 13 -0.532 7.930 -6.557 1.00 25.53 H new ATOM 0 HG2 LYS A 13 0.298 9.030 -4.559 1.00 54.30 H new ATOM 0 HG3 LYS A 13 0.921 9.897 -5.949 1.00 54.30 H new ATOM 0 HD2 LYS A 13 -1.021 11.537 -5.700 1.00 65.21 H new ATOM 0 HD3 LYS A 13 -1.451 10.721 -4.210 1.00 65.21 H new ATOM 0 HE2 LYS A 13 0.832 11.264 -3.289 1.00 72.21 H new ATOM 0 HE3 LYS A 13 1.191 12.146 -4.761 1.00 72.21 H new ATOM 0 HZ1 LYS A 13 0.335 13.506 -2.848 1.00 63.01 H new ATOM 0 HZ2 LYS A 13 -0.506 13.712 -4.309 1.00 63.01 H new ATOM 0 HZ3 LYS A 13 -1.176 12.763 -3.070 1.00 63.01 H new ATOM 224 N TRP A 14 0.525 8.571 -8.817 1.00 32.32 N ATOM 225 CA TRP A 14 1.812 8.470 -9.523 1.00 73.55 C ATOM 226 C TRP A 14 1.613 8.096 -10.999 1.00 43.03 C ATOM 227 O TRP A 14 2.307 8.614 -11.875 1.00 62.54 O ATOM 228 CB TRP A 14 2.712 7.425 -8.816 1.00 4.41 C ATOM 229 CG TRP A 14 3.098 7.806 -7.394 1.00 42.13 C ATOM 230 CD1 TRP A 14 3.933 8.816 -7.023 1.00 65.52 C ATOM 231 CD2 TRP A 14 2.681 7.175 -6.169 1.00 53.35 C ATOM 232 NE1 TRP A 14 4.047 8.864 -5.662 1.00 22.32 N ATOM 233 CE2 TRP A 14 3.296 7.870 -5.112 1.00 1.02 C ATOM 234 CE3 TRP A 14 1.841 6.097 -5.861 1.00 70.22 C ATOM 235 CZ2 TRP A 14 3.102 7.527 -3.775 1.00 74.02 C ATOM 236 CZ3 TRP A 14 1.657 5.753 -4.535 1.00 40.11 C ATOM 237 CH2 TRP A 14 2.282 6.467 -3.505 1.00 21.01 C ATOM 0 H TRP A 14 0.125 7.667 -8.567 1.00 32.32 H new ATOM 0 HA TRP A 14 2.298 9.445 -9.494 1.00 73.55 H new ATOM 0 HB2 TRP A 14 2.193 6.467 -8.797 1.00 4.41 H new ATOM 0 HB3 TRP A 14 3.619 7.285 -9.403 1.00 4.41 H new ATOM 0 HD1 TRP A 14 4.434 9.484 -7.708 1.00 65.52 H new ATOM 0 HE1 TRP A 14 4.607 9.538 -5.140 1.00 22.32 H new ATOM 0 HE3 TRP A 14 1.346 5.544 -6.646 1.00 70.22 H new ATOM 0 HZ2 TRP A 14 3.582 8.079 -2.981 1.00 74.02 H new ATOM 0 HZ3 TRP A 14 1.019 4.917 -4.288 1.00 40.11 H new ATOM 0 HH2 TRP A 14 2.113 6.175 -2.479 1.00 21.01 H new ATOM 248 N GLY A 15 0.655 7.198 -11.267 1.00 25.42 N ATOM 249 CA GLY A 15 0.436 6.666 -12.627 1.00 42.20 C ATOM 250 C GLY A 15 0.993 5.271 -12.808 1.00 13.43 C ATOM 251 O GLY A 15 0.999 4.744 -13.923 1.00 73.34 O ATOM 0 H GLY A 15 0.018 6.823 -10.564 1.00 25.42 H new ATOM 0 HA2 GLY A 15 -0.633 6.656 -12.840 1.00 42.20 H new ATOM 0 HA3 GLY A 15 0.900 7.334 -13.353 1.00 42.20 H new ATOM 255 N TYR A 16 1.471 4.674 -11.703 1.00 24.41 N ATOM 256 CA TYR A 16 2.068 3.324 -11.686 1.00 70.15 C ATOM 257 C TYR A 16 1.533 2.544 -10.484 1.00 33.31 C ATOM 258 O TYR A 16 1.387 3.099 -9.389 1.00 35.34 O ATOM 259 CB TYR A 16 3.617 3.408 -11.636 1.00 13.22 C ATOM 260 CG TYR A 16 4.244 3.993 -12.909 1.00 3.22 C ATOM 261 CD1 TYR A 16 4.563 3.171 -13.993 1.00 24.12 C ATOM 262 CD2 TYR A 16 4.497 5.364 -13.037 1.00 55.24 C ATOM 263 CE1 TYR A 16 5.106 3.690 -15.151 1.00 60.11 C ATOM 264 CE2 TYR A 16 5.042 5.882 -14.195 1.00 24.20 C ATOM 265 CZ TYR A 16 5.344 5.044 -15.246 1.00 71.42 C ATOM 266 OH TYR A 16 5.888 5.564 -16.405 1.00 15.52 O ATOM 0 H TYR A 16 1.454 5.119 -10.785 1.00 24.41 H new ATOM 0 HA TYR A 16 1.791 2.803 -12.602 1.00 70.15 H new ATOM 0 HB2 TYR A 16 3.912 4.019 -10.783 1.00 13.22 H new ATOM 0 HB3 TYR A 16 4.021 2.410 -11.468 1.00 13.22 H new ATOM 0 HD1 TYR A 16 4.381 2.109 -13.923 1.00 24.12 H new ATOM 0 HD2 TYR A 16 4.262 6.027 -12.217 1.00 55.24 H new ATOM 0 HE1 TYR A 16 5.343 3.038 -15.979 1.00 60.11 H new ATOM 0 HE2 TYR A 16 5.231 6.942 -14.277 1.00 24.20 H new ATOM 0 HH TYR A 16 5.992 6.534 -16.311 1.00 15.52 H new ATOM 276 N SER A 17 1.216 1.266 -10.711 1.00 61.22 N ATOM 277 CA SER A 17 0.747 0.352 -9.673 1.00 74.31 C ATOM 278 C SER A 17 1.949 -0.363 -9.036 1.00 63.53 C ATOM 279 O SER A 17 2.423 -1.376 -9.557 1.00 24.53 O ATOM 280 CB SER A 17 -0.253 -0.647 -10.298 1.00 0.45 C ATOM 281 OG SER A 17 0.266 -1.240 -11.476 1.00 74.13 O ATOM 0 H SER A 17 1.280 0.835 -11.633 1.00 61.22 H new ATOM 0 HA SER A 17 0.233 0.900 -8.883 1.00 74.31 H new ATOM 0 HB2 SER A 17 -0.491 -1.425 -9.573 1.00 0.45 H new ATOM 0 HB3 SER A 17 -1.185 -0.132 -10.530 1.00 0.45 H new ATOM 0 HG SER A 17 1.185 -1.538 -11.314 1.00 74.13 H new ATOM 287 N TYR A 18 2.459 0.195 -7.927 1.00 21.01 N ATOM 288 CA TYR A 18 3.633 -0.345 -7.215 1.00 23.32 C ATOM 289 C TYR A 18 3.218 -1.505 -6.300 1.00 3.35 C ATOM 290 O TYR A 18 2.112 -1.480 -5.741 1.00 32.23 O ATOM 291 CB TYR A 18 4.306 0.760 -6.373 1.00 44.12 C ATOM 292 CG TYR A 18 4.673 2.023 -7.159 1.00 30.24 C ATOM 293 CD1 TYR A 18 5.890 2.136 -7.834 1.00 75.23 C ATOM 294 CD2 TYR A 18 3.797 3.110 -7.217 1.00 52.12 C ATOM 295 CE1 TYR A 18 6.214 3.281 -8.536 1.00 33.21 C ATOM 296 CE2 TYR A 18 4.122 4.248 -7.916 1.00 22.33 C ATOM 297 CZ TYR A 18 5.327 4.334 -8.570 1.00 21.11 C ATOM 298 OH TYR A 18 5.639 5.477 -9.271 1.00 61.10 O ATOM 0 H TYR A 18 2.070 1.034 -7.497 1.00 21.01 H new ATOM 0 HA TYR A 18 4.342 -0.712 -7.957 1.00 23.32 H new ATOM 0 HB2 TYR A 18 3.637 1.036 -5.558 1.00 44.12 H new ATOM 0 HB3 TYR A 18 5.210 0.354 -5.920 1.00 44.12 H new ATOM 0 HD1 TYR A 18 6.590 1.314 -7.807 1.00 75.23 H new ATOM 0 HD2 TYR A 18 2.848 3.055 -6.704 1.00 52.12 H new ATOM 0 HE1 TYR A 18 7.158 3.350 -9.056 1.00 33.21 H new ATOM 0 HE2 TYR A 18 3.429 5.076 -7.951 1.00 22.33 H new ATOM 0 HH TYR A 18 6.218 5.249 -10.028 1.00 61.10 H new ATOM 308 N ASP A 19 4.091 -2.524 -6.145 1.00 31.11 N ATOM 309 CA ASP A 19 3.818 -3.640 -5.228 1.00 33.15 C ATOM 310 C ASP A 19 3.920 -3.143 -3.777 1.00 73.52 C ATOM 311 O ASP A 19 4.960 -2.636 -3.347 1.00 2.22 O ATOM 312 CB ASP A 19 4.722 -4.880 -5.496 1.00 71.15 C ATOM 313 CG ASP A 19 6.244 -4.644 -5.401 1.00 54.53 C ATOM 314 OD1 ASP A 19 6.808 -3.991 -6.301 1.00 14.24 O ATOM 315 OD2 ASP A 19 6.887 -5.149 -4.449 1.00 54.21 O ATOM 0 H ASP A 19 4.980 -2.593 -6.640 1.00 31.11 H new ATOM 0 HA ASP A 19 2.802 -3.990 -5.409 1.00 33.15 H new ATOM 0 HB2 ASP A 19 4.451 -5.662 -4.786 1.00 71.15 H new ATOM 0 HB3 ASP A 19 4.495 -5.261 -6.492 1.00 71.15 H new ATOM 320 N VAL A 20 2.803 -3.247 -3.046 1.00 60.11 N ATOM 321 CA VAL A 20 2.675 -2.711 -1.683 1.00 15.44 C ATOM 322 C VAL A 20 2.771 -3.863 -0.660 1.00 44.12 C ATOM 323 O VAL A 20 2.076 -4.880 -0.762 1.00 51.32 O ATOM 324 CB VAL A 20 1.339 -1.883 -1.523 1.00 41.53 C ATOM 325 CG1 VAL A 20 1.401 -0.551 -2.309 1.00 50.11 C ATOM 326 CG2 VAL A 20 0.111 -2.702 -1.974 1.00 31.31 C ATOM 0 H VAL A 20 1.958 -3.707 -3.384 1.00 60.11 H new ATOM 0 HA VAL A 20 3.495 -2.020 -1.491 1.00 15.44 H new ATOM 0 HB VAL A 20 1.233 -1.655 -0.462 1.00 41.53 H new ATOM 0 HG11 VAL A 20 0.466 -0.007 -2.177 1.00 50.11 H new ATOM 0 HG12 VAL A 20 2.228 0.053 -1.936 1.00 50.11 H new ATOM 0 HG13 VAL A 20 1.553 -0.760 -3.368 1.00 50.11 H new ATOM 0 HG21 VAL A 20 -0.791 -2.103 -1.851 1.00 31.31 H new ATOM 0 HG22 VAL A 20 0.223 -2.978 -3.023 1.00 31.31 H new ATOM 0 HG23 VAL A 20 0.033 -3.604 -1.368 1.00 31.31 H new ATOM 336 N GLN A 21 3.686 -3.686 0.302 1.00 53.43 N ATOM 337 CA GLN A 21 4.075 -4.704 1.298 1.00 12.44 C ATOM 338 C GLN A 21 3.851 -4.160 2.715 1.00 54.23 C ATOM 339 O GLN A 21 3.346 -3.052 2.879 1.00 31.52 O ATOM 340 CB GLN A 21 5.563 -5.111 1.075 1.00 62.44 C ATOM 341 CG GLN A 21 5.831 -5.829 -0.273 1.00 33.12 C ATOM 342 CD GLN A 21 7.312 -6.169 -0.518 1.00 4.02 C ATOM 343 OE1 GLN A 21 8.082 -6.398 0.419 1.00 41.40 O ATOM 344 NE2 GLN A 21 7.718 -6.230 -1.778 1.00 71.12 N ATOM 0 H GLN A 21 4.192 -2.808 0.416 1.00 53.43 H new ATOM 0 HA GLN A 21 3.456 -5.593 1.178 1.00 12.44 H new ATOM 0 HB2 GLN A 21 6.184 -4.217 1.127 1.00 62.44 H new ATOM 0 HB3 GLN A 21 5.875 -5.764 1.890 1.00 62.44 H new ATOM 0 HG2 GLN A 21 5.248 -6.749 -0.305 1.00 33.12 H new ATOM 0 HG3 GLN A 21 5.475 -5.197 -1.087 1.00 33.12 H new ATOM 0 HE21 GLN A 21 7.062 -6.036 -2.535 1.00 71.12 H new ATOM 0 HE22 GLN A 21 8.686 -6.471 -1.991 1.00 71.12 H new ATOM 353 N PHE A 22 4.193 -4.952 3.741 1.00 64.52 N ATOM 354 CA PHE A 22 3.956 -4.576 5.153 1.00 13.12 C ATOM 355 C PHE A 22 5.265 -4.548 5.959 1.00 50.41 C ATOM 356 O PHE A 22 6.157 -5.377 5.759 1.00 4.22 O ATOM 357 CB PHE A 22 2.932 -5.546 5.798 1.00 55.13 C ATOM 358 CG PHE A 22 1.506 -5.348 5.268 1.00 43.33 C ATOM 359 CD1 PHE A 22 0.777 -4.198 5.604 1.00 53.04 C ATOM 360 CD2 PHE A 22 0.894 -6.291 4.439 1.00 63.44 C ATOM 361 CE1 PHE A 22 -0.507 -4.004 5.135 1.00 55.32 C ATOM 362 CE2 PHE A 22 -0.394 -6.093 3.973 1.00 11.44 C ATOM 363 CZ PHE A 22 -1.089 -4.947 4.319 1.00 53.01 C ATOM 0 H PHE A 22 4.637 -5.863 3.624 1.00 64.52 H new ATOM 0 HA PHE A 22 3.544 -3.567 5.169 1.00 13.12 H new ATOM 0 HB2 PHE A 22 3.244 -6.573 5.611 1.00 55.13 H new ATOM 0 HB3 PHE A 22 2.935 -5.404 6.879 1.00 55.13 H new ATOM 0 HD1 PHE A 22 1.228 -3.451 6.241 1.00 53.04 H new ATOM 0 HD2 PHE A 22 1.432 -7.185 4.159 1.00 63.44 H new ATOM 0 HE1 PHE A 22 -1.054 -3.114 5.408 1.00 55.32 H new ATOM 0 HE2 PHE A 22 -0.858 -6.834 3.338 1.00 11.44 H new ATOM 0 HZ PHE A 22 -2.091 -4.792 3.947 1.00 53.01 H new ATOM 373 N ARG A 23 5.353 -3.567 6.866 1.00 5.05 N ATOM 374 CA ARG A 23 6.433 -3.427 7.848 1.00 52.32 C ATOM 375 C ARG A 23 5.816 -3.480 9.255 1.00 62.11 C ATOM 376 O ARG A 23 4.864 -2.758 9.543 1.00 65.31 O ATOM 377 CB ARG A 23 7.215 -2.094 7.626 1.00 35.52 C ATOM 378 CG ARG A 23 8.137 -1.683 8.806 1.00 61.10 C ATOM 379 CD ARG A 23 8.881 -0.357 8.581 1.00 11.13 C ATOM 380 NE ARG A 23 9.998 -0.479 7.626 1.00 5.34 N ATOM 381 CZ ARG A 23 10.848 0.514 7.284 1.00 73.22 C ATOM 382 NH1 ARG A 23 10.736 1.740 7.805 1.00 74.04 N ATOM 383 NH2 ARG A 23 11.811 0.265 6.410 1.00 32.32 N ATOM 0 H ARG A 23 4.654 -2.828 6.938 1.00 5.05 H new ATOM 0 HA ARG A 23 7.149 -4.241 7.732 1.00 52.32 H new ATOM 0 HB2 ARG A 23 7.820 -2.189 6.725 1.00 35.52 H new ATOM 0 HB3 ARG A 23 6.498 -1.293 7.446 1.00 35.52 H new ATOM 0 HG2 ARG A 23 7.537 -1.603 9.712 1.00 61.10 H new ATOM 0 HG3 ARG A 23 8.867 -2.474 8.976 1.00 61.10 H new ATOM 0 HD2 ARG A 23 8.177 0.391 8.215 1.00 11.13 H new ATOM 0 HD3 ARG A 23 9.264 0.005 9.535 1.00 11.13 H new ATOM 0 HE ARG A 23 10.141 -1.389 7.187 1.00 5.34 H new ATOM 0 HH11 ARG A 23 9.996 1.943 8.477 1.00 74.04 H new ATOM 0 HH12 ARG A 23 11.391 2.473 7.530 1.00 74.04 H new ATOM 0 HH21 ARG A 23 11.904 -0.666 6.005 1.00 32.32 H new ATOM 0 HH22 ARG A 23 12.460 1.005 6.142 1.00 32.32 H new ATOM 397 N ARG A 24 6.377 -4.334 10.114 1.00 50.02 N ATOM 398 CA ARG A 24 5.899 -4.547 11.494 1.00 2.43 C ATOM 399 C ARG A 24 7.034 -4.188 12.457 1.00 53.14 C ATOM 400 O ARG A 24 7.959 -4.980 12.651 1.00 24.43 O ATOM 401 CB ARG A 24 5.435 -6.023 11.698 1.00 23.24 C ATOM 402 CG ARG A 24 4.164 -6.416 10.902 1.00 13.14 C ATOM 403 CD ARG A 24 3.874 -7.931 10.932 1.00 14.34 C ATOM 404 NE ARG A 24 4.923 -8.701 10.235 1.00 43.33 N ATOM 405 CZ ARG A 24 5.100 -10.034 10.302 1.00 61.24 C ATOM 406 NH1 ARG A 24 4.301 -10.809 11.041 1.00 12.22 N ATOM 407 NH2 ARG A 24 6.108 -10.586 9.633 1.00 30.32 N ATOM 0 H ARG A 24 7.186 -4.907 9.874 1.00 50.02 H new ATOM 0 HA ARG A 24 5.037 -3.910 11.691 1.00 2.43 H new ATOM 0 HB2 ARG A 24 6.248 -6.689 11.410 1.00 23.24 H new ATOM 0 HB3 ARG A 24 5.249 -6.188 12.759 1.00 23.24 H new ATOM 0 HG2 ARG A 24 3.307 -5.880 11.310 1.00 13.14 H new ATOM 0 HG3 ARG A 24 4.277 -6.094 9.867 1.00 13.14 H new ATOM 0 HD2 ARG A 24 3.802 -8.267 11.966 1.00 14.34 H new ATOM 0 HD3 ARG A 24 2.908 -8.126 10.465 1.00 14.34 H new ATOM 0 HE ARG A 24 5.572 -8.176 9.650 1.00 43.33 H new ATOM 0 HH11 ARG A 24 3.535 -10.393 11.571 1.00 12.22 H new ATOM 0 HH12 ARG A 24 4.457 -11.817 11.075 1.00 12.22 H new ATOM 0 HH21 ARG A 24 6.734 -10.001 9.079 1.00 30.32 H new ATOM 0 HH22 ARG A 24 6.255 -11.594 9.674 1.00 30.32 H new ATOM 421 N THR A 25 6.981 -2.973 13.017 1.00 61.54 N ATOM 422 CA THR A 25 7.997 -2.482 13.968 1.00 33.54 C ATOM 423 C THR A 25 7.326 -1.675 15.089 1.00 11.13 C ATOM 424 O THR A 25 6.420 -0.869 14.829 1.00 2.10 O ATOM 425 CB THR A 25 9.118 -1.638 13.251 1.00 44.11 C ATOM 426 OG1 THR A 25 10.056 -1.107 14.202 1.00 75.21 O ATOM 427 CG2 THR A 25 8.552 -0.489 12.415 1.00 25.12 C ATOM 0 H THR A 25 6.237 -2.302 12.827 1.00 61.54 H new ATOM 0 HA THR A 25 8.490 -3.349 14.408 1.00 33.54 H new ATOM 0 HB THR A 25 9.625 -2.329 12.578 1.00 44.11 H new ATOM 0 HG1 THR A 25 10.742 -0.589 13.731 1.00 75.21 H new ATOM 0 HG21 THR A 25 9.370 0.057 11.945 1.00 25.12 H new ATOM 0 HG22 THR A 25 7.893 -0.890 11.644 1.00 25.12 H new ATOM 0 HG23 THR A 25 7.988 0.186 13.059 1.00 25.12 H new ATOM 435 N GLN A 26 7.766 -1.952 16.340 1.00 41.11 N ATOM 436 CA GLN A 26 7.280 -1.281 17.570 1.00 33.04 C ATOM 437 C GLN A 26 5.776 -1.554 17.802 1.00 22.04 C ATOM 438 O GLN A 26 5.068 -0.737 18.405 1.00 15.23 O ATOM 439 CB GLN A 26 7.605 0.251 17.529 1.00 55.15 C ATOM 440 CG GLN A 26 9.107 0.586 17.341 1.00 11.22 C ATOM 441 CD GLN A 26 10.013 0.238 18.537 1.00 13.03 C ATOM 442 OE1 GLN A 26 9.754 -0.680 19.322 1.00 63.42 O ATOM 443 NE2 GLN A 26 11.106 0.967 18.668 1.00 72.44 N ATOM 0 H GLN A 26 8.479 -2.658 16.526 1.00 41.11 H new ATOM 0 HA GLN A 26 7.810 -1.703 18.424 1.00 33.04 H new ATOM 0 HB2 GLN A 26 7.040 0.708 16.717 1.00 55.15 H new ATOM 0 HB3 GLN A 26 7.257 0.708 18.455 1.00 55.15 H new ATOM 0 HG2 GLN A 26 9.474 0.056 16.462 1.00 11.22 H new ATOM 0 HG3 GLN A 26 9.201 1.652 17.133 1.00 11.22 H new ATOM 0 HE21 GLN A 26 11.299 1.720 18.008 1.00 72.44 H new ATOM 0 HE22 GLN A 26 11.757 0.777 19.430 1.00 72.44 H new ATOM 452 N GLY A 27 5.317 -2.740 17.342 1.00 11.14 N ATOM 453 CA GLY A 27 3.907 -3.144 17.432 1.00 62.30 C ATOM 454 C GLY A 27 2.993 -2.407 16.459 1.00 1.22 C ATOM 455 O GLY A 27 1.770 -2.555 16.518 1.00 1.21 O ATOM 0 H GLY A 27 5.916 -3.437 16.900 1.00 11.14 H new ATOM 0 HA2 GLY A 27 3.833 -4.215 17.245 1.00 62.30 H new ATOM 0 HA3 GLY A 27 3.554 -2.973 18.449 1.00 62.30 H new ATOM 459 N LYS A 28 3.589 -1.611 15.569 1.00 73.03 N ATOM 460 CA LYS A 28 2.867 -0.818 14.567 1.00 44.42 C ATOM 461 C LYS A 28 3.006 -1.459 13.185 1.00 3.33 C ATOM 462 O LYS A 28 3.975 -2.185 12.921 1.00 33.10 O ATOM 463 CB LYS A 28 3.446 0.614 14.556 1.00 25.33 C ATOM 464 CG LYS A 28 3.340 1.338 15.908 1.00 3.52 C ATOM 465 CD LYS A 28 4.145 2.652 15.932 1.00 33.12 C ATOM 466 CE LYS A 28 3.880 3.458 17.205 1.00 71.31 C ATOM 467 NZ LYS A 28 2.449 3.867 17.309 1.00 64.05 N ATOM 0 H LYS A 28 4.601 -1.496 15.522 1.00 73.03 H new ATOM 0 HA LYS A 28 1.807 -0.782 14.819 1.00 44.42 H new ATOM 0 HB2 LYS A 28 4.494 0.570 14.260 1.00 25.33 H new ATOM 0 HB3 LYS A 28 2.925 1.200 13.799 1.00 25.33 H new ATOM 0 HG2 LYS A 28 2.293 1.552 16.122 1.00 3.52 H new ATOM 0 HG3 LYS A 28 3.699 0.680 16.699 1.00 3.52 H new ATOM 0 HD2 LYS A 28 5.209 2.428 15.859 1.00 33.12 H new ATOM 0 HD3 LYS A 28 3.885 3.253 15.061 1.00 33.12 H new ATOM 0 HE2 LYS A 28 4.153 2.863 18.076 1.00 71.31 H new ATOM 0 HE3 LYS A 28 4.514 4.345 17.213 1.00 71.31 H new ATOM 0 HZ1 LYS A 28 2.357 4.634 18.005 1.00 64.05 H new ATOM 0 HZ2 LYS A 28 2.115 4.199 16.382 1.00 64.05 H new ATOM 0 HZ3 LYS A 28 1.877 3.053 17.612 1.00 64.05 H new ATOM 481 N ILE A 29 2.041 -1.167 12.304 1.00 13.01 N ATOM 482 CA ILE A 29 2.022 -1.675 10.925 1.00 43.14 C ATOM 483 C ILE A 29 2.167 -0.490 9.942 1.00 74.30 C ATOM 484 O ILE A 29 1.669 0.615 10.204 1.00 14.41 O ATOM 485 CB ILE A 29 0.712 -2.517 10.666 1.00 34.41 C ATOM 486 CG1 ILE A 29 0.723 -3.214 9.266 1.00 21.35 C ATOM 487 CG2 ILE A 29 -0.559 -1.666 10.849 1.00 71.50 C ATOM 488 CD1 ILE A 29 1.826 -4.247 9.089 1.00 22.31 C ATOM 0 H ILE A 29 1.246 -0.568 12.528 1.00 13.01 H new ATOM 0 HA ILE A 29 2.864 -2.348 10.764 1.00 43.14 H new ATOM 0 HB ILE A 29 0.697 -3.305 11.419 1.00 34.41 H new ATOM 0 HG12 ILE A 29 -0.241 -3.698 9.107 1.00 21.35 H new ATOM 0 HG13 ILE A 29 0.828 -2.451 8.494 1.00 21.35 H new ATOM 0 HG21 ILE A 29 -1.439 -2.281 10.662 1.00 71.50 H new ATOM 0 HG22 ILE A 29 -0.595 -1.281 11.868 1.00 71.50 H new ATOM 0 HG23 ILE A 29 -0.543 -0.833 10.147 1.00 71.50 H new ATOM 0 HD11 ILE A 29 1.761 -4.681 8.091 1.00 22.31 H new ATOM 0 HD12 ILE A 29 2.797 -3.768 9.214 1.00 22.31 H new ATOM 0 HD13 ILE A 29 1.711 -5.033 9.835 1.00 22.31 H new ATOM 500 N PHE A 30 2.916 -0.712 8.846 1.00 50.24 N ATOM 501 CA PHE A 30 3.251 0.322 7.839 1.00 71.52 C ATOM 502 C PHE A 30 3.070 -0.279 6.437 1.00 0.32 C ATOM 503 O PHE A 30 3.506 -1.406 6.201 1.00 73.21 O ATOM 504 CB PHE A 30 4.728 0.810 8.011 1.00 50.10 C ATOM 505 CG PHE A 30 5.046 1.453 9.367 1.00 24.22 C ATOM 506 CD1 PHE A 30 5.319 0.670 10.493 1.00 15.02 C ATOM 507 CD2 PHE A 30 5.062 2.838 9.523 1.00 71.13 C ATOM 508 CE1 PHE A 30 5.585 1.252 11.718 1.00 4.33 C ATOM 509 CE2 PHE A 30 5.326 3.418 10.754 1.00 54.32 C ATOM 510 CZ PHE A 30 5.590 2.625 11.849 1.00 1.11 C ATOM 0 H PHE A 30 3.313 -1.626 8.629 1.00 50.24 H new ATOM 0 HA PHE A 30 2.590 1.178 7.975 1.00 71.52 H new ATOM 0 HB2 PHE A 30 5.395 -0.040 7.864 1.00 50.10 H new ATOM 0 HB3 PHE A 30 4.951 1.530 7.224 1.00 50.10 H new ATOM 0 HD1 PHE A 30 5.322 -0.406 10.404 1.00 15.02 H new ATOM 0 HD2 PHE A 30 4.865 3.470 8.670 1.00 71.13 H new ATOM 0 HE1 PHE A 30 5.790 0.629 12.576 1.00 4.33 H new ATOM 0 HE2 PHE A 30 5.325 4.493 10.855 1.00 54.32 H new ATOM 0 HZ PHE A 30 5.800 3.077 12.807 1.00 1.11 H new ATOM 520 N LEU A 31 2.437 0.460 5.505 1.00 24.03 N ATOM 521 CA LEU A 31 2.259 -0.010 4.113 1.00 24.24 C ATOM 522 C LEU A 31 3.416 0.507 3.231 1.00 5.30 C ATOM 523 O LEU A 31 3.473 1.688 2.899 1.00 23.13 O ATOM 524 CB LEU A 31 0.890 0.430 3.512 1.00 2.22 C ATOM 525 CG LEU A 31 0.573 -0.177 2.101 1.00 62.01 C ATOM 526 CD1 LEU A 31 0.449 -1.707 2.179 1.00 12.21 C ATOM 527 CD2 LEU A 31 -0.684 0.454 1.467 1.00 34.32 C ATOM 0 H LEU A 31 2.041 1.382 5.688 1.00 24.03 H new ATOM 0 HA LEU A 31 2.269 -1.100 4.132 1.00 24.24 H new ATOM 0 HB2 LEU A 31 0.096 0.145 4.203 1.00 2.22 H new ATOM 0 HB3 LEU A 31 0.873 1.517 3.438 1.00 2.22 H new ATOM 0 HG LEU A 31 1.412 0.064 1.448 1.00 62.01 H new ATOM 0 HD11 LEU A 31 0.229 -2.105 1.188 1.00 12.21 H new ATOM 0 HD12 LEU A 31 1.386 -2.130 2.540 1.00 12.21 H new ATOM 0 HD13 LEU A 31 -0.356 -1.972 2.864 1.00 12.21 H new ATOM 0 HD21 LEU A 31 -0.865 0.003 0.491 1.00 34.32 H new ATOM 0 HD22 LEU A 31 -1.544 0.279 2.113 1.00 34.32 H new ATOM 0 HD23 LEU A 31 -0.532 1.527 1.348 1.00 34.32 H new ATOM 539 N GLN A 32 4.320 -0.397 2.854 1.00 24.53 N ATOM 540 CA GLN A 32 5.510 -0.078 2.054 1.00 14.01 C ATOM 541 C GLN A 32 5.224 -0.134 0.544 1.00 64.42 C ATOM 542 O GLN A 32 5.214 -1.210 -0.062 1.00 40.31 O ATOM 543 CB GLN A 32 6.646 -1.060 2.449 1.00 53.10 C ATOM 544 CG GLN A 32 7.290 -0.735 3.809 1.00 2.04 C ATOM 545 CD GLN A 32 8.324 0.395 3.751 1.00 75.10 C ATOM 546 OE1 GLN A 32 8.275 1.284 2.897 1.00 62.12 O ATOM 547 NE2 GLN A 32 9.256 0.380 4.676 1.00 5.23 N ATOM 0 H GLN A 32 4.249 -1.385 3.097 1.00 24.53 H new ATOM 0 HA GLN A 32 5.816 0.947 2.265 1.00 14.01 H new ATOM 0 HB2 GLN A 32 6.246 -2.074 2.478 1.00 53.10 H new ATOM 0 HB3 GLN A 32 7.416 -1.043 1.677 1.00 53.10 H new ATOM 0 HG2 GLN A 32 6.506 -0.461 4.515 1.00 2.04 H new ATOM 0 HG3 GLN A 32 7.769 -1.634 4.197 1.00 2.04 H new ATOM 0 HE21 GLN A 32 9.273 -0.367 5.370 1.00 5.23 H new ATOM 0 HE22 GLN A 32 9.962 1.115 4.700 1.00 5.23 H new ATOM 556 N VAL A 33 4.980 1.045 -0.041 1.00 22.50 N ATOM 557 CA VAL A 33 4.900 1.226 -1.495 1.00 23.04 C ATOM 558 C VAL A 33 6.329 1.135 -2.076 1.00 24.04 C ATOM 559 O VAL A 33 7.134 2.065 -1.905 1.00 42.23 O ATOM 560 CB VAL A 33 4.240 2.614 -1.856 1.00 73.33 C ATOM 561 CG1 VAL A 33 4.137 2.834 -3.382 1.00 24.14 C ATOM 562 CG2 VAL A 33 2.855 2.757 -1.186 1.00 34.34 C ATOM 0 H VAL A 33 4.832 1.906 0.485 1.00 22.50 H new ATOM 0 HA VAL A 33 4.272 0.447 -1.927 1.00 23.04 H new ATOM 0 HB VAL A 33 4.897 3.391 -1.464 1.00 73.33 H new ATOM 0 HG11 VAL A 33 3.677 3.802 -3.580 1.00 24.14 H new ATOM 0 HG12 VAL A 33 5.134 2.810 -3.821 1.00 24.14 H new ATOM 0 HG13 VAL A 33 3.527 2.045 -3.823 1.00 24.14 H new ATOM 0 HG21 VAL A 33 2.421 3.721 -1.450 1.00 34.34 H new ATOM 0 HG22 VAL A 33 2.200 1.957 -1.531 1.00 34.34 H new ATOM 0 HG23 VAL A 33 2.966 2.693 -0.104 1.00 34.34 H new ATOM 572 N MET A 34 6.646 -0.014 -2.703 1.00 23.34 N ATOM 573 CA MET A 34 7.981 -0.274 -3.285 1.00 74.43 C ATOM 574 C MET A 34 8.209 0.574 -4.553 1.00 14.23 C ATOM 575 O MET A 34 7.275 1.160 -5.102 1.00 70.01 O ATOM 576 CB MET A 34 8.137 -1.785 -3.619 1.00 11.23 C ATOM 577 CG MET A 34 8.039 -2.753 -2.414 1.00 25.53 C ATOM 578 SD MET A 34 9.571 -2.899 -1.452 1.00 50.52 S ATOM 579 CE MET A 34 9.404 -1.608 -0.221 1.00 14.14 C ATOM 0 H MET A 34 5.989 -0.786 -2.821 1.00 23.34 H new ATOM 0 HA MET A 34 8.732 0.008 -2.547 1.00 74.43 H new ATOM 0 HB2 MET A 34 7.371 -2.059 -4.345 1.00 11.23 H new ATOM 0 HB3 MET A 34 9.102 -1.933 -4.103 1.00 11.23 H new ATOM 0 HG2 MET A 34 7.240 -2.415 -1.755 1.00 25.53 H new ATOM 0 HG3 MET A 34 7.756 -3.741 -2.778 1.00 25.53 H new ATOM 0 HE1 MET A 34 10.296 -0.981 -0.228 1.00 14.14 H new ATOM 0 HE2 MET A 34 8.530 -0.998 -0.450 1.00 14.14 H new ATOM 0 HE3 MET A 34 9.285 -2.058 0.764 1.00 14.14 H new ATOM 589 N TRP A 35 9.466 0.616 -5.004 1.00 24.31 N ATOM 590 CA TRP A 35 9.883 1.364 -6.218 1.00 71.45 C ATOM 591 C TRP A 35 9.542 0.597 -7.508 1.00 14.04 C ATOM 592 O TRP A 35 9.505 1.183 -8.597 1.00 14.22 O ATOM 593 CB TRP A 35 11.400 1.697 -6.138 1.00 4.14 C ATOM 594 CG TRP A 35 12.275 0.568 -5.618 1.00 13.45 C ATOM 595 CD1 TRP A 35 12.848 -0.445 -6.336 1.00 11.20 C ATOM 596 CD2 TRP A 35 12.649 0.343 -4.246 1.00 52.41 C ATOM 597 NE1 TRP A 35 13.560 -1.268 -5.498 1.00 31.24 N ATOM 598 CE2 TRP A 35 13.459 -0.801 -4.216 1.00 51.54 C ATOM 599 CE3 TRP A 35 12.381 1.011 -3.038 1.00 43.50 C ATOM 600 CZ2 TRP A 35 13.999 -1.301 -3.033 1.00 33.04 C ATOM 601 CZ3 TRP A 35 12.923 0.518 -1.868 1.00 23.55 C ATOM 602 CH2 TRP A 35 13.723 -0.628 -1.873 1.00 54.21 C ATOM 0 H TRP A 35 10.236 0.132 -4.542 1.00 24.31 H new ATOM 0 HA TRP A 35 9.322 2.298 -6.254 1.00 71.45 H new ATOM 0 HB2 TRP A 35 11.748 1.979 -7.132 1.00 4.14 H new ATOM 0 HB3 TRP A 35 11.533 2.567 -5.494 1.00 4.14 H new ATOM 0 HD1 TRP A 35 12.755 -0.578 -7.404 1.00 11.20 H new ATOM 0 HE1 TRP A 35 14.081 -2.096 -5.786 1.00 31.24 H new ATOM 0 HE3 TRP A 35 11.761 1.895 -3.026 1.00 43.50 H new ATOM 0 HZ2 TRP A 35 14.614 -2.189 -3.031 1.00 33.04 H new ATOM 0 HZ3 TRP A 35 12.726 1.025 -0.935 1.00 23.55 H new ATOM 0 HH2 TRP A 35 14.132 -0.991 -0.942 1.00 54.21 H new ATOM 613 N LYS A 36 9.300 -0.713 -7.369 1.00 54.15 N ATOM 614 CA LYS A 36 8.909 -1.578 -8.492 1.00 61.24 C ATOM 615 C LYS A 36 7.393 -1.505 -8.695 1.00 2.04 C ATOM 616 O LYS A 36 6.635 -1.369 -7.735 1.00 4.44 O ATOM 617 CB LYS A 36 9.357 -3.031 -8.209 1.00 3.40 C ATOM 618 CG LYS A 36 10.891 -3.206 -8.084 1.00 43.32 C ATOM 619 CD LYS A 36 11.312 -4.526 -7.387 1.00 1.23 C ATOM 620 CE LYS A 36 11.004 -4.540 -5.869 1.00 24.31 C ATOM 621 NZ LYS A 36 9.559 -4.758 -5.546 1.00 54.21 N ATOM 0 H LYS A 36 9.369 -1.203 -6.477 1.00 54.15 H new ATOM 0 HA LYS A 36 9.396 -1.237 -9.405 1.00 61.24 H new ATOM 0 HB2 LYS A 36 8.887 -3.372 -7.287 1.00 3.40 H new ATOM 0 HB3 LYS A 36 8.993 -3.675 -9.009 1.00 3.40 H new ATOM 0 HG2 LYS A 36 11.334 -3.174 -9.079 1.00 43.32 H new ATOM 0 HG3 LYS A 36 11.300 -2.364 -7.526 1.00 43.32 H new ATOM 0 HD2 LYS A 36 10.798 -5.361 -7.863 1.00 1.23 H new ATOM 0 HD3 LYS A 36 12.380 -4.683 -7.536 1.00 1.23 H new ATOM 0 HE2 LYS A 36 11.594 -5.324 -5.396 1.00 24.31 H new ATOM 0 HE3 LYS A 36 11.325 -3.593 -5.434 1.00 24.31 H new ATOM 0 HZ1 LYS A 36 9.478 -5.417 -4.745 1.00 54.21 H new ATOM 0 HZ2 LYS A 36 9.119 -3.850 -5.293 1.00 54.21 H new ATOM 0 HZ3 LYS A 36 9.075 -5.159 -6.375 1.00 54.21 H new ATOM 635 N TYR A 37 6.974 -1.607 -9.956 1.00 11.54 N ATOM 636 CA TYR A 37 5.563 -1.505 -10.371 1.00 63.31 C ATOM 637 C TYR A 37 5.266 -2.570 -11.432 1.00 54.14 C ATOM 638 O TYR A 37 6.190 -3.058 -12.103 1.00 1.42 O ATOM 639 CB TYR A 37 5.252 -0.071 -10.896 1.00 25.32 C ATOM 640 CG TYR A 37 6.319 0.492 -11.842 1.00 53.31 C ATOM 641 CD1 TYR A 37 6.371 0.120 -13.184 1.00 23.11 C ATOM 642 CD2 TYR A 37 7.297 1.379 -11.379 1.00 3.05 C ATOM 643 CE1 TYR A 37 7.348 0.607 -14.022 1.00 31.13 C ATOM 644 CE2 TYR A 37 8.278 1.863 -12.215 1.00 51.55 C ATOM 645 CZ TYR A 37 8.301 1.477 -13.530 1.00 44.02 C ATOM 646 OH TYR A 37 9.294 1.945 -14.357 1.00 12.23 O ATOM 0 H TYR A 37 7.612 -1.766 -10.736 1.00 11.54 H new ATOM 0 HA TYR A 37 4.916 -1.684 -9.512 1.00 63.31 H new ATOM 0 HB2 TYR A 37 4.293 -0.085 -11.414 1.00 25.32 H new ATOM 0 HB3 TYR A 37 5.145 0.601 -10.045 1.00 25.32 H new ATOM 0 HD1 TYR A 37 5.631 -0.563 -13.574 1.00 23.11 H new ATOM 0 HD2 TYR A 37 7.282 1.690 -10.345 1.00 3.05 H new ATOM 0 HE1 TYR A 37 7.369 0.310 -15.060 1.00 31.13 H new ATOM 0 HE2 TYR A 37 9.026 2.544 -11.836 1.00 51.55 H new ATOM 0 HH TYR A 37 9.881 2.548 -13.855 1.00 12.23 H new ATOM 656 N LEU A 38 3.969 -2.892 -11.595 1.00 4.42 N ATOM 657 CA LEU A 38 3.492 -3.994 -12.455 1.00 60.23 C ATOM 658 C LEU A 38 3.943 -3.845 -13.925 1.00 50.24 C ATOM 659 O LEU A 38 4.105 -4.841 -14.634 1.00 50.41 O ATOM 660 CB LEU A 38 1.948 -4.083 -12.380 1.00 15.31 C ATOM 661 CG LEU A 38 1.282 -5.231 -13.203 1.00 64.23 C ATOM 662 CD1 LEU A 38 1.712 -6.623 -12.699 1.00 14.50 C ATOM 663 CD2 LEU A 38 -0.249 -5.083 -13.221 1.00 42.41 C ATOM 0 H LEU A 38 3.214 -2.389 -11.129 1.00 4.42 H new ATOM 0 HA LEU A 38 3.940 -4.914 -12.079 1.00 60.23 H new ATOM 0 HB2 LEU A 38 1.662 -4.201 -11.335 1.00 15.31 H new ATOM 0 HB3 LEU A 38 1.533 -3.134 -12.719 1.00 15.31 H new ATOM 0 HG LEU A 38 1.636 -5.144 -14.230 1.00 64.23 H new ATOM 0 HD11 LEU A 38 1.226 -7.393 -13.298 1.00 14.50 H new ATOM 0 HD12 LEU A 38 2.794 -6.724 -12.787 1.00 14.50 H new ATOM 0 HD13 LEU A 38 1.420 -6.738 -11.655 1.00 14.50 H new ATOM 0 HD21 LEU A 38 -0.686 -5.896 -13.801 1.00 42.41 H new ATOM 0 HD22 LEU A 38 -0.630 -5.120 -12.200 1.00 42.41 H new ATOM 0 HD23 LEU A 38 -0.517 -4.129 -13.674 1.00 42.41 H new ATOM 675 N GLU A 39 4.207 -2.600 -14.351 1.00 51.54 N ATOM 676 CA GLU A 39 4.528 -2.277 -15.756 1.00 54.30 C ATOM 677 C GLU A 39 6.018 -2.564 -16.103 1.00 72.10 C ATOM 678 O GLU A 39 6.599 -1.908 -16.970 1.00 71.12 O ATOM 679 CB GLU A 39 4.133 -0.795 -16.054 1.00 64.12 C ATOM 680 CG GLU A 39 2.717 -0.385 -15.569 1.00 34.11 C ATOM 681 CD GLU A 39 1.603 -1.370 -15.997 1.00 74.54 C ATOM 682 OE1 GLU A 39 1.224 -1.375 -17.190 1.00 32.42 O ATOM 683 OE2 GLU A 39 1.109 -2.148 -15.145 1.00 72.25 O ATOM 0 H GLU A 39 4.205 -1.787 -13.734 1.00 51.54 H new ATOM 0 HA GLU A 39 3.943 -2.932 -16.402 1.00 54.30 H new ATOM 0 HB2 GLU A 39 4.866 -0.138 -15.586 1.00 64.12 H new ATOM 0 HB3 GLU A 39 4.196 -0.627 -17.129 1.00 64.12 H new ATOM 0 HG2 GLU A 39 2.723 -0.308 -14.482 1.00 34.11 H new ATOM 0 HG3 GLU A 39 2.482 0.606 -15.958 1.00 34.11 H new ATOM 690 N GLN A 40 6.621 -3.556 -15.416 1.00 45.04 N ATOM 691 CA GLN A 40 7.931 -4.138 -15.774 1.00 11.54 C ATOM 692 C GLN A 40 7.716 -5.474 -16.521 1.00 50.34 C ATOM 693 O GLN A 40 6.679 -6.124 -16.343 1.00 1.04 O ATOM 694 CB GLN A 40 8.780 -4.361 -14.486 1.00 21.04 C ATOM 695 CG GLN A 40 9.293 -3.059 -13.827 1.00 54.20 C ATOM 696 CD GLN A 40 10.285 -2.276 -14.708 1.00 22.33 C ATOM 697 OE1 GLN A 40 11.024 -2.853 -15.508 1.00 22.42 O ATOM 698 NE2 GLN A 40 10.337 -0.966 -14.542 1.00 3.31 N ATOM 0 H GLN A 40 6.206 -3.981 -14.586 1.00 45.04 H new ATOM 0 HA GLN A 40 8.469 -3.452 -16.428 1.00 11.54 H new ATOM 0 HB2 GLN A 40 8.180 -4.909 -13.760 1.00 21.04 H new ATOM 0 HB3 GLN A 40 9.635 -4.990 -14.733 1.00 21.04 H new ATOM 0 HG2 GLN A 40 8.442 -2.419 -13.594 1.00 54.20 H new ATOM 0 HG3 GLN A 40 9.775 -3.305 -12.881 1.00 54.20 H new ATOM 0 HE21 GLN A 40 9.715 -0.512 -13.874 1.00 3.31 H new ATOM 0 HE22 GLN A 40 10.999 -0.409 -15.082 1.00 3.31 H new ATOM 707 N ALA A 41 8.705 -5.877 -17.347 1.00 63.14 N ATOM 708 CA ALA A 41 8.641 -7.121 -18.159 1.00 33.33 C ATOM 709 C ALA A 41 8.906 -8.363 -17.286 1.00 30.30 C ATOM 710 O ALA A 41 8.284 -9.413 -17.474 1.00 42.33 O ATOM 711 CB ALA A 41 9.650 -7.058 -19.321 1.00 2.13 C ATOM 0 H ALA A 41 9.571 -5.353 -17.473 1.00 63.14 H new ATOM 0 HA ALA A 41 7.636 -7.204 -18.573 1.00 33.33 H new ATOM 0 HB1 ALA A 41 9.590 -7.976 -19.905 1.00 2.13 H new ATOM 0 HB2 ALA A 41 9.417 -6.206 -19.959 1.00 2.13 H new ATOM 0 HB3 ALA A 41 10.658 -6.947 -18.922 1.00 2.13 H new ATOM 717 N SER A 42 9.852 -8.226 -16.346 1.00 74.44 N ATOM 718 CA SER A 42 10.166 -9.262 -15.346 1.00 35.33 C ATOM 719 C SER A 42 9.747 -8.764 -13.955 1.00 3.01 C ATOM 720 O SER A 42 10.573 -8.293 -13.165 1.00 5.11 O ATOM 721 CB SER A 42 11.672 -9.630 -15.395 1.00 63.54 C ATOM 722 OG SER A 42 12.022 -10.206 -16.650 1.00 32.44 O ATOM 0 H SER A 42 10.426 -7.388 -16.256 1.00 74.44 H new ATOM 0 HA SER A 42 9.608 -10.171 -15.571 1.00 35.33 H new ATOM 0 HB2 SER A 42 12.273 -8.737 -15.222 1.00 63.54 H new ATOM 0 HB3 SER A 42 11.904 -10.331 -14.593 1.00 63.54 H new ATOM 0 HG SER A 42 12.977 -10.427 -16.654 1.00 32.44 H new ATOM 728 N PHE A 43 8.433 -8.793 -13.694 1.00 51.12 N ATOM 729 CA PHE A 43 7.860 -8.433 -12.392 1.00 23.43 C ATOM 730 C PHE A 43 7.687 -9.724 -11.543 1.00 31.44 C ATOM 731 O PHE A 43 7.236 -10.739 -12.078 1.00 2.14 O ATOM 732 CB PHE A 43 6.507 -7.701 -12.625 1.00 33.44 C ATOM 733 CG PHE A 43 5.949 -7.008 -11.390 1.00 50.13 C ATOM 734 CD1 PHE A 43 6.655 -5.970 -10.787 1.00 64.42 C ATOM 735 CD2 PHE A 43 4.738 -7.391 -10.823 1.00 10.20 C ATOM 736 CE1 PHE A 43 6.168 -5.341 -9.661 1.00 31.12 C ATOM 737 CE2 PHE A 43 4.250 -6.760 -9.703 1.00 20.44 C ATOM 738 CZ PHE A 43 4.966 -5.737 -9.118 1.00 32.01 C ATOM 0 H PHE A 43 7.735 -9.069 -14.385 1.00 51.12 H new ATOM 0 HA PHE A 43 8.518 -7.758 -11.845 1.00 23.43 H new ATOM 0 HB2 PHE A 43 6.639 -6.961 -13.414 1.00 33.44 H new ATOM 0 HB3 PHE A 43 5.774 -8.423 -12.985 1.00 33.44 H new ATOM 0 HD1 PHE A 43 7.598 -5.653 -11.208 1.00 64.42 H new ATOM 0 HD2 PHE A 43 4.173 -8.196 -11.269 1.00 10.20 H new ATOM 0 HE1 PHE A 43 6.729 -4.538 -9.205 1.00 31.12 H new ATOM 0 HE2 PHE A 43 3.304 -7.066 -9.281 1.00 20.44 H new ATOM 0 HZ PHE A 43 4.584 -5.247 -8.235 1.00 32.01 H new ATOM 748 N PRO A 44 8.075 -9.722 -10.213 1.00 51.54 N ATOM 749 CA PRO A 44 8.011 -10.918 -9.306 1.00 2.24 C ATOM 750 C PRO A 44 6.677 -11.699 -9.350 1.00 72.25 C ATOM 751 O PRO A 44 6.668 -12.925 -9.191 1.00 23.12 O ATOM 752 CB PRO A 44 8.260 -10.315 -7.886 1.00 33.15 C ATOM 753 CG PRO A 44 8.177 -8.825 -8.070 1.00 70.14 C ATOM 754 CD PRO A 44 8.664 -8.575 -9.473 1.00 41.32 C ATOM 0 HA PRO A 44 8.742 -11.667 -9.612 1.00 2.24 H new ATOM 0 HB2 PRO A 44 7.514 -10.666 -7.173 1.00 33.15 H new ATOM 0 HB3 PRO A 44 9.235 -10.610 -7.498 1.00 33.15 H new ATOM 0 HG2 PRO A 44 7.156 -8.468 -7.938 1.00 70.14 H new ATOM 0 HG3 PRO A 44 8.795 -8.303 -7.339 1.00 70.14 H new ATOM 0 HD2 PRO A 44 8.317 -7.617 -9.861 1.00 41.32 H new ATOM 0 HD3 PRO A 44 9.752 -8.567 -9.532 1.00 41.32 H new ATOM 762 N MET A 45 5.556 -10.979 -9.546 1.00 5.31 N ATOM 763 CA MET A 45 4.214 -11.589 -9.688 1.00 44.12 C ATOM 764 C MET A 45 3.658 -11.304 -11.092 1.00 21.25 C ATOM 765 O MET A 45 4.026 -10.302 -11.710 1.00 52.41 O ATOM 766 CB MET A 45 3.230 -11.040 -8.608 1.00 24.33 C ATOM 767 CG MET A 45 3.660 -11.286 -7.150 1.00 41.41 C ATOM 768 SD MET A 45 4.922 -10.126 -6.565 1.00 52.40 S ATOM 769 CE MET A 45 3.983 -8.599 -6.435 1.00 10.23 C ATOM 0 H MET A 45 5.552 -9.961 -9.611 1.00 5.31 H new ATOM 0 HA MET A 45 4.312 -12.665 -9.545 1.00 44.12 H new ATOM 0 HB2 MET A 45 3.110 -9.967 -8.759 1.00 24.33 H new ATOM 0 HB3 MET A 45 2.252 -11.495 -8.764 1.00 24.33 H new ATOM 0 HG2 MET A 45 2.785 -11.215 -6.504 1.00 41.41 H new ATOM 0 HG3 MET A 45 4.042 -12.303 -7.059 1.00 41.41 H new ATOM 0 HE1 MET A 45 4.463 -7.825 -7.034 1.00 10.23 H new ATOM 0 HE2 MET A 45 2.969 -8.763 -6.799 1.00 10.23 H new ATOM 0 HE3 MET A 45 3.947 -8.281 -5.393 1.00 10.23 H new ATOM 779 N ASN A 46 2.786 -12.195 -11.600 1.00 12.45 N ATOM 780 CA ASN A 46 2.025 -11.940 -12.846 1.00 32.13 C ATOM 781 C ASN A 46 0.899 -10.923 -12.579 1.00 20.11 C ATOM 782 O ASN A 46 0.560 -10.680 -11.425 1.00 63.23 O ATOM 783 CB ASN A 46 1.447 -13.262 -13.418 1.00 32.33 C ATOM 784 CG ASN A 46 2.498 -14.142 -14.095 1.00 13.01 C ATOM 785 OD1 ASN A 46 2.706 -14.057 -15.306 1.00 54.40 O ATOM 786 ND2 ASN A 46 3.170 -14.986 -13.330 1.00 2.13 N ATOM 0 H ASN A 46 2.588 -13.098 -11.170 1.00 12.45 H new ATOM 0 HA ASN A 46 2.704 -11.521 -13.589 1.00 32.13 H new ATOM 0 HB2 ASN A 46 0.979 -13.824 -12.610 1.00 32.33 H new ATOM 0 HB3 ASN A 46 0.663 -13.026 -14.138 1.00 32.33 H new ATOM 0 HD21 ASN A 46 3.883 -15.589 -13.740 1.00 2.13 H new ATOM 0 HD22 ASN A 46 2.975 -15.034 -12.330 1.00 2.13 H new ATOM 793 N GLU A 47 0.326 -10.362 -13.658 1.00 4.33 N ATOM 794 CA GLU A 47 -0.680 -9.279 -13.587 1.00 15.01 C ATOM 795 C GLU A 47 -1.918 -9.667 -12.748 1.00 4.34 C ATOM 796 O GLU A 47 -2.312 -8.916 -11.844 1.00 43.24 O ATOM 797 CB GLU A 47 -1.083 -8.855 -15.026 1.00 74.53 C ATOM 798 CG GLU A 47 -2.226 -7.821 -15.109 1.00 14.42 C ATOM 799 CD GLU A 47 -2.549 -7.407 -16.551 1.00 14.12 C ATOM 800 OE1 GLU A 47 -3.335 -8.113 -17.218 1.00 44.11 O ATOM 801 OE2 GLU A 47 -2.020 -6.378 -17.027 1.00 2.32 O ATOM 0 H GLU A 47 0.547 -10.647 -14.612 1.00 4.33 H new ATOM 0 HA GLU A 47 -0.226 -8.432 -13.073 1.00 15.01 H new ATOM 0 HB2 GLU A 47 -0.206 -8.444 -15.526 1.00 74.53 H new ATOM 0 HB3 GLU A 47 -1.379 -9.745 -15.581 1.00 74.53 H new ATOM 0 HG2 GLU A 47 -3.121 -8.237 -14.646 1.00 14.42 H new ATOM 0 HG3 GLU A 47 -1.952 -6.936 -14.534 1.00 14.42 H new ATOM 808 N THR A 48 -2.502 -10.847 -13.042 1.00 60.54 N ATOM 809 CA THR A 48 -3.711 -11.337 -12.347 1.00 14.13 C ATOM 810 C THR A 48 -3.401 -11.643 -10.861 1.00 13.54 C ATOM 811 O THR A 48 -4.185 -11.299 -9.966 1.00 51.54 O ATOM 812 CB THR A 48 -4.288 -12.622 -13.040 1.00 74.04 C ATOM 813 OG1 THR A 48 -4.208 -12.473 -14.465 1.00 50.02 O ATOM 814 CG2 THR A 48 -5.757 -12.887 -12.647 1.00 0.20 C ATOM 0 H THR A 48 -2.153 -11.482 -13.760 1.00 60.54 H new ATOM 0 HA THR A 48 -4.461 -10.548 -12.402 1.00 14.13 H new ATOM 0 HB THR A 48 -3.691 -13.470 -12.704 1.00 74.04 H new ATOM 0 HG1 THR A 48 -4.566 -13.276 -14.898 1.00 50.02 H new ATOM 0 HG21 THR A 48 -6.112 -13.786 -13.151 1.00 0.20 H new ATOM 0 HG22 THR A 48 -5.826 -13.025 -11.568 1.00 0.20 H new ATOM 0 HG23 THR A 48 -6.372 -12.038 -12.944 1.00 0.20 H new ATOM 822 N GLU A 49 -2.209 -12.243 -10.627 1.00 72.40 N ATOM 823 CA GLU A 49 -1.743 -12.632 -9.278 1.00 33.20 C ATOM 824 C GLU A 49 -1.538 -11.390 -8.402 1.00 20.44 C ATOM 825 O GLU A 49 -1.934 -11.359 -7.234 1.00 11.42 O ATOM 826 CB GLU A 49 -0.417 -13.441 -9.356 1.00 61.54 C ATOM 827 CG GLU A 49 -0.471 -14.680 -10.268 1.00 54.14 C ATOM 828 CD GLU A 49 0.796 -15.547 -10.164 1.00 34.32 C ATOM 829 OE1 GLU A 49 1.875 -15.084 -10.591 1.00 42.34 O ATOM 830 OE2 GLU A 49 0.724 -16.679 -9.635 1.00 24.42 O ATOM 0 H GLU A 49 -1.546 -12.470 -11.368 1.00 72.40 H new ATOM 0 HA GLU A 49 -2.510 -13.264 -8.831 1.00 33.20 H new ATOM 0 HB2 GLU A 49 0.375 -12.781 -9.710 1.00 61.54 H new ATOM 0 HB3 GLU A 49 -0.142 -13.759 -8.350 1.00 61.54 H new ATOM 0 HG2 GLU A 49 -1.341 -15.282 -10.006 1.00 54.14 H new ATOM 0 HG3 GLU A 49 -0.604 -14.360 -11.302 1.00 54.14 H new ATOM 837 N TYR A 50 -0.938 -10.365 -9.023 1.00 34.34 N ATOM 838 CA TYR A 50 -0.613 -9.090 -8.388 1.00 24.23 C ATOM 839 C TYR A 50 -1.886 -8.315 -8.005 1.00 24.45 C ATOM 840 O TYR A 50 -1.960 -7.759 -6.906 1.00 44.22 O ATOM 841 CB TYR A 50 0.283 -8.251 -9.349 1.00 33.21 C ATOM 842 CG TYR A 50 0.411 -6.777 -8.971 1.00 44.02 C ATOM 843 CD1 TYR A 50 1.167 -6.375 -7.874 1.00 53.20 C ATOM 844 CD2 TYR A 50 -0.260 -5.786 -9.696 1.00 61.52 C ATOM 845 CE1 TYR A 50 1.240 -5.049 -7.515 1.00 64.32 C ATOM 846 CE2 TYR A 50 -0.175 -4.460 -9.344 1.00 44.00 C ATOM 847 CZ TYR A 50 0.570 -4.099 -8.252 1.00 73.01 C ATOM 848 OH TYR A 50 0.608 -2.787 -7.868 1.00 74.34 O ATOM 0 H TYR A 50 -0.661 -10.405 -10.004 1.00 34.34 H new ATOM 0 HA TYR A 50 -0.067 -9.285 -7.465 1.00 24.23 H new ATOM 0 HB2 TYR A 50 1.279 -8.694 -9.376 1.00 33.21 H new ATOM 0 HB3 TYR A 50 -0.124 -8.320 -10.358 1.00 33.21 H new ATOM 0 HD1 TYR A 50 1.703 -7.114 -7.297 1.00 53.20 H new ATOM 0 HD2 TYR A 50 -0.857 -6.069 -10.550 1.00 61.52 H new ATOM 0 HE1 TYR A 50 1.823 -4.753 -6.655 1.00 64.32 H new ATOM 0 HE2 TYR A 50 -0.691 -3.709 -9.923 1.00 44.00 H new ATOM 0 HH TYR A 50 1.025 -2.717 -6.984 1.00 74.34 H new ATOM 858 N GLN A 51 -2.870 -8.284 -8.923 1.00 25.53 N ATOM 859 CA GLN A 51 -4.126 -7.525 -8.737 1.00 52.43 C ATOM 860 C GLN A 51 -4.938 -8.084 -7.554 1.00 44.24 C ATOM 861 O GLN A 51 -5.480 -7.328 -6.727 1.00 72.55 O ATOM 862 CB GLN A 51 -4.973 -7.562 -10.041 1.00 52.44 C ATOM 863 CG GLN A 51 -6.233 -6.655 -10.019 1.00 61.44 C ATOM 864 CD GLN A 51 -5.919 -5.166 -9.844 1.00 72.13 C ATOM 865 OE1 GLN A 51 -4.880 -4.691 -10.288 1.00 51.41 O ATOM 866 NE2 GLN A 51 -6.811 -4.419 -9.202 1.00 13.54 N ATOM 0 H GLN A 51 -2.820 -8.782 -9.812 1.00 25.53 H new ATOM 0 HA GLN A 51 -3.870 -6.490 -8.512 1.00 52.43 H new ATOM 0 HB2 GLN A 51 -4.341 -7.264 -10.878 1.00 52.44 H new ATOM 0 HB3 GLN A 51 -5.284 -8.590 -10.227 1.00 52.44 H new ATOM 0 HG2 GLN A 51 -6.785 -6.794 -10.948 1.00 61.44 H new ATOM 0 HG3 GLN A 51 -6.887 -6.977 -9.208 1.00 61.44 H new ATOM 0 HE21 GLN A 51 -7.667 -4.842 -8.843 1.00 13.54 H new ATOM 0 HE22 GLN A 51 -6.640 -3.422 -9.068 1.00 13.54 H new ATOM 875 N GLU A 52 -4.999 -9.420 -7.481 1.00 32.23 N ATOM 876 CA GLU A 52 -5.692 -10.139 -6.398 1.00 64.13 C ATOM 877 C GLU A 52 -4.870 -10.090 -5.093 1.00 65.21 C ATOM 878 O GLU A 52 -5.428 -10.197 -3.995 1.00 12.23 O ATOM 879 CB GLU A 52 -5.981 -11.595 -6.850 1.00 33.35 C ATOM 880 CG GLU A 52 -6.870 -11.677 -8.114 1.00 1.21 C ATOM 881 CD GLU A 52 -7.205 -13.115 -8.545 1.00 33.11 C ATOM 882 OE1 GLU A 52 -6.393 -13.735 -9.268 1.00 41.14 O ATOM 883 OE2 GLU A 52 -8.282 -13.638 -8.156 1.00 62.33 O ATOM 0 H GLU A 52 -4.569 -10.036 -8.171 1.00 32.23 H new ATOM 0 HA GLU A 52 -6.644 -9.651 -6.187 1.00 64.13 H new ATOM 0 HB2 GLU A 52 -5.036 -12.102 -7.045 1.00 33.35 H new ATOM 0 HB3 GLU A 52 -6.468 -12.131 -6.036 1.00 33.35 H new ATOM 0 HG2 GLU A 52 -7.799 -11.137 -7.929 1.00 1.21 H new ATOM 0 HG3 GLU A 52 -6.365 -11.170 -8.936 1.00 1.21 H new ATOM 890 N HIS A 53 -3.539 -9.889 -5.226 1.00 33.32 N ATOM 891 CA HIS A 53 -2.641 -9.682 -4.073 1.00 44.40 C ATOM 892 C HIS A 53 -2.834 -8.267 -3.491 1.00 31.35 C ATOM 893 O HIS A 53 -2.706 -8.081 -2.286 1.00 13.12 O ATOM 894 CB HIS A 53 -1.157 -9.918 -4.463 1.00 61.42 C ATOM 895 CG HIS A 53 -0.190 -9.762 -3.318 1.00 11.42 C ATOM 896 ND1 HIS A 53 -0.070 -10.687 -2.297 1.00 41.40 N ATOM 897 CD2 HIS A 53 0.690 -8.775 -3.025 1.00 11.53 C ATOM 898 CE1 HIS A 53 0.831 -10.269 -1.428 1.00 24.43 C ATOM 899 NE2 HIS A 53 1.306 -9.116 -1.853 1.00 31.21 N ATOM 0 H HIS A 53 -3.063 -9.866 -6.128 1.00 33.32 H new ATOM 0 HA HIS A 53 -2.901 -10.413 -3.307 1.00 44.40 H new ATOM 0 HB2 HIS A 53 -1.056 -10.922 -4.876 1.00 61.42 H new ATOM 0 HB3 HIS A 53 -0.884 -9.219 -5.253 1.00 61.42 H new ATOM 0 HD2 HIS A 53 0.871 -7.884 -3.608 1.00 11.53 H new ATOM 0 HE1 HIS A 53 1.127 -10.783 -0.525 1.00 24.43 H new ATOM 0 HE2 HIS A 53 2.022 -8.564 -1.381 1.00 31.21 H new ATOM 908 N LEU A 54 -3.155 -7.283 -4.361 1.00 33.34 N ATOM 909 CA LEU A 54 -3.506 -5.911 -3.929 1.00 15.13 C ATOM 910 C LEU A 54 -4.793 -5.935 -3.104 1.00 65.21 C ATOM 911 O LEU A 54 -4.941 -5.178 -2.162 1.00 34.42 O ATOM 912 CB LEU A 54 -3.718 -4.962 -5.139 1.00 40.34 C ATOM 913 CG LEU A 54 -2.467 -4.593 -5.979 1.00 32.21 C ATOM 914 CD1 LEU A 54 -2.870 -3.717 -7.182 1.00 5.00 C ATOM 915 CD2 LEU A 54 -1.398 -3.896 -5.111 1.00 13.24 C ATOM 0 H LEU A 54 -3.178 -7.415 -5.372 1.00 33.34 H new ATOM 0 HA LEU A 54 -2.673 -5.539 -3.332 1.00 15.13 H new ATOM 0 HB2 LEU A 54 -4.448 -5.422 -5.805 1.00 40.34 H new ATOM 0 HB3 LEU A 54 -4.161 -4.037 -4.769 1.00 40.34 H new ATOM 0 HG LEU A 54 -2.025 -5.514 -6.360 1.00 32.21 H new ATOM 0 HD11 LEU A 54 -1.982 -3.466 -7.763 1.00 5.00 H new ATOM 0 HD12 LEU A 54 -3.572 -4.264 -7.811 1.00 5.00 H new ATOM 0 HD13 LEU A 54 -3.341 -2.801 -6.824 1.00 5.00 H new ATOM 0 HD21 LEU A 54 -0.533 -3.649 -5.727 1.00 13.24 H new ATOM 0 HD22 LEU A 54 -1.813 -2.982 -4.686 1.00 13.24 H new ATOM 0 HD23 LEU A 54 -1.091 -4.564 -4.306 1.00 13.24 H new ATOM 927 N ASP A 55 -5.718 -6.815 -3.517 1.00 71.33 N ATOM 928 CA ASP A 55 -7.017 -6.996 -2.850 1.00 75.20 C ATOM 929 C ASP A 55 -6.838 -7.696 -1.496 1.00 65.22 C ATOM 930 O ASP A 55 -7.599 -7.455 -0.566 1.00 64.13 O ATOM 931 CB ASP A 55 -7.978 -7.780 -3.782 1.00 14.51 C ATOM 932 CG ASP A 55 -9.418 -7.858 -3.241 1.00 64.33 C ATOM 933 OD1 ASP A 55 -10.082 -6.801 -3.157 1.00 2.44 O ATOM 934 OD2 ASP A 55 -9.892 -8.967 -2.906 1.00 4.14 O ATOM 0 H ASP A 55 -5.586 -7.423 -4.325 1.00 71.33 H new ATOM 0 HA ASP A 55 -7.459 -6.020 -2.650 1.00 75.20 H new ATOM 0 HB2 ASP A 55 -7.990 -7.305 -4.763 1.00 14.51 H new ATOM 0 HB3 ASP A 55 -7.594 -8.790 -3.922 1.00 14.51 H new ATOM 939 N SER A 56 -5.803 -8.553 -1.415 1.00 43.30 N ATOM 940 CA SER A 56 -5.384 -9.204 -0.164 1.00 31.25 C ATOM 941 C SER A 56 -4.780 -8.167 0.809 1.00 44.34 C ATOM 942 O SER A 56 -5.100 -8.159 2.001 1.00 4.42 O ATOM 943 CB SER A 56 -4.366 -10.326 -0.473 1.00 2.34 C ATOM 944 OG SER A 56 -3.907 -10.966 0.708 1.00 54.02 O ATOM 0 H SER A 56 -5.233 -8.813 -2.220 1.00 43.30 H new ATOM 0 HA SER A 56 -6.257 -9.647 0.316 1.00 31.25 H new ATOM 0 HB2 SER A 56 -4.827 -11.064 -1.129 1.00 2.34 H new ATOM 0 HB3 SER A 56 -3.516 -9.907 -1.012 1.00 2.34 H new ATOM 0 HG SER A 56 -3.267 -11.669 0.471 1.00 54.02 H new ATOM 950 N VAL A 57 -3.925 -7.279 0.267 1.00 73.12 N ATOM 951 CA VAL A 57 -3.290 -6.195 1.032 1.00 52.13 C ATOM 952 C VAL A 57 -4.354 -5.203 1.536 1.00 52.12 C ATOM 953 O VAL A 57 -4.360 -4.835 2.706 1.00 73.33 O ATOM 954 CB VAL A 57 -2.207 -5.453 0.160 1.00 72.41 C ATOM 955 CG1 VAL A 57 -1.693 -4.173 0.844 1.00 34.11 C ATOM 956 CG2 VAL A 57 -1.029 -6.399 -0.180 1.00 14.14 C ATOM 0 H VAL A 57 -3.656 -7.295 -0.717 1.00 73.12 H new ATOM 0 HA VAL A 57 -2.786 -6.632 1.894 1.00 52.13 H new ATOM 0 HB VAL A 57 -2.693 -5.154 -0.769 1.00 72.41 H new ATOM 0 HG11 VAL A 57 -0.949 -3.694 0.208 1.00 34.11 H new ATOM 0 HG12 VAL A 57 -2.525 -3.488 1.007 1.00 34.11 H new ATOM 0 HG13 VAL A 57 -1.241 -4.429 1.802 1.00 34.11 H new ATOM 0 HG21 VAL A 57 -0.295 -5.864 -0.782 1.00 14.14 H new ATOM 0 HG22 VAL A 57 -0.561 -6.743 0.742 1.00 14.14 H new ATOM 0 HG23 VAL A 57 -1.401 -7.257 -0.740 1.00 14.14 H new ATOM 966 N ALA A 58 -5.275 -4.826 0.637 1.00 13.34 N ATOM 967 CA ALA A 58 -6.368 -3.877 0.929 1.00 51.53 C ATOM 968 C ALA A 58 -7.381 -4.475 1.924 1.00 25.01 C ATOM 969 O ALA A 58 -8.037 -3.739 2.677 1.00 72.25 O ATOM 970 CB ALA A 58 -7.051 -3.468 -0.377 1.00 40.23 C ATOM 0 H ALA A 58 -5.285 -5.172 -0.322 1.00 13.34 H new ATOM 0 HA ALA A 58 -5.945 -2.990 1.401 1.00 51.53 H new ATOM 0 HB1 ALA A 58 -7.858 -2.767 -0.162 1.00 40.23 H new ATOM 0 HB2 ALA A 58 -6.323 -2.992 -1.035 1.00 40.23 H new ATOM 0 HB3 ALA A 58 -7.459 -4.352 -0.867 1.00 40.23 H new ATOM 976 N ASN A 59 -7.479 -5.817 1.914 1.00 60.24 N ATOM 977 CA ASN A 59 -8.258 -6.577 2.904 1.00 10.54 C ATOM 978 C ASN A 59 -7.611 -6.461 4.290 1.00 63.34 C ATOM 979 O ASN A 59 -8.317 -6.307 5.274 1.00 73.23 O ATOM 980 CB ASN A 59 -8.394 -8.065 2.477 1.00 23.14 C ATOM 981 CG ASN A 59 -9.182 -8.915 3.482 1.00 21.24 C ATOM 982 OD1 ASN A 59 -10.409 -8.988 3.426 1.00 54.14 O ATOM 983 ND2 ASN A 59 -8.486 -9.560 4.405 1.00 1.10 N ATOM 0 H ASN A 59 -7.019 -6.404 1.218 1.00 60.24 H new ATOM 0 HA ASN A 59 -9.261 -6.153 2.955 1.00 10.54 H new ATOM 0 HB2 ASN A 59 -8.886 -8.114 1.506 1.00 23.14 H new ATOM 0 HB3 ASN A 59 -7.399 -8.492 2.352 1.00 23.14 H new ATOM 0 HD21 ASN A 59 -8.966 -10.137 5.095 1.00 1.10 H new ATOM 0 HD22 ASN A 59 -7.469 -9.480 4.426 1.00 1.10 H new ATOM 990 N TYR A 60 -6.263 -6.532 4.348 1.00 25.41 N ATOM 991 CA TYR A 60 -5.501 -6.320 5.605 1.00 71.32 C ATOM 992 C TYR A 60 -5.658 -4.884 6.118 1.00 53.42 C ATOM 993 O TYR A 60 -5.785 -4.660 7.323 1.00 33.31 O ATOM 994 CB TYR A 60 -3.990 -6.639 5.418 1.00 22.41 C ATOM 995 CG TYR A 60 -3.634 -8.121 5.527 1.00 5.14 C ATOM 996 CD1 TYR A 60 -3.683 -8.766 6.764 1.00 13.52 C ATOM 997 CD2 TYR A 60 -3.236 -8.868 4.418 1.00 1.14 C ATOM 998 CE1 TYR A 60 -3.350 -10.093 6.890 1.00 20.53 C ATOM 999 CE2 TYR A 60 -2.902 -10.202 4.539 1.00 74.21 C ATOM 1000 CZ TYR A 60 -2.961 -10.810 5.775 1.00 21.20 C ATOM 1001 OH TYR A 60 -2.629 -12.144 5.898 1.00 55.14 O ATOM 0 H TYR A 60 -5.676 -6.735 3.539 1.00 25.41 H new ATOM 0 HA TYR A 60 -5.916 -7.007 6.342 1.00 71.32 H new ATOM 0 HB2 TYR A 60 -3.673 -6.274 4.441 1.00 22.41 H new ATOM 0 HB3 TYR A 60 -3.420 -6.086 6.165 1.00 22.41 H new ATOM 0 HD1 TYR A 60 -3.989 -8.211 7.639 1.00 13.52 H new ATOM 0 HD2 TYR A 60 -3.188 -8.395 3.448 1.00 1.14 H new ATOM 0 HE1 TYR A 60 -3.392 -10.573 7.856 1.00 20.53 H new ATOM 0 HE2 TYR A 60 -2.596 -10.766 3.670 1.00 74.21 H new ATOM 0 HH TYR A 60 -2.379 -12.501 5.020 1.00 55.14 H new ATOM 1011 N LEU A 61 -5.648 -3.928 5.184 1.00 11.52 N ATOM 1012 CA LEU A 61 -5.810 -2.501 5.496 1.00 2.14 C ATOM 1013 C LEU A 61 -7.185 -2.246 6.151 1.00 54.13 C ATOM 1014 O LEU A 61 -7.298 -1.465 7.091 1.00 32.12 O ATOM 1015 CB LEU A 61 -5.613 -1.653 4.207 1.00 23.32 C ATOM 1016 CG LEU A 61 -4.213 -1.774 3.518 1.00 45.51 C ATOM 1017 CD1 LEU A 61 -4.165 -0.992 2.189 1.00 31.35 C ATOM 1018 CD2 LEU A 61 -3.073 -1.341 4.463 1.00 14.03 C ATOM 0 H LEU A 61 -5.527 -4.120 4.189 1.00 11.52 H new ATOM 0 HA LEU A 61 -5.049 -2.197 6.215 1.00 2.14 H new ATOM 0 HB2 LEU A 61 -6.378 -1.941 3.486 1.00 23.32 H new ATOM 0 HB3 LEU A 61 -5.786 -0.606 4.454 1.00 23.32 H new ATOM 0 HG LEU A 61 -4.061 -2.828 3.285 1.00 45.51 H new ATOM 0 HD11 LEU A 61 -3.178 -1.099 1.739 1.00 31.35 H new ATOM 0 HD12 LEU A 61 -4.919 -1.386 1.508 1.00 31.35 H new ATOM 0 HD13 LEU A 61 -4.364 0.062 2.380 1.00 31.35 H new ATOM 0 HD21 LEU A 61 -2.117 -1.439 3.949 1.00 14.03 H new ATOM 0 HD22 LEU A 61 -3.221 -0.303 4.759 1.00 14.03 H new ATOM 0 HD23 LEU A 61 -3.075 -1.975 5.350 1.00 14.03 H new ATOM 1030 N HIS A 62 -8.218 -2.953 5.665 1.00 40.24 N ATOM 1031 CA HIS A 62 -9.571 -2.910 6.257 1.00 13.42 C ATOM 1032 C HIS A 62 -9.620 -3.728 7.568 1.00 32.12 C ATOM 1033 O HIS A 62 -10.253 -3.316 8.538 1.00 2.32 O ATOM 1034 CB HIS A 62 -10.614 -3.448 5.240 1.00 1.33 C ATOM 1035 CG HIS A 62 -12.050 -3.348 5.708 1.00 71.53 C ATOM 1036 ND1 HIS A 62 -12.805 -4.441 6.082 1.00 71.45 N ATOM 1037 CD2 HIS A 62 -12.864 -2.272 5.860 1.00 15.32 C ATOM 1038 CE1 HIS A 62 -14.007 -4.044 6.444 1.00 53.34 C ATOM 1039 NE2 HIS A 62 -14.075 -2.735 6.316 1.00 1.22 N ATOM 0 H HIS A 62 -8.143 -3.568 4.855 1.00 40.24 H new ATOM 0 HA HIS A 62 -9.814 -1.874 6.495 1.00 13.42 H new ATOM 0 HB2 HIS A 62 -10.510 -2.897 4.305 1.00 1.33 H new ATOM 0 HB3 HIS A 62 -10.387 -4.492 5.022 1.00 1.33 H new ATOM 0 HD2 HIS A 62 -12.607 -1.242 5.660 1.00 15.32 H new ATOM 0 HE1 HIS A 62 -14.805 -4.685 6.789 1.00 53.34 H new ATOM 0 HE2 HIS A 62 -14.892 -2.160 6.521 1.00 1.22 H new ATOM 1048 N ALA A 63 -8.903 -4.865 7.591 1.00 64.12 N ATOM 1049 CA ALA A 63 -8.921 -5.823 8.720 1.00 73.20 C ATOM 1050 C ALA A 63 -8.273 -5.242 9.982 1.00 74.51 C ATOM 1051 O ALA A 63 -8.647 -5.608 11.089 1.00 34.12 O ATOM 1052 CB ALA A 63 -8.230 -7.140 8.321 1.00 30.30 C ATOM 0 H ALA A 63 -8.291 -5.150 6.826 1.00 64.12 H new ATOM 0 HA ALA A 63 -9.966 -6.025 8.955 1.00 73.20 H new ATOM 0 HB1 ALA A 63 -8.252 -7.832 9.163 1.00 30.30 H new ATOM 0 HB2 ALA A 63 -8.753 -7.583 7.473 1.00 30.30 H new ATOM 0 HB3 ALA A 63 -7.195 -6.939 8.044 1.00 30.30 H new ATOM 1058 N LEU A 64 -7.306 -4.336 9.788 1.00 13.44 N ATOM 1059 CA LEU A 64 -6.573 -3.673 10.883 1.00 12.24 C ATOM 1060 C LEU A 64 -7.167 -2.271 11.158 1.00 75.13 C ATOM 1061 O LEU A 64 -7.086 -1.764 12.283 1.00 61.21 O ATOM 1062 CB LEU A 64 -5.063 -3.577 10.503 1.00 11.24 C ATOM 1063 CG LEU A 64 -4.345 -4.942 10.214 1.00 0.21 C ATOM 1064 CD1 LEU A 64 -2.903 -4.737 9.692 1.00 12.04 C ATOM 1065 CD2 LEU A 64 -4.365 -5.865 11.450 1.00 30.04 C ATOM 0 H LEU A 64 -7.005 -4.038 8.860 1.00 13.44 H new ATOM 0 HA LEU A 64 -6.671 -4.259 11.797 1.00 12.24 H new ATOM 0 HB2 LEU A 64 -4.969 -2.944 9.620 1.00 11.24 H new ATOM 0 HB3 LEU A 64 -4.535 -3.074 11.313 1.00 11.24 H new ATOM 0 HG LEU A 64 -4.909 -5.436 9.422 1.00 0.21 H new ATOM 0 HD11 LEU A 64 -2.442 -5.707 9.505 1.00 12.04 H new ATOM 0 HD12 LEU A 64 -2.930 -4.163 8.766 1.00 12.04 H new ATOM 0 HD13 LEU A 64 -2.320 -4.196 10.437 1.00 12.04 H new ATOM 0 HD21 LEU A 64 -3.859 -6.801 11.213 1.00 30.04 H new ATOM 0 HD22 LEU A 64 -3.853 -5.375 12.278 1.00 30.04 H new ATOM 0 HD23 LEU A 64 -5.397 -6.072 11.733 1.00 30.04 H new ATOM 1077 N GLY A 65 -7.790 -1.680 10.114 1.00 2.12 N ATOM 1078 CA GLY A 65 -8.325 -0.308 10.170 1.00 74.13 C ATOM 1079 C GLY A 65 -7.393 0.728 9.539 1.00 40.04 C ATOM 1080 O GLY A 65 -7.688 1.930 9.555 1.00 3.14 O ATOM 0 H GLY A 65 -7.934 -2.141 9.215 1.00 2.12 H new ATOM 0 HA2 GLY A 65 -9.288 -0.279 9.660 1.00 74.13 H new ATOM 0 HA3 GLY A 65 -8.507 -0.038 11.210 1.00 74.13 H new ATOM 1084 N GLY A 66 -6.268 0.255 8.963 1.00 51.14 N ATOM 1085 CA GLY A 66 -5.249 1.131 8.372 1.00 23.42 C ATOM 1086 C GLY A 66 -5.561 1.595 6.953 1.00 60.13 C ATOM 1087 O GLY A 66 -4.731 2.259 6.346 1.00 34.43 O ATOM 0 H GLY A 66 -6.046 -0.738 8.897 1.00 51.14 H new ATOM 0 HA2 GLY A 66 -5.127 2.007 9.009 1.00 23.42 H new ATOM 0 HA3 GLY A 66 -4.294 0.605 8.367 1.00 23.42 H new ATOM 1091 N ALA A 67 -6.763 1.267 6.437 1.00 4.13 N ATOM 1092 CA ALA A 67 -7.180 1.631 5.068 1.00 0.32 C ATOM 1093 C ALA A 67 -7.346 3.150 4.902 1.00 41.43 C ATOM 1094 O ALA A 67 -6.828 3.737 3.946 1.00 61.25 O ATOM 1095 CB ALA A 67 -8.471 0.894 4.706 1.00 1.41 C ATOM 0 H ALA A 67 -7.469 0.744 6.955 1.00 4.13 H new ATOM 0 HA ALA A 67 -6.391 1.324 4.381 1.00 0.32 H new ATOM 0 HB1 ALA A 67 -8.774 1.166 3.695 1.00 1.41 H new ATOM 0 HB2 ALA A 67 -8.302 -0.182 4.757 1.00 1.41 H new ATOM 0 HB3 ALA A 67 -9.257 1.172 5.408 1.00 1.41 H new ATOM 1101 N VAL A 68 -8.060 3.770 5.862 1.00 42.42 N ATOM 1102 CA VAL A 68 -8.235 5.239 5.924 1.00 22.12 C ATOM 1103 C VAL A 68 -6.871 5.936 6.102 1.00 54.55 C ATOM 1104 O VAL A 68 -6.643 7.003 5.544 1.00 1.24 O ATOM 1105 CB VAL A 68 -9.209 5.651 7.102 1.00 43.32 C ATOM 1106 CG1 VAL A 68 -9.389 7.188 7.207 1.00 52.23 C ATOM 1107 CG2 VAL A 68 -10.578 4.949 6.957 1.00 61.04 C ATOM 0 H VAL A 68 -8.532 3.270 6.616 1.00 42.42 H new ATOM 0 HA VAL A 68 -8.681 5.561 4.983 1.00 22.12 H new ATOM 0 HB VAL A 68 -8.743 5.318 8.030 1.00 43.32 H new ATOM 0 HG11 VAL A 68 -10.066 7.420 8.030 1.00 52.23 H new ATOM 0 HG12 VAL A 68 -8.422 7.656 7.390 1.00 52.23 H new ATOM 0 HG13 VAL A 68 -9.806 7.570 6.275 1.00 52.23 H new ATOM 0 HG21 VAL A 68 -11.229 5.248 7.778 1.00 61.04 H new ATOM 0 HG22 VAL A 68 -11.035 5.234 6.009 1.00 61.04 H new ATOM 0 HG23 VAL A 68 -10.437 3.868 6.981 1.00 61.04 H new ATOM 1117 N GLN A 69 -5.963 5.284 6.855 1.00 12.24 N ATOM 1118 CA GLN A 69 -4.599 5.799 7.108 1.00 64.50 C ATOM 1119 C GLN A 69 -3.769 5.865 5.801 1.00 61.32 C ATOM 1120 O GLN A 69 -2.975 6.790 5.613 1.00 31.22 O ATOM 1121 CB GLN A 69 -3.882 4.913 8.160 1.00 51.23 C ATOM 1122 CG GLN A 69 -4.581 4.834 9.539 1.00 11.12 C ATOM 1123 CD GLN A 69 -4.631 6.168 10.295 1.00 44.33 C ATOM 1124 OE1 GLN A 69 -3.744 7.014 10.164 1.00 71.21 O ATOM 1125 NE2 GLN A 69 -5.661 6.362 11.106 1.00 35.41 N ATOM 0 H GLN A 69 -6.152 4.388 7.305 1.00 12.24 H new ATOM 0 HA GLN A 69 -4.687 6.813 7.497 1.00 64.50 H new ATOM 0 HB2 GLN A 69 -3.789 3.904 7.759 1.00 51.23 H new ATOM 0 HB3 GLN A 69 -2.871 5.294 8.304 1.00 51.23 H new ATOM 0 HG2 GLN A 69 -5.599 4.471 9.398 1.00 11.12 H new ATOM 0 HG3 GLN A 69 -4.063 4.099 10.155 1.00 11.12 H new ATOM 0 HE21 GLN A 69 -6.381 5.645 11.196 1.00 35.41 H new ATOM 0 HE22 GLN A 69 -5.733 7.228 11.640 1.00 35.41 H new ATOM 1134 N VAL A 70 -3.970 4.868 4.911 1.00 40.11 N ATOM 1135 CA VAL A 70 -3.322 4.823 3.582 1.00 51.23 C ATOM 1136 C VAL A 70 -3.849 5.946 2.685 1.00 12.23 C ATOM 1137 O VAL A 70 -3.071 6.718 2.118 1.00 32.30 O ATOM 1138 CB VAL A 70 -3.558 3.433 2.868 1.00 51.41 C ATOM 1139 CG1 VAL A 70 -2.985 3.410 1.430 1.00 1.15 C ATOM 1140 CG2 VAL A 70 -2.964 2.292 3.705 1.00 43.12 C ATOM 0 H VAL A 70 -4.584 4.074 5.093 1.00 40.11 H new ATOM 0 HA VAL A 70 -2.252 4.956 3.742 1.00 51.23 H new ATOM 0 HB VAL A 70 -4.635 3.289 2.787 1.00 51.41 H new ATOM 0 HG11 VAL A 70 -3.171 2.435 0.980 1.00 1.15 H new ATOM 0 HG12 VAL A 70 -3.469 4.183 0.833 1.00 1.15 H new ATOM 0 HG13 VAL A 70 -1.911 3.595 1.463 1.00 1.15 H new ATOM 0 HG21 VAL A 70 -3.135 1.342 3.199 1.00 43.12 H new ATOM 0 HG22 VAL A 70 -1.892 2.450 3.827 1.00 43.12 H new ATOM 0 HG23 VAL A 70 -3.442 2.272 4.685 1.00 43.12 H new ATOM 1150 N LYS A 71 -5.184 6.013 2.591 1.00 14.25 N ATOM 1151 CA LYS A 71 -5.895 6.962 1.723 1.00 3.12 C ATOM 1152 C LYS A 71 -5.552 8.422 2.086 1.00 51.15 C ATOM 1153 O LYS A 71 -5.191 9.216 1.211 1.00 44.41 O ATOM 1154 CB LYS A 71 -7.425 6.699 1.808 1.00 54.11 C ATOM 1155 CG LYS A 71 -7.858 5.318 1.254 1.00 5.05 C ATOM 1156 CD LYS A 71 -9.400 5.137 1.221 1.00 55.43 C ATOM 1157 CE LYS A 71 -10.092 6.141 0.275 1.00 23.15 C ATOM 1158 NZ LYS A 71 -11.570 5.971 0.245 1.00 44.41 N ATOM 0 H LYS A 71 -5.807 5.404 3.121 1.00 14.25 H new ATOM 0 HA LYS A 71 -5.570 6.809 0.694 1.00 3.12 H new ATOM 0 HB2 LYS A 71 -7.739 6.777 2.849 1.00 54.11 H new ATOM 0 HB3 LYS A 71 -7.949 7.480 1.258 1.00 54.11 H new ATOM 0 HG2 LYS A 71 -7.461 5.196 0.246 1.00 5.05 H new ATOM 0 HG3 LYS A 71 -7.418 4.532 1.867 1.00 5.05 H new ATOM 0 HD2 LYS A 71 -9.637 4.121 0.904 1.00 55.43 H new ATOM 0 HD3 LYS A 71 -9.799 5.258 2.228 1.00 55.43 H new ATOM 0 HE2 LYS A 71 -9.853 7.157 0.591 1.00 23.15 H new ATOM 0 HE3 LYS A 71 -9.695 6.018 -0.733 1.00 23.15 H new ATOM 0 HZ1 LYS A 71 -11.987 6.668 -0.404 1.00 44.41 H new ATOM 0 HZ2 LYS A 71 -11.803 5.011 -0.082 1.00 44.41 H new ATOM 0 HZ3 LYS A 71 -11.955 6.114 1.200 1.00 44.41 H new ATOM 1172 N THR A 72 -5.620 8.733 3.394 1.00 74.33 N ATOM 1173 CA THR A 72 -5.333 10.073 3.932 1.00 63.42 C ATOM 1174 C THR A 72 -3.863 10.471 3.697 1.00 55.23 C ATOM 1175 O THR A 72 -3.578 11.603 3.271 1.00 53.41 O ATOM 1176 CB THR A 72 -5.663 10.129 5.464 1.00 34.33 C ATOM 1177 OG1 THR A 72 -7.048 9.792 5.664 1.00 41.20 O ATOM 1178 CG2 THR A 72 -5.391 11.514 6.083 1.00 14.14 C ATOM 0 H THR A 72 -5.878 8.055 4.111 1.00 74.33 H new ATOM 0 HA THR A 72 -5.966 10.784 3.402 1.00 63.42 H new ATOM 0 HB THR A 72 -5.008 9.413 5.961 1.00 34.33 H new ATOM 0 HG1 THR A 72 -7.150 8.817 5.673 1.00 41.20 H new ATOM 0 HG21 THR A 72 -5.638 11.493 7.145 1.00 14.14 H new ATOM 0 HG22 THR A 72 -4.338 11.767 5.960 1.00 14.14 H new ATOM 0 HG23 THR A 72 -6.005 12.263 5.583 1.00 14.14 H new ATOM 1186 N PHE A 73 -2.938 9.523 3.962 1.00 64.53 N ATOM 1187 CA PHE A 73 -1.497 9.768 3.809 1.00 14.21 C ATOM 1188 C PHE A 73 -1.152 10.059 2.341 1.00 70.10 C ATOM 1189 O PHE A 73 -0.517 11.056 2.062 1.00 34.24 O ATOM 1190 CB PHE A 73 -0.655 8.576 4.331 1.00 41.11 C ATOM 1191 CG PHE A 73 0.856 8.828 4.308 1.00 32.25 C ATOM 1192 CD1 PHE A 73 1.448 9.734 5.193 1.00 32.33 C ATOM 1193 CD2 PHE A 73 1.685 8.168 3.398 1.00 52.15 C ATOM 1194 CE1 PHE A 73 2.813 9.966 5.164 1.00 44.44 C ATOM 1195 CE2 PHE A 73 3.046 8.402 3.369 1.00 52.12 C ATOM 1196 CZ PHE A 73 3.611 9.296 4.253 1.00 74.12 C ATOM 0 H PHE A 73 -3.169 8.583 4.283 1.00 64.53 H new ATOM 0 HA PHE A 73 -1.248 10.641 4.412 1.00 14.21 H new ATOM 0 HB2 PHE A 73 -0.960 8.348 5.352 1.00 41.11 H new ATOM 0 HB3 PHE A 73 -0.876 7.696 3.728 1.00 41.11 H new ATOM 0 HD1 PHE A 73 0.833 10.260 5.908 1.00 32.33 H new ATOM 0 HD2 PHE A 73 1.254 7.462 2.704 1.00 52.15 H new ATOM 0 HE1 PHE A 73 3.255 10.670 5.853 1.00 44.44 H new ATOM 0 HE2 PHE A 73 3.668 7.884 2.653 1.00 52.12 H new ATOM 0 HZ PHE A 73 4.676 9.474 4.235 1.00 74.12 H new ATOM 1206 N ILE A 74 -1.620 9.195 1.414 1.00 25.21 N ATOM 1207 CA ILE A 74 -1.353 9.334 -0.038 1.00 11.30 C ATOM 1208 C ILE A 74 -1.959 10.650 -0.605 1.00 70.34 C ATOM 1209 O ILE A 74 -1.381 11.263 -1.507 1.00 10.54 O ATOM 1210 CB ILE A 74 -1.841 8.050 -0.836 1.00 74.53 C ATOM 1211 CG1 ILE A 74 -0.952 6.815 -0.448 1.00 4.24 C ATOM 1212 CG2 ILE A 74 -1.835 8.270 -2.371 1.00 14.23 C ATOM 1213 CD1 ILE A 74 -1.228 5.536 -1.233 1.00 54.15 C ATOM 0 H ILE A 74 -2.192 8.383 1.648 1.00 25.21 H new ATOM 0 HA ILE A 74 -0.274 9.403 -0.176 1.00 11.30 H new ATOM 0 HB ILE A 74 -2.876 7.857 -0.552 1.00 74.53 H new ATOM 0 HG12 ILE A 74 0.095 7.086 -0.584 1.00 4.24 H new ATOM 0 HG13 ILE A 74 -1.092 6.607 0.613 1.00 4.24 H new ATOM 0 HG21 ILE A 74 -2.177 7.363 -2.870 1.00 14.23 H new ATOM 0 HG22 ILE A 74 -2.501 9.095 -2.623 1.00 14.23 H new ATOM 0 HG23 ILE A 74 -0.823 8.506 -2.701 1.00 14.23 H new ATOM 0 HD11 ILE A 74 -0.561 4.746 -0.888 1.00 54.15 H new ATOM 0 HD12 ILE A 74 -2.263 5.231 -1.079 1.00 54.15 H new ATOM 0 HD13 ILE A 74 -1.057 5.716 -2.294 1.00 54.15 H new ATOM 1225 N THR A 75 -3.091 11.101 -0.030 1.00 52.22 N ATOM 1226 CA THR A 75 -3.715 12.395 -0.390 1.00 41.13 C ATOM 1227 C THR A 75 -2.826 13.592 0.041 1.00 42.22 C ATOM 1228 O THR A 75 -2.725 14.589 -0.683 1.00 5.23 O ATOM 1229 CB THR A 75 -5.149 12.508 0.241 1.00 50.52 C ATOM 1230 OG1 THR A 75 -5.959 11.423 -0.242 1.00 31.01 O ATOM 1231 CG2 THR A 75 -5.861 13.838 -0.083 1.00 12.14 C ATOM 0 H THR A 75 -3.597 10.586 0.691 1.00 52.22 H new ATOM 0 HA THR A 75 -3.811 12.431 -1.475 1.00 41.13 H new ATOM 0 HB THR A 75 -5.021 12.468 1.323 1.00 50.52 H new ATOM 0 HG1 THR A 75 -5.674 10.587 0.183 1.00 31.01 H new ATOM 0 HG21 THR A 75 -6.846 13.847 0.385 1.00 12.14 H new ATOM 0 HG22 THR A 75 -5.270 14.670 0.300 1.00 12.14 H new ATOM 0 HG23 THR A 75 -5.971 13.938 -1.163 1.00 12.14 H new ATOM 1239 N GLN A 76 -2.156 13.463 1.204 1.00 12.23 N ATOM 1240 CA GLN A 76 -1.317 14.540 1.780 1.00 4.30 C ATOM 1241 C GLN A 76 0.113 14.535 1.190 1.00 33.52 C ATOM 1242 O GLN A 76 0.556 15.551 0.633 1.00 24.43 O ATOM 1243 CB GLN A 76 -1.283 14.431 3.333 1.00 60.24 C ATOM 1244 CG GLN A 76 -2.656 14.658 4.007 1.00 62.13 C ATOM 1245 CD GLN A 76 -2.606 14.715 5.537 1.00 20.33 C ATOM 1246 OE1 GLN A 76 -1.607 15.115 6.134 1.00 33.02 O ATOM 1247 NE2 GLN A 76 -3.690 14.337 6.185 1.00 60.23 N ATOM 0 H GLN A 76 -2.179 12.615 1.770 1.00 12.23 H new ATOM 0 HA GLN A 76 -1.770 15.494 1.509 1.00 4.30 H new ATOM 0 HB2 GLN A 76 -0.912 13.444 3.610 1.00 60.24 H new ATOM 0 HB3 GLN A 76 -0.573 15.160 3.723 1.00 60.24 H new ATOM 0 HG2 GLN A 76 -3.081 15.590 3.634 1.00 62.13 H new ATOM 0 HG3 GLN A 76 -3.332 13.857 3.707 1.00 62.13 H new ATOM 0 HE21 GLN A 76 -4.505 14.009 5.667 1.00 60.23 H new ATOM 0 HE22 GLN A 76 -3.713 14.372 7.204 1.00 60.23 H new ATOM 1256 N THR A 77 0.825 13.393 1.330 1.00 14.21 N ATOM 1257 CA THR A 77 2.203 13.211 0.822 1.00 54.32 C ATOM 1258 C THR A 77 2.287 13.443 -0.696 1.00 74.00 C ATOM 1259 O THR A 77 1.305 13.250 -1.414 1.00 23.30 O ATOM 1260 CB THR A 77 2.767 11.776 1.150 1.00 75.44 C ATOM 1261 OG1 THR A 77 4.172 11.728 0.875 1.00 51.33 O ATOM 1262 CG2 THR A 77 2.087 10.653 0.336 1.00 71.41 C ATOM 0 H THR A 77 0.456 12.567 1.802 1.00 14.21 H new ATOM 0 HA THR A 77 2.811 13.957 1.333 1.00 54.32 H new ATOM 0 HB THR A 77 2.559 11.605 2.206 1.00 75.44 H new ATOM 0 HG1 THR A 77 4.516 10.834 1.083 1.00 51.33 H new ATOM 0 HG21 THR A 77 2.521 9.691 0.609 1.00 71.41 H new ATOM 0 HG22 THR A 77 1.019 10.643 0.552 1.00 71.41 H new ATOM 0 HG23 THR A 77 2.241 10.831 -0.728 1.00 71.41 H new ATOM 1270 N LYS A 78 3.462 13.880 -1.161 1.00 21.44 N ATOM 1271 CA LYS A 78 3.762 14.068 -2.596 1.00 50.51 C ATOM 1272 C LYS A 78 5.086 13.354 -2.933 1.00 24.15 C ATOM 1273 O LYS A 78 5.711 13.638 -3.960 1.00 31.22 O ATOM 1274 CB LYS A 78 3.815 15.589 -2.948 1.00 44.15 C ATOM 1275 CG LYS A 78 2.529 16.368 -2.576 1.00 20.43 C ATOM 1276 CD LYS A 78 2.505 17.819 -3.119 1.00 41.13 C ATOM 1277 CE LYS A 78 1.126 18.481 -2.932 1.00 62.40 C ATOM 1278 NZ LYS A 78 1.072 19.859 -3.502 1.00 12.00 N ATOM 0 H LYS A 78 4.244 14.117 -0.550 1.00 21.44 H new ATOM 0 HA LYS A 78 2.970 13.628 -3.201 1.00 50.51 H new ATOM 0 HB2 LYS A 78 4.663 16.041 -2.433 1.00 44.15 H new ATOM 0 HB3 LYS A 78 3.997 15.698 -4.017 1.00 44.15 H new ATOM 0 HG2 LYS A 78 1.663 15.830 -2.962 1.00 20.43 H new ATOM 0 HG3 LYS A 78 2.430 16.393 -1.491 1.00 20.43 H new ATOM 0 HD2 LYS A 78 3.264 18.411 -2.607 1.00 41.13 H new ATOM 0 HD3 LYS A 78 2.765 17.815 -4.178 1.00 41.13 H new ATOM 0 HE2 LYS A 78 0.363 17.864 -3.407 1.00 62.40 H new ATOM 0 HE3 LYS A 78 0.887 18.521 -1.869 1.00 62.40 H new ATOM 0 HZ1 LYS A 78 0.125 20.260 -3.351 1.00 12.00 H new ATOM 0 HZ2 LYS A 78 1.781 20.457 -3.031 1.00 12.00 H new ATOM 0 HZ3 LYS A 78 1.273 19.821 -4.522 1.00 12.00 H new ATOM 1292 N GLU A 79 5.474 12.393 -2.067 1.00 51.40 N ATOM 1293 CA GLU A 79 6.726 11.627 -2.200 1.00 52.54 C ATOM 1294 C GLU A 79 6.580 10.525 -3.257 1.00 61.43 C ATOM 1295 O GLU A 79 5.523 9.905 -3.373 1.00 51.32 O ATOM 1296 CB GLU A 79 7.128 11.001 -0.840 1.00 53.11 C ATOM 1297 CG GLU A 79 7.285 12.011 0.314 1.00 53.22 C ATOM 1298 CD GLU A 79 8.297 13.135 0.036 1.00 74.11 C ATOM 1299 OE1 GLU A 79 9.517 12.883 0.129 1.00 15.24 O ATOM 1300 OE2 GLU A 79 7.875 14.278 -0.256 1.00 50.35 O ATOM 0 H GLU A 79 4.922 12.127 -1.252 1.00 51.40 H new ATOM 0 HA GLU A 79 7.509 12.315 -2.518 1.00 52.54 H new ATOM 0 HB2 GLU A 79 6.376 10.263 -0.559 1.00 53.11 H new ATOM 0 HB3 GLU A 79 8.069 10.465 -0.966 1.00 53.11 H new ATOM 0 HG2 GLU A 79 6.313 12.457 0.526 1.00 53.22 H new ATOM 0 HG3 GLU A 79 7.592 11.475 1.212 1.00 53.22 H new ATOM 1307 N ARG A 80 7.670 10.286 -3.997 1.00 21.34 N ATOM 1308 CA ARG A 80 7.717 9.313 -5.104 1.00 3.43 C ATOM 1309 C ARG A 80 8.677 8.146 -4.770 1.00 33.43 C ATOM 1310 O ARG A 80 9.765 8.379 -4.221 1.00 64.10 O ATOM 1311 CB ARG A 80 8.155 10.025 -6.421 1.00 34.30 C ATOM 1312 CG ARG A 80 7.050 10.905 -7.043 1.00 12.31 C ATOM 1313 CD ARG A 80 7.572 11.839 -8.155 1.00 21.33 C ATOM 1314 NE ARG A 80 6.483 12.623 -8.767 1.00 50.02 N ATOM 1315 CZ ARG A 80 6.092 13.849 -8.385 1.00 73.14 C ATOM 1316 NH1 ARG A 80 6.684 14.471 -7.364 1.00 55.43 N ATOM 1317 NH2 ARG A 80 5.102 14.451 -9.033 1.00 21.44 N ATOM 0 H ARG A 80 8.557 10.767 -3.845 1.00 21.34 H new ATOM 0 HA ARG A 80 6.719 8.897 -5.244 1.00 3.43 H new ATOM 0 HB2 ARG A 80 9.029 10.644 -6.217 1.00 34.30 H new ATOM 0 HB3 ARG A 80 8.460 9.272 -7.147 1.00 34.30 H new ATOM 0 HG2 ARG A 80 6.270 10.263 -7.453 1.00 12.31 H new ATOM 0 HG3 ARG A 80 6.589 11.506 -6.259 1.00 12.31 H new ATOM 0 HD2 ARG A 80 8.319 12.516 -7.740 1.00 21.33 H new ATOM 0 HD3 ARG A 80 8.070 11.247 -8.923 1.00 21.33 H new ATOM 0 HE ARG A 80 5.984 12.197 -9.548 1.00 50.02 H new ATOM 0 HH11 ARG A 80 7.445 14.015 -6.861 1.00 55.43 H new ATOM 0 HH12 ARG A 80 6.375 15.403 -7.086 1.00 55.43 H new ATOM 0 HH21 ARG A 80 4.645 13.982 -9.815 1.00 21.44 H new ATOM 0 HH22 ARG A 80 4.799 15.383 -8.749 1.00 21.44 H new ATOM 1331 N PRO A 81 8.269 6.867 -5.069 1.00 5.40 N ATOM 1332 CA PRO A 81 9.143 5.671 -4.903 1.00 33.02 C ATOM 1333 C PRO A 81 10.412 5.701 -5.815 1.00 33.12 C ATOM 1334 O PRO A 81 10.311 5.848 -7.042 1.00 12.32 O ATOM 1335 CB PRO A 81 8.207 4.482 -5.270 1.00 5.30 C ATOM 1336 CG PRO A 81 6.813 5.025 -5.144 1.00 44.31 C ATOM 1337 CD PRO A 81 6.912 6.478 -5.550 1.00 60.45 C ATOM 0 HA PRO A 81 9.550 5.608 -3.894 1.00 33.02 H new ATOM 0 HB2 PRO A 81 8.401 4.126 -6.282 1.00 5.30 H new ATOM 0 HB3 PRO A 81 8.363 3.637 -4.599 1.00 5.30 H new ATOM 0 HG2 PRO A 81 6.120 4.483 -5.788 1.00 44.31 H new ATOM 0 HG3 PRO A 81 6.443 4.926 -4.123 1.00 44.31 H new ATOM 0 HD2 PRO A 81 6.814 6.604 -6.628 1.00 60.45 H new ATOM 0 HD3 PRO A 81 6.131 7.081 -5.087 1.00 60.45 H new ATOM 1345 N ARG A 82 11.587 5.559 -5.185 1.00 33.11 N ATOM 1346 CA ARG A 82 12.918 5.528 -5.846 1.00 23.21 C ATOM 1347 C ARG A 82 13.677 4.269 -5.381 1.00 20.40 C ATOM 1348 O ARG A 82 13.345 3.722 -4.333 1.00 63.43 O ATOM 1349 CB ARG A 82 13.702 6.813 -5.449 1.00 15.45 C ATOM 1350 CG ARG A 82 15.129 6.936 -6.036 1.00 3.33 C ATOM 1351 CD ARG A 82 15.912 8.123 -5.446 1.00 24.50 C ATOM 1352 NE ARG A 82 17.234 8.295 -6.071 1.00 23.25 N ATOM 1353 CZ ARG A 82 18.216 9.086 -5.595 1.00 31.42 C ATOM 1354 NH1 ARG A 82 18.045 9.798 -4.477 1.00 63.30 N ATOM 1355 NH2 ARG A 82 19.364 9.177 -6.256 1.00 75.13 N ATOM 0 H ARG A 82 11.649 5.459 -4.172 1.00 33.11 H new ATOM 0 HA ARG A 82 12.809 5.496 -6.930 1.00 23.21 H new ATOM 0 HB2 ARG A 82 13.123 7.681 -5.764 1.00 15.45 H new ATOM 0 HB3 ARG A 82 13.771 6.853 -4.362 1.00 15.45 H new ATOM 0 HG2 ARG A 82 15.677 6.013 -5.845 1.00 3.33 H new ATOM 0 HG3 ARG A 82 15.064 7.050 -7.118 1.00 3.33 H new ATOM 0 HD2 ARG A 82 15.332 9.037 -5.575 1.00 24.50 H new ATOM 0 HD3 ARG A 82 16.038 7.974 -4.374 1.00 24.50 H new ATOM 0 HE ARG A 82 17.421 7.776 -6.929 1.00 23.25 H new ATOM 0 HH11 ARG A 82 17.161 9.748 -3.970 1.00 63.30 H new ATOM 0 HH12 ARG A 82 18.798 10.392 -4.130 1.00 63.30 H new ATOM 0 HH21 ARG A 82 19.499 8.650 -7.119 1.00 75.13 H new ATOM 0 HH22 ARG A 82 20.111 9.774 -5.901 1.00 75.13 H new ATOM 1369 N LEU A 83 14.682 3.795 -6.153 1.00 24.03 N ATOM 1370 CA LEU A 83 15.526 2.651 -5.732 1.00 31.40 C ATOM 1371 C LEU A 83 16.257 3.002 -4.415 1.00 72.30 C ATOM 1372 O LEU A 83 17.186 3.810 -4.414 1.00 71.40 O ATOM 1373 CB LEU A 83 16.546 2.260 -6.843 1.00 12.14 C ATOM 1374 CG LEU A 83 17.467 1.025 -6.536 1.00 71.35 C ATOM 1375 CD1 LEU A 83 16.652 -0.275 -6.383 1.00 72.34 C ATOM 1376 CD2 LEU A 83 18.571 0.866 -7.608 1.00 2.22 C ATOM 0 H LEU A 83 14.928 4.183 -7.064 1.00 24.03 H new ATOM 0 HA LEU A 83 14.882 1.788 -5.564 1.00 31.40 H new ATOM 0 HB2 LEU A 83 15.993 2.055 -7.759 1.00 12.14 H new ATOM 0 HB3 LEU A 83 17.183 3.122 -7.041 1.00 12.14 H new ATOM 0 HG LEU A 83 17.953 1.218 -5.580 1.00 71.35 H new ATOM 0 HD11 LEU A 83 17.327 -1.105 -6.171 1.00 72.34 H new ATOM 0 HD12 LEU A 83 15.943 -0.166 -5.562 1.00 72.34 H new ATOM 0 HD13 LEU A 83 16.109 -0.475 -7.307 1.00 72.34 H new ATOM 0 HD21 LEU A 83 19.191 0.003 -7.366 1.00 2.22 H new ATOM 0 HD22 LEU A 83 18.111 0.720 -8.585 1.00 2.22 H new ATOM 0 HD23 LEU A 83 19.190 1.763 -7.629 1.00 2.22 H new ATOM 1388 N GLY A 84 15.782 2.427 -3.298 1.00 41.10 N ATOM 1389 CA GLY A 84 16.324 2.710 -1.958 1.00 55.53 C ATOM 1390 C GLY A 84 15.321 3.454 -1.090 1.00 45.10 C ATOM 1391 O GLY A 84 15.290 3.261 0.124 1.00 71.42 O ATOM 0 H GLY A 84 15.014 1.755 -3.298 1.00 41.10 H new ATOM 0 HA2 GLY A 84 16.601 1.774 -1.473 1.00 55.53 H new ATOM 0 HA3 GLY A 84 17.234 3.302 -2.051 1.00 55.53 H new ATOM 1395 N LYS A 85 14.500 4.319 -1.712 1.00 0.32 N ATOM 1396 CA LYS A 85 13.439 5.085 -1.018 1.00 12.54 C ATOM 1397 C LYS A 85 12.057 4.463 -1.308 1.00 54.22 C ATOM 1398 O LYS A 85 11.564 4.518 -2.434 1.00 51.53 O ATOM 1399 CB LYS A 85 13.451 6.594 -1.446 1.00 72.35 C ATOM 1400 CG LYS A 85 14.391 7.525 -0.637 1.00 31.32 C ATOM 1401 CD LYS A 85 15.898 7.228 -0.821 1.00 73.45 C ATOM 1402 CE LYS A 85 16.796 8.183 0.002 1.00 52.03 C ATOM 1403 NZ LYS A 85 16.589 8.040 1.474 1.00 31.34 N ATOM 0 H LYS A 85 14.551 4.510 -2.713 1.00 0.32 H new ATOM 0 HA LYS A 85 13.637 5.037 0.053 1.00 12.54 H new ATOM 0 HB2 LYS A 85 13.734 6.650 -2.497 1.00 72.35 H new ATOM 0 HB3 LYS A 85 12.435 6.981 -1.368 1.00 72.35 H new ATOM 0 HG2 LYS A 85 14.198 8.558 -0.928 1.00 31.32 H new ATOM 0 HG3 LYS A 85 14.143 7.441 0.421 1.00 31.32 H new ATOM 0 HD2 LYS A 85 16.101 6.199 -0.525 1.00 73.45 H new ATOM 0 HD3 LYS A 85 16.155 7.313 -1.877 1.00 73.45 H new ATOM 0 HE2 LYS A 85 17.842 7.987 -0.235 1.00 52.03 H new ATOM 0 HE3 LYS A 85 16.590 9.212 -0.292 1.00 52.03 H new ATOM 0 HZ1 LYS A 85 17.272 8.639 1.980 1.00 31.34 H new ATOM 0 HZ2 LYS A 85 15.622 8.335 1.719 1.00 31.34 H new ATOM 0 HZ3 LYS A 85 16.728 7.047 1.749 1.00 31.34 H new ATOM 1417 N ALA A 86 11.444 3.886 -0.277 1.00 45.23 N ATOM 1418 CA ALA A 86 10.077 3.336 -0.346 1.00 22.24 C ATOM 1419 C ALA A 86 9.132 4.235 0.455 1.00 50.21 C ATOM 1420 O ALA A 86 9.532 4.773 1.501 1.00 72.21 O ATOM 1421 CB ALA A 86 10.057 1.899 0.195 1.00 65.34 C ATOM 0 H ALA A 86 11.878 3.782 0.640 1.00 45.23 H new ATOM 0 HA ALA A 86 9.744 3.309 -1.383 1.00 22.24 H new ATOM 0 HB1 ALA A 86 9.043 1.503 0.139 1.00 65.34 H new ATOM 0 HB2 ALA A 86 10.723 1.276 -0.402 1.00 65.34 H new ATOM 0 HB3 ALA A 86 10.391 1.896 1.233 1.00 65.34 H new ATOM 1427 N VAL A 87 7.891 4.408 -0.031 1.00 53.31 N ATOM 1428 CA VAL A 87 6.878 5.211 0.668 1.00 23.10 C ATOM 1429 C VAL A 87 6.263 4.349 1.793 1.00 1.25 C ATOM 1430 O VAL A 87 5.301 3.606 1.569 1.00 40.31 O ATOM 1431 CB VAL A 87 5.769 5.758 -0.324 1.00 31.43 C ATOM 1432 CG1 VAL A 87 4.769 6.702 0.388 1.00 22.31 C ATOM 1433 CG2 VAL A 87 6.408 6.452 -1.555 1.00 25.11 C ATOM 0 H VAL A 87 7.566 4.000 -0.908 1.00 53.31 H new ATOM 0 HA VAL A 87 7.352 6.092 1.101 1.00 23.10 H new ATOM 0 HB VAL A 87 5.205 4.895 -0.678 1.00 31.43 H new ATOM 0 HG11 VAL A 87 4.027 7.053 -0.329 1.00 22.31 H new ATOM 0 HG12 VAL A 87 4.269 6.163 1.193 1.00 22.31 H new ATOM 0 HG13 VAL A 87 5.306 7.555 0.802 1.00 22.31 H new ATOM 0 HG21 VAL A 87 5.622 6.816 -2.216 1.00 25.11 H new ATOM 0 HG22 VAL A 87 7.020 7.290 -1.223 1.00 25.11 H new ATOM 0 HG23 VAL A 87 7.032 5.738 -2.092 1.00 25.11 H new ATOM 1443 N SER A 88 6.889 4.415 2.983 1.00 42.02 N ATOM 1444 CA SER A 88 6.406 3.750 4.192 1.00 53.45 C ATOM 1445 C SER A 88 5.250 4.573 4.756 1.00 60.00 C ATOM 1446 O SER A 88 5.457 5.655 5.325 1.00 44.21 O ATOM 1447 CB SER A 88 7.545 3.614 5.236 1.00 12.22 C ATOM 1448 OG SER A 88 7.132 2.873 6.381 1.00 40.34 O ATOM 0 H SER A 88 7.753 4.939 3.126 1.00 42.02 H new ATOM 0 HA SER A 88 6.064 2.743 3.953 1.00 53.45 H new ATOM 0 HB2 SER A 88 8.402 3.123 4.776 1.00 12.22 H new ATOM 0 HB3 SER A 88 7.874 4.606 5.545 1.00 12.22 H new ATOM 0 HG SER A 88 7.877 2.808 7.014 1.00 40.34 H new ATOM 1454 N ILE A 89 4.038 4.083 4.518 1.00 33.10 N ATOM 1455 CA ILE A 89 2.799 4.720 4.952 1.00 73.50 C ATOM 1456 C ILE A 89 2.520 4.337 6.414 1.00 4.04 C ATOM 1457 O ILE A 89 2.224 3.168 6.688 1.00 42.04 O ATOM 1458 CB ILE A 89 1.610 4.268 4.035 1.00 13.30 C ATOM 1459 CG1 ILE A 89 1.915 4.629 2.549 1.00 61.11 C ATOM 1460 CG2 ILE A 89 0.266 4.870 4.504 1.00 12.11 C ATOM 1461 CD1 ILE A 89 0.881 4.151 1.557 1.00 63.11 C ATOM 0 H ILE A 89 3.886 3.213 4.007 1.00 33.10 H new ATOM 0 HA ILE A 89 2.900 5.803 4.875 1.00 73.50 H new ATOM 0 HB ILE A 89 1.510 3.185 4.112 1.00 13.30 H new ATOM 0 HG12 ILE A 89 2.007 5.712 2.464 1.00 61.11 H new ATOM 0 HG13 ILE A 89 2.882 4.205 2.278 1.00 61.11 H new ATOM 0 HG21 ILE A 89 -0.533 4.534 3.844 1.00 12.11 H new ATOM 0 HG22 ILE A 89 0.057 4.543 5.523 1.00 12.11 H new ATOM 0 HG23 ILE A 89 0.325 5.958 4.477 1.00 12.11 H new ATOM 0 HD11 ILE A 89 1.177 4.448 0.551 1.00 63.11 H new ATOM 0 HD12 ILE A 89 0.804 3.065 1.607 1.00 63.11 H new ATOM 0 HD13 ILE A 89 -0.085 4.595 1.796 1.00 63.11 H new ATOM 1473 N PRO A 90 2.633 5.297 7.379 1.00 72.15 N ATOM 1474 CA PRO A 90 2.388 5.002 8.795 1.00 13.21 C ATOM 1475 C PRO A 90 0.883 4.816 9.081 1.00 25.42 C ATOM 1476 O PRO A 90 0.085 5.760 8.951 1.00 24.25 O ATOM 1477 CB PRO A 90 3.000 6.226 9.520 1.00 65.13 C ATOM 1478 CG PRO A 90 2.912 7.356 8.535 1.00 21.33 C ATOM 1479 CD PRO A 90 2.997 6.728 7.160 1.00 31.44 C ATOM 0 HA PRO A 90 2.832 4.065 9.130 1.00 13.21 H new ATOM 0 HB2 PRO A 90 2.451 6.457 10.433 1.00 65.13 H new ATOM 0 HB3 PRO A 90 4.034 6.036 9.809 1.00 65.13 H new ATOM 0 HG2 PRO A 90 1.978 7.905 8.655 1.00 21.33 H new ATOM 0 HG3 PRO A 90 3.722 8.069 8.688 1.00 21.33 H new ATOM 0 HD2 PRO A 90 2.313 7.209 6.461 1.00 31.44 H new ATOM 0 HD3 PRO A 90 3.999 6.823 6.742 1.00 31.44 H new ATOM 1487 N LEU A 91 0.504 3.578 9.436 1.00 51.11 N ATOM 1488 CA LEU A 91 -0.878 3.243 9.777 1.00 60.43 C ATOM 1489 C LEU A 91 -1.063 3.477 11.277 1.00 13.02 C ATOM 1490 O LEU A 91 -0.731 2.610 12.105 1.00 12.24 O ATOM 1491 CB LEU A 91 -1.225 1.783 9.361 1.00 22.34 C ATOM 1492 CG LEU A 91 -0.848 1.371 7.897 1.00 31.32 C ATOM 1493 CD1 LEU A 91 -1.365 -0.041 7.562 1.00 15.41 C ATOM 1494 CD2 LEU A 91 -1.332 2.407 6.870 1.00 51.15 C ATOM 0 H LEU A 91 1.147 2.788 9.493 1.00 51.11 H new ATOM 0 HA LEU A 91 -1.568 3.881 9.225 1.00 60.43 H new ATOM 0 HB2 LEU A 91 -0.722 1.103 10.048 1.00 22.34 H new ATOM 0 HB3 LEU A 91 -2.297 1.635 9.493 1.00 22.34 H new ATOM 0 HG LEU A 91 0.240 1.346 7.838 1.00 31.32 H new ATOM 0 HD11 LEU A 91 -1.087 -0.297 6.540 1.00 15.41 H new ATOM 0 HD12 LEU A 91 -0.924 -0.763 8.249 1.00 15.41 H new ATOM 0 HD13 LEU A 91 -2.450 -0.064 7.660 1.00 15.41 H new ATOM 0 HD21 LEU A 91 -1.051 2.084 5.868 1.00 51.15 H new ATOM 0 HD22 LEU A 91 -2.416 2.500 6.931 1.00 51.15 H new ATOM 0 HD23 LEU A 91 -0.872 3.372 7.083 1.00 51.15 H new ATOM 1506 N ASP A 92 -1.526 4.691 11.607 1.00 13.30 N ATOM 1507 CA ASP A 92 -1.626 5.182 12.990 1.00 13.24 C ATOM 1508 C ASP A 92 -2.849 4.545 13.674 1.00 41.13 C ATOM 1509 O ASP A 92 -3.958 5.098 13.666 1.00 21.22 O ATOM 1510 CB ASP A 92 -1.679 6.736 13.002 1.00 63.32 C ATOM 1511 CG ASP A 92 -1.570 7.353 14.410 1.00 55.02 C ATOM 1512 OD1 ASP A 92 -0.553 7.118 15.086 1.00 2.41 O ATOM 1513 OD2 ASP A 92 -2.480 8.094 14.841 1.00 0.12 O ATOM 0 H ASP A 92 -1.845 5.368 10.914 1.00 13.30 H new ATOM 0 HA ASP A 92 -0.742 4.889 13.557 1.00 13.24 H new ATOM 0 HB2 ASP A 92 -0.869 7.122 12.383 1.00 63.32 H new ATOM 0 HB3 ASP A 92 -2.613 7.062 12.545 1.00 63.32 H new ATOM 1518 N LEU A 93 -2.630 3.325 14.201 1.00 60.33 N ATOM 1519 CA LEU A 93 -3.694 2.454 14.726 1.00 72.14 C ATOM 1520 C LEU A 93 -3.552 2.260 16.242 1.00 21.54 C ATOM 1521 O LEU A 93 -3.051 1.229 16.717 1.00 13.43 O ATOM 1522 CB LEU A 93 -3.682 1.095 13.964 1.00 23.33 C ATOM 1523 CG LEU A 93 -3.971 1.176 12.432 1.00 74.42 C ATOM 1524 CD1 LEU A 93 -3.906 -0.215 11.767 1.00 31.31 C ATOM 1525 CD2 LEU A 93 -5.326 1.868 12.167 1.00 22.43 C ATOM 0 H LEU A 93 -1.699 2.914 14.274 1.00 60.33 H new ATOM 0 HA LEU A 93 -4.660 2.931 14.560 1.00 72.14 H new ATOM 0 HB2 LEU A 93 -2.708 0.628 14.107 1.00 23.33 H new ATOM 0 HB3 LEU A 93 -4.421 0.437 14.420 1.00 23.33 H new ATOM 0 HG LEU A 93 -3.189 1.784 11.976 1.00 74.42 H new ATOM 0 HD11 LEU A 93 -4.112 -0.119 10.701 1.00 31.31 H new ATOM 0 HD12 LEU A 93 -2.912 -0.639 11.907 1.00 31.31 H new ATOM 0 HD13 LEU A 93 -4.648 -0.871 12.222 1.00 31.31 H new ATOM 0 HD21 LEU A 93 -5.507 1.914 11.093 1.00 22.43 H new ATOM 0 HD22 LEU A 93 -6.124 1.301 12.646 1.00 22.43 H new ATOM 0 HD23 LEU A 93 -5.304 2.879 12.575 1.00 22.43 H new