USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 455 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 74 GLN : amide:sc= -0.849 K(o=-1,f=-5.7!) USER MOD Set 1.2: A 76 TYR OH : rot 28:sc= -0.166 USER MOD Single : A 6 ASN : amide:sc= -2.22 K(o=-2.2,f=-0.38) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot -99:sc= 1.27 USER MOD Single : A 28 TYR OH : rot 30:sc= -3.25! USER MOD Single : A 33 GLN : amide:sc= -0.0579 X(o=-0.058,f=-0.51) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -7.26 K(o=-7.3,f=-16!) USER MOD Single : A 40 HIS : no HD1:sc= -3.03 K(o=-3,f=-5.3!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HE2:sc= -1.36! C(o=-1.4!,f=-5.7!) USER MOD Single : A 46 LYS NZ :NH3+ -138:sc= -1.34 (180deg=-3.71!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -3.62 K(o=-3.6,f=-4.2!) USER MOD Single : A 52 SER OG : rot 52:sc= 1.13 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HE2:sc= -0.14 K(o=-0.14,f=-4.1!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0301 USER MOD Single : A 61 LYS NZ :NH3+ -150:sc= -0.863 (180deg=-2.22!) USER MOD Single : A 64 SER OG : rot -122:sc= 0.0866 USER MOD Single : A 70 THR OG1 : rot -140:sc= -0.51 USER MOD Single : A 75 GLN : amide:sc= -0.0129 X(o=-0.013,f=0) USER MOD ----------------------------------------------------------------- ATOM 21 N VAL A 5 1.825 7.361 -10.182 1.00 0.00 N ATOM 22 CA VAL A 5 1.567 7.710 -8.789 1.00 0.00 C ATOM 23 C VAL A 5 0.101 7.476 -8.434 1.00 0.00 C ATOM 24 O VAL A 5 -0.797 7.913 -9.154 1.00 0.00 O ATOM 25 CB VAL A 5 1.943 9.179 -8.464 1.00 0.00 C ATOM 26 CG1 VAL A 5 3.229 9.585 -9.167 1.00 0.00 C ATOM 27 CG2 VAL A 5 0.812 10.135 -8.823 1.00 0.00 C ATOM 0 HA VAL A 5 2.202 7.059 -8.188 1.00 0.00 H new ATOM 0 HB VAL A 5 2.108 9.242 -7.388 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.467 10.620 -8.920 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.042 8.937 -8.840 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.100 9.489 -10.245 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.108 11.156 -8.583 1.00 0.00 H new ATOM 0 HG22 VAL A 5 0.598 10.061 -9.889 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.080 9.873 -8.254 1.00 0.00 H new ATOM 31 N ASN A 6 -0.140 6.787 -7.323 1.00 0.00 N ATOM 32 CA ASN A 6 -1.504 6.506 -6.885 1.00 0.00 C ATOM 33 C ASN A 6 -1.504 5.785 -5.527 1.00 0.00 C ATOM 34 O ASN A 6 -0.917 6.284 -4.567 1.00 0.00 O ATOM 35 CB ASN A 6 -2.242 5.700 -7.961 1.00 0.00 C ATOM 36 CG ASN A 6 -3.709 6.076 -8.066 1.00 0.00 C ATOM 37 OD1 ASN A 6 -4.240 6.247 -9.162 1.00 0.00 O ATOM 38 ND2 ASN A 6 -4.372 6.209 -6.921 1.00 0.00 N ATOM 0 H ASN A 6 0.587 6.414 -6.712 1.00 0.00 H new ATOM 0 HA ASN A 6 -2.036 7.447 -6.746 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -1.759 5.860 -8.925 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -2.158 4.637 -7.735 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -5.360 6.462 -6.930 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -3.893 6.058 -6.034 1.00 0.00 H new ATOM 43 N GLU A 7 -2.162 4.626 -5.433 1.00 0.00 N ATOM 44 CA GLU A 7 -2.217 3.892 -4.174 1.00 0.00 C ATOM 45 C GLU A 7 -1.996 2.398 -4.389 1.00 0.00 C ATOM 46 O GLU A 7 -2.315 1.856 -5.447 1.00 0.00 O ATOM 47 CB GLU A 7 -3.566 4.119 -3.484 1.00 0.00 C ATOM 48 CG GLU A 7 -4.755 4.060 -4.430 1.00 0.00 C ATOM 49 CD GLU A 7 -5.585 5.329 -4.406 1.00 0.00 C ATOM 50 OE1 GLU A 7 -4.996 6.421 -4.272 1.00 0.00 O ATOM 51 OE2 GLU A 7 -6.825 5.230 -4.521 1.00 0.00 O ATOM 0 H GLU A 7 -2.658 4.183 -6.207 1.00 0.00 H new ATOM 0 HA GLU A 7 -1.416 4.268 -3.538 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -3.696 3.368 -2.704 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -3.553 5.091 -2.991 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -4.398 3.883 -5.445 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -5.386 3.213 -4.162 1.00 0.00 H new ATOM 58 N TRP A 8 -1.456 1.738 -3.368 1.00 0.00 N ATOM 59 CA TRP A 8 -1.198 0.304 -3.428 1.00 0.00 C ATOM 60 C TRP A 8 -2.415 -0.472 -2.925 1.00 0.00 C ATOM 61 O TRP A 8 -2.841 -0.291 -1.789 1.00 0.00 O ATOM 62 CB TRP A 8 0.045 -0.044 -2.597 1.00 0.00 C ATOM 63 CG TRP A 8 0.151 -1.500 -2.254 1.00 0.00 C ATOM 64 CD1 TRP A 8 0.776 -2.472 -2.979 1.00 0.00 C ATOM 65 CD2 TRP A 8 -0.387 -2.146 -1.097 1.00 0.00 C ATOM 66 NE1 TRP A 8 0.648 -3.684 -2.347 1.00 0.00 N ATOM 67 CE2 TRP A 8 -0.061 -3.510 -1.188 1.00 0.00 C ATOM 68 CE3 TRP A 8 -1.116 -1.702 0.007 1.00 0.00 C ATOM 69 CZ2 TRP A 8 -0.442 -4.432 -0.216 1.00 0.00 C ATOM 70 CZ3 TRP A 8 -1.490 -2.616 0.972 1.00 0.00 C ATOM 71 CH2 TRP A 8 -1.154 -3.968 0.854 1.00 0.00 C ATOM 0 H TRP A 8 -1.188 2.176 -2.487 1.00 0.00 H new ATOM 0 HA TRP A 8 -1.012 0.021 -4.464 1.00 0.00 H new ATOM 0 HB2 TRP A 8 0.936 0.256 -3.149 1.00 0.00 H new ATOM 0 HB3 TRP A 8 0.030 0.537 -1.675 1.00 0.00 H new ATOM 0 HD1 TRP A 8 1.295 -2.312 -3.912 1.00 0.00 H new ATOM 0 HE1 TRP A 8 1.021 -4.571 -2.686 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -1.383 -0.660 0.105 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -0.184 -5.477 -0.305 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -2.051 -2.281 1.832 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -1.463 -4.659 1.624 1.00 0.00 H new ATOM 82 N ALA A 9 -2.969 -1.332 -3.777 1.00 0.00 N ATOM 83 CA ALA A 9 -4.138 -2.132 -3.413 1.00 0.00 C ATOM 84 C ALA A 9 -3.773 -3.611 -3.305 1.00 0.00 C ATOM 85 O ALA A 9 -3.027 -4.133 -4.134 1.00 0.00 O ATOM 86 CB ALA A 9 -5.246 -1.943 -4.437 1.00 0.00 C ATOM 0 H ALA A 9 -2.628 -1.493 -4.725 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.492 -1.792 -2.440 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.110 -2.544 -4.154 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -5.532 -0.892 -4.474 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.892 -2.257 -5.419 1.00 0.00 H new ATOM 92 N ALA A 10 -4.297 -4.285 -2.285 1.00 0.00 N ATOM 93 CA ALA A 10 -4.005 -5.700 -2.098 1.00 0.00 C ATOM 94 C ALA A 10 -5.142 -6.443 -1.404 1.00 0.00 C ATOM 95 O ALA A 10 -6.094 -5.838 -0.912 1.00 0.00 O ATOM 96 CB ALA A 10 -2.719 -5.867 -1.311 1.00 0.00 C ATOM 0 H ALA A 10 -4.918 -3.880 -1.585 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.890 -6.139 -3.089 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -2.510 -6.928 -1.177 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.897 -5.401 -1.854 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.825 -5.392 -0.336 1.00 0.00 H new ATOM 102 N GLU A 11 -5.013 -7.765 -1.366 1.00 0.00 N ATOM 103 CA GLU A 11 -5.996 -8.641 -0.733 1.00 0.00 C ATOM 104 C GLU A 11 -5.292 -9.562 0.253 1.00 0.00 C ATOM 105 O GLU A 11 -4.416 -10.340 -0.131 1.00 0.00 O ATOM 106 CB GLU A 11 -6.709 -9.474 -1.789 1.00 0.00 C ATOM 107 CG GLU A 11 -8.220 -9.504 -1.643 1.00 0.00 C ATOM 108 CD GLU A 11 -8.784 -10.909 -1.740 1.00 0.00 C ATOM 109 OE1 GLU A 11 -8.081 -11.860 -1.334 1.00 0.00 O ATOM 110 OE2 GLU A 11 -9.927 -11.060 -2.221 1.00 0.00 O ATOM 0 H GLU A 11 -4.221 -8.262 -1.774 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.730 -8.032 -0.206 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.458 -9.082 -2.775 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.331 -10.495 -1.746 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.498 -9.070 -0.683 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.669 -8.881 -2.417 1.00 0.00 H new ATOM 117 N ILE A 12 -5.658 -9.467 1.522 1.00 0.00 N ATOM 118 CA ILE A 12 -5.031 -10.296 2.543 1.00 0.00 C ATOM 119 C ILE A 12 -5.976 -10.592 3.709 1.00 0.00 C ATOM 120 O ILE A 12 -6.404 -9.684 4.419 1.00 0.00 O ATOM 121 CB ILE A 12 -3.712 -9.653 3.068 1.00 0.00 C ATOM 122 CG1 ILE A 12 -3.748 -9.405 4.592 1.00 0.00 C ATOM 123 CG2 ILE A 12 -3.400 -8.360 2.323 1.00 0.00 C ATOM 124 CD1 ILE A 12 -4.468 -8.131 4.994 1.00 0.00 C ATOM 0 H ILE A 12 -6.377 -8.832 1.868 1.00 0.00 H new ATOM 0 HA ILE A 12 -4.788 -11.244 2.064 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.913 -10.369 2.874 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -4.233 -10.252 5.076 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.725 -9.366 4.968 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.475 -7.932 2.709 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.286 -8.571 1.260 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -4.215 -7.651 2.467 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.450 -8.030 6.079 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.971 -7.273 4.541 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.502 -8.174 4.651 1.00 0.00 H new ATOM 128 N PRO A 13 -6.320 -11.871 3.926 1.00 0.00 N ATOM 129 CA PRO A 13 -7.206 -12.277 5.025 1.00 0.00 C ATOM 130 C PRO A 13 -6.575 -12.024 6.398 1.00 0.00 C ATOM 131 O PRO A 13 -6.402 -12.951 7.189 1.00 0.00 O ATOM 132 CB PRO A 13 -7.384 -13.785 4.810 1.00 0.00 C ATOM 133 CG PRO A 13 -6.946 -14.042 3.410 1.00 0.00 C ATOM 134 CD PRO A 13 -5.889 -13.021 3.118 1.00 0.00 C ATOM 0 HA PRO A 13 -8.140 -11.714 5.017 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -6.785 -14.356 5.520 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -8.422 -14.083 4.957 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -6.553 -15.053 3.303 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -7.781 -13.949 2.716 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -4.898 -13.370 3.407 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -5.844 -12.776 2.057 1.00 0.00 H new ATOM 142 N GLY A 14 -6.231 -10.769 6.682 1.00 0.00 N ATOM 143 CA GLY A 14 -5.626 -10.442 7.958 1.00 0.00 C ATOM 144 C GLY A 14 -4.853 -9.137 7.928 1.00 0.00 C ATOM 145 O GLY A 14 -5.451 -8.064 7.860 1.00 0.00 O ATOM 0 H GLY A 14 -6.361 -9.977 6.052 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -6.405 -10.380 8.718 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.955 -11.249 8.254 1.00 0.00 H new ATOM 149 N GLY A 15 -3.522 -9.232 7.980 1.00 0.00 N ATOM 150 CA GLY A 15 -2.674 -8.047 7.958 1.00 0.00 C ATOM 151 C GLY A 15 -3.248 -6.882 8.748 1.00 0.00 C ATOM 152 O GLY A 15 -3.006 -5.726 8.415 1.00 0.00 O ATOM 0 H GLY A 15 -3.014 -10.115 8.037 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.694 -8.303 8.361 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.522 -7.736 6.924 1.00 0.00 H new ATOM 156 N GLN A 16 -4.011 -7.182 9.792 1.00 0.00 N ATOM 157 CA GLN A 16 -4.614 -6.140 10.612 1.00 0.00 C ATOM 158 C GLN A 16 -3.541 -5.300 11.294 1.00 0.00 C ATOM 159 O GLN A 16 -3.421 -4.102 11.039 1.00 0.00 O ATOM 160 CB GLN A 16 -5.543 -6.763 11.655 1.00 0.00 C ATOM 161 CG GLN A 16 -7.008 -6.747 11.250 1.00 0.00 C ATOM 162 CD GLN A 16 -7.937 -7.044 12.411 1.00 0.00 C ATOM 163 OE1 GLN A 16 -8.142 -6.205 13.287 1.00 0.00 O ATOM 164 NE2 GLN A 16 -8.503 -8.246 12.423 1.00 0.00 N ATOM 0 H GLN A 16 -4.226 -8.134 10.089 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.198 -5.486 9.964 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.235 -7.793 11.835 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.429 -6.227 12.597 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -7.255 -5.771 10.832 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -7.171 -7.482 10.462 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -8.304 -8.911 11.675 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.136 -8.504 13.180 1.00 0.00 H new ATOM 171 N GLU A 17 -2.760 -5.937 12.158 1.00 0.00 N ATOM 172 CA GLU A 17 -1.692 -5.246 12.870 1.00 0.00 C ATOM 173 C GLU A 17 -0.496 -5.004 11.954 1.00 0.00 C ATOM 174 O GLU A 17 0.318 -4.116 12.203 1.00 0.00 O ATOM 175 CB GLU A 17 -1.258 -6.058 14.092 1.00 0.00 C ATOM 176 CG GLU A 17 -2.421 -6.586 14.916 1.00 0.00 C ATOM 177 CD GLU A 17 -2.031 -6.884 16.351 1.00 0.00 C ATOM 178 OE1 GLU A 17 -2.134 -5.970 17.196 1.00 0.00 O ATOM 179 OE2 GLU A 17 -1.624 -8.031 16.628 1.00 0.00 O ATOM 0 H GLU A 17 -2.846 -6.928 12.382 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.074 -4.280 13.201 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.647 -6.898 13.761 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.627 -5.435 14.726 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.229 -5.855 14.907 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.807 -7.494 14.452 1.00 0.00 H new ATOM 186 N ALA A 18 -0.393 -5.803 10.894 1.00 0.00 N ATOM 187 CA ALA A 18 0.705 -5.678 9.944 1.00 0.00 C ATOM 188 C ALA A 18 0.461 -4.545 8.950 1.00 0.00 C ATOM 189 O ALA A 18 1.283 -3.640 8.820 1.00 0.00 O ATOM 190 CB ALA A 18 0.913 -6.992 9.205 1.00 0.00 C ATOM 0 H ALA A 18 -1.058 -6.544 10.673 1.00 0.00 H new ATOM 0 HA ALA A 18 1.607 -5.437 10.507 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.736 -6.886 8.498 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.149 -7.779 9.921 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.003 -7.254 8.665 1.00 0.00 H new ATOM 196 N ALA A 19 -0.673 -4.603 8.253 1.00 0.00 N ATOM 197 CA ALA A 19 -1.026 -3.584 7.267 1.00 0.00 C ATOM 198 C ALA A 19 -0.944 -2.190 7.867 1.00 0.00 C ATOM 199 O ALA A 19 -0.366 -1.275 7.277 1.00 0.00 O ATOM 200 CB ALA A 19 -2.420 -3.850 6.717 1.00 0.00 C ATOM 0 H ALA A 19 -1.364 -5.347 8.354 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.309 -3.636 6.448 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.674 -3.085 5.983 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.443 -4.831 6.242 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.144 -3.825 7.532 1.00 0.00 H new ATOM 206 N SER A 20 -1.520 -2.038 9.049 1.00 0.00 N ATOM 207 CA SER A 20 -1.510 -0.762 9.744 1.00 0.00 C ATOM 208 C SER A 20 -0.114 -0.446 10.269 1.00 0.00 C ATOM 209 O SER A 20 0.246 0.717 10.448 1.00 0.00 O ATOM 210 CB SER A 20 -2.514 -0.777 10.898 1.00 0.00 C ATOM 211 OG SER A 20 -2.233 -1.829 11.805 1.00 0.00 O ATOM 0 H SER A 20 -2.002 -2.786 9.548 1.00 0.00 H new ATOM 0 HA SER A 20 -1.798 0.015 9.036 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.484 0.178 11.423 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.524 -0.892 10.504 1.00 0.00 H new ATOM 0 HG SER A 20 -2.823 -2.589 11.618 1.00 0.00 H new ATOM 217 N ALA A 21 0.665 -1.494 10.520 1.00 0.00 N ATOM 218 CA ALA A 21 2.017 -1.334 11.031 1.00 0.00 C ATOM 219 C ALA A 21 2.970 -0.833 9.952 1.00 0.00 C ATOM 220 O ALA A 21 3.906 -0.087 10.239 1.00 0.00 O ATOM 221 CB ALA A 21 2.523 -2.647 11.609 1.00 0.00 C ATOM 0 H ALA A 21 0.380 -2.463 10.377 1.00 0.00 H new ATOM 0 HA ALA A 21 1.984 -0.584 11.821 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.536 -2.511 11.987 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.870 -2.962 12.423 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.526 -3.410 10.831 1.00 0.00 H new ATOM 227 N ILE A 22 2.730 -1.246 8.712 1.00 0.00 N ATOM 228 CA ILE A 22 3.577 -0.833 7.599 1.00 0.00 C ATOM 229 C ILE A 22 3.473 0.666 7.376 1.00 0.00 C ATOM 230 O ILE A 22 4.477 1.376 7.366 1.00 0.00 O ATOM 231 CB ILE A 22 3.218 -1.548 6.276 1.00 0.00 C ATOM 232 CG1 ILE A 22 2.482 -2.869 6.529 1.00 0.00 C ATOM 233 CG2 ILE A 22 4.479 -1.785 5.464 1.00 0.00 C ATOM 234 CD1 ILE A 22 2.318 -3.726 5.292 1.00 0.00 C ATOM 0 H ILE A 22 1.960 -1.863 8.453 1.00 0.00 H new ATOM 0 HA ILE A 22 4.594 -1.111 7.875 1.00 0.00 H new ATOM 0 HB ILE A 22 2.543 -0.904 5.713 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.025 -3.438 7.284 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.497 -2.652 6.942 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.222 -2.289 4.532 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.953 -0.829 5.241 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.168 -2.407 6.035 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.788 -4.643 5.552 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.748 -3.178 4.542 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.300 -3.976 4.890 1.00 0.00 H new ATOM 238 N ALA A 23 2.244 1.142 7.202 1.00 0.00 N ATOM 239 CA ALA A 23 1.994 2.560 6.979 1.00 0.00 C ATOM 240 C ALA A 23 2.734 3.404 8.010 1.00 0.00 C ATOM 241 O ALA A 23 3.301 4.449 7.691 1.00 0.00 O ATOM 242 CB ALA A 23 0.498 2.845 7.026 1.00 0.00 C ATOM 0 H ALA A 23 1.404 0.564 7.211 1.00 0.00 H new ATOM 0 HA ALA A 23 2.367 2.827 5.990 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.325 3.908 6.858 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.007 2.268 6.251 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.104 2.563 8.003 1.00 0.00 H new ATOM 248 N GLU A 24 2.721 2.933 9.248 1.00 0.00 N ATOM 249 CA GLU A 24 3.387 3.619 10.345 1.00 0.00 C ATOM 250 C GLU A 24 4.885 3.325 10.358 1.00 0.00 C ATOM 251 O GLU A 24 5.681 4.124 10.852 1.00 0.00 O ATOM 252 CB GLU A 24 2.772 3.192 11.674 1.00 0.00 C ATOM 253 CG GLU A 24 1.269 3.406 11.750 1.00 0.00 C ATOM 254 CD GLU A 24 0.629 2.648 12.896 1.00 0.00 C ATOM 255 OE1 GLU A 24 1.323 2.402 13.905 1.00 0.00 O ATOM 256 OE2 GLU A 24 -0.565 2.299 12.784 1.00 0.00 O ATOM 0 H GLU A 24 2.251 2.069 9.520 1.00 0.00 H new ATOM 0 HA GLU A 24 3.250 4.691 10.202 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.989 2.137 11.842 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.250 3.748 12.481 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.063 4.470 11.863 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.813 3.091 10.811 1.00 0.00 H new ATOM 263 N GLU A 25 5.256 2.163 9.832 1.00 0.00 N ATOM 264 CA GLU A 25 6.656 1.742 9.799 1.00 0.00 C ATOM 265 C GLU A 25 7.478 2.589 8.831 1.00 0.00 C ATOM 266 O GLU A 25 8.536 3.103 9.190 1.00 0.00 O ATOM 267 CB GLU A 25 6.755 0.264 9.413 1.00 0.00 C ATOM 268 CG GLU A 25 7.155 -0.640 10.568 1.00 0.00 C ATOM 269 CD GLU A 25 6.458 -1.986 10.523 1.00 0.00 C ATOM 270 OE1 GLU A 25 6.087 -2.426 9.415 1.00 0.00 O ATOM 271 OE2 GLU A 25 6.286 -2.601 11.597 1.00 0.00 O ATOM 0 H GLU A 25 4.606 1.493 9.421 1.00 0.00 H new ATOM 0 HA GLU A 25 7.066 1.884 10.799 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.793 -0.066 9.020 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.482 0.155 8.608 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.234 -0.793 10.548 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.921 -0.145 11.510 1.00 0.00 H new ATOM 278 N LEU A 26 6.987 2.731 7.606 1.00 0.00 N ATOM 279 CA LEU A 26 7.684 3.516 6.596 1.00 0.00 C ATOM 280 C LEU A 26 7.099 4.916 6.529 1.00 0.00 C ATOM 281 O LEU A 26 7.792 5.907 6.763 1.00 0.00 O ATOM 282 CB LEU A 26 7.603 2.844 5.215 1.00 0.00 C ATOM 283 CG LEU A 26 6.715 1.596 5.122 1.00 0.00 C ATOM 284 CD1 LEU A 26 5.310 1.968 4.679 1.00 0.00 C ATOM 285 CD2 LEU A 26 7.320 0.591 4.160 1.00 0.00 C ATOM 0 H LEU A 26 6.112 2.314 7.289 1.00 0.00 H new ATOM 0 HA LEU A 26 8.734 3.578 6.881 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.238 3.579 4.497 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.612 2.571 4.907 1.00 0.00 H new ATOM 0 HG LEU A 26 6.655 1.143 6.112 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.697 1.069 4.620 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.872 2.659 5.400 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.351 2.444 3.699 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.680 -0.289 4.104 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.407 1.041 3.171 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.309 0.299 4.513 1.00 0.00 H new ATOM 291 N GLY A 27 5.815 4.985 6.214 1.00 0.00 N ATOM 292 CA GLY A 27 5.143 6.269 6.129 1.00 0.00 C ATOM 293 C GLY A 27 4.087 6.312 5.043 1.00 0.00 C ATOM 294 O GLY A 27 4.300 6.899 3.983 1.00 0.00 O ATOM 0 H GLY A 27 5.225 4.177 6.015 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.679 6.495 7.089 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.882 7.048 5.941 1.00 0.00 H new ATOM 298 N TYR A 28 2.943 5.688 5.309 1.00 0.00 N ATOM 299 CA TYR A 28 1.850 5.659 4.344 1.00 0.00 C ATOM 300 C TYR A 28 0.499 5.580 5.043 1.00 0.00 C ATOM 301 O TYR A 28 0.423 5.467 6.266 1.00 0.00 O ATOM 302 CB TYR A 28 2.002 4.462 3.408 1.00 0.00 C ATOM 303 CG TYR A 28 2.986 4.684 2.287 1.00 0.00 C ATOM 304 CD1 TYR A 28 4.353 4.611 2.516 1.00 0.00 C ATOM 305 CD2 TYR A 28 2.549 4.964 1.000 1.00 0.00 C ATOM 306 CE1 TYR A 28 5.259 4.811 1.494 1.00 0.00 C ATOM 307 CE2 TYR A 28 3.446 5.165 -0.029 1.00 0.00 C ATOM 308 CZ TYR A 28 4.799 5.088 0.222 1.00 0.00 C ATOM 309 OH TYR A 28 5.692 5.295 -0.802 1.00 0.00 O ATOM 0 H TYR A 28 2.750 5.197 6.182 1.00 0.00 H new ATOM 0 HA TYR A 28 1.893 6.584 3.769 1.00 0.00 H new ATOM 0 HB2 TYR A 28 2.318 3.596 3.990 1.00 0.00 H new ATOM 0 HB3 TYR A 28 1.028 4.221 2.981 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.714 4.394 3.511 1.00 0.00 H new ATOM 0 HD2 TYR A 28 1.489 5.026 0.801 1.00 0.00 H new ATOM 0 HE1 TYR A 28 6.320 4.751 1.688 1.00 0.00 H new ATOM 0 HE2 TYR A 28 3.090 5.381 -1.025 1.00 0.00 H new ATOM 0 HH TYR A 28 6.507 4.777 -0.635 1.00 0.00 H new ATOM 319 N ASP A 29 -0.563 5.615 4.248 1.00 0.00 N ATOM 320 CA ASP A 29 -1.917 5.521 4.771 1.00 0.00 C ATOM 321 C ASP A 29 -2.540 4.202 4.336 1.00 0.00 C ATOM 322 O ASP A 29 -3.057 4.084 3.226 1.00 0.00 O ATOM 323 CB ASP A 29 -2.771 6.692 4.284 1.00 0.00 C ATOM 324 CG ASP A 29 -2.243 8.031 4.758 1.00 0.00 C ATOM 325 OD1 ASP A 29 -1.409 8.628 4.044 1.00 0.00 O ATOM 326 OD2 ASP A 29 -2.662 8.485 5.844 1.00 0.00 O ATOM 0 H ASP A 29 -0.510 5.708 3.234 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.875 5.562 5.859 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.806 6.684 3.195 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -3.794 6.563 4.637 1.00 0.00 H new ATOM 331 N LEU A 30 -2.475 3.210 5.214 1.00 0.00 N ATOM 332 CA LEU A 30 -3.017 1.893 4.916 1.00 0.00 C ATOM 333 C LEU A 30 -4.481 1.810 5.314 1.00 0.00 C ATOM 334 O LEU A 30 -4.845 2.163 6.435 1.00 0.00 O ATOM 335 CB LEU A 30 -2.211 0.822 5.653 1.00 0.00 C ATOM 336 CG LEU A 30 -2.819 -0.584 5.654 1.00 0.00 C ATOM 337 CD1 LEU A 30 -3.775 -0.754 6.820 1.00 0.00 C ATOM 338 CD2 LEU A 30 -3.511 -0.884 4.331 1.00 0.00 C ATOM 0 H LEU A 30 -2.052 3.293 6.138 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.944 1.723 3.842 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.219 0.768 5.206 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.078 1.141 6.687 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.008 -1.302 5.773 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.196 -1.759 6.802 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.238 -0.602 7.756 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.579 -0.023 6.741 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.933 -1.889 4.361 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.309 -0.160 4.165 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.787 -0.818 3.519 1.00 0.00 H new ATOM 344 N LEU A 31 -5.322 1.332 4.397 1.00 0.00 N ATOM 345 CA LEU A 31 -6.736 1.206 4.671 1.00 0.00 C ATOM 346 C LEU A 31 -7.336 -0.012 3.991 1.00 0.00 C ATOM 347 O LEU A 31 -7.681 0.015 2.810 1.00 0.00 O ATOM 348 CB LEU A 31 -7.514 2.456 4.238 1.00 0.00 C ATOM 349 CG LEU A 31 -7.032 3.794 4.808 1.00 0.00 C ATOM 350 CD1 LEU A 31 -6.933 3.737 6.325 1.00 0.00 C ATOM 351 CD2 LEU A 31 -5.697 4.194 4.191 1.00 0.00 C ATOM 0 H LEU A 31 -5.041 1.029 3.464 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.825 1.089 5.751 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.482 2.518 3.150 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.559 2.322 4.519 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.768 4.555 4.549 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.589 4.699 6.704 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.913 3.511 6.745 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.226 2.959 6.615 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.373 5.147 4.610 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.951 3.430 4.410 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.810 4.292 3.111 1.00 0.00 H new ATOM 357 N GLY A 32 -7.465 -1.069 4.765 1.00 0.00 N ATOM 358 CA GLY A 32 -8.037 -2.302 4.265 1.00 0.00 C ATOM 359 C GLY A 32 -9.247 -2.750 5.059 1.00 0.00 C ATOM 360 O GLY A 32 -9.150 -3.650 5.893 1.00 0.00 O ATOM 0 H GLY A 32 -7.181 -1.099 5.744 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.322 -2.169 3.221 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.280 -3.086 4.291 1.00 0.00 H new ATOM 364 N GLN A 33 -10.391 -2.125 4.803 1.00 0.00 N ATOM 365 CA GLN A 33 -11.617 -2.476 5.508 1.00 0.00 C ATOM 366 C GLN A 33 -12.851 -2.221 4.644 1.00 0.00 C ATOM 367 O GLN A 33 -13.659 -1.343 4.946 1.00 0.00 O ATOM 368 CB GLN A 33 -11.721 -1.687 6.815 1.00 0.00 C ATOM 369 CG GLN A 33 -12.336 -2.479 7.956 1.00 0.00 C ATOM 370 CD GLN A 33 -12.991 -1.592 8.997 1.00 0.00 C ATOM 371 OE1 GLN A 33 -13.703 -0.646 8.663 1.00 0.00 O ATOM 372 NE2 GLN A 33 -12.754 -1.897 10.268 1.00 0.00 N ATOM 0 H GLN A 33 -10.494 -1.377 4.117 1.00 0.00 H new ATOM 0 HA GLN A 33 -11.577 -3.542 5.733 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -10.725 -1.355 7.109 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -12.318 -0.791 6.642 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -13.077 -3.170 7.555 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -11.563 -3.082 8.433 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -12.157 -2.691 10.499 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -13.169 -1.337 11.013 1.00 0.00 H new ATOM 379 N ILE A 34 -13.003 -3.001 3.576 1.00 0.00 N ATOM 380 CA ILE A 34 -14.154 -2.854 2.693 1.00 0.00 C ATOM 381 C ILE A 34 -15.366 -3.534 3.299 1.00 0.00 C ATOM 382 O ILE A 34 -16.501 -3.083 3.144 1.00 0.00 O ATOM 383 CB ILE A 34 -13.892 -3.455 1.292 1.00 0.00 C ATOM 384 CG1 ILE A 34 -12.740 -2.729 0.599 1.00 0.00 C ATOM 385 CG2 ILE A 34 -15.147 -3.382 0.434 1.00 0.00 C ATOM 386 CD1 ILE A 34 -11.400 -2.939 1.267 1.00 0.00 C ATOM 0 H ILE A 34 -12.349 -3.735 3.304 1.00 0.00 H new ATOM 0 HA ILE A 34 -14.336 -1.785 2.580 1.00 0.00 H new ATOM 0 HB ILE A 34 -13.616 -4.502 1.420 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -12.678 -3.068 -0.435 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -12.959 -1.662 0.571 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -14.942 -3.810 -0.547 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -15.949 -3.943 0.914 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -15.450 -2.341 0.320 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -10.631 -2.394 0.720 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -11.444 -2.573 2.293 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -11.158 -4.002 1.271 1.00 0.00 H new ATOM 390 N GLY A 35 -15.105 -4.632 3.980 1.00 0.00 N ATOM 391 CA GLY A 35 -16.167 -5.396 4.606 1.00 0.00 C ATOM 392 C GLY A 35 -16.684 -6.493 3.699 1.00 0.00 C ATOM 393 O GLY A 35 -16.938 -7.611 4.143 1.00 0.00 O ATOM 0 H GLY A 35 -14.169 -5.015 4.114 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -15.800 -5.835 5.534 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -16.987 -4.728 4.872 1.00 0.00 H new ATOM 397 N SER A 36 -16.826 -6.168 2.417 1.00 0.00 N ATOM 398 CA SER A 36 -17.301 -7.128 1.431 1.00 0.00 C ATOM 399 C SER A 36 -16.386 -8.345 1.387 1.00 0.00 C ATOM 400 O SER A 36 -16.741 -9.424 1.865 1.00 0.00 O ATOM 401 CB SER A 36 -17.360 -6.470 0.051 1.00 0.00 C ATOM 402 OG SER A 36 -17.539 -7.436 -0.970 1.00 0.00 O ATOM 0 H SER A 36 -16.618 -5.244 2.038 1.00 0.00 H new ATOM 0 HA SER A 36 -18.301 -7.455 1.716 1.00 0.00 H new ATOM 0 HB2 SER A 36 -18.179 -5.751 0.023 1.00 0.00 H new ATOM 0 HB3 SER A 36 -16.440 -5.913 -0.129 1.00 0.00 H new ATOM 0 HG SER A 36 -17.575 -6.988 -1.841 1.00 0.00 H new ATOM 408 N LEU A 37 -15.205 -8.161 0.811 1.00 0.00 N ATOM 409 CA LEU A 37 -14.227 -9.237 0.701 1.00 0.00 C ATOM 410 C LEU A 37 -13.462 -9.436 2.005 1.00 0.00 C ATOM 411 O LEU A 37 -12.799 -10.455 2.195 1.00 0.00 O ATOM 412 CB LEU A 37 -13.243 -8.946 -0.433 1.00 0.00 C ATOM 413 CG LEU A 37 -12.794 -7.485 -0.561 1.00 0.00 C ATOM 414 CD1 LEU A 37 -12.538 -6.859 0.804 1.00 0.00 C ATOM 415 CD2 LEU A 37 -11.543 -7.399 -1.413 1.00 0.00 C ATOM 0 H LEU A 37 -14.900 -7.274 0.411 1.00 0.00 H new ATOM 0 HA LEU A 37 -14.773 -10.155 0.483 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -12.359 -9.568 -0.292 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.700 -9.251 -1.374 1.00 0.00 H new ATOM 0 HG LEU A 37 -13.599 -6.928 -1.041 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -12.222 -5.824 0.676 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -13.453 -6.888 1.395 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -11.756 -7.417 1.319 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -11.232 -6.358 -1.498 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -10.746 -7.979 -0.948 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -11.751 -7.798 -2.406 1.00 0.00 H new ATOM 421 N GLU A 38 -13.574 -8.460 2.899 1.00 0.00 N ATOM 422 CA GLU A 38 -12.913 -8.504 4.201 1.00 0.00 C ATOM 423 C GLU A 38 -11.542 -9.164 4.140 1.00 0.00 C ATOM 424 O GLU A 38 -11.395 -10.339 4.471 1.00 0.00 O ATOM 425 CB GLU A 38 -13.789 -9.242 5.187 1.00 0.00 C ATOM 426 CG GLU A 38 -14.314 -10.551 4.635 1.00 0.00 C ATOM 427 CD GLU A 38 -15.098 -11.349 5.658 1.00 0.00 C ATOM 428 OE1 GLU A 38 -14.477 -11.869 6.609 1.00 0.00 O ATOM 429 OE2 GLU A 38 -16.334 -11.454 5.509 1.00 0.00 O ATOM 0 H GLU A 38 -14.125 -7.616 2.743 1.00 0.00 H new ATOM 0 HA GLU A 38 -12.761 -7.474 4.523 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -13.221 -9.437 6.096 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -14.630 -8.607 5.467 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -14.951 -10.347 3.774 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -13.477 -11.151 4.277 1.00 0.00 H new ATOM 436 N ASN A 39 -10.548 -8.385 3.730 1.00 0.00 N ATOM 437 CA ASN A 39 -9.165 -8.863 3.625 1.00 0.00 C ATOM 438 C ASN A 39 -8.304 -7.879 2.840 1.00 0.00 C ATOM 439 O ASN A 39 -7.094 -7.799 3.035 1.00 0.00 O ATOM 440 CB ASN A 39 -9.118 -10.263 2.990 1.00 0.00 C ATOM 441 CG ASN A 39 -9.072 -10.236 1.477 1.00 0.00 C ATOM 442 OD1 ASN A 39 -8.053 -10.566 0.870 1.00 0.00 O ATOM 443 ND2 ASN A 39 -10.180 -9.848 0.863 1.00 0.00 N ATOM 0 H ASN A 39 -10.671 -7.409 3.461 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.756 -8.935 4.633 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.242 -10.794 3.363 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -9.994 -10.828 3.309 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.213 -9.814 -0.156 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -11.000 -9.584 1.409 1.00 0.00 H new ATOM 448 N HIS A 40 -8.945 -7.138 1.958 1.00 0.00 N ATOM 449 CA HIS A 40 -8.275 -6.144 1.134 1.00 0.00 C ATOM 450 C HIS A 40 -7.600 -5.083 1.995 1.00 0.00 C ATOM 451 O HIS A 40 -8.099 -4.724 3.060 1.00 0.00 O ATOM 452 CB HIS A 40 -9.289 -5.477 0.206 1.00 0.00 C ATOM 453 CG HIS A 40 -8.734 -5.113 -1.136 1.00 0.00 C ATOM 454 ND1 HIS A 40 -8.373 -6.049 -2.081 1.00 0.00 N ATOM 455 CD2 HIS A 40 -8.482 -3.904 -1.691 1.00 0.00 C ATOM 456 CE1 HIS A 40 -7.924 -5.433 -3.159 1.00 0.00 C ATOM 457 NE2 HIS A 40 -7.980 -4.132 -2.949 1.00 0.00 N ATOM 0 H HIS A 40 -9.949 -7.206 1.790 1.00 0.00 H new ATOM 0 HA HIS A 40 -7.509 -6.649 0.545 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -10.137 -6.148 0.068 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -9.670 -4.576 0.687 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -8.645 -2.941 -1.231 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -7.571 -5.913 -4.060 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -7.696 -3.412 -3.613 1.00 0.00 H new ATOM 466 N TYR A 41 -6.472 -4.580 1.513 1.00 0.00 N ATOM 467 CA TYR A 41 -5.723 -3.547 2.216 1.00 0.00 C ATOM 468 C TYR A 41 -4.976 -2.684 1.209 1.00 0.00 C ATOM 469 O TYR A 41 -4.292 -3.203 0.327 1.00 0.00 O ATOM 470 CB TYR A 41 -4.762 -4.178 3.228 1.00 0.00 C ATOM 471 CG TYR A 41 -5.397 -4.447 4.579 1.00 0.00 C ATOM 472 CD1 TYR A 41 -6.164 -5.588 4.797 1.00 0.00 C ATOM 473 CD2 TYR A 41 -5.232 -3.560 5.637 1.00 0.00 C ATOM 474 CE1 TYR A 41 -6.745 -5.834 6.027 1.00 0.00 C ATOM 475 CE2 TYR A 41 -5.810 -3.802 6.869 1.00 0.00 C ATOM 476 CZ TYR A 41 -6.564 -4.939 7.059 1.00 0.00 C ATOM 477 OH TYR A 41 -7.140 -5.183 8.285 1.00 0.00 O ATOM 0 H TYR A 41 -6.053 -4.873 0.631 1.00 0.00 H new ATOM 0 HA TYR A 41 -6.415 -2.912 2.770 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -4.382 -5.115 2.821 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -3.905 -3.518 3.363 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -6.308 -6.293 3.992 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -4.642 -2.667 5.494 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -7.338 -6.724 6.178 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -5.671 -3.102 7.680 1.00 0.00 H new ATOM 0 HH TYR A 41 -6.915 -4.456 8.903 1.00 0.00 H new ATOM 487 N LEU A 42 -5.134 -1.364 1.312 1.00 0.00 N ATOM 488 CA LEU A 42 -4.487 -0.462 0.364 1.00 0.00 C ATOM 489 C LEU A 42 -3.742 0.678 1.054 1.00 0.00 C ATOM 490 O LEU A 42 -4.108 1.108 2.145 1.00 0.00 O ATOM 491 CB LEU A 42 -5.526 0.078 -0.624 1.00 0.00 C ATOM 492 CG LEU A 42 -5.987 1.523 -0.398 1.00 0.00 C ATOM 493 CD1 LEU A 42 -5.867 2.315 -1.686 1.00 0.00 C ATOM 494 CD2 LEU A 42 -7.413 1.551 0.126 1.00 0.00 C ATOM 0 H LEU A 42 -5.694 -0.904 2.029 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.734 -1.034 -0.179 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.114 0.003 -1.630 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.401 -0.570 -0.589 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.344 1.985 0.351 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.197 3.340 -1.515 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.828 2.318 -2.016 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.490 1.857 -2.454 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.724 2.584 0.281 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.076 1.077 -0.598 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.464 1.012 1.072 1.00 0.00 H new ATOM 500 N PHE A 43 -2.695 1.165 0.390 1.00 0.00 N ATOM 501 CA PHE A 43 -1.881 2.258 0.911 1.00 0.00 C ATOM 502 C PHE A 43 -1.988 3.489 0.012 1.00 0.00 C ATOM 503 O PHE A 43 -2.103 3.368 -1.206 1.00 0.00 O ATOM 504 CB PHE A 43 -0.414 1.830 0.995 1.00 0.00 C ATOM 505 CG PHE A 43 -0.084 0.947 2.166 1.00 0.00 C ATOM 506 CD1 PHE A 43 -0.904 -0.115 2.518 1.00 0.00 C ATOM 507 CD2 PHE A 43 1.061 1.178 2.908 1.00 0.00 C ATOM 508 CE1 PHE A 43 -0.585 -0.928 3.589 1.00 0.00 C ATOM 509 CE2 PHE A 43 1.384 0.370 3.978 1.00 0.00 C ATOM 510 CZ PHE A 43 0.560 -0.686 4.319 1.00 0.00 C ATOM 0 H PHE A 43 -2.390 0.815 -0.518 1.00 0.00 H new ATOM 0 HA PHE A 43 -2.250 2.507 1.906 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -0.149 1.306 0.076 1.00 0.00 H new ATOM 0 HB3 PHE A 43 0.209 2.723 1.044 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.801 -0.309 1.949 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.709 2.001 2.646 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.231 -1.752 3.854 1.00 0.00 H new ATOM 0 HE2 PHE A 43 2.280 0.562 4.549 1.00 0.00 H new ATOM 0 HZ PHE A 43 0.812 -1.321 5.156 1.00 0.00 H new ATOM 520 N LYS A 44 -1.935 4.672 0.617 1.00 0.00 N ATOM 521 CA LYS A 44 -2.012 5.920 -0.139 1.00 0.00 C ATOM 522 C LYS A 44 -1.152 6.999 0.512 1.00 0.00 C ATOM 523 O LYS A 44 -1.495 7.519 1.574 1.00 0.00 O ATOM 524 CB LYS A 44 -3.461 6.408 -0.237 1.00 0.00 C ATOM 525 CG LYS A 44 -4.475 5.292 -0.426 1.00 0.00 C ATOM 526 CD LYS A 44 -4.979 4.772 0.912 1.00 0.00 C ATOM 527 CE LYS A 44 -6.432 5.147 1.147 1.00 0.00 C ATOM 528 NZ LYS A 44 -6.583 6.584 1.507 1.00 0.00 N ATOM 0 H LYS A 44 -1.839 4.794 1.625 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.636 5.724 -1.143 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.710 6.962 0.668 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.544 7.106 -1.070 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.315 5.657 -1.017 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.021 4.476 -0.988 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.873 3.688 0.945 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.364 5.177 1.715 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.012 4.935 0.249 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.842 4.528 1.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.589 6.800 1.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.051 6.781 2.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.215 7.176 0.735 1.00 0.00 H new ATOM 542 N HIS A 45 -0.037 7.336 -0.128 1.00 0.00 N ATOM 543 CA HIS A 45 0.862 8.356 0.400 1.00 0.00 C ATOM 544 C HIS A 45 1.745 8.947 -0.696 1.00 0.00 C ATOM 545 O HIS A 45 2.905 8.565 -0.844 1.00 0.00 O ATOM 546 CB HIS A 45 1.737 7.773 1.510 1.00 0.00 C ATOM 547 CG HIS A 45 2.037 8.746 2.607 1.00 0.00 C ATOM 548 ND1 HIS A 45 1.278 8.844 3.756 1.00 0.00 N ATOM 549 CD2 HIS A 45 3.020 9.670 2.728 1.00 0.00 C ATOM 550 CE1 HIS A 45 1.782 9.785 4.534 1.00 0.00 C ATOM 551 NE2 HIS A 45 2.838 10.301 3.934 1.00 0.00 N ATOM 0 H HIS A 45 0.265 6.920 -1.009 1.00 0.00 H new ATOM 0 HA HIS A 45 0.245 9.156 0.809 1.00 0.00 H new ATOM 0 HB2 HIS A 45 1.239 6.901 1.934 1.00 0.00 H new ATOM 0 HB3 HIS A 45 2.675 7.425 1.077 1.00 0.00 H new ATOM 0 HD1 HIS A 45 0.457 8.278 3.971 1.00 0.00 H new ATOM 0 HD2 HIS A 45 3.801 9.873 2.010 1.00 0.00 H new ATOM 0 HE1 HIS A 45 1.395 10.082 5.498 1.00 0.00 H new ATOM 560 N LYS A 46 1.193 9.891 -1.454 1.00 0.00 N ATOM 561 CA LYS A 46 1.937 10.542 -2.525 1.00 0.00 C ATOM 562 C LYS A 46 1.828 12.066 -2.408 1.00 0.00 C ATOM 563 O LYS A 46 2.558 12.684 -1.635 1.00 0.00 O ATOM 564 CB LYS A 46 1.439 10.066 -3.895 1.00 0.00 C ATOM 565 CG LYS A 46 2.156 8.831 -4.411 1.00 0.00 C ATOM 566 CD LYS A 46 3.443 9.194 -5.136 1.00 0.00 C ATOM 567 CE LYS A 46 4.562 9.522 -4.159 1.00 0.00 C ATOM 568 NZ LYS A 46 5.899 9.486 -4.814 1.00 0.00 N ATOM 0 H LYS A 46 0.234 10.221 -1.345 1.00 0.00 H new ATOM 0 HA LYS A 46 2.987 10.267 -2.430 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.372 9.855 -3.830 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.561 10.874 -4.617 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.382 8.166 -3.578 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.499 8.283 -5.087 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.748 8.365 -5.775 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.265 10.050 -5.788 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.393 10.511 -3.732 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.543 8.811 -3.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.582 9.018 -4.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.834 8.958 -5.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.217 10.457 -5.008 1.00 0.00 H new ATOM 582 N SER A 47 0.913 12.667 -3.166 1.00 0.00 N ATOM 583 CA SER A 47 0.715 14.113 -3.130 1.00 0.00 C ATOM 584 C SER A 47 2.019 14.872 -3.378 1.00 0.00 C ATOM 585 O SER A 47 2.137 16.044 -3.020 1.00 0.00 O ATOM 586 CB SER A 47 0.123 14.530 -1.782 1.00 0.00 C ATOM 587 OG SER A 47 -1.293 14.582 -1.841 1.00 0.00 O ATOM 0 H SER A 47 0.297 12.174 -3.813 1.00 0.00 H new ATOM 0 HA SER A 47 0.021 14.369 -3.931 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.432 13.824 -1.011 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.514 15.506 -1.496 1.00 0.00 H new ATOM 0 HG SER A 47 -1.647 14.849 -0.967 1.00 0.00 H new ATOM 593 N HIS A 48 2.997 14.208 -3.993 1.00 0.00 N ATOM 594 CA HIS A 48 4.280 14.845 -4.280 1.00 0.00 C ATOM 595 C HIS A 48 4.497 15.012 -5.786 1.00 0.00 C ATOM 596 O HIS A 48 4.776 16.115 -6.254 1.00 0.00 O ATOM 597 CB HIS A 48 5.442 14.053 -3.669 1.00 0.00 C ATOM 598 CG HIS A 48 5.171 13.548 -2.286 1.00 0.00 C ATOM 599 ND1 HIS A 48 5.315 12.223 -1.927 1.00 0.00 N ATOM 600 CD2 HIS A 48 4.772 14.197 -1.166 1.00 0.00 C ATOM 601 CE1 HIS A 48 5.016 12.080 -0.648 1.00 0.00 C ATOM 602 NE2 HIS A 48 4.683 13.262 -0.164 1.00 0.00 N ATOM 0 H HIS A 48 2.926 13.238 -4.299 1.00 0.00 H new ATOM 0 HA HIS A 48 4.255 15.835 -3.824 1.00 0.00 H new ATOM 0 HB2 HIS A 48 5.672 13.206 -4.316 1.00 0.00 H new ATOM 0 HB3 HIS A 48 6.329 14.687 -3.647 1.00 0.00 H new ATOM 0 HD2 HIS A 48 4.563 15.253 -1.077 1.00 0.00 H new ATOM 0 HE1 HIS A 48 5.040 11.154 -0.093 1.00 0.00 H new ATOM 0 HE2 HIS A 48 4.404 13.451 0.799 1.00 0.00 H new ATOM 611 N PRO A 49 4.380 13.923 -6.572 1.00 0.00 N ATOM 612 CA PRO A 49 4.572 13.965 -8.017 1.00 0.00 C ATOM 613 C PRO A 49 3.295 14.336 -8.762 1.00 0.00 C ATOM 614 O PRO A 49 2.341 14.842 -8.168 1.00 0.00 O ATOM 615 CB PRO A 49 4.994 12.528 -8.366 1.00 0.00 C ATOM 616 CG PRO A 49 4.862 11.728 -7.100 1.00 0.00 C ATOM 617 CD PRO A 49 4.060 12.563 -6.140 1.00 0.00 C ATOM 0 HA PRO A 49 5.302 14.721 -8.306 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.361 12.117 -9.153 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.019 12.503 -8.736 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.365 10.777 -7.294 1.00 0.00 H new ATOM 0 HG3 PRO A 49 5.843 11.497 -6.685 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.993 12.354 -6.212 1.00 0.00 H new ATOM 0 HD3 PRO A 49 4.351 12.386 -5.105 1.00 0.00 H new ATOM 625 N ARG A 50 3.285 14.080 -10.065 1.00 0.00 N ATOM 626 CA ARG A 50 2.126 14.383 -10.897 1.00 0.00 C ATOM 627 C ARG A 50 1.765 13.191 -11.777 1.00 0.00 C ATOM 628 O ARG A 50 1.377 13.354 -12.934 1.00 0.00 O ATOM 629 CB ARG A 50 2.405 15.610 -11.768 1.00 0.00 C ATOM 630 CG ARG A 50 1.153 16.224 -12.373 1.00 0.00 C ATOM 631 CD ARG A 50 1.493 17.395 -13.283 1.00 0.00 C ATOM 632 NE ARG A 50 0.516 17.551 -14.359 1.00 0.00 N ATOM 633 CZ ARG A 50 -0.729 17.984 -14.173 1.00 0.00 C ATOM 634 NH1 ARG A 50 -1.153 18.302 -12.956 1.00 0.00 N ATOM 635 NH2 ARG A 50 -1.552 18.098 -15.207 1.00 0.00 N ATOM 0 H ARG A 50 4.067 13.663 -10.569 1.00 0.00 H new ATOM 0 HA ARG A 50 1.282 14.597 -10.241 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.915 16.363 -11.167 1.00 0.00 H new ATOM 0 HB3 ARG A 50 3.086 15.328 -12.571 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.612 15.466 -12.939 1.00 0.00 H new ATOM 0 HG3 ARG A 50 0.490 16.561 -11.576 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.535 18.312 -12.695 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.484 17.246 -13.711 1.00 0.00 H new ATOM 0 HE ARG A 50 0.805 17.314 -15.308 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -0.524 18.215 -12.158 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.108 18.633 -12.819 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.231 17.854 -16.144 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -2.506 18.430 -15.065 1.00 0.00 H new ATOM 649 N ARG A 51 1.899 11.989 -11.221 1.00 0.00 N ATOM 650 CA ARG A 51 1.592 10.765 -11.955 1.00 0.00 C ATOM 651 C ARG A 51 2.617 10.538 -13.063 1.00 0.00 C ATOM 652 O ARG A 51 2.291 10.589 -14.249 1.00 0.00 O ATOM 653 CB ARG A 51 0.175 10.831 -12.542 1.00 0.00 C ATOM 654 CG ARG A 51 -0.767 9.785 -11.970 1.00 0.00 C ATOM 655 CD ARG A 51 -1.771 9.312 -13.009 1.00 0.00 C ATOM 656 NE ARG A 51 -2.853 10.274 -13.204 1.00 0.00 N ATOM 657 CZ ARG A 51 -3.893 10.398 -12.381 1.00 0.00 C ATOM 658 NH1 ARG A 51 -3.992 9.627 -11.305 1.00 0.00 N ATOM 659 NH2 ARG A 51 -4.834 11.297 -12.634 1.00 0.00 N ATOM 0 H ARG A 51 2.218 11.837 -10.264 1.00 0.00 H new ATOM 0 HA ARG A 51 1.639 9.926 -11.261 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.240 11.822 -12.358 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.232 10.705 -13.623 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.190 8.935 -11.606 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.297 10.201 -11.113 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.260 9.145 -13.957 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.189 8.354 -12.699 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.810 10.887 -14.018 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -3.270 8.935 -11.105 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -4.791 9.726 -10.678 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -4.761 11.893 -13.458 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -5.631 11.392 -12.004 1.00 0.00 H new ATOM 673 N SER A 52 3.863 10.290 -12.663 1.00 0.00 N ATOM 674 CA SER A 52 4.952 10.055 -13.612 1.00 0.00 C ATOM 675 C SER A 52 6.304 10.149 -12.914 1.00 0.00 C ATOM 676 O SER A 52 7.134 9.245 -13.020 1.00 0.00 O ATOM 677 CB SER A 52 4.898 11.065 -14.763 1.00 0.00 C ATOM 678 OG SER A 52 4.184 10.541 -15.868 1.00 0.00 O ATOM 0 H SER A 52 4.145 10.246 -11.684 1.00 0.00 H new ATOM 0 HA SER A 52 4.829 9.050 -14.017 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.423 11.985 -14.422 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.911 11.325 -15.071 1.00 0.00 H new ATOM 0 HG SER A 52 3.311 10.213 -15.568 1.00 0.00 H new ATOM 684 N ARG A 53 6.520 11.251 -12.203 1.00 0.00 N ATOM 685 CA ARG A 53 7.771 11.471 -11.487 1.00 0.00 C ATOM 686 C ARG A 53 8.013 10.372 -10.456 1.00 0.00 C ATOM 687 O ARG A 53 7.671 10.522 -9.283 1.00 0.00 O ATOM 688 CB ARG A 53 7.754 12.840 -10.800 1.00 0.00 C ATOM 689 CG ARG A 53 8.760 13.822 -11.378 1.00 0.00 C ATOM 690 CD ARG A 53 8.176 14.594 -12.550 1.00 0.00 C ATOM 691 NE ARG A 53 9.082 15.635 -13.027 1.00 0.00 N ATOM 692 CZ ARG A 53 9.233 16.816 -12.431 1.00 0.00 C ATOM 693 NH1 ARG A 53 8.539 17.109 -11.338 1.00 0.00 N ATOM 694 NH2 ARG A 53 10.080 17.706 -12.930 1.00 0.00 N ATOM 0 H ARG A 53 5.843 12.007 -12.107 1.00 0.00 H new ATOM 0 HA ARG A 53 8.585 11.445 -12.212 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.754 13.266 -10.882 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.958 12.707 -9.738 1.00 0.00 H new ATOM 0 HG2 ARG A 53 9.075 14.520 -10.602 1.00 0.00 H new ATOM 0 HG3 ARG A 53 9.650 13.283 -11.703 1.00 0.00 H new ATOM 0 HD2 ARG A 53 7.956 13.904 -13.365 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.230 15.046 -12.251 1.00 0.00 H new ATOM 0 HE ARG A 53 9.631 15.446 -13.866 1.00 0.00 H new ATOM 0 HH11 ARG A 53 7.886 16.428 -10.951 1.00 0.00 H new ATOM 0 HH12 ARG A 53 8.659 18.015 -10.886 1.00 0.00 H new ATOM 0 HH21 ARG A 53 10.615 17.486 -13.770 1.00 0.00 H new ATOM 0 HH22 ARG A 53 10.196 18.611 -12.474 1.00 0.00 H new ATOM 708 N ARG A 54 8.607 9.269 -10.901 1.00 0.00 N ATOM 709 CA ARG A 54 8.897 8.143 -10.017 1.00 0.00 C ATOM 710 C ARG A 54 7.640 7.683 -9.285 1.00 0.00 C ATOM 711 O ARG A 54 6.563 8.251 -9.462 1.00 0.00 O ATOM 712 CB ARG A 54 9.978 8.530 -9.005 1.00 0.00 C ATOM 713 CG ARG A 54 11.177 9.223 -9.629 1.00 0.00 C ATOM 714 CD ARG A 54 12.236 8.223 -10.065 1.00 0.00 C ATOM 715 NE ARG A 54 12.952 8.666 -11.258 1.00 0.00 N ATOM 716 CZ ARG A 54 12.472 8.558 -12.495 1.00 0.00 C ATOM 717 NH1 ARG A 54 11.276 8.022 -12.705 1.00 0.00 N ATOM 718 NH2 ARG A 54 13.189 8.988 -13.524 1.00 0.00 N ATOM 0 H ARG A 54 8.897 9.130 -11.869 1.00 0.00 H new ATOM 0 HA ARG A 54 9.259 7.317 -10.630 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.541 9.186 -8.253 1.00 0.00 H new ATOM 0 HB3 ARG A 54 10.317 7.633 -8.487 1.00 0.00 H new ATOM 0 HG2 ARG A 54 10.853 9.809 -10.489 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.608 9.921 -8.912 1.00 0.00 H new ATOM 0 HD2 ARG A 54 12.946 8.070 -9.252 1.00 0.00 H new ATOM 0 HD3 ARG A 54 11.765 7.260 -10.262 1.00 0.00 H new ATOM 0 HE ARG A 54 13.875 9.083 -11.136 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.720 7.691 -11.917 1.00 0.00 H new ATOM 0 HH12 ARG A 54 10.913 7.942 -13.655 1.00 0.00 H new ATOM 0 HH21 ARG A 54 14.108 9.401 -13.368 1.00 0.00 H new ATOM 0 HH22 ARG A 54 12.821 8.905 -14.472 1.00 0.00 H new ATOM 732 N SER A 55 7.786 6.652 -8.459 1.00 0.00 N ATOM 733 CA SER A 55 6.662 6.117 -7.699 1.00 0.00 C ATOM 734 C SER A 55 6.784 6.479 -6.223 1.00 0.00 C ATOM 735 O SER A 55 7.692 7.211 -5.826 1.00 0.00 O ATOM 736 CB SER A 55 6.588 4.597 -7.859 1.00 0.00 C ATOM 737 OG SER A 55 6.993 4.200 -9.159 1.00 0.00 O ATOM 0 H SER A 55 8.671 6.171 -8.299 1.00 0.00 H new ATOM 0 HA SER A 55 5.746 6.561 -8.090 1.00 0.00 H new ATOM 0 HB2 SER A 55 7.224 4.118 -7.115 1.00 0.00 H new ATOM 0 HB3 SER A 55 5.569 4.258 -7.673 1.00 0.00 H new ATOM 0 HG SER A 55 6.938 3.224 -9.235 1.00 0.00 H new ATOM 743 N ALA A 56 5.865 5.963 -5.414 1.00 0.00 N ATOM 744 CA ALA A 56 5.873 6.233 -3.981 1.00 0.00 C ATOM 745 C ALA A 56 7.106 5.633 -3.316 1.00 0.00 C ATOM 746 O ALA A 56 7.671 6.216 -2.391 1.00 0.00 O ATOM 747 CB ALA A 56 4.608 5.685 -3.334 1.00 0.00 C ATOM 0 H ALA A 56 5.106 5.356 -5.725 1.00 0.00 H new ATOM 0 HA ALA A 56 5.904 7.314 -3.841 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.627 5.893 -2.264 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.735 6.161 -3.781 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.555 4.608 -3.493 1.00 0.00 H new ATOM 753 N LEU A 57 7.514 4.460 -3.793 1.00 0.00 N ATOM 754 CA LEU A 57 8.677 3.767 -3.246 1.00 0.00 C ATOM 755 C LEU A 57 8.639 3.751 -1.721 1.00 0.00 C ATOM 756 O LEU A 57 7.604 4.023 -1.118 1.00 0.00 O ATOM 757 CB LEU A 57 9.971 4.412 -3.734 1.00 0.00 C ATOM 758 CG LEU A 57 10.461 5.596 -2.903 1.00 0.00 C ATOM 759 CD1 LEU A 57 11.881 5.354 -2.418 1.00 0.00 C ATOM 760 CD2 LEU A 57 10.365 6.867 -3.720 1.00 0.00 C ATOM 0 H LEU A 57 7.055 3.968 -4.560 1.00 0.00 H new ATOM 0 HA LEU A 57 8.646 2.737 -3.601 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.753 3.653 -3.751 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.827 4.745 -4.762 1.00 0.00 H new ATOM 0 HG LEU A 57 9.828 5.705 -2.023 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.214 6.208 -1.828 1.00 0.00 H new ATOM 0 HD12 LEU A 57 11.907 4.455 -1.803 1.00 0.00 H new ATOM 0 HD13 LEU A 57 12.542 5.226 -3.276 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.715 7.710 -3.124 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.982 6.773 -4.613 1.00 0.00 H new ATOM 0 HD23 LEU A 57 9.328 7.035 -4.011 1.00 0.00 H new ATOM 766 N HIS A 58 9.774 3.430 -1.099 1.00 0.00 N ATOM 767 CA HIS A 58 9.865 3.383 0.360 1.00 0.00 C ATOM 768 C HIS A 58 8.655 2.671 0.958 1.00 0.00 C ATOM 769 O HIS A 58 8.286 2.905 2.109 1.00 0.00 O ATOM 770 CB HIS A 58 9.972 4.798 0.930 1.00 0.00 C ATOM 771 CG HIS A 58 10.648 4.855 2.265 1.00 0.00 C ATOM 772 ND1 HIS A 58 10.071 4.373 3.422 1.00 0.00 N ATOM 773 CD2 HIS A 58 11.859 5.341 2.625 1.00 0.00 C ATOM 774 CE1 HIS A 58 10.899 4.560 4.435 1.00 0.00 C ATOM 775 NE2 HIS A 58 11.990 5.145 3.977 1.00 0.00 N ATOM 0 H HIS A 58 10.642 3.199 -1.582 1.00 0.00 H new ATOM 0 HA HIS A 58 10.761 2.823 0.626 1.00 0.00 H new ATOM 0 HB2 HIS A 58 10.521 5.424 0.227 1.00 0.00 H new ATOM 0 HB3 HIS A 58 8.972 5.222 1.020 1.00 0.00 H new ATOM 0 HD1 HIS A 58 9.150 3.940 3.486 1.00 0.00 H new ATOM 0 HD2 HIS A 58 12.586 5.798 1.970 1.00 0.00 H new ATOM 0 HE1 HIS A 58 10.714 4.282 5.462 1.00 0.00 H new ATOM 784 N ILE A 59 8.041 1.810 0.156 1.00 0.00 N ATOM 785 CA ILE A 59 6.870 1.063 0.578 1.00 0.00 C ATOM 786 C ILE A 59 6.919 -0.368 0.039 1.00 0.00 C ATOM 787 O ILE A 59 5.970 -1.134 0.203 1.00 0.00 O ATOM 788 CB ILE A 59 5.570 1.770 0.115 1.00 0.00 C ATOM 789 CG1 ILE A 59 4.518 1.718 1.219 1.00 0.00 C ATOM 790 CG2 ILE A 59 5.023 1.159 -1.171 1.00 0.00 C ATOM 791 CD1 ILE A 59 4.163 0.313 1.645 1.00 0.00 C ATOM 0 H ILE A 59 8.341 1.613 -0.799 1.00 0.00 H new ATOM 0 HA ILE A 59 6.870 1.022 1.667 1.00 0.00 H new ATOM 0 HB ILE A 59 5.815 2.811 -0.094 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.883 2.271 2.085 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.616 2.224 0.875 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.112 1.681 -1.463 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.766 1.254 -1.963 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.800 0.105 -1.007 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.410 0.351 2.432 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.768 -0.237 0.791 1.00 0.00 H new ATOM 0 HD13 ILE A 59 5.055 -0.190 2.020 1.00 0.00 H new ATOM 795 N THR A 60 8.031 -0.723 -0.608 1.00 0.00 N ATOM 796 CA THR A 60 8.186 -2.058 -1.167 1.00 0.00 C ATOM 797 C THR A 60 9.109 -2.914 -0.305 1.00 0.00 C ATOM 798 O THR A 60 9.680 -3.895 -0.782 1.00 0.00 O ATOM 799 CB THR A 60 8.736 -1.975 -2.592 1.00 0.00 C ATOM 800 OG1 THR A 60 9.634 -0.887 -2.721 1.00 0.00 O ATOM 801 CG2 THR A 60 7.657 -1.807 -3.640 1.00 0.00 C ATOM 0 H THR A 60 8.830 -0.106 -0.755 1.00 0.00 H new ATOM 0 HA THR A 60 7.203 -2.528 -1.187 1.00 0.00 H new ATOM 0 HB THR A 60 9.241 -2.926 -2.763 1.00 0.00 H new ATOM 0 HG1 THR A 60 9.976 -0.852 -3.639 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.114 -1.755 -4.628 1.00 0.00 H new ATOM 0 HG22 THR A 60 6.975 -2.657 -3.600 1.00 0.00 H new ATOM 0 HG23 THR A 60 7.103 -0.888 -3.448 1.00 0.00 H new ATOM 806 N LYS A 61 9.253 -2.546 0.967 1.00 0.00 N ATOM 807 CA LYS A 61 10.108 -3.300 1.875 1.00 0.00 C ATOM 808 C LYS A 61 9.296 -3.907 3.020 1.00 0.00 C ATOM 809 O LYS A 61 9.323 -5.119 3.230 1.00 0.00 O ATOM 810 CB LYS A 61 11.259 -2.420 2.401 1.00 0.00 C ATOM 811 CG LYS A 61 10.873 -1.411 3.478 1.00 0.00 C ATOM 812 CD LYS A 61 10.093 -0.229 2.908 1.00 0.00 C ATOM 813 CE LYS A 61 10.447 1.068 3.621 1.00 0.00 C ATOM 814 NZ LYS A 61 10.632 0.869 5.085 1.00 0.00 N ATOM 0 H LYS A 61 8.793 -1.738 1.387 1.00 0.00 H new ATOM 0 HA LYS A 61 10.551 -4.125 1.318 1.00 0.00 H new ATOM 0 HB2 LYS A 61 12.038 -3.070 2.799 1.00 0.00 H new ATOM 0 HB3 LYS A 61 11.694 -1.880 1.560 1.00 0.00 H new ATOM 0 HG2 LYS A 61 10.272 -1.907 4.240 1.00 0.00 H new ATOM 0 HG3 LYS A 61 11.774 -1.046 3.971 1.00 0.00 H new ATOM 0 HD2 LYS A 61 10.306 -0.130 1.844 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.024 -0.418 3.003 1.00 0.00 H new ATOM 0 HE2 LYS A 61 11.361 1.479 3.193 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.658 1.801 3.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.369 1.740 5.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.029 0.086 5.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 11.628 0.642 5.281 1.00 0.00 H new ATOM 828 N ARG A 62 8.561 -3.072 3.745 1.00 0.00 N ATOM 829 CA ARG A 62 7.733 -3.549 4.844 1.00 0.00 C ATOM 830 C ARG A 62 6.395 -4.071 4.329 1.00 0.00 C ATOM 831 O ARG A 62 5.702 -4.816 5.022 1.00 0.00 O ATOM 832 CB ARG A 62 7.504 -2.437 5.870 1.00 0.00 C ATOM 833 CG ARG A 62 8.754 -2.060 6.650 1.00 0.00 C ATOM 834 CD ARG A 62 8.888 -2.883 7.922 1.00 0.00 C ATOM 835 NE ARG A 62 9.927 -3.905 7.805 1.00 0.00 N ATOM 836 CZ ARG A 62 10.124 -4.869 8.701 1.00 0.00 C ATOM 837 NH1 ARG A 62 9.355 -4.948 9.780 1.00 0.00 N ATOM 838 NH2 ARG A 62 11.091 -5.756 8.517 1.00 0.00 N ATOM 0 H ARG A 62 8.522 -2.064 3.592 1.00 0.00 H new ATOM 0 HA ARG A 62 8.261 -4.370 5.330 1.00 0.00 H new ATOM 0 HB2 ARG A 62 7.126 -1.553 5.357 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.731 -2.754 6.570 1.00 0.00 H new ATOM 0 HG2 ARG A 62 9.634 -2.210 6.024 1.00 0.00 H new ATOM 0 HG3 ARG A 62 8.720 -1.000 6.903 1.00 0.00 H new ATOM 0 HD2 ARG A 62 9.121 -2.223 8.758 1.00 0.00 H new ATOM 0 HD3 ARG A 62 7.934 -3.360 8.148 1.00 0.00 H new ATOM 0 HE ARG A 62 10.537 -3.877 6.988 1.00 0.00 H new ATOM 0 HH11 ARG A 62 8.609 -4.268 9.925 1.00 0.00 H new ATOM 0 HH12 ARG A 62 9.510 -5.689 10.464 1.00 0.00 H new ATOM 0 HH21 ARG A 62 11.684 -5.700 7.689 1.00 0.00 H new ATOM 0 HH22 ARG A 62 11.242 -6.495 9.203 1.00 0.00 H new ATOM 852 N LEU A 63 6.035 -3.675 3.108 1.00 0.00 N ATOM 853 CA LEU A 63 4.780 -4.100 2.506 1.00 0.00 C ATOM 854 C LEU A 63 4.885 -5.538 2.025 1.00 0.00 C ATOM 855 O LEU A 63 4.211 -6.420 2.544 1.00 0.00 O ATOM 856 CB LEU A 63 4.407 -3.163 1.344 1.00 0.00 C ATOM 857 CG LEU A 63 3.048 -3.394 0.639 1.00 0.00 C ATOM 858 CD1 LEU A 63 2.255 -4.558 1.231 1.00 0.00 C ATOM 859 CD2 LEU A 63 2.216 -2.119 0.679 1.00 0.00 C ATOM 0 H LEU A 63 6.598 -3.060 2.520 1.00 0.00 H new ATOM 0 HA LEU A 63 3.993 -4.048 3.258 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.419 -2.140 1.721 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.192 -3.235 0.591 1.00 0.00 H new ATOM 0 HG LEU A 63 3.271 -3.661 -0.394 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.313 -4.668 0.693 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.834 -5.477 1.139 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.051 -4.361 2.284 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.262 -2.291 0.181 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.038 -1.833 1.716 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.752 -1.319 0.169 1.00 0.00 H new ATOM 865 N SER A 64 5.737 -5.774 1.041 1.00 0.00 N ATOM 866 CA SER A 64 5.916 -7.122 0.508 1.00 0.00 C ATOM 867 C SER A 64 6.198 -8.121 1.630 1.00 0.00 C ATOM 868 O SER A 64 5.648 -9.224 1.650 1.00 0.00 O ATOM 869 CB SER A 64 7.056 -7.143 -0.512 1.00 0.00 C ATOM 870 OG SER A 64 8.036 -6.167 -0.203 1.00 0.00 O ATOM 0 H SER A 64 6.313 -5.059 0.596 1.00 0.00 H new ATOM 0 HA SER A 64 4.991 -7.415 0.012 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.515 -8.131 -0.528 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.658 -6.960 -1.510 1.00 0.00 H new ATOM 0 HG SER A 64 8.139 -5.556 -0.962 1.00 0.00 H new ATOM 876 N ASP A 65 7.058 -7.723 2.559 1.00 0.00 N ATOM 877 CA ASP A 65 7.423 -8.579 3.683 1.00 0.00 C ATOM 878 C ASP A 65 6.222 -8.884 4.574 1.00 0.00 C ATOM 879 O ASP A 65 6.031 -10.024 4.995 1.00 0.00 O ATOM 880 CB ASP A 65 8.528 -7.920 4.510 1.00 0.00 C ATOM 881 CG ASP A 65 9.029 -8.819 5.625 1.00 0.00 C ATOM 882 OD1 ASP A 65 9.201 -10.031 5.377 1.00 0.00 O ATOM 883 OD2 ASP A 65 9.249 -8.309 6.744 1.00 0.00 O ATOM 0 H ASP A 65 7.517 -6.812 2.557 1.00 0.00 H new ATOM 0 HA ASP A 65 7.786 -9.522 3.274 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.360 -7.658 3.857 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.153 -6.990 4.937 1.00 0.00 H new ATOM 888 N ASP A 66 5.421 -7.863 4.872 1.00 0.00 N ATOM 889 CA ASP A 66 4.250 -8.042 5.730 1.00 0.00 C ATOM 890 C ASP A 66 3.060 -8.599 4.954 1.00 0.00 C ATOM 891 O ASP A 66 2.298 -9.428 5.462 1.00 0.00 O ATOM 892 CB ASP A 66 3.865 -6.714 6.384 1.00 0.00 C ATOM 893 CG ASP A 66 4.804 -6.332 7.512 1.00 0.00 C ATOM 894 OD1 ASP A 66 5.933 -6.865 7.552 1.00 0.00 O ATOM 895 OD2 ASP A 66 4.410 -5.501 8.355 1.00 0.00 O ATOM 0 H ASP A 66 5.559 -6.910 4.536 1.00 0.00 H new ATOM 0 HA ASP A 66 4.517 -8.765 6.501 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.868 -5.927 5.630 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.848 -6.783 6.769 1.00 0.00 H new ATOM 900 N ASP A 67 2.896 -8.137 3.722 1.00 0.00 N ATOM 901 CA ASP A 67 1.792 -8.576 2.889 1.00 0.00 C ATOM 902 C ASP A 67 1.975 -10.004 2.404 1.00 0.00 C ATOM 903 O ASP A 67 1.163 -10.505 1.628 1.00 0.00 O ATOM 904 CB ASP A 67 1.586 -7.635 1.707 1.00 0.00 C ATOM 905 CG ASP A 67 0.346 -6.778 1.879 1.00 0.00 C ATOM 906 OD1 ASP A 67 0.383 -5.835 2.697 1.00 0.00 O ATOM 907 OD2 ASP A 67 -0.668 -7.056 1.204 1.00 0.00 O ATOM 0 H ASP A 67 3.515 -7.458 3.280 1.00 0.00 H new ATOM 0 HA ASP A 67 0.898 -8.552 3.512 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.460 -6.992 1.597 1.00 0.00 H new ATOM 0 HB3 ASP A 67 1.501 -8.217 0.789 1.00 0.00 H new ATOM 912 N ARG A 68 3.019 -10.683 2.884 1.00 0.00 N ATOM 913 CA ARG A 68 3.234 -12.076 2.508 1.00 0.00 C ATOM 914 C ARG A 68 1.919 -12.842 2.656 1.00 0.00 C ATOM 915 O ARG A 68 1.688 -13.841 1.975 1.00 0.00 O ATOM 916 CB ARG A 68 4.327 -12.716 3.370 1.00 0.00 C ATOM 917 CG ARG A 68 4.246 -12.351 4.847 1.00 0.00 C ATOM 918 CD ARG A 68 2.999 -12.924 5.499 1.00 0.00 C ATOM 919 NE ARG A 68 3.272 -13.457 6.832 1.00 0.00 N ATOM 920 CZ ARG A 68 3.338 -12.709 7.932 1.00 0.00 C ATOM 921 NH1 ARG A 68 3.151 -11.396 7.863 1.00 0.00 N ATOM 922 NH2 ARG A 68 3.589 -13.276 9.104 1.00 0.00 N ATOM 0 H ARG A 68 3.715 -10.297 3.522 1.00 0.00 H new ATOM 0 HA ARG A 68 3.566 -12.117 1.471 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.266 -13.800 3.270 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.301 -12.415 2.985 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.131 -12.724 5.363 1.00 0.00 H new ATOM 0 HG3 ARG A 68 4.247 -11.266 4.955 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.237 -12.148 5.568 1.00 0.00 H new ATOM 0 HD3 ARG A 68 2.592 -13.715 4.869 1.00 0.00 H new ATOM 0 HE ARG A 68 3.421 -14.462 6.926 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.956 -10.955 6.964 1.00 0.00 H new ATOM 0 HH12 ARG A 68 3.203 -10.828 8.709 1.00 0.00 H new ATOM 0 HH21 ARG A 68 3.731 -14.284 9.163 1.00 0.00 H new ATOM 0 HH22 ARG A 68 3.640 -12.704 9.947 1.00 0.00 H new ATOM 936 N VAL A 69 1.051 -12.324 3.539 1.00 0.00 N ATOM 937 CA VAL A 69 -0.273 -12.889 3.792 1.00 0.00 C ATOM 938 C VAL A 69 -0.819 -13.631 2.577 1.00 0.00 C ATOM 939 O VAL A 69 -1.074 -14.834 2.626 1.00 0.00 O ATOM 940 CB VAL A 69 -1.281 -11.772 4.156 1.00 0.00 C ATOM 941 CG1 VAL A 69 -1.656 -11.838 5.627 1.00 0.00 C ATOM 942 CG2 VAL A 69 -0.730 -10.393 3.794 1.00 0.00 C ATOM 0 H VAL A 69 1.255 -11.496 4.098 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.157 -13.589 4.619 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.185 -11.934 3.569 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -2.365 -11.043 5.858 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.111 -12.804 5.843 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.761 -11.714 6.237 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.459 -9.628 4.061 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.197 -10.217 4.340 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.534 -10.349 2.723 1.00 0.00 H new ATOM 946 N THR A 70 -0.995 -12.890 1.492 1.00 0.00 N ATOM 947 CA THR A 70 -1.512 -13.453 0.255 1.00 0.00 C ATOM 948 C THR A 70 -0.842 -12.804 -0.948 1.00 0.00 C ATOM 949 O THR A 70 0.052 -13.388 -1.560 1.00 0.00 O ATOM 950 CB THR A 70 -3.024 -13.279 0.182 1.00 0.00 C ATOM 951 OG1 THR A 70 -3.640 -13.729 1.375 1.00 0.00 O ATOM 952 CG2 THR A 70 -3.657 -14.023 -0.973 1.00 0.00 C ATOM 0 H THR A 70 -0.786 -11.893 1.445 1.00 0.00 H new ATOM 0 HA THR A 70 -1.286 -14.519 0.241 1.00 0.00 H new ATOM 0 HB THR A 70 -3.185 -12.211 0.035 1.00 0.00 H new ATOM 0 HG1 THR A 70 -4.469 -14.204 1.156 1.00 0.00 H new ATOM 0 HG21 THR A 70 -4.734 -13.857 -0.966 1.00 0.00 H new ATOM 0 HG22 THR A 70 -3.239 -13.660 -1.912 1.00 0.00 H new ATOM 0 HG23 THR A 70 -3.454 -15.089 -0.874 1.00 0.00 H new ATOM 957 N TRP A 71 -1.258 -11.583 -1.272 1.00 0.00 N ATOM 958 CA TRP A 71 -0.668 -10.858 -2.390 1.00 0.00 C ATOM 959 C TRP A 71 -0.721 -9.363 -2.156 1.00 0.00 C ATOM 960 O TRP A 71 -1.587 -8.856 -1.440 1.00 0.00 O ATOM 961 CB TRP A 71 -1.345 -11.209 -3.716 1.00 0.00 C ATOM 962 CG TRP A 71 -2.726 -10.654 -3.853 1.00 0.00 C ATOM 963 CD1 TRP A 71 -3.879 -11.276 -3.501 1.00 0.00 C ATOM 964 CD2 TRP A 71 -3.100 -9.373 -4.378 1.00 0.00 C ATOM 965 NE1 TRP A 71 -4.957 -10.471 -3.778 1.00 0.00 N ATOM 966 CE2 TRP A 71 -4.504 -9.295 -4.315 1.00 0.00 C ATOM 967 CE3 TRP A 71 -2.388 -8.285 -4.895 1.00 0.00 C ATOM 968 CZ2 TRP A 71 -5.210 -8.174 -4.749 1.00 0.00 C ATOM 969 CZ3 TRP A 71 -3.090 -7.173 -5.325 1.00 0.00 C ATOM 970 CH2 TRP A 71 -4.488 -7.126 -5.249 1.00 0.00 C ATOM 0 H TRP A 71 -1.996 -11.079 -0.780 1.00 0.00 H new ATOM 0 HA TRP A 71 0.376 -11.166 -2.455 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -0.731 -10.837 -4.536 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -1.388 -12.294 -3.816 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -3.941 -12.262 -3.066 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -5.935 -10.710 -3.611 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -1.310 -8.313 -4.957 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -6.288 -8.135 -4.692 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -2.551 -6.327 -5.726 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -5.007 -6.243 -5.593 1.00 0.00 H new ATOM 981 N ALA A 72 0.230 -8.669 -2.753 1.00 0.00 N ATOM 982 CA ALA A 72 0.331 -7.233 -2.610 1.00 0.00 C ATOM 983 C ALA A 72 0.907 -6.582 -3.863 1.00 0.00 C ATOM 984 O ALA A 72 2.043 -6.852 -4.251 1.00 0.00 O ATOM 985 CB ALA A 72 1.186 -6.922 -1.395 1.00 0.00 C ATOM 0 H ALA A 72 0.949 -9.084 -3.346 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.668 -6.819 -2.472 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.270 -5.842 -1.276 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.724 -7.350 -0.506 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.179 -7.350 -1.530 1.00 0.00 H new ATOM 991 N GLU A 73 0.114 -5.713 -4.484 1.00 0.00 N ATOM 992 CA GLU A 73 0.539 -5.007 -5.687 1.00 0.00 C ATOM 993 C GLU A 73 0.036 -3.568 -5.665 1.00 0.00 C ATOM 994 O GLU A 73 -0.911 -3.245 -4.950 1.00 0.00 O ATOM 995 CB GLU A 73 0.029 -5.719 -6.941 1.00 0.00 C ATOM 996 CG GLU A 73 0.393 -5.005 -8.233 1.00 0.00 C ATOM 997 CD GLU A 73 0.037 -5.812 -9.466 1.00 0.00 C ATOM 998 OE1 GLU A 73 -1.107 -5.683 -9.951 1.00 0.00 O ATOM 999 OE2 GLU A 73 0.903 -6.571 -9.949 1.00 0.00 O ATOM 0 H GLU A 73 -0.829 -5.481 -4.172 1.00 0.00 H new ATOM 0 HA GLU A 73 1.629 -5.000 -5.709 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.436 -6.730 -6.966 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.055 -5.813 -6.880 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.122 -4.045 -8.271 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.462 -4.794 -8.238 1.00 0.00 H new ATOM 1006 N GLN A 74 0.674 -2.703 -6.445 1.00 0.00 N ATOM 1007 CA GLN A 74 0.282 -1.300 -6.498 1.00 0.00 C ATOM 1008 C GLN A 74 -0.065 -0.869 -7.918 1.00 0.00 C ATOM 1009 O GLN A 74 0.429 -1.437 -8.892 1.00 0.00 O ATOM 1010 CB GLN A 74 1.398 -0.413 -5.943 1.00 0.00 C ATOM 1011 CG GLN A 74 2.745 -0.628 -6.615 1.00 0.00 C ATOM 1012 CD GLN A 74 3.909 -0.383 -5.675 1.00 0.00 C ATOM 1013 OE1 GLN A 74 4.024 0.687 -5.075 1.00 0.00 O ATOM 1014 NE2 GLN A 74 4.782 -1.375 -5.541 1.00 0.00 N ATOM 0 H GLN A 74 1.461 -2.947 -7.046 1.00 0.00 H new ATOM 0 HA GLN A 74 -0.610 -1.184 -5.882 1.00 0.00 H new ATOM 0 HB2 GLN A 74 1.109 0.632 -6.056 1.00 0.00 H new ATOM 0 HB3 GLN A 74 1.501 -0.601 -4.874 1.00 0.00 H new ATOM 0 HG2 GLN A 74 2.799 -1.648 -6.996 1.00 0.00 H new ATOM 0 HG3 GLN A 74 2.829 0.038 -7.474 1.00 0.00 H new ATOM 0 HE21 GLN A 74 4.649 -2.245 -6.057 1.00 0.00 H new ATOM 0 HE22 GLN A 74 5.586 -1.267 -4.922 1.00 0.00 H new ATOM 1021 N GLN A 75 -0.920 0.143 -8.022 1.00 0.00 N ATOM 1022 CA GLN A 75 -1.339 0.666 -9.316 1.00 0.00 C ATOM 1023 C GLN A 75 -1.102 2.170 -9.388 1.00 0.00 C ATOM 1024 O GLN A 75 -1.330 2.892 -8.415 1.00 0.00 O ATOM 1025 CB GLN A 75 -2.818 0.358 -9.560 1.00 0.00 C ATOM 1026 CG GLN A 75 -3.083 -1.092 -9.930 1.00 0.00 C ATOM 1027 CD GLN A 75 -4.530 -1.344 -10.305 1.00 0.00 C ATOM 1028 OE1 GLN A 75 -5.228 -2.118 -9.650 1.00 0.00 O ATOM 1029 NE2 GLN A 75 -4.989 -0.689 -11.366 1.00 0.00 N ATOM 0 H GLN A 75 -1.337 0.618 -7.222 1.00 0.00 H new ATOM 0 HA GLN A 75 -0.744 0.181 -10.090 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -3.385 0.605 -8.663 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -3.188 1.002 -10.358 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -2.441 -1.373 -10.765 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -2.812 -1.732 -9.090 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -4.375 -0.057 -11.880 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -5.955 -0.818 -11.667 1.00 0.00 H new ATOM 1036 N TYR A 76 -0.635 2.634 -10.544 1.00 0.00 N ATOM 1037 CA TYR A 76 -0.358 4.048 -10.749 1.00 0.00 C ATOM 1038 C TYR A 76 -1.195 4.607 -11.895 1.00 0.00 C ATOM 1039 O TYR A 76 -1.844 5.640 -11.745 1.00 99.99 O ATOM 1040 CB TYR A 76 1.126 4.251 -11.039 1.00 0.00 C ATOM 1041 CG TYR A 76 2.037 3.592 -10.028 1.00 0.00 C ATOM 1042 CD1 TYR A 76 2.132 4.077 -8.730 1.00 0.00 C ATOM 1043 CD2 TYR A 76 2.801 2.484 -10.372 1.00 0.00 C ATOM 1044 CE1 TYR A 76 2.964 3.477 -7.803 1.00 0.00 C ATOM 1045 CE2 TYR A 76 3.635 1.878 -9.451 1.00 0.00 C ATOM 1046 CZ TYR A 76 3.712 2.378 -8.169 1.00 0.00 C ATOM 1047 OH TYR A 76 4.541 1.777 -7.249 1.00 0.00 O ATOM 0 H TYR A 76 -0.441 2.046 -11.355 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.624 4.585 -9.838 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.351 3.856 -12.030 1.00 0.00 H new ATOM 0 HB3 TYR A 76 1.339 5.320 -11.065 1.00 0.00 H new ATOM 0 HD1 TYR A 76 1.546 4.937 -8.440 1.00 0.00 H new ATOM 0 HD2 TYR A 76 2.742 2.089 -11.376 1.00 0.00 H new ATOM 0 HE1 TYR A 76 3.028 3.867 -6.798 1.00 0.00 H new ATOM 0 HE2 TYR A 76 4.223 1.018 -9.734 1.00 0.00 H new ATOM 0 HH TYR A 76 4.186 1.919 -6.347 1.00 0.00 H new