USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 464 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 48 HIS : no HE2:sc= -9.07! C(o=-8.9!,f=-10!) USER MOD Set 1.2: A 55 SER OG : rot -48:sc= 0.169 USER MOD Single : A 6 ASN : amide:sc= -4.71 K(o=-4.7,f=-7.7!) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 15:sc= -1.08 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -6.08! C(o=-6.1!,f=-13!) USER MOD Single : A 40 HIS : no HD1:sc= -7.38! C(o=-7.4!,f=-8.9!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 157:sc= -3.95! (180deg=-5.6!) USER MOD Single : A 45 HIS : no HD1:sc= -0.0394 X(o=-0.039,f=-0.27) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 42:sc= 1.16 USER MOD Single : A 58 HIS : no HD1:sc= -5.13! C(o=-5.1!,f=-7.3!) USER MOD Single : A 60 THR OG1 : rot -68:sc= 1.24 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0.1 USER MOD Single : A 70 THR OG1 : rot -140:sc= -0.776 USER MOD Single : A 74 GLN : amide:sc= -1.6 K(o=-1.6,f=-8!) USER MOD Single : A 75 GLN : amide:sc= -0.311 X(o=-0.31,f=-0.099) USER MOD Single : A 76 TYR OH : rot 60:sc= -2.26 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 4 -0.391 8.990 -12.867 1.00 0.00 N ATOM 2 CA PHE A 4 0.723 8.169 -12.318 1.00 0.00 C ATOM 3 C PHE A 4 1.111 8.619 -10.913 1.00 0.00 C ATOM 4 O PHE A 4 2.019 9.431 -10.737 1.00 0.00 O ATOM 5 CB PHE A 4 1.929 8.278 -13.254 1.00 0.00 C ATOM 6 CG PHE A 4 2.876 7.116 -13.150 1.00 0.00 C ATOM 7 CD1 PHE A 4 2.407 5.816 -13.232 1.00 0.00 C ATOM 8 CD2 PHE A 4 4.235 7.323 -12.971 1.00 0.00 C ATOM 9 CE1 PHE A 4 3.273 4.743 -13.137 1.00 0.00 C ATOM 10 CE2 PHE A 4 5.107 6.255 -12.876 1.00 0.00 C ATOM 11 CZ PHE A 4 4.625 4.963 -12.959 1.00 0.00 C ATOM 0 HA PHE A 4 0.391 7.133 -12.251 1.00 0.00 H new ATOM 0 HB2 PHE A 4 1.575 8.357 -14.282 1.00 0.00 H new ATOM 0 HB3 PHE A 4 2.470 9.198 -13.031 1.00 0.00 H new ATOM 0 HD1 PHE A 4 1.351 5.638 -13.372 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.617 8.331 -12.905 1.00 0.00 H new ATOM 0 HE1 PHE A 4 2.893 3.734 -13.202 1.00 0.00 H new ATOM 0 HE2 PHE A 4 6.164 6.430 -12.737 1.00 0.00 H new ATOM 0 HZ PHE A 4 5.304 4.126 -12.885 1.00 0.00 H new ATOM 21 N VAL A 5 0.427 8.069 -9.918 1.00 0.00 N ATOM 22 CA VAL A 5 0.707 8.393 -8.524 1.00 0.00 C ATOM 23 C VAL A 5 1.229 7.149 -7.806 1.00 0.00 C ATOM 24 O VAL A 5 2.438 6.935 -7.744 1.00 0.00 O ATOM 25 CB VAL A 5 -0.543 8.981 -7.807 1.00 0.00 C ATOM 26 CG1 VAL A 5 -1.831 8.405 -8.374 1.00 0.00 C ATOM 27 CG2 VAL A 5 -0.479 8.775 -6.296 1.00 0.00 C ATOM 0 H VAL A 5 -0.327 7.395 -10.050 1.00 0.00 H new ATOM 0 HA VAL A 5 1.475 9.166 -8.494 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.541 10.055 -7.995 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.684 8.837 -7.851 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.899 8.642 -9.436 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.835 7.323 -8.242 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.370 9.199 -5.833 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.429 7.709 -6.076 1.00 0.00 H new ATOM 0 HG23 VAL A 5 0.407 9.270 -5.899 1.00 0.00 H new ATOM 31 N ASN A 6 0.312 6.322 -7.300 1.00 0.00 N ATOM 32 CA ASN A 6 0.660 5.071 -6.616 1.00 0.00 C ATOM 33 C ASN A 6 -0.386 4.679 -5.580 1.00 0.00 C ATOM 34 O ASN A 6 -0.718 5.447 -4.678 1.00 0.00 O ATOM 35 CB ASN A 6 2.031 5.128 -5.934 1.00 0.00 C ATOM 36 CG ASN A 6 2.167 6.305 -4.988 1.00 0.00 C ATOM 37 OD1 ASN A 6 2.773 7.321 -5.326 1.00 0.00 O ATOM 38 ND2 ASN A 6 1.604 6.169 -3.792 1.00 0.00 N ATOM 0 H ASN A 6 -0.691 6.498 -7.352 1.00 0.00 H new ATOM 0 HA ASN A 6 0.695 4.317 -7.402 1.00 0.00 H new ATOM 0 HB2 ASN A 6 2.196 4.203 -5.382 1.00 0.00 H new ATOM 0 HB3 ASN A 6 2.809 5.188 -6.696 1.00 0.00 H new ATOM 0 HD21 ASN A 6 1.665 6.926 -3.111 1.00 0.00 H new ATOM 0 HD22 ASN A 6 1.111 5.308 -3.555 1.00 0.00 H new ATOM 43 N GLU A 7 -0.873 3.457 -5.718 1.00 0.00 N ATOM 44 CA GLU A 7 -1.855 2.888 -4.814 1.00 0.00 C ATOM 45 C GLU A 7 -1.652 1.381 -4.776 1.00 0.00 C ATOM 46 O GLU A 7 -1.923 0.689 -5.756 1.00 0.00 O ATOM 47 CB GLU A 7 -3.276 3.227 -5.272 1.00 0.00 C ATOM 48 CG GLU A 7 -3.493 3.045 -6.764 1.00 0.00 C ATOM 49 CD GLU A 7 -4.960 3.066 -7.146 1.00 0.00 C ATOM 50 OE1 GLU A 7 -5.713 2.195 -6.658 1.00 0.00 O ATOM 51 OE2 GLU A 7 -5.357 3.951 -7.932 1.00 0.00 O ATOM 0 H GLU A 7 -0.594 2.826 -6.469 1.00 0.00 H new ATOM 0 HA GLU A 7 -1.724 3.307 -3.816 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -3.983 2.598 -4.731 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -3.499 4.260 -5.004 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -2.970 3.835 -7.303 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -3.053 2.099 -7.079 1.00 0.00 H new ATOM 58 N TRP A 8 -1.139 0.875 -3.663 1.00 0.00 N ATOM 59 CA TRP A 8 -0.875 -0.550 -3.550 1.00 0.00 C ATOM 60 C TRP A 8 -2.086 -1.307 -3.028 1.00 0.00 C ATOM 61 O TRP A 8 -2.337 -1.332 -1.829 1.00 0.00 O ATOM 62 CB TRP A 8 0.321 -0.812 -2.635 1.00 0.00 C ATOM 63 CG TRP A 8 0.434 -2.254 -2.266 1.00 0.00 C ATOM 64 CD1 TRP A 8 0.883 -3.264 -3.061 1.00 0.00 C ATOM 65 CD2 TRP A 8 0.058 -2.852 -1.025 1.00 0.00 C ATOM 66 NE1 TRP A 8 0.805 -4.457 -2.394 1.00 0.00 N ATOM 67 CE2 TRP A 8 0.308 -4.231 -1.134 1.00 0.00 C ATOM 68 CE3 TRP A 8 -0.462 -2.355 0.171 1.00 0.00 C ATOM 69 CZ2 TRP A 8 0.052 -5.118 -0.089 1.00 0.00 C ATOM 70 CZ3 TRP A 8 -0.714 -3.238 1.203 1.00 0.00 C ATOM 71 CH2 TRP A 8 -0.456 -4.604 1.068 1.00 0.00 C ATOM 0 H TRP A 8 -0.900 1.423 -2.836 1.00 0.00 H new ATOM 0 HA TRP A 8 -0.648 -0.911 -4.553 1.00 0.00 H new ATOM 0 HB2 TRP A 8 1.236 -0.492 -3.133 1.00 0.00 H new ATOM 0 HB3 TRP A 8 0.224 -0.212 -1.730 1.00 0.00 H new ATOM 0 HD1 TRP A 8 1.247 -3.142 -4.070 1.00 0.00 H new ATOM 0 HE1 TRP A 8 1.073 -5.366 -2.772 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -0.663 -1.300 0.287 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 0.249 -6.175 -0.192 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -1.118 -2.865 2.132 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -0.663 -5.266 1.896 1.00 0.00 H new ATOM 82 N ALA A 9 -2.815 -1.945 -3.935 1.00 0.00 N ATOM 83 CA ALA A 9 -3.985 -2.723 -3.553 1.00 0.00 C ATOM 84 C ALA A 9 -3.630 -4.190 -3.368 1.00 0.00 C ATOM 85 O ALA A 9 -3.005 -4.803 -4.234 1.00 0.00 O ATOM 86 CB ALA A 9 -5.091 -2.567 -4.582 1.00 0.00 C ATOM 0 H ALA A 9 -2.617 -1.939 -4.936 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.345 -2.341 -2.598 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.956 -3.156 -4.278 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -5.374 -1.517 -4.655 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.737 -2.916 -5.552 1.00 0.00 H new ATOM 92 N ALA A 10 -4.025 -4.746 -2.230 1.00 0.00 N ATOM 93 CA ALA A 10 -3.743 -6.140 -1.928 1.00 0.00 C ATOM 94 C ALA A 10 -4.850 -6.767 -1.089 1.00 0.00 C ATOM 95 O ALA A 10 -5.512 -6.089 -0.304 1.00 0.00 O ATOM 96 CB ALA A 10 -2.409 -6.256 -1.209 1.00 0.00 C ATOM 0 H ALA A 10 -4.541 -4.252 -1.502 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.694 -6.684 -2.871 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -2.205 -7.303 -0.986 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.617 -5.860 -1.845 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.446 -5.688 -0.279 1.00 0.00 H new ATOM 102 N GLU A 11 -5.031 -8.072 -1.255 1.00 0.00 N ATOM 103 CA GLU A 11 -6.042 -8.817 -0.511 1.00 0.00 C ATOM 104 C GLU A 11 -5.363 -9.681 0.541 1.00 0.00 C ATOM 105 O GLU A 11 -4.513 -10.516 0.218 1.00 0.00 O ATOM 106 CB GLU A 11 -6.857 -9.688 -1.456 1.00 0.00 C ATOM 107 CG GLU A 11 -8.357 -9.466 -1.355 1.00 0.00 C ATOM 108 CD GLU A 11 -8.970 -9.004 -2.662 1.00 0.00 C ATOM 109 OE1 GLU A 11 -8.357 -8.149 -3.335 1.00 0.00 O ATOM 110 OE2 GLU A 11 -10.063 -9.496 -3.012 1.00 0.00 O ATOM 0 H GLU A 11 -4.486 -8.641 -1.903 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.715 -8.114 -0.021 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.539 -9.493 -2.480 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.639 -10.736 -1.248 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.837 -10.393 -1.041 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.559 -8.725 -0.582 1.00 0.00 H new ATOM 117 N ILE A 12 -5.718 -9.463 1.798 1.00 0.00 N ATOM 118 CA ILE A 12 -5.113 -10.212 2.885 1.00 0.00 C ATOM 119 C ILE A 12 -6.075 -10.355 4.077 1.00 0.00 C ATOM 120 O ILE A 12 -6.451 -9.372 4.710 1.00 0.00 O ATOM 121 CB ILE A 12 -3.757 -9.566 3.303 1.00 0.00 C ATOM 122 CG1 ILE A 12 -3.702 -9.196 4.791 1.00 0.00 C ATOM 123 CG2 ILE A 12 -3.460 -8.339 2.448 1.00 0.00 C ATOM 124 CD1 ILE A 12 -4.456 -7.923 5.127 1.00 0.00 C ATOM 0 H ILE A 12 -6.417 -8.779 2.088 1.00 0.00 H new ATOM 0 HA ILE A 12 -4.905 -11.221 2.530 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.991 -10.323 3.134 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -4.114 -10.018 5.377 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.660 -9.081 5.090 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.510 -7.903 2.755 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.403 -8.631 1.399 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -4.255 -7.605 2.577 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.374 -7.723 6.195 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.030 -7.090 4.568 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.506 -8.041 4.859 1.00 0.00 H new ATOM 128 N PRO A 13 -6.510 -11.595 4.376 1.00 0.00 N ATOM 129 CA PRO A 13 -7.447 -11.870 5.476 1.00 0.00 C ATOM 130 C PRO A 13 -7.058 -11.206 6.797 1.00 0.00 C ATOM 131 O PRO A 13 -7.926 -10.830 7.585 1.00 0.00 O ATOM 132 CB PRO A 13 -7.377 -13.390 5.616 1.00 0.00 C ATOM 133 CG PRO A 13 -7.037 -13.875 4.251 1.00 0.00 C ATOM 134 CD PRO A 13 -6.146 -12.825 3.646 1.00 0.00 C ATOM 0 HA PRO A 13 -8.439 -11.475 5.256 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -6.621 -13.687 6.343 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -8.327 -13.801 5.958 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -6.530 -14.839 4.295 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -7.937 -14.015 3.652 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -5.092 -13.071 3.776 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -6.319 -12.721 2.575 1.00 0.00 H new ATOM 142 N GLY A 14 -5.759 -11.071 7.044 1.00 0.00 N ATOM 143 CA GLY A 14 -5.300 -10.466 8.274 1.00 0.00 C ATOM 144 C GLY A 14 -4.700 -9.098 8.065 1.00 0.00 C ATOM 145 O GLY A 14 -5.431 -8.114 7.961 1.00 0.00 O ATOM 0 H GLY A 14 -5.017 -11.371 6.411 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -6.136 -10.389 8.969 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.558 -11.116 8.738 1.00 0.00 H new ATOM 149 N GLY A 15 -3.365 -9.030 8.012 1.00 0.00 N ATOM 150 CA GLY A 15 -2.681 -7.760 7.825 1.00 0.00 C ATOM 151 C GLY A 15 -3.409 -6.620 8.501 1.00 0.00 C ATOM 152 O GLY A 15 -3.453 -5.507 7.992 1.00 0.00 O ATOM 0 H GLY A 15 -2.747 -9.837 8.096 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.669 -7.831 8.224 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.590 -7.551 6.759 1.00 0.00 H new ATOM 156 N GLN A 16 -3.997 -6.912 9.647 1.00 0.00 N ATOM 157 CA GLN A 16 -4.744 -5.923 10.396 1.00 0.00 C ATOM 158 C GLN A 16 -3.795 -5.035 11.190 1.00 0.00 C ATOM 159 O GLN A 16 -3.769 -3.817 11.007 1.00 0.00 O ATOM 160 CB GLN A 16 -5.739 -6.635 11.311 1.00 0.00 C ATOM 161 CG GLN A 16 -7.037 -7.007 10.613 1.00 0.00 C ATOM 162 CD GLN A 16 -8.155 -7.318 11.589 1.00 0.00 C ATOM 163 OE1 GLN A 16 -7.917 -7.837 12.679 1.00 0.00 O ATOM 164 NE2 GLN A 16 -9.386 -7.002 11.199 1.00 0.00 N ATOM 0 H GLN A 16 -3.970 -7.835 10.081 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.298 -5.280 9.711 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.276 -7.539 11.707 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.963 -5.992 12.162 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -7.344 -6.187 9.964 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -6.866 -7.873 9.974 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -9.537 -6.573 10.286 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -10.179 -7.189 11.813 1.00 0.00 H new ATOM 171 N GLU A 17 -2.994 -5.654 12.047 1.00 0.00 N ATOM 172 CA GLU A 17 -2.021 -4.919 12.841 1.00 0.00 C ATOM 173 C GLU A 17 -0.797 -4.586 11.990 1.00 0.00 C ATOM 174 O GLU A 17 -0.057 -3.647 12.285 1.00 0.00 O ATOM 175 CB GLU A 17 -1.603 -5.736 14.065 1.00 0.00 C ATOM 176 CG GLU A 17 -2.772 -6.379 14.795 1.00 0.00 C ATOM 177 CD GLU A 17 -2.497 -6.581 16.271 1.00 0.00 C ATOM 178 OE1 GLU A 17 -2.664 -5.615 17.044 1.00 0.00 O ATOM 179 OE2 GLU A 17 -2.115 -7.707 16.656 1.00 0.00 O ATOM 0 H GLU A 17 -2.999 -6.661 12.209 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.480 -3.991 13.183 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.908 -6.515 13.752 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.065 -5.089 14.757 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.657 -5.755 14.676 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.997 -7.342 14.336 1.00 0.00 H new ATOM 186 N ALA A 18 -0.593 -5.367 10.929 1.00 0.00 N ATOM 187 CA ALA A 18 0.535 -5.166 10.028 1.00 0.00 C ATOM 188 C ALA A 18 0.257 -4.050 9.025 1.00 0.00 C ATOM 189 O ALA A 18 0.986 -3.062 8.973 1.00 0.00 O ATOM 190 CB ALA A 18 0.863 -6.460 9.300 1.00 0.00 C ATOM 0 H ALA A 18 -1.199 -6.147 10.674 1.00 0.00 H new ATOM 0 HA ALA A 18 1.394 -4.867 10.629 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.707 -6.297 8.630 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.120 -7.231 10.026 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.003 -6.781 8.721 1.00 0.00 H new ATOM 196 N ALA A 19 -0.803 -4.214 8.229 1.00 0.00 N ATOM 197 CA ALA A 19 -1.175 -3.220 7.223 1.00 0.00 C ATOM 198 C ALA A 19 -1.172 -1.821 7.813 1.00 0.00 C ATOM 199 O ALA A 19 -0.668 -0.877 7.205 1.00 0.00 O ATOM 200 CB ALA A 19 -2.536 -3.547 6.634 1.00 0.00 C ATOM 0 H ALA A 19 -1.418 -5.027 8.263 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.433 -3.251 6.425 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.799 -2.798 5.887 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.503 -4.531 6.166 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.285 -3.547 7.426 1.00 0.00 H new ATOM 206 N SER A 20 -1.724 -1.699 9.010 1.00 0.00 N ATOM 207 CA SER A 20 -1.770 -0.418 9.693 1.00 0.00 C ATOM 208 C SER A 20 -0.380 -0.035 10.190 1.00 0.00 C ATOM 209 O SER A 20 -0.054 1.145 10.323 1.00 0.00 O ATOM 210 CB SER A 20 -2.753 -0.472 10.864 1.00 0.00 C ATOM 211 OG SER A 20 -3.042 0.828 11.348 1.00 0.00 O ATOM 0 H SER A 20 -2.145 -2.471 9.527 1.00 0.00 H new ATOM 0 HA SER A 20 -2.112 0.339 8.987 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.675 -0.958 10.546 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.333 -1.078 11.667 1.00 0.00 H new ATOM 0 HG SER A 20 -3.673 0.766 12.095 1.00 0.00 H new ATOM 217 N ALA A 21 0.433 -1.051 10.470 1.00 0.00 N ATOM 218 CA ALA A 21 1.784 -0.838 10.961 1.00 0.00 C ATOM 219 C ALA A 21 2.753 -0.484 9.838 1.00 0.00 C ATOM 220 O ALA A 21 3.735 0.224 10.061 1.00 0.00 O ATOM 221 CB ALA A 21 2.274 -2.070 11.704 1.00 0.00 C ATOM 0 H ALA A 21 0.174 -2.032 10.363 1.00 0.00 H new ATOM 0 HA ALA A 21 1.751 0.010 11.645 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.287 -1.897 12.067 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.616 -2.271 12.549 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.271 -2.927 11.030 1.00 0.00 H new ATOM 227 N ILE A 22 2.480 -0.973 8.630 1.00 0.00 N ATOM 228 CA ILE A 22 3.344 -0.691 7.494 1.00 0.00 C ATOM 229 C ILE A 22 3.277 0.785 7.148 1.00 0.00 C ATOM 230 O ILE A 22 4.273 1.497 7.225 1.00 0.00 O ATOM 231 CB ILE A 22 2.972 -1.515 6.238 1.00 0.00 C ATOM 232 CG1 ILE A 22 2.204 -2.786 6.621 1.00 0.00 C ATOM 233 CG2 ILE A 22 4.229 -1.861 5.456 1.00 0.00 C ATOM 234 CD1 ILE A 22 2.147 -3.830 5.525 1.00 0.00 C ATOM 0 H ILE A 22 1.674 -1.561 8.417 1.00 0.00 H new ATOM 0 HA ILE A 22 4.354 -0.974 7.791 1.00 0.00 H new ATOM 0 HB ILE A 22 2.319 -0.911 5.608 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.669 -3.226 7.503 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.187 -2.512 6.900 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.960 -2.441 4.573 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.730 -0.943 5.148 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.899 -2.447 6.085 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.587 -4.696 5.877 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.654 -3.410 4.648 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.159 -4.136 5.261 1.00 0.00 H new ATOM 238 N ALA A 23 2.084 1.234 6.783 1.00 0.00 N ATOM 239 CA ALA A 23 1.859 2.632 6.432 1.00 0.00 C ATOM 240 C ALA A 23 2.495 3.555 7.463 1.00 0.00 C ATOM 241 O ALA A 23 3.016 4.619 7.130 1.00 0.00 O ATOM 242 CB ALA A 23 0.368 2.908 6.320 1.00 0.00 C ATOM 0 H ALA A 23 1.252 0.647 6.722 1.00 0.00 H new ATOM 0 HA ALA A 23 2.326 2.827 5.467 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.210 3.954 6.058 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.063 2.271 5.547 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.114 2.697 7.275 1.00 0.00 H new ATOM 248 N GLU A 24 2.448 3.132 8.717 1.00 0.00 N ATOM 249 CA GLU A 24 3.018 3.908 9.808 1.00 0.00 C ATOM 250 C GLU A 24 4.542 3.820 9.806 1.00 0.00 C ATOM 251 O GLU A 24 5.229 4.756 10.213 1.00 0.00 O ATOM 252 CB GLU A 24 2.477 3.410 11.148 1.00 0.00 C ATOM 253 CG GLU A 24 0.980 3.618 11.316 1.00 0.00 C ATOM 254 CD GLU A 24 0.406 2.810 12.463 1.00 0.00 C ATOM 255 OE1 GLU A 24 1.053 1.825 12.877 1.00 0.00 O ATOM 256 OE2 GLU A 24 -0.690 3.162 12.948 1.00 0.00 O ATOM 0 H GLU A 24 2.019 2.252 9.005 1.00 0.00 H new ATOM 0 HA GLU A 24 2.731 4.950 9.665 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.701 2.348 11.249 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.999 3.924 11.955 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.780 4.676 11.486 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.472 3.342 10.392 1.00 0.00 H new ATOM 263 N GLU A 25 5.062 2.680 9.361 1.00 0.00 N ATOM 264 CA GLU A 25 6.504 2.455 9.323 1.00 0.00 C ATOM 265 C GLU A 25 7.185 3.242 8.197 1.00 0.00 C ATOM 266 O GLU A 25 7.724 4.324 8.427 1.00 0.00 O ATOM 267 CB GLU A 25 6.799 0.961 9.174 1.00 0.00 C ATOM 268 CG GLU A 25 7.126 0.271 10.488 1.00 0.00 C ATOM 269 CD GLU A 25 6.244 -0.934 10.751 1.00 0.00 C ATOM 270 OE1 GLU A 25 5.944 -1.671 9.787 1.00 0.00 O ATOM 271 OE2 GLU A 25 5.855 -1.143 11.919 1.00 0.00 O ATOM 0 H GLU A 25 4.505 1.896 9.021 1.00 0.00 H new ATOM 0 HA GLU A 25 6.914 2.817 10.266 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.936 0.472 8.722 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.635 0.831 8.487 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.170 -0.043 10.479 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.014 0.983 11.305 1.00 0.00 H new ATOM 278 N LEU A 26 7.181 2.680 6.988 1.00 0.00 N ATOM 279 CA LEU A 26 7.826 3.319 5.842 1.00 0.00 C ATOM 280 C LEU A 26 7.247 4.702 5.531 1.00 0.00 C ATOM 281 O LEU A 26 7.924 5.541 4.938 1.00 0.00 O ATOM 282 CB LEU A 26 7.755 2.408 4.609 1.00 0.00 C ATOM 283 CG LEU A 26 6.378 2.189 3.964 1.00 0.00 C ATOM 284 CD1 LEU A 26 6.266 0.776 3.443 1.00 0.00 C ATOM 285 CD2 LEU A 26 5.219 2.475 4.912 1.00 0.00 C ATOM 0 H LEU A 26 6.739 1.785 6.778 1.00 0.00 H new ATOM 0 HA LEU A 26 8.871 3.473 6.111 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.420 2.819 3.849 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.154 1.433 4.889 1.00 0.00 H new ATOM 0 HG LEU A 26 6.305 2.902 3.143 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.286 0.633 2.988 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.041 0.601 2.697 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.390 0.073 4.267 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.275 2.301 4.395 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.286 1.816 5.777 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.266 3.513 5.242 1.00 0.00 H new ATOM 291 N GLY A 27 6.008 4.942 5.939 1.00 0.00 N ATOM 292 CA GLY A 27 5.389 6.234 5.697 1.00 0.00 C ATOM 293 C GLY A 27 4.402 6.225 4.542 1.00 0.00 C ATOM 294 O GLY A 27 4.694 6.744 3.465 1.00 0.00 O ATOM 0 H GLY A 27 5.421 4.269 6.432 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.874 6.557 6.602 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.168 6.969 5.494 1.00 0.00 H new ATOM 298 N TYR A 28 3.225 5.652 4.774 1.00 0.00 N ATOM 299 CA TYR A 28 2.181 5.597 3.752 1.00 0.00 C ATOM 300 C TYR A 28 0.798 5.614 4.395 1.00 0.00 C ATOM 301 O TYR A 28 0.668 5.515 5.614 1.00 0.00 O ATOM 302 CB TYR A 28 2.329 4.342 2.885 1.00 0.00 C ATOM 303 CG TYR A 28 3.364 4.469 1.796 1.00 0.00 C ATOM 304 CD1 TYR A 28 4.687 4.191 2.066 1.00 0.00 C ATOM 305 CD2 TYR A 28 3.020 4.841 0.504 1.00 0.00 C ATOM 306 CE1 TYR A 28 5.655 4.279 1.093 1.00 0.00 C ATOM 307 CE2 TYR A 28 3.980 4.938 -0.485 1.00 0.00 C ATOM 308 CZ TYR A 28 5.299 4.656 -0.186 1.00 0.00 C ATOM 309 OH TYR A 28 6.259 4.747 -1.168 1.00 0.00 O ATOM 0 H TYR A 28 2.969 5.218 5.661 1.00 0.00 H new ATOM 0 HA TYR A 28 2.291 6.477 3.118 1.00 0.00 H new ATOM 0 HB2 TYR A 28 2.591 3.499 3.525 1.00 0.00 H new ATOM 0 HB3 TYR A 28 1.365 4.110 2.431 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.970 3.897 3.066 1.00 0.00 H new ATOM 0 HD2 TYR A 28 1.988 5.058 0.269 1.00 0.00 H new ATOM 0 HE1 TYR A 28 6.685 4.055 1.328 1.00 0.00 H new ATOM 0 HE2 TYR A 28 3.701 5.233 -1.486 1.00 0.00 H new ATOM 0 HH TYR A 28 7.075 4.293 -0.871 1.00 0.00 H new ATOM 319 N ASP A 29 -0.235 5.736 3.566 1.00 0.00 N ATOM 320 CA ASP A 29 -1.608 5.758 4.057 1.00 0.00 C ATOM 321 C ASP A 29 -2.307 4.443 3.730 1.00 0.00 C ATOM 322 O ASP A 29 -2.797 4.252 2.620 1.00 0.00 O ATOM 323 CB ASP A 29 -2.375 6.930 3.442 1.00 0.00 C ATOM 324 CG ASP A 29 -3.085 7.768 4.487 1.00 0.00 C ATOM 325 OD1 ASP A 29 -3.937 7.216 5.212 1.00 0.00 O ATOM 326 OD2 ASP A 29 -2.786 8.977 4.580 1.00 0.00 O ATOM 0 H ASP A 29 -0.147 5.821 2.553 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.587 5.885 5.139 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -1.683 7.560 2.883 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -3.105 6.548 2.729 1.00 0.00 H new ATOM 331 N LEU A 30 -2.345 3.538 4.706 1.00 0.00 N ATOM 332 CA LEU A 30 -2.973 2.233 4.518 1.00 0.00 C ATOM 333 C LEU A 30 -4.454 2.290 4.845 1.00 0.00 C ATOM 334 O LEU A 30 -4.843 2.747 5.917 1.00 0.00 O ATOM 335 CB LEU A 30 -2.285 1.187 5.405 1.00 0.00 C ATOM 336 CG LEU A 30 -3.012 -0.161 5.570 1.00 0.00 C ATOM 337 CD1 LEU A 30 -3.831 -0.184 6.848 1.00 0.00 C ATOM 338 CD2 LEU A 30 -3.883 -0.492 4.363 1.00 0.00 C ATOM 0 H LEU A 30 -1.948 3.685 5.634 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.862 1.950 3.471 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.294 0.992 4.996 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.142 1.620 6.395 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.245 -0.933 5.638 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.334 -1.147 6.940 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.173 -0.035 7.704 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.574 0.613 6.818 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.377 -1.451 4.522 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.635 0.286 4.233 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.261 -0.548 3.470 1.00 0.00 H new ATOM 344 N LEU A 31 -5.277 1.808 3.915 1.00 0.00 N ATOM 345 CA LEU A 31 -6.705 1.803 4.109 1.00 0.00 C ATOM 346 C LEU A 31 -7.361 0.601 3.469 1.00 0.00 C ATOM 347 O LEU A 31 -7.636 0.577 2.272 1.00 0.00 O ATOM 348 CB LEU A 31 -7.318 3.090 3.570 1.00 0.00 C ATOM 349 CG LEU A 31 -6.519 4.344 3.903 1.00 0.00 C ATOM 350 CD1 LEU A 31 -7.014 5.538 3.101 1.00 0.00 C ATOM 351 CD2 LEU A 31 -6.595 4.608 5.393 1.00 0.00 C ATOM 0 H LEU A 31 -4.969 1.419 3.024 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.887 1.741 5.182 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.413 3.009 2.487 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.326 3.196 3.972 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.476 4.186 3.628 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.426 6.419 3.359 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.908 5.330 2.036 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.063 5.722 3.332 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.024 5.505 5.633 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.635 4.751 5.684 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.180 3.758 5.935 1.00 0.00 H new ATOM 357 N GLY A 32 -7.616 -0.384 4.303 1.00 0.00 N ATOM 358 CA GLY A 32 -8.257 -1.606 3.857 1.00 0.00 C ATOM 359 C GLY A 32 -9.472 -1.966 4.688 1.00 0.00 C ATOM 360 O GLY A 32 -9.378 -2.758 5.624 1.00 0.00 O ATOM 0 H GLY A 32 -7.389 -0.364 5.297 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.555 -1.496 2.814 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.538 -2.424 3.898 1.00 0.00 H new ATOM 364 N GLN A 33 -10.617 -1.385 4.347 1.00 0.00 N ATOM 365 CA GLN A 33 -11.851 -1.655 5.072 1.00 0.00 C ATOM 366 C GLN A 33 -13.064 -1.517 4.158 1.00 0.00 C ATOM 367 O GLN A 33 -13.803 -0.535 4.236 1.00 0.00 O ATOM 368 CB GLN A 33 -11.982 -0.708 6.266 1.00 0.00 C ATOM 369 CG GLN A 33 -11.438 -1.285 7.564 1.00 0.00 C ATOM 370 CD GLN A 33 -12.506 -1.437 8.630 1.00 0.00 C ATOM 371 OE1 GLN A 33 -13.306 -2.373 8.595 1.00 0.00 O ATOM 372 NE2 GLN A 33 -12.524 -0.515 9.585 1.00 0.00 N ATOM 0 H GLN A 33 -10.715 -0.726 3.575 1.00 0.00 H new ATOM 0 HA GLN A 33 -11.812 -2.682 5.435 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -11.456 0.220 6.042 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -13.033 -0.454 6.404 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.989 -2.258 7.364 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.645 -0.639 7.940 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -11.842 0.243 9.575 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -13.220 -0.565 10.329 1.00 0.00 H new ATOM 379 N ILE A 34 -13.269 -2.507 3.294 1.00 0.00 N ATOM 380 CA ILE A 34 -14.400 -2.490 2.374 1.00 0.00 C ATOM 381 C ILE A 34 -15.582 -3.240 2.959 1.00 0.00 C ATOM 382 O ILE A 34 -16.726 -2.792 2.886 1.00 0.00 O ATOM 383 CB ILE A 34 -14.040 -3.114 1.010 1.00 0.00 C ATOM 384 CG1 ILE A 34 -12.774 -2.472 0.442 1.00 0.00 C ATOM 385 CG2 ILE A 34 -15.196 -2.960 0.032 1.00 0.00 C ATOM 386 CD1 ILE A 34 -11.502 -2.950 1.107 1.00 0.00 C ATOM 0 H ILE A 34 -12.669 -3.328 3.212 1.00 0.00 H new ATOM 0 HA ILE A 34 -14.664 -1.444 2.222 1.00 0.00 H new ATOM 0 HB ILE A 34 -13.851 -4.177 1.159 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -12.717 -2.683 -0.626 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -12.846 -1.390 0.550 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -14.925 -3.406 -0.925 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -16.078 -3.462 0.429 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -15.414 -1.901 -0.110 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -10.645 -2.452 0.653 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -11.537 -2.715 2.171 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -11.406 -4.028 0.977 1.00 0.00 H new ATOM 390 N GLY A 35 -15.287 -4.390 3.529 1.00 0.00 N ATOM 391 CA GLY A 35 -16.320 -5.217 4.124 1.00 0.00 C ATOM 392 C GLY A 35 -16.825 -6.275 3.165 1.00 0.00 C ATOM 393 O GLY A 35 -17.150 -7.391 3.573 1.00 0.00 O ATOM 0 H GLY A 35 -14.344 -4.774 3.594 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -15.928 -5.698 5.020 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -17.152 -4.587 4.439 1.00 0.00 H new ATOM 397 N SER A 36 -16.886 -5.924 1.884 1.00 0.00 N ATOM 398 CA SER A 36 -17.347 -6.848 0.855 1.00 0.00 C ATOM 399 C SER A 36 -16.527 -8.133 0.882 1.00 0.00 C ATOM 400 O SER A 36 -17.073 -9.236 0.869 1.00 0.00 O ATOM 401 CB SER A 36 -17.243 -6.191 -0.524 1.00 0.00 C ATOM 402 OG SER A 36 -18.471 -5.591 -0.898 1.00 0.00 O ATOM 0 H SER A 36 -16.621 -5.003 1.534 1.00 0.00 H new ATOM 0 HA SER A 36 -18.389 -7.097 1.055 1.00 0.00 H new ATOM 0 HB2 SER A 36 -16.455 -5.438 -0.513 1.00 0.00 H new ATOM 0 HB3 SER A 36 -16.959 -6.938 -1.265 1.00 0.00 H new ATOM 0 HG SER A 36 -18.377 -5.177 -1.781 1.00 0.00 H new ATOM 408 N LEU A 37 -15.210 -7.973 0.921 1.00 0.00 N ATOM 409 CA LEU A 37 -14.295 -9.109 0.954 1.00 0.00 C ATOM 410 C LEU A 37 -13.587 -9.208 2.299 1.00 0.00 C ATOM 411 O LEU A 37 -13.057 -10.258 2.661 1.00 0.00 O ATOM 412 CB LEU A 37 -13.264 -8.993 -0.169 1.00 0.00 C ATOM 413 CG LEU A 37 -12.795 -7.570 -0.494 1.00 0.00 C ATOM 414 CD1 LEU A 37 -13.873 -6.800 -1.247 1.00 0.00 C ATOM 415 CD2 LEU A 37 -12.376 -6.826 0.768 1.00 0.00 C ATOM 0 H LEU A 37 -14.749 -7.063 0.931 1.00 0.00 H new ATOM 0 HA LEU A 37 -14.883 -10.015 0.809 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -12.393 -9.591 0.099 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.687 -9.432 -1.073 1.00 0.00 H new ATOM 0 HG LEU A 37 -11.921 -7.647 -1.140 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -13.516 -5.794 -1.466 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -14.103 -7.314 -2.180 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -14.773 -6.740 -0.634 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -12.048 -5.820 0.506 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -13.222 -6.765 1.452 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -11.557 -7.360 1.250 1.00 0.00 H new ATOM 421 N GLU A 38 -13.586 -8.101 3.026 1.00 0.00 N ATOM 422 CA GLU A 38 -12.952 -8.021 4.337 1.00 0.00 C ATOM 423 C GLU A 38 -11.612 -8.736 4.364 1.00 0.00 C ATOM 424 O GLU A 38 -11.503 -9.867 4.837 1.00 0.00 O ATOM 425 CB GLU A 38 -13.873 -8.581 5.404 1.00 0.00 C ATOM 426 CG GLU A 38 -14.416 -9.956 5.071 1.00 0.00 C ATOM 427 CD GLU A 38 -15.178 -10.578 6.226 1.00 0.00 C ATOM 428 OE1 GLU A 38 -16.381 -10.274 6.375 1.00 0.00 O ATOM 429 OE2 GLU A 38 -14.574 -11.370 6.978 1.00 0.00 O ATOM 0 H GLU A 38 -14.025 -7.231 2.725 1.00 0.00 H new ATOM 0 HA GLU A 38 -12.764 -6.968 4.546 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -13.333 -8.631 6.349 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -14.707 -7.895 5.550 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -15.073 -9.883 4.204 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -13.591 -10.610 4.791 1.00 0.00 H new ATOM 436 N ASN A 39 -10.600 -8.049 3.856 1.00 0.00 N ATOM 437 CA ASN A 39 -9.238 -8.576 3.801 1.00 0.00 C ATOM 438 C ASN A 39 -8.341 -7.653 2.980 1.00 0.00 C ATOM 439 O ASN A 39 -7.145 -7.529 3.238 1.00 0.00 O ATOM 440 CB ASN A 39 -9.237 -10.002 3.229 1.00 0.00 C ATOM 441 CG ASN A 39 -9.201 -10.043 1.715 1.00 0.00 C ATOM 442 OD1 ASN A 39 -8.224 -10.498 1.121 1.00 0.00 O ATOM 443 ND2 ASN A 39 -10.268 -9.572 1.086 1.00 0.00 N ATOM 0 H ASN A 39 -10.696 -7.110 3.469 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.839 -8.619 4.814 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.375 -10.542 3.620 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.127 -10.526 3.578 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.303 -9.577 0.067 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -11.055 -9.205 1.621 1.00 0.00 H new ATOM 448 N HIS A 40 -8.946 -7.010 1.998 1.00 0.00 N ATOM 449 CA HIS A 40 -8.255 -6.077 1.118 1.00 0.00 C ATOM 450 C HIS A 40 -7.699 -4.889 1.902 1.00 0.00 C ATOM 451 O HIS A 40 -8.359 -4.350 2.790 1.00 0.00 O ATOM 452 CB HIS A 40 -9.218 -5.583 0.037 1.00 0.00 C ATOM 453 CG HIS A 40 -8.541 -4.889 -1.102 1.00 0.00 C ATOM 454 ND1 HIS A 40 -7.801 -3.738 -0.945 1.00 0.00 N ATOM 455 CD2 HIS A 40 -8.494 -5.189 -2.422 1.00 0.00 C ATOM 456 CE1 HIS A 40 -7.330 -3.356 -2.118 1.00 0.00 C ATOM 457 NE2 HIS A 40 -7.735 -4.220 -3.031 1.00 0.00 N ATOM 0 H HIS A 40 -9.937 -7.119 1.785 1.00 0.00 H new ATOM 0 HA HIS A 40 -7.418 -6.598 0.654 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -9.782 -6.432 -0.350 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -9.939 -4.901 0.489 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -8.965 -6.032 -2.905 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -6.718 -2.485 -2.300 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -7.519 -4.175 -4.027 1.00 0.00 H new ATOM 466 N TYR A 41 -6.480 -4.488 1.557 1.00 0.00 N ATOM 467 CA TYR A 41 -5.813 -3.363 2.211 1.00 0.00 C ATOM 468 C TYR A 41 -4.864 -2.690 1.225 1.00 0.00 C ATOM 469 O TYR A 41 -4.176 -3.374 0.466 1.00 0.00 O ATOM 470 CB TYR A 41 -5.043 -3.853 3.444 1.00 0.00 C ATOM 471 CG TYR A 41 -5.875 -3.916 4.710 1.00 0.00 C ATOM 472 CD1 TYR A 41 -6.780 -4.950 4.918 1.00 0.00 C ATOM 473 CD2 TYR A 41 -5.757 -2.944 5.699 1.00 0.00 C ATOM 474 CE1 TYR A 41 -7.541 -5.014 6.069 1.00 0.00 C ATOM 475 CE2 TYR A 41 -6.515 -3.002 6.853 1.00 0.00 C ATOM 476 CZ TYR A 41 -7.404 -4.039 7.033 1.00 0.00 C ATOM 477 OH TYR A 41 -8.162 -4.100 8.181 1.00 0.00 O ATOM 0 H TYR A 41 -5.928 -4.929 0.821 1.00 0.00 H new ATOM 0 HA TYR A 41 -6.560 -2.639 2.535 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -4.641 -4.845 3.237 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -4.192 -3.193 3.614 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -6.890 -5.717 4.166 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -5.061 -2.130 5.562 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -8.240 -5.825 6.213 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -6.411 -2.238 7.610 1.00 0.00 H new ATOM 0 HH TYR A 41 -7.944 -3.338 8.758 1.00 0.00 H new ATOM 487 N LEU A 42 -4.821 -1.357 1.220 1.00 0.00 N ATOM 488 CA LEU A 42 -3.934 -0.660 0.290 1.00 0.00 C ATOM 489 C LEU A 42 -3.398 0.639 0.864 1.00 0.00 C ATOM 490 O LEU A 42 -4.038 1.290 1.689 1.00 0.00 O ATOM 491 CB LEU A 42 -4.618 -0.391 -1.055 1.00 0.00 C ATOM 492 CG LEU A 42 -6.025 0.185 -0.987 1.00 0.00 C ATOM 493 CD1 LEU A 42 -6.939 -0.773 -0.260 1.00 0.00 C ATOM 494 CD2 LEU A 42 -6.011 1.546 -0.316 1.00 0.00 C ATOM 0 H LEU A 42 -5.372 -0.754 1.830 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.090 -1.329 0.125 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.993 0.296 -1.626 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.657 -1.326 -1.613 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.404 0.319 -2.000 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.944 -0.354 -0.215 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.966 -1.724 -0.791 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.567 -0.933 0.752 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.026 1.943 -0.276 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.620 1.448 0.697 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.378 2.226 -0.886 1.00 0.00 H new ATOM 500 N PHE A 43 -2.205 1.000 0.411 1.00 0.00 N ATOM 501 CA PHE A 43 -1.541 2.221 0.862 1.00 0.00 C ATOM 502 C PHE A 43 -1.427 3.247 -0.259 1.00 0.00 C ATOM 503 O PHE A 43 -1.194 2.897 -1.416 1.00 0.00 O ATOM 504 CB PHE A 43 -0.125 1.940 1.383 1.00 0.00 C ATOM 505 CG PHE A 43 0.042 0.675 2.176 1.00 0.00 C ATOM 506 CD1 PHE A 43 -1.033 0.065 2.789 1.00 0.00 C ATOM 507 CD2 PHE A 43 1.295 0.104 2.311 1.00 0.00 C ATOM 508 CE1 PHE A 43 -0.867 -1.093 3.521 1.00 0.00 C ATOM 509 CE2 PHE A 43 1.471 -1.054 3.041 1.00 0.00 C ATOM 510 CZ PHE A 43 0.387 -1.654 3.647 1.00 0.00 C ATOM 0 H PHE A 43 -1.672 0.462 -0.273 1.00 0.00 H new ATOM 0 HA PHE A 43 -2.161 2.616 1.667 1.00 0.00 H new ATOM 0 HB2 PHE A 43 0.554 1.905 0.531 1.00 0.00 H new ATOM 0 HB3 PHE A 43 0.186 2.780 2.005 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -2.017 0.499 2.695 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.147 0.571 1.839 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.718 -1.560 3.995 1.00 0.00 H new ATOM 0 HE2 PHE A 43 2.455 -1.489 3.137 1.00 0.00 H new ATOM 0 HZ PHE A 43 0.520 -2.561 4.219 1.00 0.00 H new ATOM 520 N LYS A 44 -1.556 4.519 0.103 1.00 0.00 N ATOM 521 CA LYS A 44 -1.428 5.608 -0.859 1.00 0.00 C ATOM 522 C LYS A 44 -0.740 6.800 -0.202 1.00 0.00 C ATOM 523 O LYS A 44 -1.313 7.457 0.667 1.00 0.00 O ATOM 524 CB LYS A 44 -2.793 6.027 -1.411 1.00 0.00 C ATOM 525 CG LYS A 44 -3.805 4.895 -1.483 1.00 0.00 C ATOM 526 CD LYS A 44 -4.566 4.762 -0.174 1.00 0.00 C ATOM 527 CE LYS A 44 -5.880 5.528 -0.211 1.00 0.00 C ATOM 528 NZ LYS A 44 -7.039 4.663 0.145 1.00 0.00 N ATOM 0 H LYS A 44 -1.750 4.822 1.058 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.823 5.255 -1.694 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.197 6.823 -0.786 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.657 6.443 -2.409 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.505 5.079 -2.298 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.294 3.959 -1.708 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.763 3.709 0.028 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.950 5.134 0.645 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.829 6.369 0.480 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.030 5.943 -1.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.823 5.256 0.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.347 4.132 -0.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.758 3.996 0.892 1.00 0.00 H new ATOM 542 N HIS A 45 0.499 7.067 -0.609 1.00 0.00 N ATOM 543 CA HIS A 45 1.261 8.176 -0.046 1.00 0.00 C ATOM 544 C HIS A 45 2.423 8.568 -0.948 1.00 0.00 C ATOM 545 O HIS A 45 3.210 7.723 -1.373 1.00 0.00 O ATOM 546 CB HIS A 45 1.785 7.811 1.339 1.00 0.00 C ATOM 547 CG HIS A 45 2.144 9.000 2.174 1.00 0.00 C ATOM 548 ND1 HIS A 45 3.280 9.754 1.962 1.00 0.00 N ATOM 549 CD2 HIS A 45 1.510 9.568 3.227 1.00 0.00 C ATOM 550 CE1 HIS A 45 3.329 10.732 2.850 1.00 0.00 C ATOM 551 NE2 HIS A 45 2.266 10.641 3.627 1.00 0.00 N ATOM 0 H HIS A 45 0.994 6.533 -1.323 1.00 0.00 H new ATOM 0 HA HIS A 45 0.588 9.030 0.035 1.00 0.00 H new ATOM 0 HB2 HIS A 45 1.029 7.225 1.862 1.00 0.00 H new ATOM 0 HB3 HIS A 45 2.663 7.175 1.230 1.00 0.00 H new ATOM 0 HD2 HIS A 45 0.582 9.238 3.670 1.00 0.00 H new ATOM 0 HE1 HIS A 45 4.106 11.478 2.927 1.00 0.00 H new ATOM 0 HE2 HIS A 45 2.042 11.267 4.400 1.00 0.00 H new ATOM 560 N LYS A 46 2.527 9.863 -1.232 1.00 0.00 N ATOM 561 CA LYS A 46 3.595 10.382 -2.080 1.00 0.00 C ATOM 562 C LYS A 46 3.814 11.873 -1.833 1.00 0.00 C ATOM 563 O LYS A 46 4.949 12.349 -1.829 1.00 0.00 O ATOM 564 CB LYS A 46 3.291 10.140 -3.567 1.00 0.00 C ATOM 565 CG LYS A 46 1.873 9.666 -3.855 1.00 0.00 C ATOM 566 CD LYS A 46 0.864 10.796 -3.722 1.00 0.00 C ATOM 567 CE LYS A 46 -0.161 10.505 -2.637 1.00 0.00 C ATOM 568 NZ LYS A 46 -1.394 9.879 -3.191 1.00 0.00 N ATOM 0 H LYS A 46 1.883 10.574 -0.886 1.00 0.00 H new ATOM 0 HA LYS A 46 4.507 9.845 -1.820 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.470 11.065 -4.116 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.993 9.400 -3.952 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.825 9.252 -4.862 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.611 8.862 -3.167 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.385 11.725 -3.491 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.355 10.944 -4.674 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.278 9.843 -1.891 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.422 11.432 -2.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.067 9.697 -2.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.828 10.521 -3.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.149 8.982 -3.656 1.00 0.00 H new ATOM 582 N SER A 47 2.723 12.606 -1.632 1.00 0.00 N ATOM 583 CA SER A 47 2.797 14.045 -1.392 1.00 0.00 C ATOM 584 C SER A 47 3.241 14.780 -2.653 1.00 0.00 C ATOM 585 O SER A 47 3.855 15.844 -2.581 1.00 0.00 O ATOM 586 CB SER A 47 3.758 14.350 -0.237 1.00 0.00 C ATOM 587 OG SER A 47 3.051 14.773 0.916 1.00 0.00 O ATOM 0 H SER A 47 1.776 12.227 -1.630 1.00 0.00 H new ATOM 0 HA SER A 47 1.801 14.395 -1.119 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.344 13.461 -0.003 1.00 0.00 H new ATOM 0 HB3 SER A 47 4.462 15.125 -0.540 1.00 0.00 H new ATOM 0 HG SER A 47 3.686 14.960 1.639 1.00 0.00 H new ATOM 593 N HIS A 48 2.921 14.205 -3.809 1.00 0.00 N ATOM 594 CA HIS A 48 3.282 14.804 -5.089 1.00 0.00 C ATOM 595 C HIS A 48 2.561 14.103 -6.241 1.00 0.00 C ATOM 596 O HIS A 48 3.189 13.672 -7.209 1.00 0.00 O ATOM 597 CB HIS A 48 4.796 14.740 -5.303 1.00 0.00 C ATOM 598 CG HIS A 48 5.402 13.420 -4.937 1.00 0.00 C ATOM 599 ND1 HIS A 48 5.026 12.230 -5.524 1.00 0.00 N ATOM 600 CD2 HIS A 48 6.364 13.107 -4.037 1.00 0.00 C ATOM 601 CE1 HIS A 48 5.729 11.241 -4.999 1.00 0.00 C ATOM 602 NE2 HIS A 48 6.549 11.747 -4.094 1.00 0.00 N ATOM 0 H HIS A 48 2.412 13.324 -3.885 1.00 0.00 H new ATOM 0 HA HIS A 48 2.972 15.849 -5.071 1.00 0.00 H new ATOM 0 HB2 HIS A 48 5.015 14.952 -6.349 1.00 0.00 H new ATOM 0 HB3 HIS A 48 5.271 15.524 -4.712 1.00 0.00 H new ATOM 0 HD1 HIS A 48 4.316 12.129 -6.250 1.00 0.00 H new ATOM 0 HD2 HIS A 48 6.888 13.798 -3.394 1.00 0.00 H new ATOM 0 HE1 HIS A 48 5.647 10.197 -5.264 1.00 0.00 H new ATOM 611 N PRO A 49 1.224 13.983 -6.153 1.00 0.00 N ATOM 612 CA PRO A 49 0.418 13.335 -7.194 1.00 0.00 C ATOM 613 C PRO A 49 0.390 14.145 -8.486 1.00 0.00 C ATOM 614 O PRO A 49 -0.654 14.666 -8.882 1.00 0.00 O ATOM 615 CB PRO A 49 -0.980 13.267 -6.574 1.00 0.00 C ATOM 616 CG PRO A 49 -1.006 14.370 -5.574 1.00 0.00 C ATOM 617 CD PRO A 49 0.393 14.473 -5.037 1.00 0.00 C ATOM 0 HA PRO A 49 0.819 12.361 -7.474 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.755 13.399 -7.329 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.157 12.301 -6.102 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.317 15.307 -6.035 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.716 14.156 -4.775 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.646 15.499 -4.768 1.00 0.00 H new ATOM 0 HD3 PRO A 49 0.525 13.867 -4.141 1.00 0.00 H new ATOM 625 N ARG A 50 1.542 14.247 -9.140 1.00 0.00 N ATOM 626 CA ARG A 50 1.649 14.993 -10.388 1.00 0.00 C ATOM 627 C ARG A 50 1.454 14.079 -11.597 1.00 0.00 C ATOM 628 O ARG A 50 1.860 14.414 -12.710 1.00 0.00 O ATOM 629 CB ARG A 50 3.010 15.690 -10.474 1.00 0.00 C ATOM 630 CG ARG A 50 2.943 17.189 -10.226 1.00 0.00 C ATOM 631 CD ARG A 50 4.015 17.931 -11.008 1.00 0.00 C ATOM 632 NE ARG A 50 5.189 18.221 -10.189 1.00 0.00 N ATOM 633 CZ ARG A 50 6.368 18.589 -10.686 1.00 0.00 C ATOM 634 NH1 ARG A 50 6.534 18.714 -11.998 1.00 0.00 N ATOM 635 NH2 ARG A 50 7.385 18.834 -9.871 1.00 0.00 N ATOM 0 H ARG A 50 2.415 13.822 -8.826 1.00 0.00 H new ATOM 0 HA ARG A 50 0.860 15.745 -10.398 1.00 0.00 H new ATOM 0 HB2 ARG A 50 3.686 15.240 -9.747 1.00 0.00 H new ATOM 0 HB3 ARG A 50 3.438 15.512 -11.460 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.959 17.562 -10.511 1.00 0.00 H new ATOM 0 HG3 ARG A 50 3.064 17.389 -9.161 1.00 0.00 H new ATOM 0 HD2 ARG A 50 4.313 17.334 -11.870 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.602 18.864 -11.393 1.00 0.00 H new ATOM 0 HE ARG A 50 5.100 18.137 -9.176 1.00 0.00 H new ATOM 0 HH11 ARG A 50 5.756 18.528 -12.631 1.00 0.00 H new ATOM 0 HH12 ARG A 50 7.440 18.996 -12.373 1.00 0.00 H new ATOM 0 HH21 ARG A 50 7.264 18.741 -8.862 1.00 0.00 H new ATOM 0 HH22 ARG A 50 8.288 19.116 -10.253 1.00 0.00 H new ATOM 649 N ARG A 51 0.833 12.923 -11.373 1.00 0.00 N ATOM 650 CA ARG A 51 0.588 11.964 -12.445 1.00 0.00 C ATOM 651 C ARG A 51 1.876 11.641 -13.198 1.00 0.00 C ATOM 652 O ARG A 51 1.900 11.612 -14.427 1.00 0.00 O ATOM 653 CB ARG A 51 -0.464 12.509 -13.414 1.00 0.00 C ATOM 654 CG ARG A 51 -1.892 12.170 -13.016 1.00 0.00 C ATOM 655 CD ARG A 51 -2.695 11.654 -14.201 1.00 0.00 C ATOM 656 NE ARG A 51 -4.118 11.964 -14.073 1.00 0.00 N ATOM 657 CZ ARG A 51 -4.975 11.941 -15.092 1.00 0.00 C ATOM 658 NH1 ARG A 51 -4.559 11.623 -16.311 1.00 0.00 N ATOM 659 NH2 ARG A 51 -6.252 12.236 -14.889 1.00 0.00 N ATOM 0 H ARG A 51 0.491 12.629 -10.458 1.00 0.00 H new ATOM 0 HA ARG A 51 0.216 11.044 -11.995 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.361 13.592 -13.477 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -0.269 12.111 -14.410 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.882 11.418 -12.227 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.376 13.056 -12.605 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -2.309 12.094 -15.120 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.565 10.575 -14.285 1.00 0.00 H new ATOM 0 HE ARG A 51 -4.475 12.212 -13.150 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -3.578 11.394 -16.472 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -5.220 11.607 -17.088 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -6.577 12.480 -13.953 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -6.910 12.219 -15.669 1.00 0.00 H new ATOM 673 N SER A 52 2.947 11.398 -12.446 1.00 0.00 N ATOM 674 CA SER A 52 4.244 11.077 -13.037 1.00 0.00 C ATOM 675 C SER A 52 5.327 11.004 -11.964 1.00 0.00 C ATOM 676 O SER A 52 6.258 10.205 -12.062 1.00 0.00 O ATOM 677 CB SER A 52 4.627 12.122 -14.089 1.00 0.00 C ATOM 678 OG SER A 52 4.202 11.725 -15.381 1.00 0.00 O ATOM 0 H SER A 52 2.942 11.417 -11.426 1.00 0.00 H new ATOM 0 HA SER A 52 4.162 10.102 -13.517 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.177 13.081 -13.834 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.707 12.266 -14.086 1.00 0.00 H new ATOM 0 HG SER A 52 3.299 11.347 -15.327 1.00 0.00 H new ATOM 684 N ARG A 53 5.198 11.847 -10.944 1.00 0.00 N ATOM 685 CA ARG A 53 6.166 11.887 -9.854 1.00 0.00 C ATOM 686 C ARG A 53 6.235 10.548 -9.124 1.00 0.00 C ATOM 687 O ARG A 53 5.583 10.355 -8.097 1.00 0.00 O ATOM 688 CB ARG A 53 5.803 12.999 -8.867 1.00 0.00 C ATOM 689 CG ARG A 53 6.967 13.448 -7.999 1.00 0.00 C ATOM 690 CD ARG A 53 8.030 14.167 -8.817 1.00 0.00 C ATOM 691 NE ARG A 53 9.260 13.385 -8.925 1.00 0.00 N ATOM 692 CZ ARG A 53 10.180 13.312 -7.966 1.00 0.00 C ATOM 693 NH1 ARG A 53 10.013 13.969 -6.825 1.00 0.00 N ATOM 694 NH2 ARG A 53 11.270 12.579 -8.147 1.00 0.00 N ATOM 0 H ARG A 53 4.431 12.513 -10.850 1.00 0.00 H new ATOM 0 HA ARG A 53 7.146 12.091 -10.284 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.423 13.856 -9.423 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.994 12.652 -8.224 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.602 14.110 -7.213 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.410 12.582 -7.506 1.00 0.00 H new ATOM 0 HD2 ARG A 53 7.642 14.372 -9.815 1.00 0.00 H new ATOM 0 HD3 ARG A 53 8.252 15.130 -8.357 1.00 0.00 H new ATOM 0 HE ARG A 53 9.423 12.864 -9.787 1.00 0.00 H new ATOM 0 HH11 ARG A 53 9.176 14.534 -6.679 1.00 0.00 H new ATOM 0 HH12 ARG A 53 10.722 13.909 -6.094 1.00 0.00 H new ATOM 0 HH21 ARG A 53 11.404 12.071 -9.021 1.00 0.00 H new ATOM 0 HH22 ARG A 53 11.975 12.523 -7.412 1.00 0.00 H new ATOM 708 N ARG A 54 7.034 9.628 -9.657 1.00 0.00 N ATOM 709 CA ARG A 54 7.195 8.311 -9.055 1.00 0.00 C ATOM 710 C ARG A 54 8.048 8.392 -7.793 1.00 0.00 C ATOM 711 O ARG A 54 9.179 8.877 -7.831 1.00 0.00 O ATOM 712 CB ARG A 54 7.842 7.358 -10.059 1.00 0.00 C ATOM 713 CG ARG A 54 7.587 5.890 -9.765 1.00 0.00 C ATOM 714 CD ARG A 54 8.134 5.005 -10.872 1.00 0.00 C ATOM 715 NE ARG A 54 9.238 4.168 -10.410 1.00 0.00 N ATOM 716 CZ ARG A 54 9.787 3.197 -11.137 1.00 0.00 C ATOM 717 NH1 ARG A 54 9.339 2.939 -12.358 1.00 0.00 N ATOM 718 NH2 ARG A 54 10.788 2.482 -10.640 1.00 0.00 N ATOM 0 H ARG A 54 7.580 9.772 -10.506 1.00 0.00 H new ATOM 0 HA ARG A 54 6.210 7.934 -8.781 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.469 7.589 -11.057 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.918 7.535 -10.072 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.052 5.620 -8.817 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.516 5.719 -9.655 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.335 4.371 -11.257 1.00 0.00 H new ATOM 0 HD3 ARG A 54 8.473 5.628 -11.700 1.00 0.00 H new ATOM 0 HE ARG A 54 9.610 4.337 -9.476 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.570 3.486 -12.745 1.00 0.00 H new ATOM 0 HH12 ARG A 54 9.764 2.194 -12.910 1.00 0.00 H new ATOM 0 HH21 ARG A 54 11.137 2.676 -9.701 1.00 0.00 H new ATOM 0 HH22 ARG A 54 11.209 1.738 -11.197 1.00 0.00 H new ATOM 732 N SER A 55 7.504 7.919 -6.676 1.00 0.00 N ATOM 733 CA SER A 55 8.229 7.948 -5.409 1.00 0.00 C ATOM 734 C SER A 55 7.878 6.750 -4.528 1.00 0.00 C ATOM 735 O SER A 55 8.159 6.753 -3.330 1.00 0.00 O ATOM 736 CB SER A 55 7.931 9.247 -4.661 1.00 0.00 C ATOM 737 OG SER A 55 8.929 9.516 -3.691 1.00 0.00 O ATOM 0 H SER A 55 6.570 7.513 -6.621 1.00 0.00 H new ATOM 0 HA SER A 55 9.293 7.895 -5.638 1.00 0.00 H new ATOM 0 HB2 SER A 55 7.875 10.074 -5.369 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.957 9.176 -4.176 1.00 0.00 H new ATOM 0 HG SER A 55 9.094 8.710 -3.159 1.00 0.00 H new ATOM 743 N ALA A 56 7.275 5.723 -5.120 1.00 0.00 N ATOM 744 CA ALA A 56 6.908 4.526 -4.373 1.00 0.00 C ATOM 745 C ALA A 56 8.096 3.578 -4.266 1.00 0.00 C ATOM 746 O ALA A 56 8.191 2.597 -5.003 1.00 0.00 O ATOM 747 CB ALA A 56 5.724 3.831 -5.028 1.00 0.00 C ATOM 0 H ALA A 56 7.031 5.696 -6.110 1.00 0.00 H new ATOM 0 HA ALA A 56 6.616 4.824 -3.366 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.464 2.940 -4.457 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.871 4.509 -5.051 1.00 0.00 H new ATOM 0 HB3 ALA A 56 5.988 3.545 -6.046 1.00 0.00 H new ATOM 753 N LEU A 57 9.007 3.891 -3.352 1.00 0.00 N ATOM 754 CA LEU A 57 10.204 3.081 -3.151 1.00 0.00 C ATOM 755 C LEU A 57 10.248 2.497 -1.744 1.00 0.00 C ATOM 756 O LEU A 57 10.457 1.297 -1.562 1.00 0.00 O ATOM 757 CB LEU A 57 11.443 3.934 -3.376 1.00 0.00 C ATOM 758 CG LEU A 57 11.460 5.230 -2.571 1.00 0.00 C ATOM 759 CD1 LEU A 57 12.652 5.258 -1.630 1.00 0.00 C ATOM 760 CD2 LEU A 57 11.460 6.426 -3.502 1.00 0.00 C ATOM 0 H LEU A 57 8.940 4.702 -2.737 1.00 0.00 H new ATOM 0 HA LEU A 57 10.178 2.259 -3.866 1.00 0.00 H new ATOM 0 HB2 LEU A 57 12.326 3.348 -3.120 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.517 4.176 -4.436 1.00 0.00 H new ATOM 0 HG LEU A 57 10.558 5.279 -1.962 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.647 6.190 -1.064 1.00 0.00 H new ATOM 0 HD12 LEU A 57 12.592 4.415 -0.941 1.00 0.00 H new ATOM 0 HD13 LEU A 57 13.574 5.189 -2.208 1.00 0.00 H new ATOM 0 HD21 LEU A 57 11.472 7.344 -2.915 1.00 0.00 H new ATOM 0 HD22 LEU A 57 12.344 6.391 -4.139 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.564 6.404 -4.123 1.00 0.00 H new ATOM 766 N HIS A 58 10.051 3.359 -0.749 1.00 0.00 N ATOM 767 CA HIS A 58 10.067 2.943 0.644 1.00 0.00 C ATOM 768 C HIS A 58 8.996 1.894 0.905 1.00 0.00 C ATOM 769 O HIS A 58 9.034 1.193 1.917 1.00 0.00 O ATOM 770 CB HIS A 58 9.847 4.151 1.555 1.00 0.00 C ATOM 771 CG HIS A 58 10.666 4.113 2.805 1.00 0.00 C ATOM 772 ND1 HIS A 58 10.702 3.023 3.647 1.00 0.00 N ATOM 773 CD2 HIS A 58 11.486 5.039 3.355 1.00 0.00 C ATOM 774 CE1 HIS A 58 11.507 3.282 4.664 1.00 0.00 C ATOM 775 NE2 HIS A 58 11.996 4.498 4.509 1.00 0.00 N ATOM 0 H HIS A 58 9.878 4.355 -0.887 1.00 0.00 H new ATOM 0 HA HIS A 58 11.041 2.504 0.860 1.00 0.00 H new ATOM 0 HB2 HIS A 58 10.084 5.060 1.003 1.00 0.00 H new ATOM 0 HB3 HIS A 58 8.792 4.206 1.823 1.00 0.00 H new ATOM 0 HD2 HIS A 58 11.699 6.021 2.959 1.00 0.00 H new ATOM 0 HE1 HIS A 58 11.727 2.612 5.482 1.00 0.00 H new ATOM 0 HE2 HIS A 58 12.647 4.961 5.143 1.00 0.00 H new ATOM 784 N ILE A 59 8.039 1.794 -0.010 1.00 0.00 N ATOM 785 CA ILE A 59 6.962 0.836 0.126 1.00 0.00 C ATOM 786 C ILE A 59 7.323 -0.510 -0.503 1.00 0.00 C ATOM 787 O ILE A 59 6.454 -1.349 -0.744 1.00 0.00 O ATOM 788 CB ILE A 59 5.650 1.400 -0.470 1.00 0.00 C ATOM 789 CG1 ILE A 59 4.489 1.128 0.483 1.00 0.00 C ATOM 790 CG2 ILE A 59 5.353 0.834 -1.854 1.00 0.00 C ATOM 791 CD1 ILE A 59 4.386 -0.324 0.881 1.00 0.00 C ATOM 0 H ILE A 59 7.992 2.367 -0.852 1.00 0.00 H new ATOM 0 HA ILE A 59 6.804 0.662 1.190 1.00 0.00 H new ATOM 0 HB ILE A 59 5.777 2.476 -0.590 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.610 1.738 1.378 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.557 1.437 0.010 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.423 1.260 -2.229 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.168 1.086 -2.533 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.256 -0.250 -1.791 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.543 -0.457 1.559 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.236 -0.935 -0.009 1.00 0.00 H new ATOM 0 HD13 ILE A 59 5.305 -0.630 1.381 1.00 0.00 H new ATOM 795 N THR A 60 8.614 -0.718 -0.751 1.00 0.00 N ATOM 796 CA THR A 60 9.087 -1.966 -1.336 1.00 0.00 C ATOM 797 C THR A 60 9.892 -2.771 -0.319 1.00 0.00 C ATOM 798 O THR A 60 10.839 -3.470 -0.678 1.00 0.00 O ATOM 799 CB THR A 60 9.943 -1.684 -2.571 1.00 0.00 C ATOM 800 OG1 THR A 60 11.177 -1.094 -2.201 1.00 0.00 O ATOM 801 CG2 THR A 60 9.273 -0.761 -3.566 1.00 0.00 C ATOM 0 H THR A 60 9.349 -0.038 -0.556 1.00 0.00 H new ATOM 0 HA THR A 60 8.217 -2.552 -1.632 1.00 0.00 H new ATOM 0 HB THR A 60 10.095 -2.654 -3.045 1.00 0.00 H new ATOM 0 HG1 THR A 60 11.016 -0.196 -1.844 1.00 0.00 H new ATOM 0 HG21 THR A 60 9.934 -0.603 -4.418 1.00 0.00 H new ATOM 0 HG22 THR A 60 8.341 -1.210 -3.909 1.00 0.00 H new ATOM 0 HG23 THR A 60 9.061 0.196 -3.089 1.00 0.00 H new ATOM 806 N LYS A 61 9.513 -2.665 0.953 1.00 0.00 N ATOM 807 CA LYS A 61 10.210 -3.386 2.019 1.00 0.00 C ATOM 808 C LYS A 61 9.233 -4.096 2.950 1.00 0.00 C ATOM 809 O LYS A 61 9.185 -5.325 2.990 1.00 0.00 O ATOM 810 CB LYS A 61 11.108 -2.435 2.826 1.00 0.00 C ATOM 811 CG LYS A 61 10.518 -1.042 3.045 1.00 0.00 C ATOM 812 CD LYS A 61 10.100 -0.823 4.495 1.00 0.00 C ATOM 813 CE LYS A 61 10.786 0.388 5.108 1.00 0.00 C ATOM 814 NZ LYS A 61 11.540 0.033 6.342 1.00 0.00 N ATOM 0 H LYS A 61 8.732 -2.091 1.271 1.00 0.00 H new ATOM 0 HA LYS A 61 10.834 -4.142 1.542 1.00 0.00 H new ATOM 0 HB2 LYS A 61 11.314 -2.886 3.797 1.00 0.00 H new ATOM 0 HB3 LYS A 61 12.064 -2.335 2.312 1.00 0.00 H new ATOM 0 HG2 LYS A 61 11.252 -0.288 2.761 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.654 -0.907 2.394 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.019 -0.691 4.545 1.00 0.00 H new ATOM 0 HD3 LYS A 61 10.340 -1.711 5.080 1.00 0.00 H new ATOM 0 HE2 LYS A 61 11.468 0.827 4.379 1.00 0.00 H new ATOM 0 HE3 LYS A 61 10.040 1.147 5.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.993 0.885 6.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.886 -0.362 7.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 12.269 -0.673 6.113 1.00 0.00 H new ATOM 828 N ARG A 62 8.457 -3.322 3.698 1.00 0.00 N ATOM 829 CA ARG A 62 7.488 -3.889 4.624 1.00 0.00 C ATOM 830 C ARG A 62 6.220 -4.316 3.891 1.00 0.00 C ATOM 831 O ARG A 62 5.312 -4.896 4.487 1.00 0.00 O ATOM 832 CB ARG A 62 7.148 -2.879 5.719 1.00 0.00 C ATOM 833 CG ARG A 62 8.253 -2.700 6.747 1.00 0.00 C ATOM 834 CD ARG A 62 7.964 -3.483 8.018 1.00 0.00 C ATOM 835 NE ARG A 62 8.285 -4.901 7.872 1.00 0.00 N ATOM 836 CZ ARG A 62 7.804 -5.856 8.664 1.00 0.00 C ATOM 837 NH1 ARG A 62 6.982 -5.551 9.660 1.00 0.00 N ATOM 838 NH2 ARG A 62 8.146 -7.121 8.460 1.00 0.00 N ATOM 0 H ARG A 62 8.480 -2.302 3.681 1.00 0.00 H new ATOM 0 HA ARG A 62 7.932 -4.772 5.083 1.00 0.00 H new ATOM 0 HB2 ARG A 62 6.933 -1.915 5.258 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.239 -3.200 6.228 1.00 0.00 H new ATOM 0 HG2 ARG A 62 9.202 -3.029 6.324 1.00 0.00 H new ATOM 0 HG3 ARG A 62 8.361 -1.642 6.987 1.00 0.00 H new ATOM 0 HD2 ARG A 62 8.542 -3.063 8.842 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.911 -3.375 8.279 1.00 0.00 H new ATOM 0 HE ARG A 62 8.915 -5.175 7.118 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.715 -4.580 9.822 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.617 -6.288 10.264 1.00 0.00 H new ATOM 0 HH21 ARG A 62 8.778 -7.362 7.696 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.777 -7.853 9.067 1.00 0.00 H new ATOM 852 N LEU A 63 6.167 -4.033 2.592 1.00 0.00 N ATOM 853 CA LEU A 63 5.019 -4.394 1.778 1.00 0.00 C ATOM 854 C LEU A 63 5.060 -5.873 1.446 1.00 0.00 C ATOM 855 O LEU A 63 4.201 -6.640 1.879 1.00 0.00 O ATOM 856 CB LEU A 63 5.006 -3.559 0.493 1.00 0.00 C ATOM 857 CG LEU A 63 3.672 -3.496 -0.253 1.00 0.00 C ATOM 858 CD1 LEU A 63 3.187 -4.894 -0.608 1.00 0.00 C ATOM 859 CD2 LEU A 63 2.630 -2.747 0.569 1.00 0.00 C ATOM 0 H LEU A 63 6.910 -3.553 2.083 1.00 0.00 H new ATOM 0 HA LEU A 63 4.107 -4.189 2.339 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.309 -2.542 0.741 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.760 -3.960 -0.185 1.00 0.00 H new ATOM 0 HG LEU A 63 3.825 -2.948 -1.182 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.237 -4.826 -1.138 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.923 -5.384 -1.245 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.053 -5.475 0.304 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.689 -2.714 0.020 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.478 -3.260 1.519 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.977 -1.731 0.757 1.00 0.00 H new ATOM 865 N SER A 64 6.071 -6.275 0.687 1.00 0.00 N ATOM 866 CA SER A 64 6.217 -7.673 0.321 1.00 0.00 C ATOM 867 C SER A 64 6.493 -8.496 1.571 1.00 0.00 C ATOM 868 O SER A 64 5.986 -9.612 1.727 1.00 0.00 O ATOM 869 CB SER A 64 7.338 -7.856 -0.702 1.00 0.00 C ATOM 870 OG SER A 64 8.218 -6.744 -0.704 1.00 0.00 O ATOM 0 H SER A 64 6.794 -5.658 0.317 1.00 0.00 H new ATOM 0 HA SER A 64 5.290 -8.017 -0.139 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.896 -8.764 -0.475 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.909 -7.985 -1.696 1.00 0.00 H new ATOM 0 HG SER A 64 8.926 -6.888 -1.366 1.00 0.00 H new ATOM 876 N ASP A 65 7.279 -7.923 2.481 1.00 0.00 N ATOM 877 CA ASP A 65 7.596 -8.591 3.733 1.00 0.00 C ATOM 878 C ASP A 65 6.308 -8.953 4.460 1.00 0.00 C ATOM 879 O ASP A 65 6.132 -10.085 4.912 1.00 0.00 O ATOM 880 CB ASP A 65 8.465 -7.693 4.615 1.00 0.00 C ATOM 881 CG ASP A 65 9.939 -7.802 4.278 1.00 0.00 C ATOM 882 OD1 ASP A 65 10.268 -7.898 3.077 1.00 0.00 O ATOM 883 OD2 ASP A 65 10.764 -7.794 5.215 1.00 0.00 O ATOM 0 H ASP A 65 7.704 -7.002 2.372 1.00 0.00 H new ATOM 0 HA ASP A 65 8.154 -9.502 3.516 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.145 -6.657 4.501 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.314 -7.960 5.661 1.00 0.00 H new ATOM 888 N ASP A 66 5.401 -7.984 4.551 1.00 0.00 N ATOM 889 CA ASP A 66 4.116 -8.206 5.204 1.00 0.00 C ATOM 890 C ASP A 66 3.133 -8.886 4.253 1.00 0.00 C ATOM 891 O ASP A 66 2.142 -9.469 4.685 1.00 0.00 O ATOM 892 CB ASP A 66 3.535 -6.881 5.693 1.00 0.00 C ATOM 893 CG ASP A 66 4.404 -6.223 6.747 1.00 0.00 C ATOM 894 OD1 ASP A 66 5.644 -6.334 6.649 1.00 0.00 O ATOM 895 OD2 ASP A 66 3.844 -5.596 7.671 1.00 0.00 O ATOM 0 H ASP A 66 5.532 -7.042 4.182 1.00 0.00 H new ATOM 0 HA ASP A 66 4.279 -8.861 6.060 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.419 -6.204 4.847 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.539 -7.053 6.102 1.00 0.00 H new ATOM 900 N ASP A 67 3.417 -8.798 2.955 1.00 0.00 N ATOM 901 CA ASP A 67 2.565 -9.387 1.925 1.00 0.00 C ATOM 902 C ASP A 67 2.400 -10.891 2.119 1.00 0.00 C ATOM 903 O ASP A 67 1.506 -11.501 1.532 1.00 0.00 O ATOM 904 CB ASP A 67 3.152 -9.100 0.540 1.00 0.00 C ATOM 905 CG ASP A 67 2.596 -10.013 -0.539 1.00 0.00 C ATOM 906 OD1 ASP A 67 1.370 -10.243 -0.547 1.00 0.00 O ATOM 907 OD2 ASP A 67 3.389 -10.496 -1.375 1.00 0.00 O ATOM 0 H ASP A 67 4.240 -8.319 2.589 1.00 0.00 H new ATOM 0 HA ASP A 67 1.578 -8.932 2.008 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.948 -8.063 0.272 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.236 -9.211 0.580 1.00 0.00 H new ATOM 912 N ARG A 68 3.258 -11.491 2.935 1.00 0.00 N ATOM 913 CA ARG A 68 3.188 -12.930 3.185 1.00 0.00 C ATOM 914 C ARG A 68 1.757 -13.367 3.481 1.00 0.00 C ATOM 915 O ARG A 68 1.396 -14.526 3.275 1.00 0.00 O ATOM 916 CB ARG A 68 4.134 -13.328 4.329 1.00 0.00 C ATOM 917 CG ARG A 68 3.554 -13.142 5.728 1.00 0.00 C ATOM 918 CD ARG A 68 3.648 -11.696 6.189 1.00 0.00 C ATOM 919 NE ARG A 68 2.454 -11.282 6.925 1.00 0.00 N ATOM 920 CZ ARG A 68 2.474 -10.499 8.004 1.00 0.00 C ATOM 921 NH1 ARG A 68 3.620 -10.022 8.473 1.00 0.00 N ATOM 922 NH2 ARG A 68 1.337 -10.188 8.612 1.00 0.00 N ATOM 0 H ARG A 68 4.007 -11.010 3.433 1.00 0.00 H new ATOM 0 HA ARG A 68 3.512 -13.446 2.281 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.415 -14.373 4.203 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.048 -12.740 4.248 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.511 -13.459 5.734 1.00 0.00 H new ATOM 0 HG3 ARG A 68 4.086 -13.783 6.431 1.00 0.00 H new ATOM 0 HD2 ARG A 68 4.526 -11.573 6.823 1.00 0.00 H new ATOM 0 HD3 ARG A 68 3.785 -11.047 5.324 1.00 0.00 H new ATOM 0 HE ARG A 68 1.549 -11.613 6.592 1.00 0.00 H new ATOM 0 HH11 ARG A 68 4.497 -10.253 8.007 1.00 0.00 H new ATOM 0 HH12 ARG A 68 3.623 -9.424 9.299 1.00 0.00 H new ATOM 0 HH21 ARG A 68 0.452 -10.548 8.254 1.00 0.00 H new ATOM 0 HH22 ARG A 68 1.347 -9.589 9.438 1.00 0.00 H new ATOM 936 N VAL A 69 0.944 -12.426 3.952 1.00 0.00 N ATOM 937 CA VAL A 69 -0.455 -12.697 4.263 1.00 0.00 C ATOM 938 C VAL A 69 -1.117 -13.529 3.172 1.00 0.00 C ATOM 939 O VAL A 69 -1.642 -14.612 3.428 1.00 0.00 O ATOM 940 CB VAL A 69 -1.271 -11.397 4.414 1.00 0.00 C ATOM 941 CG1 VAL A 69 -1.537 -11.092 5.881 1.00 0.00 C ATOM 942 CG2 VAL A 69 -0.578 -10.222 3.728 1.00 0.00 C ATOM 0 H VAL A 69 1.233 -11.464 4.127 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.450 -13.244 5.206 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.230 -11.548 3.919 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -2.114 -10.171 5.962 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.099 -11.913 6.327 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.589 -10.974 6.406 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.179 -9.321 3.853 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.404 -10.068 4.175 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.464 -10.437 2.666 1.00 0.00 H new ATOM 946 N THR A 70 -1.094 -12.999 1.956 1.00 0.00 N ATOM 947 CA THR A 70 -1.695 -13.670 0.817 1.00 0.00 C ATOM 948 C THR A 70 -1.045 -13.204 -0.480 1.00 0.00 C ATOM 949 O THR A 70 -0.189 -13.890 -1.037 1.00 0.00 O ATOM 950 CB THR A 70 -3.198 -13.413 0.783 1.00 0.00 C ATOM 951 OG1 THR A 70 -3.808 -13.849 1.984 1.00 0.00 O ATOM 952 CG2 THR A 70 -3.900 -14.100 -0.368 1.00 0.00 C ATOM 0 H THR A 70 -0.663 -12.101 1.735 1.00 0.00 H new ATOM 0 HA THR A 70 -1.529 -14.742 0.919 1.00 0.00 H new ATOM 0 HB THR A 70 -3.303 -12.336 0.656 1.00 0.00 H new ATOM 0 HG1 THR A 70 -4.666 -14.275 1.779 1.00 0.00 H new ATOM 0 HG21 THR A 70 -4.966 -13.874 -0.331 1.00 0.00 H new ATOM 0 HG22 THR A 70 -3.486 -13.744 -1.311 1.00 0.00 H new ATOM 0 HG23 THR A 70 -3.754 -15.178 -0.292 1.00 0.00 H new ATOM 957 N TRP A 71 -1.435 -12.020 -0.946 1.00 0.00 N ATOM 958 CA TRP A 71 -0.857 -11.459 -2.164 1.00 0.00 C ATOM 959 C TRP A 71 -0.825 -9.945 -2.095 1.00 0.00 C ATOM 960 O TRP A 71 -1.714 -9.312 -1.520 1.00 0.00 O ATOM 961 CB TRP A 71 -1.615 -11.909 -3.413 1.00 0.00 C ATOM 962 CG TRP A 71 -2.977 -11.312 -3.532 1.00 0.00 C ATOM 963 CD1 TRP A 71 -4.125 -11.842 -3.046 1.00 0.00 C ATOM 964 CD2 TRP A 71 -3.336 -10.078 -4.169 1.00 0.00 C ATOM 965 NE1 TRP A 71 -5.188 -11.029 -3.344 1.00 0.00 N ATOM 966 CE2 TRP A 71 -4.729 -9.935 -4.033 1.00 0.00 C ATOM 967 CE3 TRP A 71 -2.619 -9.082 -4.843 1.00 0.00 C ATOM 968 CZ2 TRP A 71 -5.419 -8.838 -4.544 1.00 0.00 C ATOM 969 CZ3 TRP A 71 -3.308 -7.992 -5.347 1.00 0.00 C ATOM 970 CH2 TRP A 71 -4.694 -7.879 -5.195 1.00 0.00 C ATOM 0 H TRP A 71 -2.143 -11.435 -0.503 1.00 0.00 H new ATOM 0 HA TRP A 71 0.164 -11.834 -2.237 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -1.033 -11.645 -4.296 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -1.703 -12.995 -3.403 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -4.193 -12.772 -2.502 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -6.161 -11.208 -3.094 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -1.549 -9.162 -4.967 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -6.489 -8.748 -4.430 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -2.766 -7.216 -5.866 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -5.202 -7.016 -5.600 1.00 0.00 H new ATOM 981 N ALA A 72 0.220 -9.378 -2.672 1.00 0.00 N ATOM 982 CA ALA A 72 0.408 -7.937 -2.671 1.00 0.00 C ATOM 983 C ALA A 72 0.833 -7.421 -4.045 1.00 0.00 C ATOM 984 O ALA A 72 1.819 -7.887 -4.617 1.00 0.00 O ATOM 985 CB ALA A 72 1.440 -7.573 -1.615 1.00 0.00 C ATOM 0 H ALA A 72 0.956 -9.897 -3.150 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.543 -7.460 -2.435 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.587 -6.493 -1.607 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.089 -7.898 -0.636 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.385 -8.066 -1.844 1.00 0.00 H new ATOM 991 N GLU A 73 0.084 -6.453 -4.565 1.00 0.00 N ATOM 992 CA GLU A 73 0.379 -5.862 -5.867 1.00 0.00 C ATOM 993 C GLU A 73 0.199 -4.347 -5.821 1.00 0.00 C ATOM 994 O GLU A 73 -0.794 -3.848 -5.295 1.00 0.00 O ATOM 995 CB GLU A 73 -0.525 -6.462 -6.945 1.00 0.00 C ATOM 996 CG GLU A 73 -0.036 -6.202 -8.361 1.00 0.00 C ATOM 997 CD GLU A 73 0.016 -7.462 -9.204 1.00 0.00 C ATOM 998 OE1 GLU A 73 0.412 -8.518 -8.668 1.00 0.00 O ATOM 999 OE2 GLU A 73 -0.341 -7.392 -10.399 1.00 0.00 O ATOM 0 H GLU A 73 -0.735 -6.060 -4.102 1.00 0.00 H new ATOM 0 HA GLU A 73 1.417 -6.085 -6.114 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.600 -7.538 -6.787 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.529 -6.052 -6.835 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.693 -5.476 -8.840 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.957 -5.755 -8.321 1.00 0.00 H new ATOM 1006 N GLN A 74 1.172 -3.618 -6.363 1.00 0.00 N ATOM 1007 CA GLN A 74 1.121 -2.158 -6.369 1.00 0.00 C ATOM 1008 C GLN A 74 0.420 -1.632 -7.617 1.00 0.00 C ATOM 1009 O GLN A 74 0.168 -2.381 -8.560 1.00 0.00 O ATOM 1010 CB GLN A 74 2.533 -1.575 -6.290 1.00 0.00 C ATOM 1011 CG GLN A 74 3.203 -1.761 -4.938 1.00 0.00 C ATOM 1012 CD GLN A 74 3.855 -3.123 -4.790 1.00 0.00 C ATOM 1013 OE1 GLN A 74 3.185 -4.153 -4.845 1.00 0.00 O ATOM 1014 NE2 GLN A 74 5.169 -3.132 -4.597 1.00 0.00 N ATOM 0 H GLN A 74 2.003 -4.013 -6.803 1.00 0.00 H new ATOM 0 HA GLN A 74 0.550 -1.845 -5.495 1.00 0.00 H new ATOM 0 HB2 GLN A 74 3.151 -2.041 -7.058 1.00 0.00 H new ATOM 0 HB3 GLN A 74 2.489 -0.510 -6.519 1.00 0.00 H new ATOM 0 HG2 GLN A 74 3.956 -0.985 -4.801 1.00 0.00 H new ATOM 0 HG3 GLN A 74 2.463 -1.630 -4.149 1.00 0.00 H new ATOM 0 HE21 GLN A 74 5.685 -2.253 -4.558 1.00 0.00 H new ATOM 0 HE22 GLN A 74 5.662 -4.018 -4.488 1.00 0.00 H new ATOM 1021 N GLN A 75 0.115 -0.335 -7.619 1.00 0.00 N ATOM 1022 CA GLN A 75 -0.548 0.290 -8.758 1.00 0.00 C ATOM 1023 C GLN A 75 -0.151 1.757 -8.869 1.00 0.00 C ATOM 1024 O GLN A 75 0.549 2.282 -8.005 1.00 0.00 O ATOM 1025 CB GLN A 75 -2.069 0.158 -8.632 1.00 0.00 C ATOM 1026 CG GLN A 75 -2.698 -0.682 -9.732 1.00 0.00 C ATOM 1027 CD GLN A 75 -3.279 -1.984 -9.214 1.00 0.00 C ATOM 1028 OE1 GLN A 75 -3.051 -3.050 -9.787 1.00 0.00 O ATOM 1029 NE2 GLN A 75 -4.035 -1.904 -8.124 1.00 0.00 N ATOM 0 H GLN A 75 0.316 0.300 -6.847 1.00 0.00 H new ATOM 0 HA GLN A 75 -0.229 -0.224 -9.665 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -2.308 -0.285 -7.665 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -2.514 1.153 -8.646 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -3.485 -0.106 -10.219 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -1.947 -0.901 -10.491 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -4.198 -1.000 -7.681 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -4.453 -2.747 -7.730 1.00 0.00 H new ATOM 1036 N TYR A 76 -0.598 2.413 -9.936 1.00 0.00 N ATOM 1037 CA TYR A 76 -0.283 3.819 -10.157 1.00 0.00 C ATOM 1038 C TYR A 76 -1.438 4.531 -10.854 1.00 0.00 C ATOM 1039 O TYR A 76 -1.876 5.589 -10.408 1.00 99.99 O ATOM 1040 CB TYR A 76 0.991 3.946 -10.994 1.00 0.00 C ATOM 1041 CG TYR A 76 2.244 4.134 -10.168 1.00 0.00 C ATOM 1042 CD1 TYR A 76 2.757 3.096 -9.399 1.00 0.00 C ATOM 1043 CD2 TYR A 76 2.914 5.350 -10.159 1.00 0.00 C ATOM 1044 CE1 TYR A 76 3.902 3.266 -8.643 1.00 0.00 C ATOM 1045 CE2 TYR A 76 4.060 5.528 -9.407 1.00 0.00 C ATOM 1046 CZ TYR A 76 4.549 4.484 -8.651 1.00 0.00 C ATOM 1047 OH TYR A 76 5.689 4.656 -7.899 1.00 0.00 O ATOM 0 H TYR A 76 -1.180 1.992 -10.661 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.123 4.291 -9.187 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.102 3.053 -11.609 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.885 4.790 -11.675 1.00 0.00 H new ATOM 0 HD1 TYR A 76 2.253 2.141 -9.392 1.00 0.00 H new ATOM 0 HD2 TYR A 76 2.533 6.170 -10.749 1.00 0.00 H new ATOM 0 HE1 TYR A 76 4.287 2.450 -8.050 1.00 0.00 H new ATOM 0 HE2 TYR A 76 4.570 6.480 -9.412 1.00 0.00 H new ATOM 0 HH TYR A 76 6.374 4.019 -8.192 1.00 0.00 H new TER 1057 TYR A 76