USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 801 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 71 ASN :FLIP amide:sc= -7.58! C(o=-11!,f=-6.3!) USER MOD Set 1.2: A 90 SER OG : rot 76:sc= 1.28 USER MOD Set 2.1: A 78 LYS NZ :NH3+ -172:sc= -1.48 (180deg=-1.88) USER MOD Set 2.2: A 86 THR OG1 : rot -120:sc= -0.126 USER MOD Set 3.1: A 19 ASN :FLIP amide:sc= -0.177 F(o=-1.8,f=-0.18) USER MOD Set 3.2: A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 35 SER OG : rot 107:sc= -2 USER MOD Set 4.2: A 38 ASN :FLIP amide:sc= -1.55 F(o=-4.5,f=-3.5) USER MOD Set 5.1: A 33 ASN : amide:sc= -0.114 K(o=-0.0041,f=-3.8!) USER MOD Set 5.2: A 36 LYS NZ :NH3+ 157:sc= 0.11 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 18:sc= -0.514 USER MOD Single : A 13 THR OG1 : rot 180:sc= -2.26! USER MOD Single : A 21 SER OG : rot -30:sc= -0.846 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -111:sc= -1.37 (180deg=-2.87!) USER MOD Single : A 39 HIS :FLIP no HE2:sc= -0.735 F(o=-2.3,f=-0.74) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= 0.7 K(o=0.7,f=-0.75) USER MOD Single : A 56 SER OG : rot -160:sc= -0.768 USER MOD Single : A 64 ASN :FLIP amide:sc= -2 F(o=-2.7,f=-2) USER MOD Single : A 66 GLN : amide:sc= -1.84 K(o=-1.8,f=-6.9!) USER MOD Single : A 74 SER OG : rot 38:sc= 0.662 USER MOD Single : A 80 ASN :FLIP amide:sc= -1.03 F(o=-1.5,f=-1) USER MOD Single : A 81 GLN :FLIP amide:sc= -0.426 F(o=-1.8,f=-0.43) USER MOD Single : A 84 MET CE :methyl -167:sc= -4.28! (180deg=-5.29!) USER MOD Single : A 91 MET CE :methyl -161:sc= -9.02! (180deg=-10.4!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot -62:sc= 0.262 USER MOD Single : A 96 ASN : amide:sc= -10.9! C(o=-11!,f=-23!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 MET CE :methyl -170:sc= -8.15! (180deg=-9.29!) USER MOD Single : A 102 GLN :FLIP amide:sc= -0.267 F(o=-0.78,f=-0.27) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 7 -4.597 -12.605 -15.403 1.00 0.00 N ATOM 2 CA GLY A 7 -3.646 -12.076 -14.446 1.00 0.00 C ATOM 3 C GLY A 7 -4.155 -10.819 -13.777 1.00 0.00 C ATOM 4 O GLY A 7 -3.859 -9.708 -14.218 1.00 0.00 O ATOM 0 HA2 GLY A 7 -3.437 -12.831 -13.688 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.704 -11.862 -14.951 1.00 0.00 H new ATOM 8 N THR A 8 -4.933 -10.991 -12.714 1.00 0.00 N ATOM 9 CA THR A 8 -5.492 -9.863 -11.990 1.00 0.00 C ATOM 10 C THR A 8 -4.445 -9.218 -11.088 1.00 0.00 C ATOM 11 O THR A 8 -4.426 -9.444 -9.880 1.00 0.00 O ATOM 12 CB THR A 8 -6.702 -10.309 -11.170 1.00 0.00 C ATOM 13 OG1 THR A 8 -6.294 -11.056 -10.037 1.00 0.00 O ATOM 14 CG2 THR A 8 -7.673 -11.163 -11.956 1.00 0.00 C ATOM 0 H THR A 8 -5.189 -11.903 -12.337 1.00 0.00 H new ATOM 0 HA THR A 8 -5.815 -9.118 -12.717 1.00 0.00 H new ATOM 0 HB THR A 8 -7.206 -9.389 -10.875 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.343 -10.895 -9.864 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.509 -11.446 -11.316 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.045 -10.598 -12.811 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.165 -12.061 -12.308 1.00 0.00 H new ATOM 22 N ARG A 9 -3.579 -8.411 -11.689 1.00 0.00 N ATOM 23 CA ARG A 9 -2.530 -7.725 -10.947 1.00 0.00 C ATOM 24 C ARG A 9 -1.837 -6.690 -11.827 1.00 0.00 C ATOM 25 O ARG A 9 -0.989 -7.030 -12.653 1.00 0.00 O ATOM 26 CB ARG A 9 -1.511 -8.732 -10.412 1.00 0.00 C ATOM 27 CG ARG A 9 -1.513 -8.844 -8.898 1.00 0.00 C ATOM 28 CD ARG A 9 -0.300 -9.607 -8.396 1.00 0.00 C ATOM 29 NE ARG A 9 -0.044 -9.361 -6.980 1.00 0.00 N ATOM 30 CZ ARG A 9 -0.682 -9.984 -5.992 1.00 0.00 C ATOM 31 NH1 ARG A 9 -1.620 -10.884 -6.260 1.00 0.00 N ATOM 32 NH2 ARG A 9 -0.385 -9.702 -4.730 1.00 0.00 N ATOM 0 H ARG A 9 -3.583 -8.216 -12.690 1.00 0.00 H new ATOM 0 HA ARG A 9 -2.989 -7.209 -10.104 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.719 -9.712 -10.842 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.515 -8.442 -10.746 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.525 -7.847 -8.458 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -2.422 -9.348 -8.570 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.452 -10.674 -8.556 1.00 0.00 H new ATOM 0 HD3 ARG A 9 0.575 -9.319 -8.978 1.00 0.00 H new ATOM 0 HE ARG A 9 0.666 -8.671 -6.733 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -1.856 -11.102 -7.228 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -2.105 -11.358 -5.498 1.00 0.00 H new ATOM 0 HH21 ARG A 9 0.332 -9.008 -4.518 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -0.874 -10.179 -3.972 1.00 0.00 H new ATOM 46 N GLU A 10 -2.207 -5.428 -11.648 1.00 0.00 N ATOM 47 CA GLU A 10 -1.625 -4.341 -12.428 1.00 0.00 C ATOM 48 C GLU A 10 -0.931 -3.327 -11.523 1.00 0.00 C ATOM 49 O GLU A 10 -1.447 -2.973 -10.463 1.00 0.00 O ATOM 50 CB GLU A 10 -2.710 -3.647 -13.256 1.00 0.00 C ATOM 51 CG GLU A 10 -3.760 -2.941 -12.415 1.00 0.00 C ATOM 52 CD GLU A 10 -4.801 -2.230 -13.257 1.00 0.00 C ATOM 53 OE1 GLU A 10 -4.441 -1.254 -13.947 1.00 0.00 O ATOM 54 OE2 GLU A 10 -5.976 -2.650 -13.227 1.00 0.00 O ATOM 0 H GLU A 10 -2.908 -5.131 -10.969 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.879 -4.767 -13.099 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.240 -2.921 -13.920 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.201 -4.386 -13.889 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.254 -3.669 -11.771 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.271 -2.218 -11.762 1.00 0.00 H new ATOM 61 N PHE A 11 0.240 -2.865 -11.951 1.00 0.00 N ATOM 62 CA PHE A 11 1.005 -1.890 -11.182 1.00 0.00 C ATOM 63 C PHE A 11 0.571 -0.469 -11.520 1.00 0.00 C ATOM 64 O PHE A 11 0.158 -0.186 -12.645 1.00 0.00 O ATOM 65 CB PHE A 11 2.502 -2.056 -11.453 1.00 0.00 C ATOM 66 CG PHE A 11 3.066 -3.353 -10.942 1.00 0.00 C ATOM 67 CD1 PHE A 11 2.888 -4.529 -11.652 1.00 0.00 C ATOM 68 CD2 PHE A 11 3.776 -3.393 -9.752 1.00 0.00 C ATOM 69 CE1 PHE A 11 3.405 -5.722 -11.184 1.00 0.00 C ATOM 70 CE2 PHE A 11 4.295 -4.584 -9.280 1.00 0.00 C ATOM 71 CZ PHE A 11 4.110 -5.750 -9.997 1.00 0.00 C ATOM 0 H PHE A 11 0.680 -3.150 -12.826 1.00 0.00 H new ATOM 0 HA PHE A 11 0.812 -2.068 -10.124 1.00 0.00 H new ATOM 0 HB2 PHE A 11 2.678 -1.991 -12.527 1.00 0.00 H new ATOM 0 HB3 PHE A 11 3.040 -1.228 -10.991 1.00 0.00 H new ATOM 0 HD1 PHE A 11 2.339 -4.513 -12.582 1.00 0.00 H new ATOM 0 HD2 PHE A 11 3.925 -2.484 -9.188 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.258 -6.632 -11.746 1.00 0.00 H new ATOM 0 HE2 PHE A 11 4.845 -4.603 -8.351 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.516 -6.681 -9.630 1.00 0.00 H new ATOM 81 N LEU A 12 0.664 0.425 -10.539 1.00 0.00 N ATOM 82 CA LEU A 12 0.278 1.819 -10.737 1.00 0.00 C ATOM 83 C LEU A 12 1.254 2.763 -10.041 1.00 0.00 C ATOM 84 O LEU A 12 1.719 2.488 -8.935 1.00 0.00 O ATOM 85 CB LEU A 12 -1.138 2.060 -10.211 1.00 0.00 C ATOM 86 CG LEU A 12 -2.144 0.948 -10.517 1.00 0.00 C ATOM 87 CD1 LEU A 12 -3.234 0.907 -9.455 1.00 0.00 C ATOM 88 CD2 LEU A 12 -2.748 1.146 -11.899 1.00 0.00 C ATOM 0 H LEU A 12 1.002 0.210 -9.601 1.00 0.00 H new ATOM 0 HA LEU A 12 0.303 2.023 -11.807 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.089 2.197 -9.131 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.512 2.993 -10.634 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.619 -0.007 -10.504 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.940 0.110 -9.689 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.785 0.719 -8.480 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.758 1.862 -9.435 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.461 0.347 -12.102 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.259 2.108 -11.938 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.957 1.125 -12.648 1.00 0.00 H new ATOM 100 N THR A 13 1.552 3.879 -10.697 1.00 0.00 N ATOM 101 CA THR A 13 2.464 4.875 -10.143 1.00 0.00 C ATOM 102 C THR A 13 1.722 6.171 -9.840 1.00 0.00 C ATOM 103 O THR A 13 0.959 6.665 -10.670 1.00 0.00 O ATOM 104 CB THR A 13 3.608 5.150 -11.121 1.00 0.00 C ATOM 105 OG1 THR A 13 4.190 3.939 -11.569 1.00 0.00 O ATOM 106 CG2 THR A 13 4.709 5.999 -10.524 1.00 0.00 C ATOM 0 H THR A 13 1.175 4.118 -11.614 1.00 0.00 H new ATOM 0 HA THR A 13 2.876 4.481 -9.214 1.00 0.00 H new ATOM 0 HB THR A 13 3.157 5.697 -11.949 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.918 4.138 -12.194 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.490 6.158 -11.268 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.300 6.961 -10.216 1.00 0.00 H new ATOM 0 HG23 THR A 13 5.131 5.490 -9.657 1.00 0.00 H new ATOM 114 N PHE A 14 1.939 6.719 -8.648 1.00 0.00 N ATOM 115 CA PHE A 14 1.271 7.954 -8.254 1.00 0.00 C ATOM 116 C PHE A 14 2.234 8.943 -7.601 1.00 0.00 C ATOM 117 O PHE A 14 3.206 8.552 -6.955 1.00 0.00 O ATOM 118 CB PHE A 14 0.118 7.647 -7.298 1.00 0.00 C ATOM 119 CG PHE A 14 -0.810 6.577 -7.798 1.00 0.00 C ATOM 120 CD1 PHE A 14 -1.276 6.603 -9.103 1.00 0.00 C ATOM 121 CD2 PHE A 14 -1.216 5.548 -6.966 1.00 0.00 C ATOM 122 CE1 PHE A 14 -2.129 5.620 -9.568 1.00 0.00 C ATOM 123 CE2 PHE A 14 -2.070 4.563 -7.424 1.00 0.00 C ATOM 124 CZ PHE A 14 -2.527 4.598 -8.728 1.00 0.00 C ATOM 0 H PHE A 14 2.567 6.331 -7.944 1.00 0.00 H new ATOM 0 HA PHE A 14 0.883 8.418 -9.161 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.527 7.340 -6.335 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.453 8.560 -7.126 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.969 7.400 -9.764 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -0.861 5.515 -5.947 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.484 5.651 -10.587 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.380 3.767 -6.764 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.193 3.829 -9.089 1.00 0.00 H new ATOM 134 N GLU A 15 1.937 10.228 -7.769 1.00 0.00 N ATOM 135 CA GLU A 15 2.745 11.299 -7.197 1.00 0.00 C ATOM 136 C GLU A 15 1.951 12.026 -6.117 1.00 0.00 C ATOM 137 O GLU A 15 0.977 12.714 -6.414 1.00 0.00 O ATOM 138 CB GLU A 15 3.165 12.282 -8.291 1.00 0.00 C ATOM 139 CG GLU A 15 3.671 11.602 -9.553 1.00 0.00 C ATOM 140 CD GLU A 15 2.606 11.501 -10.628 1.00 0.00 C ATOM 141 OE1 GLU A 15 1.632 10.742 -10.431 1.00 0.00 O ATOM 142 OE2 GLU A 15 2.745 12.180 -11.667 1.00 0.00 O ATOM 0 H GLU A 15 1.132 10.555 -8.304 1.00 0.00 H new ATOM 0 HA GLU A 15 3.641 10.868 -6.750 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.316 12.916 -8.545 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.946 12.936 -7.902 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.524 12.157 -9.943 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.027 10.602 -9.305 1.00 0.00 H new ATOM 149 N VAL A 16 2.355 11.849 -4.864 1.00 0.00 N ATOM 150 CA VAL A 16 1.657 12.474 -3.744 1.00 0.00 C ATOM 151 C VAL A 16 2.410 13.691 -3.209 1.00 0.00 C ATOM 152 O VAL A 16 3.413 13.549 -2.509 1.00 0.00 O ATOM 153 CB VAL A 16 1.423 11.478 -2.587 1.00 0.00 C ATOM 154 CG1 VAL A 16 0.017 11.642 -2.028 1.00 0.00 C ATOM 155 CG2 VAL A 16 1.651 10.044 -3.041 1.00 0.00 C ATOM 0 H VAL A 16 3.159 11.280 -4.598 1.00 0.00 H new ATOM 0 HA VAL A 16 0.693 12.799 -4.135 1.00 0.00 H new ATOM 0 HB VAL A 16 2.144 11.698 -1.799 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.135 10.934 -1.213 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.110 12.658 -1.655 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.712 11.451 -2.815 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.479 9.366 -2.205 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.961 9.805 -3.850 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.676 9.933 -3.393 1.00 0.00 H new ATOM 165 N PRO A 17 1.931 14.911 -3.525 1.00 0.00 N ATOM 166 CA PRO A 17 2.555 16.152 -3.067 1.00 0.00 C ATOM 167 C PRO A 17 2.236 16.447 -1.606 1.00 0.00 C ATOM 168 O PRO A 17 1.192 17.023 -1.296 1.00 0.00 O ATOM 169 CB PRO A 17 1.947 17.233 -3.975 1.00 0.00 C ATOM 170 CG PRO A 17 1.084 16.510 -4.962 1.00 0.00 C ATOM 171 CD PRO A 17 0.747 15.185 -4.343 1.00 0.00 C ATOM 0 HA PRO A 17 3.642 16.101 -3.125 1.00 0.00 H new ATOM 0 HB2 PRO A 17 1.361 17.946 -3.394 1.00 0.00 H new ATOM 0 HB3 PRO A 17 2.728 17.800 -4.482 1.00 0.00 H new ATOM 0 HG2 PRO A 17 0.180 17.079 -5.177 1.00 0.00 H new ATOM 0 HG3 PRO A 17 1.607 16.374 -5.909 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.160 15.237 -3.741 1.00 0.00 H new ATOM 0 HD3 PRO A 17 0.586 14.414 -5.096 1.00 0.00 H new ATOM 179 N LEU A 18 3.141 16.064 -0.709 1.00 0.00 N ATOM 180 CA LEU A 18 2.948 16.299 0.720 1.00 0.00 C ATOM 181 C LEU A 18 3.473 17.670 1.122 1.00 0.00 C ATOM 182 O LEU A 18 3.821 17.900 2.280 1.00 0.00 O ATOM 183 CB LEU A 18 3.648 15.217 1.532 1.00 0.00 C ATOM 184 CG LEU A 18 5.165 15.319 1.521 1.00 0.00 C ATOM 185 CD1 LEU A 18 5.679 15.879 2.842 1.00 0.00 C ATOM 186 CD2 LEU A 18 5.794 13.968 1.226 1.00 0.00 C ATOM 0 H LEU A 18 4.013 15.591 -0.945 1.00 0.00 H new ATOM 0 HA LEU A 18 1.878 16.265 0.927 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.298 15.268 2.563 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.357 14.241 1.144 1.00 0.00 H new ATOM 0 HG LEU A 18 5.453 16.007 0.726 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.767 15.943 2.811 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.261 16.873 3.003 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.377 15.222 3.658 1.00 0.00 H new ATOM 0 HD21 LEU A 18 6.880 14.065 1.223 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.496 13.253 1.992 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.459 13.616 0.251 1.00 0.00 H new ATOM 198 N ASN A 19 3.518 18.573 0.156 1.00 0.00 N ATOM 199 CA ASN A 19 3.987 19.934 0.375 1.00 0.00 C ATOM 200 C ASN A 19 3.438 20.512 1.681 1.00 0.00 C ATOM 201 O ASN A 19 4.075 21.355 2.315 1.00 0.00 O ATOM 202 CB ASN A 19 3.574 20.808 -0.812 1.00 0.00 C ATOM 203 CG ASN A 19 2.104 21.206 -0.773 1.00 0.00 C ATOM 204 OD1 ASN A 19 1.219 20.225 -0.602 1.00 0.00 O flip ATOM 205 ND2 ASN A 19 1.768 22.384 -0.892 1.00 0.00 N flip ATOM 0 H ASN A 19 3.230 18.384 -0.804 1.00 0.00 H new ATOM 0 HA ASN A 19 5.074 19.918 0.458 1.00 0.00 H new ATOM 0 HB2 ASN A 19 4.189 21.708 -0.825 1.00 0.00 H new ATOM 0 HB3 ASN A 19 3.775 20.271 -1.739 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.477 23.106 -1.021 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.781 22.638 -0.861 1.00 0.00 H new ATOM 212 N ASP A 20 2.255 20.052 2.075 1.00 0.00 N ATOM 213 CA ASP A 20 1.621 20.517 3.303 1.00 0.00 C ATOM 214 C ASP A 20 1.015 19.352 4.081 1.00 0.00 C ATOM 215 O ASP A 20 0.079 19.532 4.858 1.00 0.00 O ATOM 216 CB ASP A 20 0.540 21.550 2.983 1.00 0.00 C ATOM 217 CG ASP A 20 -0.510 21.014 2.031 1.00 0.00 C ATOM 218 OD1 ASP A 20 -0.639 19.775 1.926 1.00 0.00 O ATOM 219 OD2 ASP A 20 -1.203 21.830 1.389 1.00 0.00 O ATOM 0 H ASP A 20 1.715 19.356 1.560 1.00 0.00 H new ATOM 0 HA ASP A 20 2.387 20.982 3.923 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.059 21.867 3.908 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.005 22.434 2.546 1.00 0.00 H new ATOM 224 N SER A 21 1.557 18.156 3.866 1.00 0.00 N ATOM 225 CA SER A 21 1.073 16.960 4.546 1.00 0.00 C ATOM 226 C SER A 21 2.151 16.359 5.448 1.00 0.00 C ATOM 227 O SER A 21 1.855 15.544 6.321 1.00 0.00 O ATOM 228 CB SER A 21 0.612 15.919 3.524 1.00 0.00 C ATOM 229 OG SER A 21 -0.408 15.094 4.060 1.00 0.00 O ATOM 0 H SER A 21 2.333 17.990 3.225 1.00 0.00 H new ATOM 0 HA SER A 21 0.228 17.251 5.171 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.245 16.421 2.629 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.459 15.304 3.220 1.00 0.00 H new ATOM 0 HG SER A 21 -0.287 15.012 5.029 1.00 0.00 H new ATOM 235 N GLY A 22 3.402 16.765 5.232 1.00 0.00 N ATOM 236 CA GLY A 22 4.503 16.253 6.034 1.00 0.00 C ATOM 237 C GLY A 22 4.209 16.281 7.523 1.00 0.00 C ATOM 238 O GLY A 22 4.500 15.321 8.237 1.00 0.00 O ATOM 0 H GLY A 22 3.672 17.439 4.516 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.722 15.229 5.731 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.397 16.843 5.834 1.00 0.00 H new ATOM 242 N SER A 23 3.626 17.380 7.992 1.00 0.00 N ATOM 243 CA SER A 23 3.291 17.525 9.404 1.00 0.00 C ATOM 244 C SER A 23 2.410 16.368 9.872 1.00 0.00 C ATOM 245 O SER A 23 2.436 15.989 11.043 1.00 0.00 O ATOM 246 CB SER A 23 2.577 18.854 9.648 1.00 0.00 C ATOM 247 OG SER A 23 2.300 19.041 11.025 1.00 0.00 O ATOM 0 H SER A 23 3.376 18.183 7.415 1.00 0.00 H new ATOM 0 HA SER A 23 4.219 17.510 9.976 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.195 19.674 9.284 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.647 18.880 9.080 1.00 0.00 H new ATOM 0 HG SER A 23 1.845 19.899 11.153 1.00 0.00 H new ATOM 253 N ALA A 24 1.637 15.811 8.946 1.00 0.00 N ATOM 254 CA ALA A 24 0.751 14.696 9.255 1.00 0.00 C ATOM 255 C ALA A 24 1.372 13.368 8.833 1.00 0.00 C ATOM 256 O ALA A 24 1.029 12.314 9.367 1.00 0.00 O ATOM 257 CB ALA A 24 -0.595 14.890 8.573 1.00 0.00 C ATOM 0 H ALA A 24 1.607 16.115 7.973 1.00 0.00 H new ATOM 0 HA ALA A 24 0.601 14.671 10.334 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.248 14.051 8.811 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.051 15.816 8.924 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.452 14.943 7.494 1.00 0.00 H new ATOM 263 N GLY A 25 2.285 13.427 7.868 1.00 0.00 N ATOM 264 CA GLY A 25 2.937 12.223 7.387 1.00 0.00 C ATOM 265 C GLY A 25 2.388 11.770 6.050 1.00 0.00 C ATOM 266 O GLY A 25 2.220 10.574 5.815 1.00 0.00 O ATOM 0 H GLY A 25 2.585 14.288 7.411 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.008 12.404 7.296 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.810 11.426 8.119 1.00 0.00 H new ATOM 270 N LEU A 26 2.107 12.738 5.178 1.00 0.00 N ATOM 271 CA LEU A 26 1.569 12.473 3.842 1.00 0.00 C ATOM 272 C LEU A 26 0.055 12.264 3.867 1.00 0.00 C ATOM 273 O LEU A 26 -0.597 12.305 2.822 1.00 0.00 O ATOM 274 CB LEU A 26 2.248 11.260 3.195 1.00 0.00 C ATOM 275 CG LEU A 26 1.855 10.999 1.740 1.00 0.00 C ATOM 276 CD1 LEU A 26 2.028 12.255 0.900 1.00 0.00 C ATOM 277 CD2 LEU A 26 2.682 9.860 1.164 1.00 0.00 C ATOM 0 H LEU A 26 2.246 13.729 5.377 1.00 0.00 H new ATOM 0 HA LEU A 26 1.782 13.358 3.242 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.328 11.398 3.245 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.012 10.374 3.784 1.00 0.00 H new ATOM 0 HG LEU A 26 0.803 10.714 1.717 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.743 12.045 -0.131 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.395 13.049 1.298 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.070 12.572 0.930 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.391 9.686 0.128 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.739 10.121 1.205 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.510 8.955 1.746 1.00 0.00 H new ATOM 289 N GLY A 27 -0.507 12.045 5.053 1.00 0.00 N ATOM 290 CA GLY A 27 -1.937 11.842 5.162 1.00 0.00 C ATOM 291 C GLY A 27 -2.371 10.467 4.693 1.00 0.00 C ATOM 292 O GLY A 27 -3.138 10.346 3.737 1.00 0.00 O ATOM 0 H GLY A 27 0.002 12.005 5.936 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.241 11.980 6.200 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.453 12.601 4.575 1.00 0.00 H new ATOM 296 N VAL A 28 -1.892 9.429 5.374 1.00 0.00 N ATOM 297 CA VAL A 28 -2.250 8.055 5.028 1.00 0.00 C ATOM 298 C VAL A 28 -1.661 7.057 6.020 1.00 0.00 C ATOM 299 O VAL A 28 -0.681 7.347 6.707 1.00 0.00 O ATOM 300 CB VAL A 28 -1.789 7.663 3.603 1.00 0.00 C ATOM 301 CG1 VAL A 28 -2.974 7.597 2.654 1.00 0.00 C ATOM 302 CG2 VAL A 28 -0.731 8.627 3.078 1.00 0.00 C ATOM 0 H VAL A 28 -1.256 9.512 6.167 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.339 8.017 5.067 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.338 6.672 3.660 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.628 7.320 1.658 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.685 6.852 3.011 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.460 8.572 2.611 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.428 8.324 2.076 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.143 9.636 3.044 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.136 8.611 3.739 1.00 0.00 H new ATOM 312 N SER A 29 -2.263 5.872 6.073 1.00 0.00 N ATOM 313 CA SER A 29 -1.807 4.809 6.962 1.00 0.00 C ATOM 314 C SER A 29 -1.866 3.467 6.239 1.00 0.00 C ATOM 315 O SER A 29 -2.701 3.271 5.355 1.00 0.00 O ATOM 316 CB SER A 29 -2.667 4.763 8.226 1.00 0.00 C ATOM 317 OG SER A 29 -1.988 4.108 9.282 1.00 0.00 O ATOM 0 H SER A 29 -3.074 5.623 5.506 1.00 0.00 H new ATOM 0 HA SER A 29 -0.776 5.013 7.252 1.00 0.00 H new ATOM 0 HB2 SER A 29 -2.926 5.777 8.530 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.602 4.245 8.014 1.00 0.00 H new ATOM 0 HG SER A 29 -2.559 4.094 10.079 1.00 0.00 H new ATOM 323 N VAL A 30 -0.977 2.548 6.603 1.00 0.00 N ATOM 324 CA VAL A 30 -0.945 1.238 5.962 1.00 0.00 C ATOM 325 C VAL A 30 -0.684 0.118 6.962 1.00 0.00 C ATOM 326 O VAL A 30 -0.133 0.341 8.040 1.00 0.00 O ATOM 327 CB VAL A 30 0.131 1.178 4.863 1.00 0.00 C ATOM 328 CG1 VAL A 30 -0.258 2.053 3.681 1.00 0.00 C ATOM 329 CG2 VAL A 30 1.486 1.586 5.419 1.00 0.00 C ATOM 0 H VAL A 30 -0.276 2.684 7.331 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.930 1.094 5.519 1.00 0.00 H new ATOM 0 HB VAL A 30 0.205 0.149 4.510 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.516 1.996 2.916 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.204 1.705 3.267 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.365 3.086 4.013 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.234 1.537 4.627 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.430 2.605 5.803 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.767 0.909 6.226 1.00 0.00 H new ATOM 339 N LYS A 31 -1.072 -1.092 6.575 1.00 0.00 N ATOM 340 CA LYS A 31 -0.873 -2.272 7.406 1.00 0.00 C ATOM 341 C LYS A 31 -0.253 -3.390 6.577 1.00 0.00 C ATOM 342 O LYS A 31 -0.259 -3.332 5.351 1.00 0.00 O ATOM 343 CB LYS A 31 -2.195 -2.736 8.029 1.00 0.00 C ATOM 344 CG LYS A 31 -3.100 -3.484 7.066 1.00 0.00 C ATOM 345 CD LYS A 31 -3.384 -2.658 5.831 1.00 0.00 C ATOM 346 CE LYS A 31 -4.673 -3.098 5.158 1.00 0.00 C ATOM 347 NZ LYS A 31 -5.389 -1.957 4.521 1.00 0.00 N ATOM 0 H LYS A 31 -1.530 -1.281 5.683 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.194 -2.012 8.218 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.977 -3.379 8.882 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.729 -1.867 8.413 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.631 -4.425 6.778 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.037 -3.734 7.563 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.454 -1.605 6.103 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.555 -2.751 5.130 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.449 -3.852 4.403 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.324 -3.568 5.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.266 -1.762 5.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.781 -1.113 4.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.620 -2.198 3.536 1.00 0.00 H new ATOM 361 N GLY A 32 0.285 -4.403 7.246 1.00 0.00 N ATOM 362 CA GLY A 32 0.906 -5.506 6.539 1.00 0.00 C ATOM 363 C GLY A 32 0.198 -6.824 6.768 1.00 0.00 C ATOM 364 O GLY A 32 -0.407 -7.039 7.818 1.00 0.00 O ATOM 0 H GLY A 32 0.302 -4.480 8.263 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.918 -5.286 5.471 1.00 0.00 H new ATOM 0 HA3 GLY A 32 1.944 -5.597 6.857 1.00 0.00 H new ATOM 368 N ASN A 33 0.277 -7.711 5.782 1.00 0.00 N ATOM 369 CA ASN A 33 -0.359 -9.019 5.879 1.00 0.00 C ATOM 370 C ASN A 33 0.620 -10.131 5.516 1.00 0.00 C ATOM 371 O ASN A 33 1.393 -10.007 4.565 1.00 0.00 O ATOM 372 CB ASN A 33 -1.585 -9.082 4.966 1.00 0.00 C ATOM 373 CG ASN A 33 -2.881 -8.894 5.728 1.00 0.00 C ATOM 374 OD1 ASN A 33 -3.738 -9.778 5.749 1.00 0.00 O ATOM 375 ND2 ASN A 33 -3.032 -7.735 6.358 1.00 0.00 N ATOM 0 H ASN A 33 0.775 -7.548 4.907 1.00 0.00 H new ATOM 0 HA ASN A 33 -0.676 -9.165 6.912 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.503 -8.313 4.198 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -1.604 -10.044 4.453 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -3.884 -7.549 6.886 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -2.296 -7.031 6.314 1.00 0.00 H new ATOM 382 N ARG A 34 0.580 -11.217 6.279 1.00 0.00 N ATOM 383 CA ARG A 34 1.461 -12.353 6.039 1.00 0.00 C ATOM 384 C ARG A 34 0.775 -13.395 5.162 1.00 0.00 C ATOM 385 O ARG A 34 -0.439 -13.349 4.962 1.00 0.00 O ATOM 386 CB ARG A 34 1.885 -12.986 7.366 1.00 0.00 C ATOM 387 CG ARG A 34 2.735 -12.070 8.233 1.00 0.00 C ATOM 388 CD ARG A 34 2.285 -12.093 9.685 1.00 0.00 C ATOM 389 NE ARG A 34 3.388 -12.392 10.596 1.00 0.00 N ATOM 390 CZ ARG A 34 3.257 -12.458 11.920 1.00 0.00 C ATOM 391 NH1 ARG A 34 2.078 -12.246 12.490 1.00 0.00 N ATOM 392 NH2 ARG A 34 4.310 -12.738 12.676 1.00 0.00 N ATOM 0 H ARG A 34 -0.054 -11.335 7.070 1.00 0.00 H new ATOM 0 HA ARG A 34 2.347 -11.991 5.518 1.00 0.00 H new ATOM 0 HB2 ARG A 34 0.993 -13.275 7.922 1.00 0.00 H new ATOM 0 HB3 ARG A 34 2.443 -13.900 7.161 1.00 0.00 H new ATOM 0 HG2 ARG A 34 3.779 -12.376 8.171 1.00 0.00 H new ATOM 0 HG3 ARG A 34 2.678 -11.051 7.850 1.00 0.00 H new ATOM 0 HD2 ARG A 34 1.852 -11.127 9.945 1.00 0.00 H new ATOM 0 HD3 ARG A 34 1.500 -12.839 9.809 1.00 0.00 H new ATOM 0 HE ARG A 34 4.311 -12.560 10.195 1.00 0.00 H new ATOM 0 HH11 ARG A 34 1.264 -12.031 11.914 1.00 0.00 H new ATOM 0 HH12 ARG A 34 1.985 -12.298 13.504 1.00 0.00 H new ATOM 0 HH21 ARG A 34 5.219 -12.903 12.244 1.00 0.00 H new ATOM 0 HH22 ARG A 34 4.211 -12.789 13.690 1.00 0.00 H new ATOM 406 N SER A 35 1.559 -14.332 4.641 1.00 0.00 N ATOM 407 CA SER A 35 1.025 -15.386 3.782 1.00 0.00 C ATOM 408 C SER A 35 -0.122 -16.121 4.472 1.00 0.00 C ATOM 409 O SER A 35 -0.094 -16.339 5.684 1.00 0.00 O ATOM 410 CB SER A 35 2.128 -16.377 3.409 1.00 0.00 C ATOM 411 OG SER A 35 1.583 -17.580 2.894 1.00 0.00 O ATOM 0 H SER A 35 2.566 -14.385 4.797 1.00 0.00 H new ATOM 0 HA SER A 35 0.642 -14.921 2.874 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.789 -15.928 2.668 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.736 -16.596 4.287 1.00 0.00 H new ATOM 0 HG SER A 35 1.732 -17.619 1.926 1.00 0.00 H new ATOM 417 N LYS A 36 -1.129 -16.498 3.693 1.00 0.00 N ATOM 418 CA LYS A 36 -2.285 -17.209 4.228 1.00 0.00 C ATOM 419 C LYS A 36 -1.942 -18.661 4.551 1.00 0.00 C ATOM 420 O LYS A 36 -2.673 -19.331 5.280 1.00 0.00 O ATOM 421 CB LYS A 36 -3.445 -17.155 3.233 1.00 0.00 C ATOM 422 CG LYS A 36 -4.376 -15.971 3.446 1.00 0.00 C ATOM 423 CD LYS A 36 -3.689 -14.653 3.124 1.00 0.00 C ATOM 424 CE LYS A 36 -3.435 -13.831 4.378 1.00 0.00 C ATOM 425 NZ LYS A 36 -3.302 -12.380 4.074 1.00 0.00 N ATOM 0 H LYS A 36 -1.169 -16.323 2.689 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.582 -16.717 5.154 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.043 -17.113 2.221 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.021 -18.077 3.309 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.259 -16.084 2.818 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.720 -15.959 4.480 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.743 -14.849 2.620 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.306 -14.080 2.432 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.254 -13.981 5.082 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.526 -14.184 4.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.518 -11.825 4.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.329 -12.177 3.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.965 -12.122 3.316 1.00 0.00 H new ATOM 439 N GLU A 37 -0.828 -19.144 4.006 1.00 0.00 N ATOM 440 CA GLU A 37 -0.398 -20.519 4.240 1.00 0.00 C ATOM 441 C GLU A 37 0.643 -20.585 5.353 1.00 0.00 C ATOM 442 O GLU A 37 0.727 -21.577 6.078 1.00 0.00 O ATOM 443 CB GLU A 37 0.175 -21.120 2.956 1.00 0.00 C ATOM 444 CG GLU A 37 1.169 -20.212 2.248 1.00 0.00 C ATOM 445 CD GLU A 37 1.892 -20.911 1.114 1.00 0.00 C ATOM 446 OE1 GLU A 37 2.860 -21.650 1.392 1.00 0.00 O ATOM 447 OE2 GLU A 37 1.489 -20.721 -0.053 1.00 0.00 O ATOM 0 H GLU A 37 -0.209 -18.605 3.401 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.269 -21.097 4.549 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.664 -22.064 3.194 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.645 -21.348 2.275 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.644 -19.340 1.857 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.900 -19.847 2.970 1.00 0.00 H new ATOM 454 N ASN A 38 1.436 -19.527 5.480 1.00 0.00 N ATOM 455 CA ASN A 38 2.475 -19.470 6.504 1.00 0.00 C ATOM 456 C ASN A 38 2.734 -18.032 6.940 1.00 0.00 C ATOM 457 O ASN A 38 2.154 -17.093 6.394 1.00 0.00 O ATOM 458 CB ASN A 38 3.773 -20.099 5.986 1.00 0.00 C ATOM 459 CG ASN A 38 4.016 -19.807 4.517 1.00 0.00 C ATOM 460 OD1 ASN A 38 4.168 -18.530 4.183 1.00 0.00 O flip ATOM 461 ND2 ASN A 38 4.069 -20.719 3.690 1.00 0.00 N flip ATOM 0 H ASN A 38 1.380 -18.698 4.888 1.00 0.00 H new ATOM 0 HA ASN A 38 2.125 -20.036 7.368 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.613 -19.724 6.571 1.00 0.00 H new ATOM 0 HB3 ASN A 38 3.735 -21.178 6.137 1.00 0.00 H new ATOM 0 HD21 ASN A 38 3.947 -21.686 3.989 1.00 0.00 H new ATOM 0 HD22 ASN A 38 4.235 -20.506 2.706 1.00 0.00 H new ATOM 468 N HIS A 39 3.609 -17.865 7.925 1.00 0.00 N ATOM 469 CA HIS A 39 3.946 -16.540 8.432 1.00 0.00 C ATOM 470 C HIS A 39 4.966 -15.856 7.525 1.00 0.00 C ATOM 471 O HIS A 39 6.147 -15.772 7.857 1.00 0.00 O ATOM 472 CB HIS A 39 4.496 -16.639 9.857 1.00 0.00 C ATOM 473 CG HIS A 39 5.588 -17.651 10.010 1.00 0.00 C ATOM 474 ND1 HIS A 39 6.385 -18.241 9.087 1.00 0.00 N flip ATOM 475 CD2 HIS A 39 5.967 -18.170 11.229 1.00 0.00 C flip ATOM 476 CE1 HIS A 39 7.221 -19.097 9.760 1.00 0.00 C flip ATOM 477 NE2 HIS A 39 6.950 -19.034 11.051 1.00 0.00 N flip ATOM 0 H HIS A 39 4.098 -18.631 8.389 1.00 0.00 H new ATOM 0 HA HIS A 39 3.036 -15.940 8.444 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.872 -15.662 10.161 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.681 -16.891 10.535 1.00 0.00 H new ATOM 0 HD1 HIS A 39 6.367 -18.079 8.080 1.00 0.00 H new ATOM 0 HD2 HIS A 39 5.529 -17.911 12.181 1.00 0.00 H new ATOM 0 HE1 HIS A 39 7.978 -19.721 9.307 1.00 0.00 H new ATOM 486 N ALA A 40 4.498 -15.373 6.379 1.00 0.00 N ATOM 487 CA ALA A 40 5.364 -14.699 5.424 1.00 0.00 C ATOM 488 C ALA A 40 4.824 -13.318 5.070 1.00 0.00 C ATOM 489 O ALA A 40 3.859 -13.192 4.316 1.00 0.00 O ATOM 490 CB ALA A 40 5.521 -15.544 4.170 1.00 0.00 C ATOM 0 H ALA A 40 3.522 -15.437 6.090 1.00 0.00 H new ATOM 0 HA ALA A 40 6.342 -14.568 5.887 1.00 0.00 H new ATOM 0 HB1 ALA A 40 6.171 -15.029 3.463 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.961 -16.506 4.432 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.544 -15.704 3.714 1.00 0.00 H new ATOM 496 N ASP A 41 5.452 -12.283 5.618 1.00 0.00 N ATOM 497 CA ASP A 41 5.034 -10.910 5.361 1.00 0.00 C ATOM 498 C ASP A 41 5.091 -10.593 3.869 1.00 0.00 C ATOM 499 O ASP A 41 6.171 -10.497 3.286 1.00 0.00 O ATOM 500 CB ASP A 41 5.918 -9.931 6.136 1.00 0.00 C ATOM 501 CG ASP A 41 7.395 -10.238 5.985 1.00 0.00 C ATOM 502 OD1 ASP A 41 7.961 -9.925 4.917 1.00 0.00 O ATOM 503 OD2 ASP A 41 7.986 -10.793 6.935 1.00 0.00 O ATOM 0 H ASP A 41 6.253 -12.369 6.244 1.00 0.00 H new ATOM 0 HA ASP A 41 4.003 -10.802 5.698 1.00 0.00 H new ATOM 0 HB2 ASP A 41 5.724 -8.917 5.787 1.00 0.00 H new ATOM 0 HB3 ASP A 41 5.650 -9.962 7.192 1.00 0.00 H new ATOM 508 N LEU A 42 3.923 -10.432 3.258 1.00 0.00 N ATOM 509 CA LEU A 42 3.839 -10.126 1.835 1.00 0.00 C ATOM 510 C LEU A 42 4.157 -8.659 1.575 1.00 0.00 C ATOM 511 O LEU A 42 5.167 -8.330 0.954 1.00 0.00 O ATOM 512 CB LEU A 42 2.445 -10.460 1.299 1.00 0.00 C ATOM 513 CG LEU A 42 1.935 -11.858 1.654 1.00 0.00 C ATOM 514 CD1 LEU A 42 0.443 -11.824 1.947 1.00 0.00 C ATOM 515 CD2 LEU A 42 2.238 -12.835 0.528 1.00 0.00 C ATOM 0 H LEU A 42 3.020 -10.508 3.726 1.00 0.00 H new ATOM 0 HA LEU A 42 4.576 -10.738 1.315 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.739 -9.724 1.682 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.455 -10.358 0.214 1.00 0.00 H new ATOM 0 HG LEU A 42 2.452 -12.197 2.552 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.098 -12.827 2.197 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.252 -11.155 2.786 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.092 -11.465 1.068 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.869 -13.825 0.796 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.748 -12.500 -0.386 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.315 -12.881 0.366 1.00 0.00 H new ATOM 527 N GLY A 43 3.283 -7.782 2.054 1.00 0.00 N ATOM 528 CA GLY A 43 3.481 -6.358 1.867 1.00 0.00 C ATOM 529 C GLY A 43 2.539 -5.526 2.715 1.00 0.00 C ATOM 530 O GLY A 43 1.877 -6.048 3.614 1.00 0.00 O ATOM 0 H GLY A 43 2.439 -8.033 2.569 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.511 -6.102 2.115 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.335 -6.109 0.816 1.00 0.00 H new ATOM 534 N ILE A 44 2.476 -4.227 2.427 1.00 0.00 N ATOM 535 CA ILE A 44 1.606 -3.322 3.171 1.00 0.00 C ATOM 536 C ILE A 44 0.521 -2.739 2.270 1.00 0.00 C ATOM 537 O ILE A 44 0.786 -2.348 1.134 1.00 0.00 O ATOM 538 CB ILE A 44 2.387 -2.155 3.826 1.00 0.00 C ATOM 539 CG1 ILE A 44 3.869 -2.198 3.449 1.00 0.00 C ATOM 540 CG2 ILE A 44 2.228 -2.189 5.338 1.00 0.00 C ATOM 541 CD1 ILE A 44 4.621 -3.352 4.077 1.00 0.00 C ATOM 0 H ILE A 44 3.016 -3.780 1.686 1.00 0.00 H new ATOM 0 HA ILE A 44 1.153 -3.922 3.960 1.00 0.00 H new ATOM 0 HB ILE A 44 1.969 -1.222 3.449 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.958 -2.265 2.365 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.339 -1.262 3.750 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.783 -1.362 5.781 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.173 -2.096 5.595 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.614 -3.133 5.723 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.665 -3.319 3.765 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.564 -3.276 5.163 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.176 -4.294 3.756 1.00 0.00 H new ATOM 553 N PHE A 45 -0.699 -2.676 2.793 1.00 0.00 N ATOM 554 CA PHE A 45 -1.825 -2.131 2.043 1.00 0.00 C ATOM 555 C PHE A 45 -2.333 -0.857 2.698 1.00 0.00 C ATOM 556 O PHE A 45 -2.244 -0.697 3.916 1.00 0.00 O ATOM 557 CB PHE A 45 -2.975 -3.144 1.957 1.00 0.00 C ATOM 558 CG PHE A 45 -2.534 -4.578 1.973 1.00 0.00 C ATOM 559 CD1 PHE A 45 -1.374 -4.969 1.330 1.00 0.00 C ATOM 560 CD2 PHE A 45 -3.281 -5.531 2.642 1.00 0.00 C ATOM 561 CE1 PHE A 45 -0.964 -6.288 1.352 1.00 0.00 C ATOM 562 CE2 PHE A 45 -2.878 -6.852 2.671 1.00 0.00 C ATOM 563 CZ PHE A 45 -1.717 -7.231 2.025 1.00 0.00 C ATOM 0 H PHE A 45 -0.933 -2.995 3.733 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.472 -1.910 1.036 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.656 -2.976 2.791 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.539 -2.959 1.043 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.782 -4.235 0.804 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.190 -5.239 3.147 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.057 -6.581 0.844 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.469 -7.587 3.197 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.399 -8.263 2.046 1.00 0.00 H new ATOM 573 N VAL A 46 -2.877 0.043 1.892 1.00 0.00 N ATOM 574 CA VAL A 46 -3.408 1.296 2.414 1.00 0.00 C ATOM 575 C VAL A 46 -4.537 1.024 3.402 1.00 0.00 C ATOM 576 O VAL A 46 -5.572 0.465 3.038 1.00 0.00 O ATOM 577 CB VAL A 46 -3.938 2.204 1.293 1.00 0.00 C ATOM 578 CG1 VAL A 46 -4.146 3.620 1.807 1.00 0.00 C ATOM 579 CG2 VAL A 46 -2.996 2.196 0.098 1.00 0.00 C ATOM 0 H VAL A 46 -2.963 -0.068 0.882 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.586 1.806 2.915 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.901 1.814 0.964 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.521 4.249 1.000 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.868 3.608 2.624 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.198 4.019 2.167 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.392 2.846 -0.682 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.014 2.556 0.406 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.905 1.180 -0.287 1.00 0.00 H new ATOM 589 N LYS A 47 -4.329 1.413 4.654 1.00 0.00 N ATOM 590 CA LYS A 47 -5.326 1.199 5.697 1.00 0.00 C ATOM 591 C LYS A 47 -6.321 2.350 5.747 1.00 0.00 C ATOM 592 O LYS A 47 -7.530 2.133 5.836 1.00 0.00 O ATOM 593 CB LYS A 47 -4.640 1.041 7.057 1.00 0.00 C ATOM 594 CG LYS A 47 -5.608 0.909 8.220 1.00 0.00 C ATOM 595 CD LYS A 47 -6.389 -0.394 8.148 1.00 0.00 C ATOM 596 CE LYS A 47 -5.487 -1.597 8.373 1.00 0.00 C ATOM 597 NZ LYS A 47 -6.166 -2.659 9.165 1.00 0.00 N ATOM 0 H LYS A 47 -3.479 1.878 4.972 1.00 0.00 H new ATOM 0 HA LYS A 47 -5.872 0.285 5.462 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.998 0.161 7.029 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.994 1.902 7.230 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.058 0.953 9.160 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.301 1.751 8.216 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -7.181 -0.387 8.897 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.872 -0.477 7.174 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.177 -2.004 7.410 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.582 -1.280 8.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.518 -3.462 9.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.439 -2.279 10.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.016 -2.980 8.659 1.00 0.00 H new ATOM 611 N SER A 48 -5.810 3.573 5.691 1.00 0.00 N ATOM 612 CA SER A 48 -6.662 4.753 5.734 1.00 0.00 C ATOM 613 C SER A 48 -5.964 5.954 5.110 1.00 0.00 C ATOM 614 O SER A 48 -4.739 5.986 5.000 1.00 0.00 O ATOM 615 CB SER A 48 -7.053 5.072 7.178 1.00 0.00 C ATOM 616 OG SER A 48 -8.213 5.883 7.225 1.00 0.00 O ATOM 0 H SER A 48 -4.813 3.773 5.616 1.00 0.00 H new ATOM 0 HA SER A 48 -7.562 4.540 5.157 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.231 4.145 7.723 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.229 5.582 7.677 1.00 0.00 H new ATOM 0 HG SER A 48 -8.443 6.071 8.159 1.00 0.00 H new ATOM 622 N ILE A 49 -6.754 6.940 4.703 1.00 0.00 N ATOM 623 CA ILE A 49 -6.214 8.146 4.091 1.00 0.00 C ATOM 624 C ILE A 49 -6.734 9.393 4.794 1.00 0.00 C ATOM 625 O ILE A 49 -7.799 9.376 5.411 1.00 0.00 O ATOM 626 CB ILE A 49 -6.565 8.226 2.591 1.00 0.00 C ATOM 627 CG1 ILE A 49 -6.378 6.861 1.923 1.00 0.00 C ATOM 628 CG2 ILE A 49 -5.716 9.285 1.902 1.00 0.00 C ATOM 629 CD1 ILE A 49 -6.658 6.869 0.436 1.00 0.00 C ATOM 0 H ILE A 49 -7.771 6.927 4.786 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.130 8.097 4.195 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.612 8.512 2.495 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.356 6.522 2.090 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.036 6.138 2.404 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.976 9.328 0.844 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.902 10.256 2.362 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.661 9.030 2.006 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -6.505 5.868 0.032 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -7.689 7.177 0.262 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -5.982 7.567 -0.058 1.00 0.00 H new ATOM 641 N ILE A 50 -5.970 10.474 4.697 1.00 0.00 N ATOM 642 CA ILE A 50 -6.339 11.736 5.322 1.00 0.00 C ATOM 643 C ILE A 50 -6.861 12.715 4.273 1.00 0.00 C ATOM 644 O ILE A 50 -6.079 13.351 3.570 1.00 0.00 O ATOM 645 CB ILE A 50 -5.136 12.374 6.057 1.00 0.00 C ATOM 646 CG1 ILE A 50 -4.753 11.555 7.295 1.00 0.00 C ATOM 647 CG2 ILE A 50 -5.446 13.810 6.458 1.00 0.00 C ATOM 648 CD1 ILE A 50 -4.181 10.190 6.986 1.00 0.00 C ATOM 0 H ILE A 50 -5.086 10.501 4.188 1.00 0.00 H new ATOM 0 HA ILE A 50 -7.122 11.524 6.050 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.291 12.378 5.368 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.024 12.118 7.877 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.636 11.432 7.922 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.586 14.238 6.973 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.664 14.398 5.566 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.310 13.824 7.122 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.937 9.678 7.917 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.915 9.605 6.432 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.278 10.301 6.386 1.00 0.00 H new ATOM 660 N ASN A 51 -8.183 12.828 4.178 1.00 0.00 N ATOM 661 CA ASN A 51 -8.804 13.733 3.215 1.00 0.00 C ATOM 662 C ASN A 51 -8.451 15.183 3.527 1.00 0.00 C ATOM 663 O ASN A 51 -9.285 15.952 4.007 1.00 0.00 O ATOM 664 CB ASN A 51 -10.325 13.557 3.206 1.00 0.00 C ATOM 665 CG ASN A 51 -10.907 13.375 4.596 1.00 0.00 C ATOM 666 OD1 ASN A 51 -11.440 12.315 4.924 1.00 0.00 O ATOM 667 ND2 ASN A 51 -10.808 14.412 5.421 1.00 0.00 N ATOM 0 H ASN A 51 -8.843 12.306 4.754 1.00 0.00 H new ATOM 0 HA ASN A 51 -8.417 13.484 2.227 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.784 14.427 2.737 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.582 12.692 2.594 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -11.182 14.348 6.368 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -10.358 15.272 5.107 1.00 0.00 H new ATOM 674 N GLY A 52 -7.206 15.546 3.252 1.00 0.00 N ATOM 675 CA GLY A 52 -6.745 16.896 3.507 1.00 0.00 C ATOM 676 C GLY A 52 -5.351 17.141 2.960 1.00 0.00 C ATOM 677 O GLY A 52 -5.010 18.266 2.596 1.00 0.00 O ATOM 0 H GLY A 52 -6.502 14.924 2.854 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.439 17.606 3.057 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.750 17.082 4.581 1.00 0.00 H new ATOM 681 N GLY A 53 -4.544 16.084 2.899 1.00 0.00 N ATOM 682 CA GLY A 53 -3.192 16.216 2.390 1.00 0.00 C ATOM 683 C GLY A 53 -3.013 15.563 1.034 1.00 0.00 C ATOM 684 O GLY A 53 -3.981 15.128 0.411 1.00 0.00 O ATOM 0 H GLY A 53 -4.803 15.142 3.192 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.937 17.273 2.316 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.496 15.769 3.099 1.00 0.00 H new ATOM 688 N ALA A 54 -1.766 15.507 0.576 1.00 0.00 N ATOM 689 CA ALA A 54 -1.431 14.916 -0.719 1.00 0.00 C ATOM 690 C ALA A 54 -2.213 13.639 -1.005 1.00 0.00 C ATOM 691 O ALA A 54 -2.838 13.507 -2.055 1.00 0.00 O ATOM 692 CB ALA A 54 0.057 14.628 -0.781 1.00 0.00 C ATOM 0 H ALA A 54 -0.961 15.868 1.088 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.709 15.641 -1.484 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.302 14.188 -1.747 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.613 15.557 -0.654 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.326 13.932 0.014 1.00 0.00 H new ATOM 698 N ALA A 55 -2.160 12.696 -0.075 1.00 0.00 N ATOM 699 CA ALA A 55 -2.851 11.421 -0.239 1.00 0.00 C ATOM 700 C ALA A 55 -4.315 11.626 -0.613 1.00 0.00 C ATOM 701 O ALA A 55 -4.915 10.792 -1.290 1.00 0.00 O ATOM 702 CB ALA A 55 -2.742 10.602 1.033 1.00 0.00 C ATOM 0 H ALA A 55 -1.646 12.788 0.801 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.372 10.880 -1.055 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.261 9.653 0.900 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.692 10.413 1.255 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -3.195 11.151 1.859 1.00 0.00 H new ATOM 708 N SER A 56 -4.878 12.743 -0.174 1.00 0.00 N ATOM 709 CA SER A 56 -6.267 13.066 -0.467 1.00 0.00 C ATOM 710 C SER A 56 -6.394 13.672 -1.855 1.00 0.00 C ATOM 711 O SER A 56 -7.094 13.143 -2.719 1.00 0.00 O ATOM 712 CB SER A 56 -6.805 14.046 0.567 1.00 0.00 C ATOM 713 OG SER A 56 -8.135 14.433 0.262 1.00 0.00 O ATOM 0 H SER A 56 -4.393 13.442 0.388 1.00 0.00 H new ATOM 0 HA SER A 56 -6.848 12.144 -0.430 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.774 13.589 1.556 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.166 14.928 0.603 1.00 0.00 H new ATOM 0 HG SER A 56 -8.347 15.270 0.725 1.00 0.00 H new ATOM 719 N LYS A 57 -5.708 14.789 -2.056 1.00 0.00 N ATOM 720 CA LYS A 57 -5.736 15.485 -3.339 1.00 0.00 C ATOM 721 C LYS A 57 -5.251 14.581 -4.468 1.00 0.00 C ATOM 722 O LYS A 57 -5.599 14.787 -5.631 1.00 0.00 O ATOM 723 CB LYS A 57 -4.895 16.768 -3.295 1.00 0.00 C ATOM 724 CG LYS A 57 -3.635 16.671 -2.450 1.00 0.00 C ATOM 725 CD LYS A 57 -3.554 17.806 -1.439 1.00 0.00 C ATOM 726 CE LYS A 57 -2.212 18.518 -1.500 1.00 0.00 C ATOM 727 NZ LYS A 57 -2.373 19.999 -1.530 1.00 0.00 N ATOM 0 H LYS A 57 -5.124 15.234 -1.348 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.773 15.758 -3.535 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.614 17.037 -4.313 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -5.513 17.579 -2.910 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.619 15.715 -1.927 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.758 16.695 -3.097 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.354 18.521 -1.630 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.711 17.411 -0.435 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.611 18.235 -0.636 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.668 18.193 -2.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.436 20.449 -1.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.925 20.271 -2.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.870 20.312 -0.671 1.00 0.00 H new ATOM 741 N ASP A 58 -4.446 13.580 -4.124 1.00 0.00 N ATOM 742 CA ASP A 58 -3.920 12.650 -5.118 1.00 0.00 C ATOM 743 C ASP A 58 -5.053 11.996 -5.903 1.00 0.00 C ATOM 744 O ASP A 58 -5.043 11.984 -7.133 1.00 0.00 O ATOM 745 CB ASP A 58 -3.059 11.580 -4.443 1.00 0.00 C ATOM 746 CG ASP A 58 -1.595 11.707 -4.818 1.00 0.00 C ATOM 747 OD1 ASP A 58 -1.181 12.816 -5.214 1.00 0.00 O ATOM 748 OD2 ASP A 58 -0.866 10.699 -4.718 1.00 0.00 O ATOM 0 H ASP A 58 -4.144 13.392 -3.168 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.300 13.213 -5.815 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.164 11.660 -3.361 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.421 10.592 -4.726 1.00 0.00 H new ATOM 753 N GLY A 59 -6.032 11.462 -5.181 1.00 0.00 N ATOM 754 CA GLY A 59 -7.165 10.821 -5.822 1.00 0.00 C ATOM 755 C GLY A 59 -6.778 9.582 -6.610 1.00 0.00 C ATOM 756 O GLY A 59 -7.559 9.092 -7.425 1.00 0.00 O ATOM 0 H GLY A 59 -6.061 11.462 -4.161 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.898 10.548 -5.063 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.648 11.534 -6.490 1.00 0.00 H new ATOM 760 N ARG A 60 -5.577 9.067 -6.363 1.00 0.00 N ATOM 761 CA ARG A 60 -5.102 7.872 -7.057 1.00 0.00 C ATOM 762 C ARG A 60 -4.852 6.731 -6.073 1.00 0.00 C ATOM 763 O ARG A 60 -4.605 5.595 -6.477 1.00 0.00 O ATOM 764 CB ARG A 60 -3.816 8.176 -7.828 1.00 0.00 C ATOM 765 CG ARG A 60 -3.921 9.386 -8.742 1.00 0.00 C ATOM 766 CD ARG A 60 -2.553 9.980 -9.036 1.00 0.00 C ATOM 767 NE ARG A 60 -2.307 11.193 -8.258 1.00 0.00 N ATOM 768 CZ ARG A 60 -1.324 12.054 -8.519 1.00 0.00 C ATOM 769 NH1 ARG A 60 -0.474 11.824 -9.513 1.00 0.00 N ATOM 770 NH2 ARG A 60 -1.183 13.143 -7.779 1.00 0.00 N ATOM 0 H ARG A 60 -4.916 9.456 -5.690 1.00 0.00 H new ATOM 0 HA ARG A 60 -5.877 7.565 -7.759 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.007 8.339 -7.116 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -3.546 7.304 -8.424 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.402 9.097 -9.676 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -4.555 10.141 -8.277 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -1.782 9.243 -8.813 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.477 10.209 -10.099 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.923 11.392 -7.470 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.571 10.984 -10.083 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.276 12.488 -9.707 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.827 13.323 -7.009 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.430 13.802 -7.979 1.00 0.00 H new ATOM 784 N LEU A 61 -4.904 7.044 -4.783 1.00 0.00 N ATOM 785 CA LEU A 61 -4.671 6.050 -3.744 1.00 0.00 C ATOM 786 C LEU A 61 -5.960 5.325 -3.364 1.00 0.00 C ATOM 787 O LEU A 61 -7.041 5.913 -3.365 1.00 0.00 O ATOM 788 CB LEU A 61 -4.075 6.714 -2.502 1.00 0.00 C ATOM 789 CG LEU A 61 -2.684 7.320 -2.690 1.00 0.00 C ATOM 790 CD1 LEU A 61 -1.678 6.246 -3.072 1.00 0.00 C ATOM 791 CD2 LEU A 61 -2.716 8.421 -3.738 1.00 0.00 C ATOM 0 H LEU A 61 -5.106 7.980 -4.432 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.969 5.317 -4.141 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.754 7.499 -2.169 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.026 5.975 -1.703 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.372 7.759 -1.742 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.695 6.698 -3.201 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.631 5.494 -2.284 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.986 5.774 -4.005 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.717 8.839 -3.857 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.052 8.008 -4.689 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.402 9.206 -3.420 1.00 0.00 H new ATOM 803 N ARG A 62 -5.824 4.051 -3.019 1.00 0.00 N ATOM 804 CA ARG A 62 -6.961 3.235 -2.612 1.00 0.00 C ATOM 805 C ARG A 62 -6.746 2.726 -1.194 1.00 0.00 C ATOM 806 O ARG A 62 -5.621 2.716 -0.705 1.00 0.00 O ATOM 807 CB ARG A 62 -7.153 2.061 -3.576 1.00 0.00 C ATOM 808 CG ARG A 62 -8.603 1.823 -3.964 1.00 0.00 C ATOM 809 CD ARG A 62 -9.102 2.883 -4.932 1.00 0.00 C ATOM 810 NE ARG A 62 -9.473 4.119 -4.247 1.00 0.00 N ATOM 811 CZ ARG A 62 -9.525 5.311 -4.839 1.00 0.00 C ATOM 812 NH1 ARG A 62 -9.243 5.433 -6.133 1.00 0.00 N ATOM 813 NH2 ARG A 62 -9.859 6.384 -4.137 1.00 0.00 N ATOM 0 H ARG A 62 -4.931 3.558 -3.013 1.00 0.00 H new ATOM 0 HA ARG A 62 -7.862 3.848 -2.638 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.569 2.244 -4.478 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -6.755 1.156 -3.117 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -8.702 0.838 -4.419 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -9.225 1.824 -3.069 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -8.327 3.095 -5.668 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -9.963 2.499 -5.478 1.00 0.00 H new ATOM 0 HE ARG A 62 -9.706 4.066 -3.255 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -8.985 4.611 -6.678 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -9.285 6.349 -6.580 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -10.076 6.297 -3.144 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -9.899 7.297 -4.589 1.00 0.00 H new ATOM 827 N VAL A 63 -7.824 2.310 -0.535 1.00 0.00 N ATOM 828 CA VAL A 63 -7.729 1.808 0.835 1.00 0.00 C ATOM 829 C VAL A 63 -7.603 0.287 0.860 1.00 0.00 C ATOM 830 O VAL A 63 -8.048 -0.369 1.800 1.00 0.00 O ATOM 831 CB VAL A 63 -8.948 2.228 1.678 1.00 0.00 C ATOM 832 CG1 VAL A 63 -8.692 1.965 3.154 1.00 0.00 C ATOM 833 CG2 VAL A 63 -9.280 3.695 1.442 1.00 0.00 C ATOM 0 H VAL A 63 -8.767 2.310 -0.923 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.831 2.249 1.268 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.805 1.630 1.368 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.564 2.268 3.734 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.506 0.902 3.307 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.823 2.536 3.480 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -10.144 3.974 2.046 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -8.426 4.311 1.724 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.508 3.851 0.388 1.00 0.00 H new ATOM 843 N ASN A 64 -6.987 -0.261 -0.182 1.00 0.00 N ATOM 844 CA ASN A 64 -6.784 -1.698 -0.300 1.00 0.00 C ATOM 845 C ASN A 64 -5.720 -2.010 -1.353 1.00 0.00 C ATOM 846 O ASN A 64 -5.636 -3.137 -1.842 1.00 0.00 O ATOM 847 CB ASN A 64 -8.098 -2.389 -0.669 1.00 0.00 C ATOM 848 CG ASN A 64 -9.021 -2.557 0.520 1.00 0.00 C ATOM 849 OD1 ASN A 64 -9.985 -1.653 0.653 1.00 0.00 O flip ATOM 850 ND2 ASN A 64 -8.871 -3.489 1.311 1.00 0.00 N flip ATOM 0 H ASN A 64 -6.616 0.277 -0.965 1.00 0.00 H new ATOM 0 HA ASN A 64 -6.440 -2.074 0.664 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.606 -1.809 -1.439 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.882 -3.368 -1.098 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -8.117 -4.161 1.170 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.501 -3.589 2.107 1.00 0.00 H new ATOM 857 N ASP A 65 -4.910 -1.009 -1.702 1.00 0.00 N ATOM 858 CA ASP A 65 -3.861 -1.190 -2.696 1.00 0.00 C ATOM 859 C ASP A 65 -2.588 -1.713 -2.043 1.00 0.00 C ATOM 860 O ASP A 65 -2.261 -1.348 -0.912 1.00 0.00 O ATOM 861 CB ASP A 65 -3.580 0.132 -3.417 1.00 0.00 C ATOM 862 CG ASP A 65 -3.965 0.084 -4.883 1.00 0.00 C ATOM 863 OD1 ASP A 65 -4.917 -0.649 -5.224 1.00 0.00 O ATOM 864 OD2 ASP A 65 -3.317 0.784 -5.689 1.00 0.00 O ATOM 0 H ASP A 65 -4.963 -0.069 -1.310 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.202 -1.924 -3.426 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -4.130 0.935 -2.926 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.520 0.372 -3.330 1.00 0.00 H new ATOM 869 N GLN A 66 -1.877 -2.574 -2.767 1.00 0.00 N ATOM 870 CA GLN A 66 -0.639 -3.162 -2.273 1.00 0.00 C ATOM 871 C GLN A 66 0.568 -2.323 -2.682 1.00 0.00 C ATOM 872 O GLN A 66 0.934 -2.281 -3.856 1.00 0.00 O ATOM 873 CB GLN A 66 -0.485 -4.588 -2.810 1.00 0.00 C ATOM 874 CG GLN A 66 -0.079 -5.600 -1.752 1.00 0.00 C ATOM 875 CD GLN A 66 1.222 -5.235 -1.066 1.00 0.00 C ATOM 876 OE1 GLN A 66 1.241 -4.442 -0.125 1.00 0.00 O ATOM 877 NE2 GLN A 66 2.321 -5.816 -1.534 1.00 0.00 N ATOM 0 H GLN A 66 -2.141 -2.880 -3.703 1.00 0.00 H new ATOM 0 HA GLN A 66 -0.687 -3.187 -1.184 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.428 -4.902 -3.257 1.00 0.00 H new ATOM 0 HB3 GLN A 66 0.260 -4.588 -3.605 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -0.870 -5.677 -1.006 1.00 0.00 H new ATOM 0 HG3 GLN A 66 0.021 -6.582 -2.213 1.00 0.00 H new ATOM 0 HE21 GLN A 66 2.260 -6.468 -2.316 1.00 0.00 H new ATOM 0 HE22 GLN A 66 3.226 -5.611 -1.111 1.00 0.00 H new ATOM 886 N LEU A 67 1.187 -1.664 -1.708 1.00 0.00 N ATOM 887 CA LEU A 67 2.356 -0.836 -1.975 1.00 0.00 C ATOM 888 C LEU A 67 3.504 -1.683 -2.510 1.00 0.00 C ATOM 889 O LEU A 67 3.959 -2.617 -1.851 1.00 0.00 O ATOM 890 CB LEU A 67 2.793 -0.104 -0.705 1.00 0.00 C ATOM 891 CG LEU A 67 1.705 0.739 -0.039 1.00 0.00 C ATOM 892 CD1 LEU A 67 2.018 0.945 1.436 1.00 0.00 C ATOM 893 CD2 LEU A 67 1.560 2.075 -0.749 1.00 0.00 C ATOM 0 H LEU A 67 0.899 -1.687 -0.730 1.00 0.00 H new ATOM 0 HA LEU A 67 2.086 -0.099 -2.731 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.153 -0.839 0.014 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.635 0.543 -0.948 1.00 0.00 H new ATOM 0 HG LEU A 67 0.758 0.205 -0.116 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.233 1.547 1.894 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.071 -0.022 1.935 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.974 1.458 1.537 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.782 2.663 -0.263 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.505 2.616 -0.703 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.289 1.906 -1.791 1.00 0.00 H new ATOM 905 N ILE A 68 3.964 -1.356 -3.713 1.00 0.00 N ATOM 906 CA ILE A 68 5.054 -2.093 -4.339 1.00 0.00 C ATOM 907 C ILE A 68 6.380 -1.354 -4.200 1.00 0.00 C ATOM 908 O ILE A 68 7.425 -1.971 -3.994 1.00 0.00 O ATOM 909 CB ILE A 68 4.776 -2.345 -5.833 1.00 0.00 C ATOM 910 CG1 ILE A 68 3.375 -2.929 -6.021 1.00 0.00 C ATOM 911 CG2 ILE A 68 5.828 -3.277 -6.419 1.00 0.00 C ATOM 912 CD1 ILE A 68 3.188 -4.277 -5.359 1.00 0.00 C ATOM 0 H ILE A 68 3.599 -0.586 -4.273 1.00 0.00 H new ATOM 0 HA ILE A 68 5.122 -3.049 -3.820 1.00 0.00 H new ATOM 0 HB ILE A 68 4.827 -1.394 -6.363 1.00 0.00 H new ATOM 0 HG12 ILE A 68 2.642 -2.230 -5.618 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.170 -3.025 -7.087 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.617 -3.445 -7.475 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.814 -2.825 -6.313 1.00 0.00 H new ATOM 0 HG23 ILE A 68 5.807 -4.229 -5.889 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.172 -4.630 -5.533 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.897 -4.990 -5.779 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.360 -4.183 -4.287 1.00 0.00 H new ATOM 924 N ALA A 69 6.337 -0.030 -4.317 1.00 0.00 N ATOM 925 CA ALA A 69 7.546 0.780 -4.208 1.00 0.00 C ATOM 926 C ALA A 69 7.222 2.216 -3.808 1.00 0.00 C ATOM 927 O ALA A 69 6.057 2.608 -3.741 1.00 0.00 O ATOM 928 CB ALA A 69 8.310 0.760 -5.523 1.00 0.00 C ATOM 0 H ALA A 69 5.483 0.502 -4.486 1.00 0.00 H new ATOM 0 HA ALA A 69 8.169 0.348 -3.425 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.210 1.368 -5.430 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.588 -0.265 -5.767 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.680 1.163 -6.316 1.00 0.00 H new ATOM 934 N VAL A 70 8.266 2.994 -3.546 1.00 0.00 N ATOM 935 CA VAL A 70 8.109 4.389 -3.155 1.00 0.00 C ATOM 936 C VAL A 70 9.291 5.228 -3.643 1.00 0.00 C ATOM 937 O VAL A 70 10.393 5.141 -3.104 1.00 0.00 O ATOM 938 CB VAL A 70 7.969 4.529 -1.624 1.00 0.00 C ATOM 939 CG1 VAL A 70 9.213 4.011 -0.919 1.00 0.00 C ATOM 940 CG2 VAL A 70 7.687 5.974 -1.238 1.00 0.00 C ATOM 0 H VAL A 70 9.235 2.680 -3.598 1.00 0.00 H new ATOM 0 HA VAL A 70 7.196 4.757 -3.623 1.00 0.00 H new ATOM 0 HB VAL A 70 7.122 3.923 -1.303 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.092 4.120 0.159 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.358 2.959 -1.164 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.081 4.583 -1.246 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.592 6.049 -0.155 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.507 6.607 -1.575 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.759 6.301 -1.707 1.00 0.00 H new ATOM 950 N ASN A 71 9.046 6.032 -4.675 1.00 0.00 N ATOM 951 CA ASN A 71 10.074 6.892 -5.262 1.00 0.00 C ATOM 952 C ASN A 71 11.384 6.138 -5.484 1.00 0.00 C ATOM 953 O ASN A 71 12.467 6.670 -5.237 1.00 0.00 O ATOM 954 CB ASN A 71 10.318 8.123 -4.389 1.00 0.00 C ATOM 955 CG ASN A 71 10.917 7.770 -3.047 1.00 0.00 C ATOM 956 OD1 ASN A 71 10.059 7.592 -2.054 1.00 0.00 O flip ATOM 957 ND2 ASN A 71 12.134 7.660 -2.904 1.00 0.00 N flip ATOM 0 H ASN A 71 8.135 6.107 -5.127 1.00 0.00 H new ATOM 0 HA ASN A 71 9.704 7.217 -6.235 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.984 8.809 -4.912 1.00 0.00 H new ATOM 0 HB3 ASN A 71 9.376 8.649 -4.236 1.00 0.00 H new ATOM 0 HD21 ASN A 71 12.756 7.807 -3.699 1.00 0.00 H new ATOM 0 HD22 ASN A 71 12.521 7.422 -1.991 1.00 0.00 H new ATOM 964 N GLY A 72 11.282 4.900 -5.963 1.00 0.00 N ATOM 965 CA GLY A 72 12.471 4.107 -6.220 1.00 0.00 C ATOM 966 C GLY A 72 12.716 3.038 -5.171 1.00 0.00 C ATOM 967 O GLY A 72 13.423 2.064 -5.428 1.00 0.00 O ATOM 0 H GLY A 72 10.400 4.434 -6.177 1.00 0.00 H new ATOM 0 HA2 GLY A 72 12.379 3.633 -7.197 1.00 0.00 H new ATOM 0 HA3 GLY A 72 13.337 4.767 -6.266 1.00 0.00 H new ATOM 971 N GLU A 73 12.136 3.215 -3.988 1.00 0.00 N ATOM 972 CA GLU A 73 12.307 2.250 -2.908 1.00 0.00 C ATOM 973 C GLU A 73 11.393 1.046 -3.109 1.00 0.00 C ATOM 974 O GLU A 73 10.195 1.108 -2.835 1.00 0.00 O ATOM 975 CB GLU A 73 12.026 2.907 -1.554 1.00 0.00 C ATOM 976 CG GLU A 73 13.271 3.098 -0.703 1.00 0.00 C ATOM 977 CD GLU A 73 13.829 1.788 -0.183 1.00 0.00 C ATOM 978 OE1 GLU A 73 13.498 0.731 -0.760 1.00 0.00 O ATOM 979 OE2 GLU A 73 14.595 1.818 0.804 1.00 0.00 O ATOM 0 H GLU A 73 11.546 4.014 -3.754 1.00 0.00 H new ATOM 0 HA GLU A 73 13.341 1.904 -2.922 1.00 0.00 H new ATOM 0 HB2 GLU A 73 11.557 3.877 -1.720 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.310 2.296 -1.004 1.00 0.00 H new ATOM 0 HG2 GLU A 73 14.035 3.605 -1.292 1.00 0.00 H new ATOM 0 HG3 GLU A 73 13.034 3.748 0.140 1.00 0.00 H new ATOM 986 N SER A 74 11.970 -0.050 -3.592 1.00 0.00 N ATOM 987 CA SER A 74 11.211 -1.270 -3.833 1.00 0.00 C ATOM 988 C SER A 74 10.775 -1.909 -2.519 1.00 0.00 C ATOM 989 O SER A 74 11.603 -2.380 -1.739 1.00 0.00 O ATOM 990 CB SER A 74 12.045 -2.263 -4.643 1.00 0.00 C ATOM 991 OG SER A 74 13.233 -2.614 -3.956 1.00 0.00 O ATOM 0 H SER A 74 12.961 -0.117 -3.824 1.00 0.00 H new ATOM 0 HA SER A 74 10.319 -1.006 -4.401 1.00 0.00 H new ATOM 0 HB2 SER A 74 11.457 -3.160 -4.840 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.296 -1.827 -5.610 1.00 0.00 H new ATOM 0 HG SER A 74 13.046 -2.691 -2.997 1.00 0.00 H new ATOM 997 N LEU A 75 9.469 -1.918 -2.282 1.00 0.00 N ATOM 998 CA LEU A 75 8.914 -2.495 -1.063 1.00 0.00 C ATOM 999 C LEU A 75 8.922 -4.021 -1.130 1.00 0.00 C ATOM 1000 O LEU A 75 8.959 -4.697 -0.101 1.00 0.00 O ATOM 1001 CB LEU A 75 7.485 -1.991 -0.850 1.00 0.00 C ATOM 1002 CG LEU A 75 7.367 -0.554 -0.337 1.00 0.00 C ATOM 1003 CD1 LEU A 75 5.908 -0.187 -0.126 1.00 0.00 C ATOM 1004 CD2 LEU A 75 8.155 -0.379 0.952 1.00 0.00 C ATOM 0 H LEU A 75 8.773 -1.531 -2.919 1.00 0.00 H new ATOM 0 HA LEU A 75 9.536 -2.184 -0.223 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.946 -2.067 -1.794 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.985 -2.654 -0.143 1.00 0.00 H new ATOM 0 HG LEU A 75 7.787 0.116 -1.087 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.840 0.838 0.239 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.371 -0.272 -1.071 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.465 -0.863 0.605 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.059 0.649 1.301 1.00 0.00 H new ATOM 0 HD22 LEU A 75 7.766 -1.058 1.711 1.00 0.00 H new ATOM 0 HD23 LEU A 75 9.206 -0.603 0.769 1.00 0.00 H new ATOM 1016 N LEU A 76 8.882 -4.559 -2.348 1.00 0.00 N ATOM 1017 CA LEU A 76 8.877 -6.007 -2.556 1.00 0.00 C ATOM 1018 C LEU A 76 9.932 -6.699 -1.695 1.00 0.00 C ATOM 1019 O LEU A 76 9.674 -7.749 -1.107 1.00 0.00 O ATOM 1020 CB LEU A 76 9.116 -6.327 -4.034 1.00 0.00 C ATOM 1021 CG LEU A 76 7.869 -6.745 -4.814 1.00 0.00 C ATOM 1022 CD1 LEU A 76 8.106 -6.615 -6.312 1.00 0.00 C ATOM 1023 CD2 LEU A 76 7.469 -8.168 -4.456 1.00 0.00 C ATOM 0 H LEU A 76 8.852 -4.012 -3.209 1.00 0.00 H new ATOM 0 HA LEU A 76 7.899 -6.384 -2.257 1.00 0.00 H new ATOM 0 HB2 LEU A 76 9.550 -5.450 -4.515 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.854 -7.126 -4.103 1.00 0.00 H new ATOM 0 HG LEU A 76 7.051 -6.079 -4.539 1.00 0.00 H new ATOM 0 HD11 LEU A 76 7.207 -6.917 -6.850 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.343 -5.579 -6.554 1.00 0.00 H new ATOM 0 HD13 LEU A 76 8.937 -7.256 -6.606 1.00 0.00 H new ATOM 0 HD21 LEU A 76 6.580 -8.449 -5.020 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.285 -8.848 -4.702 1.00 0.00 H new ATOM 0 HD23 LEU A 76 7.256 -8.228 -3.389 1.00 0.00 H new ATOM 1035 N GLY A 77 11.119 -6.106 -1.625 1.00 0.00 N ATOM 1036 CA GLY A 77 12.189 -6.685 -0.832 1.00 0.00 C ATOM 1037 C GLY A 77 12.212 -6.151 0.587 1.00 0.00 C ATOM 1038 O GLY A 77 13.275 -5.828 1.118 1.00 0.00 O ATOM 0 H GLY A 77 11.359 -5.237 -2.102 1.00 0.00 H new ATOM 0 HA2 GLY A 77 12.074 -7.769 -0.808 1.00 0.00 H new ATOM 0 HA3 GLY A 77 13.146 -6.477 -1.311 1.00 0.00 H new ATOM 1042 N LYS A 78 11.037 -6.055 1.200 1.00 0.00 N ATOM 1043 CA LYS A 78 10.926 -5.553 2.564 1.00 0.00 C ATOM 1044 C LYS A 78 9.740 -6.164 3.284 1.00 0.00 C ATOM 1045 O LYS A 78 8.689 -6.404 2.688 1.00 0.00 O ATOM 1046 CB LYS A 78 10.777 -4.036 2.556 1.00 0.00 C ATOM 1047 CG LYS A 78 12.090 -3.306 2.360 1.00 0.00 C ATOM 1048 CD LYS A 78 11.959 -1.823 2.635 1.00 0.00 C ATOM 1049 CE LYS A 78 10.899 -1.190 1.757 1.00 0.00 C ATOM 1050 NZ LYS A 78 11.469 -0.678 0.480 1.00 0.00 N ATOM 0 H LYS A 78 10.149 -6.318 0.774 1.00 0.00 H new ATOM 0 HA LYS A 78 11.837 -5.834 3.092 1.00 0.00 H new ATOM 0 HB2 LYS A 78 10.088 -3.750 1.761 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.329 -3.717 3.497 1.00 0.00 H new ATOM 0 HG2 LYS A 78 12.844 -3.732 3.021 1.00 0.00 H new ATOM 0 HG3 LYS A 78 12.440 -3.456 1.339 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.706 -1.667 3.684 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.917 -1.333 2.462 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.122 -1.923 1.540 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.423 -0.371 2.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.744 -0.135 -0.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.282 -0.063 0.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.779 -1.478 -0.107 1.00 0.00 H new ATOM 1064 N ALA A 79 9.911 -6.390 4.574 1.00 0.00 N ATOM 1065 CA ALA A 79 8.852 -6.944 5.392 1.00 0.00 C ATOM 1066 C ALA A 79 7.854 -5.850 5.729 1.00 0.00 C ATOM 1067 O ALA A 79 7.918 -4.754 5.173 1.00 0.00 O ATOM 1068 CB ALA A 79 9.429 -7.557 6.656 1.00 0.00 C ATOM 0 H ALA A 79 10.777 -6.197 5.077 1.00 0.00 H new ATOM 0 HA ALA A 79 8.340 -7.732 4.840 1.00 0.00 H new ATOM 0 HB1 ALA A 79 8.622 -7.970 7.261 1.00 0.00 H new ATOM 0 HB2 ALA A 79 10.126 -8.352 6.390 1.00 0.00 H new ATOM 0 HB3 ALA A 79 9.954 -6.790 7.225 1.00 0.00 H new ATOM 1074 N ASN A 80 6.939 -6.137 6.638 1.00 0.00 N ATOM 1075 CA ASN A 80 5.946 -5.151 7.031 1.00 0.00 C ATOM 1076 C ASN A 80 6.618 -3.925 7.643 1.00 0.00 C ATOM 1077 O ASN A 80 6.288 -2.792 7.305 1.00 0.00 O ATOM 1078 CB ASN A 80 4.956 -5.758 8.027 1.00 0.00 C ATOM 1079 CG ASN A 80 5.646 -6.520 9.139 1.00 0.00 C ATOM 1080 OD1 ASN A 80 5.822 -7.822 8.943 1.00 0.00 O flip ATOM 1081 ND2 ASN A 80 6.019 -5.948 10.163 1.00 0.00 N flip ATOM 0 H ASN A 80 6.862 -7.036 7.114 1.00 0.00 H new ATOM 0 HA ASN A 80 5.402 -4.841 6.139 1.00 0.00 H new ATOM 0 HB2 ASN A 80 4.347 -4.964 8.459 1.00 0.00 H new ATOM 0 HB3 ASN A 80 4.278 -6.428 7.498 1.00 0.00 H new ATOM 0 HD21 ASN A 80 5.864 -4.946 10.273 1.00 0.00 H new ATOM 0 HD22 ASN A 80 6.483 -6.476 10.902 1.00 0.00 H new ATOM 1088 N GLN A 81 7.552 -4.168 8.557 1.00 0.00 N ATOM 1089 CA GLN A 81 8.264 -3.094 9.247 1.00 0.00 C ATOM 1090 C GLN A 81 9.216 -2.316 8.334 1.00 0.00 C ATOM 1091 O GLN A 81 9.349 -1.101 8.477 1.00 0.00 O ATOM 1092 CB GLN A 81 9.043 -3.662 10.434 1.00 0.00 C ATOM 1093 CG GLN A 81 9.896 -4.871 10.079 1.00 0.00 C ATOM 1094 CD GLN A 81 11.362 -4.667 10.411 1.00 0.00 C ATOM 1095 OE1 GLN A 81 11.889 -3.496 10.066 1.00 0.00 O flip ATOM 1096 NE2 GLN A 81 12.014 -5.549 10.967 1.00 0.00 N flip ATOM 0 H GLN A 81 7.836 -5.106 8.840 1.00 0.00 H new ATOM 0 HA GLN A 81 7.506 -2.390 9.591 1.00 0.00 H new ATOM 0 HB2 GLN A 81 9.685 -2.882 10.843 1.00 0.00 H new ATOM 0 HB3 GLN A 81 8.340 -3.941 11.219 1.00 0.00 H new ATOM 0 HG2 GLN A 81 9.524 -5.744 10.615 1.00 0.00 H new ATOM 0 HG3 GLN A 81 9.794 -5.083 9.015 1.00 0.00 H new ATOM 0 HE21 GLN A 81 11.569 -6.433 11.214 1.00 0.00 H new ATOM 0 HE22 GLN A 81 13.000 -5.397 11.181 1.00 0.00 H new ATOM 1105 N GLU A 82 9.891 -3.001 7.415 1.00 0.00 N ATOM 1106 CA GLU A 82 10.832 -2.332 6.525 1.00 0.00 C ATOM 1107 C GLU A 82 10.100 -1.487 5.493 1.00 0.00 C ATOM 1108 O GLU A 82 10.515 -0.370 5.184 1.00 0.00 O ATOM 1109 CB GLU A 82 11.726 -3.357 5.827 1.00 0.00 C ATOM 1110 CG GLU A 82 12.618 -4.134 6.783 1.00 0.00 C ATOM 1111 CD GLU A 82 14.084 -4.071 6.398 1.00 0.00 C ATOM 1112 OE1 GLU A 82 14.713 -3.018 6.627 1.00 0.00 O ATOM 1113 OE2 GLU A 82 14.600 -5.076 5.867 1.00 0.00 O ATOM 0 H GLU A 82 9.805 -4.007 7.269 1.00 0.00 H new ATOM 0 HA GLU A 82 11.455 -1.672 7.128 1.00 0.00 H new ATOM 0 HB2 GLU A 82 11.100 -4.058 5.276 1.00 0.00 H new ATOM 0 HB3 GLU A 82 12.350 -2.844 5.095 1.00 0.00 H new ATOM 0 HG2 GLU A 82 12.494 -3.739 7.791 1.00 0.00 H new ATOM 0 HG3 GLU A 82 12.297 -5.175 6.807 1.00 0.00 H new ATOM 1120 N ALA A 83 9.008 -2.018 4.967 1.00 0.00 N ATOM 1121 CA ALA A 83 8.222 -1.300 3.983 1.00 0.00 C ATOM 1122 C ALA A 83 7.517 -0.124 4.638 1.00 0.00 C ATOM 1123 O ALA A 83 7.322 0.924 4.022 1.00 0.00 O ATOM 1124 CB ALA A 83 7.226 -2.234 3.320 1.00 0.00 C ATOM 0 H ALA A 83 8.648 -2.942 5.206 1.00 0.00 H new ATOM 0 HA ALA A 83 8.886 -0.913 3.210 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.643 -1.681 2.584 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.761 -3.044 2.825 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.558 -2.648 4.075 1.00 0.00 H new ATOM 1130 N MET A 84 7.147 -0.308 5.901 1.00 0.00 N ATOM 1131 CA MET A 84 6.470 0.740 6.654 1.00 0.00 C ATOM 1132 C MET A 84 7.454 1.827 7.063 1.00 0.00 C ATOM 1133 O MET A 84 7.110 3.007 7.104 1.00 0.00 O ATOM 1134 CB MET A 84 5.780 0.169 7.889 1.00 0.00 C ATOM 1135 CG MET A 84 4.272 0.118 7.740 1.00 0.00 C ATOM 1136 SD MET A 84 3.471 -0.724 9.112 1.00 0.00 S ATOM 1137 CE MET A 84 4.289 -2.306 9.009 1.00 0.00 C ATOM 0 H MET A 84 7.304 -1.170 6.423 1.00 0.00 H new ATOM 0 HA MET A 84 5.710 1.178 6.006 1.00 0.00 H new ATOM 0 HB2 MET A 84 6.157 -0.836 8.080 1.00 0.00 H new ATOM 0 HB3 MET A 84 6.036 0.776 8.757 1.00 0.00 H new ATOM 0 HG2 MET A 84 3.883 1.134 7.665 1.00 0.00 H new ATOM 0 HG3 MET A 84 4.019 -0.390 6.809 1.00 0.00 H new ATOM 0 HE1 MET A 84 3.761 -3.030 9.630 1.00 0.00 H new ATOM 0 HE2 MET A 84 4.291 -2.648 7.974 1.00 0.00 H new ATOM 0 HE3 MET A 84 5.316 -2.208 9.360 1.00 0.00 H new ATOM 1147 N GLU A 85 8.684 1.418 7.351 1.00 0.00 N ATOM 1148 CA GLU A 85 9.723 2.359 7.742 1.00 0.00 C ATOM 1149 C GLU A 85 10.232 3.090 6.510 1.00 0.00 C ATOM 1150 O GLU A 85 10.515 4.284 6.554 1.00 0.00 O ATOM 1151 CB GLU A 85 10.868 1.626 8.463 1.00 0.00 C ATOM 1152 CG GLU A 85 12.023 1.211 7.560 1.00 0.00 C ATOM 1153 CD GLU A 85 13.136 0.517 8.320 1.00 0.00 C ATOM 1154 OE1 GLU A 85 12.934 -0.639 8.746 1.00 0.00 O ATOM 1155 OE2 GLU A 85 14.211 1.131 8.490 1.00 0.00 O ATOM 0 H GLU A 85 8.984 0.444 7.321 1.00 0.00 H new ATOM 0 HA GLU A 85 9.308 3.089 8.436 1.00 0.00 H new ATOM 0 HB2 GLU A 85 11.255 2.271 9.252 1.00 0.00 H new ATOM 0 HB3 GLU A 85 10.465 0.737 8.947 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.650 0.546 6.781 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.424 2.093 7.060 1.00 0.00 H new ATOM 1162 N THR A 86 10.316 2.360 5.404 1.00 0.00 N ATOM 1163 CA THR A 86 10.753 2.931 4.143 1.00 0.00 C ATOM 1164 C THR A 86 9.768 4.010 3.716 1.00 0.00 C ATOM 1165 O THR A 86 10.157 5.057 3.201 1.00 0.00 O ATOM 1166 CB THR A 86 10.853 1.832 3.081 1.00 0.00 C ATOM 1167 OG1 THR A 86 12.117 1.198 3.138 1.00 0.00 O ATOM 1168 CG2 THR A 86 10.649 2.319 1.661 1.00 0.00 C ATOM 0 H THR A 86 10.085 1.367 5.359 1.00 0.00 H new ATOM 0 HA THR A 86 11.739 3.380 4.261 1.00 0.00 H new ATOM 0 HB THR A 86 10.044 1.142 3.319 1.00 0.00 H new ATOM 0 HG1 THR A 86 12.576 1.305 2.279 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.736 1.479 0.972 1.00 0.00 H new ATOM 0 HG22 THR A 86 9.658 2.764 1.568 1.00 0.00 H new ATOM 0 HG23 THR A 86 11.406 3.065 1.420 1.00 0.00 H new ATOM 1176 N LEU A 87 8.488 3.750 3.966 1.00 0.00 N ATOM 1177 CA LEU A 87 7.443 4.705 3.643 1.00 0.00 C ATOM 1178 C LEU A 87 7.596 5.906 4.555 1.00 0.00 C ATOM 1179 O LEU A 87 7.760 7.034 4.097 1.00 0.00 O ATOM 1180 CB LEU A 87 6.063 4.068 3.823 1.00 0.00 C ATOM 1181 CG LEU A 87 5.624 3.142 2.687 1.00 0.00 C ATOM 1182 CD1 LEU A 87 4.439 2.294 3.118 1.00 0.00 C ATOM 1183 CD2 LEU A 87 5.281 3.948 1.444 1.00 0.00 C ATOM 0 H LEU A 87 8.154 2.885 4.391 1.00 0.00 H new ATOM 0 HA LEU A 87 7.533 5.016 2.602 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.060 3.502 4.755 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.324 4.862 3.930 1.00 0.00 H new ATOM 0 HG LEU A 87 6.453 2.476 2.446 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.141 1.642 2.297 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.719 1.688 3.980 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.606 2.943 3.387 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.971 3.273 0.647 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.469 4.639 1.671 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.157 4.511 1.122 1.00 0.00 H new ATOM 1195 N ARG A 88 7.589 5.639 5.858 1.00 0.00 N ATOM 1196 CA ARG A 88 7.774 6.677 6.857 1.00 0.00 C ATOM 1197 C ARG A 88 9.059 7.440 6.560 1.00 0.00 C ATOM 1198 O ARG A 88 9.160 8.643 6.806 1.00 0.00 O ATOM 1199 CB ARG A 88 7.835 6.067 8.260 1.00 0.00 C ATOM 1200 CG ARG A 88 6.537 5.406 8.694 1.00 0.00 C ATOM 1201 CD ARG A 88 6.770 4.403 9.812 1.00 0.00 C ATOM 1202 NE ARG A 88 5.577 3.605 10.089 1.00 0.00 N ATOM 1203 CZ ARG A 88 4.544 4.042 10.808 1.00 0.00 C ATOM 1204 NH1 ARG A 88 4.554 5.265 11.323 1.00 0.00 N ATOM 1205 NH2 ARG A 88 3.499 3.251 11.012 1.00 0.00 N ATOM 0 H ARG A 88 7.456 4.705 6.245 1.00 0.00 H new ATOM 0 HA ARG A 88 6.928 7.363 6.819 1.00 0.00 H new ATOM 0 HB2 ARG A 88 8.637 5.329 8.292 1.00 0.00 H new ATOM 0 HB3 ARG A 88 8.092 6.848 8.976 1.00 0.00 H new ATOM 0 HG2 ARG A 88 5.833 6.168 9.028 1.00 0.00 H new ATOM 0 HG3 ARG A 88 6.081 4.903 7.841 1.00 0.00 H new ATOM 0 HD2 ARG A 88 7.593 3.742 9.540 1.00 0.00 H new ATOM 0 HD3 ARG A 88 7.071 4.932 10.717 1.00 0.00 H new ATOM 0 HE ARG A 88 5.533 2.659 9.710 1.00 0.00 H new ATOM 0 HH11 ARG A 88 5.356 5.877 11.169 1.00 0.00 H new ATOM 0 HH12 ARG A 88 3.760 5.593 11.873 1.00 0.00 H new ATOM 0 HH21 ARG A 88 3.487 2.310 10.619 1.00 0.00 H new ATOM 0 HH22 ARG A 88 2.707 3.584 11.562 1.00 0.00 H new ATOM 1219 N ARG A 89 10.030 6.722 5.999 1.00 0.00 N ATOM 1220 CA ARG A 89 11.307 7.315 5.633 1.00 0.00 C ATOM 1221 C ARG A 89 11.107 8.253 4.456 1.00 0.00 C ATOM 1222 O ARG A 89 11.542 9.405 4.478 1.00 0.00 O ATOM 1223 CB ARG A 89 12.318 6.226 5.270 1.00 0.00 C ATOM 1224 CG ARG A 89 13.368 5.983 6.340 1.00 0.00 C ATOM 1225 CD ARG A 89 12.750 5.851 7.725 1.00 0.00 C ATOM 1226 NE ARG A 89 13.166 6.934 8.613 1.00 0.00 N ATOM 1227 CZ ARG A 89 12.524 7.264 9.731 1.00 0.00 C ATOM 1228 NH1 ARG A 89 11.437 6.598 10.103 1.00 0.00 N ATOM 1229 NH2 ARG A 89 12.970 8.263 10.482 1.00 0.00 N ATOM 0 H ARG A 89 9.953 5.727 5.789 1.00 0.00 H new ATOM 0 HA ARG A 89 11.696 7.875 6.483 1.00 0.00 H new ATOM 0 HB2 ARG A 89 11.783 5.295 5.081 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.817 6.501 4.341 1.00 0.00 H new ATOM 0 HG2 ARG A 89 13.924 5.076 6.103 1.00 0.00 H new ATOM 0 HG3 ARG A 89 14.084 6.805 6.339 1.00 0.00 H new ATOM 0 HD2 ARG A 89 11.663 5.849 7.639 1.00 0.00 H new ATOM 0 HD3 ARG A 89 13.037 4.894 8.161 1.00 0.00 H new ATOM 0 HE ARG A 89 13.997 7.469 8.361 1.00 0.00 H new ATOM 0 HH11 ARG A 89 11.090 5.828 9.531 1.00 0.00 H new ATOM 0 HH12 ARG A 89 10.950 6.856 10.961 1.00 0.00 H new ATOM 0 HH21 ARG A 89 13.805 8.778 10.202 1.00 0.00 H new ATOM 0 HH22 ARG A 89 12.478 8.516 11.339 1.00 0.00 H new ATOM 1243 N SER A 90 10.423 7.752 3.435 1.00 0.00 N ATOM 1244 CA SER A 90 10.134 8.543 2.253 1.00 0.00 C ATOM 1245 C SER A 90 9.255 9.728 2.629 1.00 0.00 C ATOM 1246 O SER A 90 9.330 10.795 2.022 1.00 0.00 O ATOM 1247 CB SER A 90 9.441 7.687 1.193 1.00 0.00 C ATOM 1248 OG SER A 90 10.132 6.465 0.992 1.00 0.00 O ATOM 0 H SER A 90 10.059 6.800 3.405 1.00 0.00 H new ATOM 0 HA SER A 90 11.072 8.912 1.838 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.415 7.482 1.500 1.00 0.00 H new ATOM 0 HB3 SER A 90 9.389 8.238 0.254 1.00 0.00 H new ATOM 0 HG SER A 90 9.948 5.858 1.739 1.00 0.00 H new ATOM 1254 N MET A 91 8.432 9.523 3.652 1.00 0.00 N ATOM 1255 CA MET A 91 7.539 10.558 4.146 1.00 0.00 C ATOM 1256 C MET A 91 8.275 11.488 5.107 1.00 0.00 C ATOM 1257 O MET A 91 7.788 12.570 5.432 1.00 0.00 O ATOM 1258 CB MET A 91 6.344 9.920 4.860 1.00 0.00 C ATOM 1259 CG MET A 91 5.308 9.342 3.912 1.00 0.00 C ATOM 1260 SD MET A 91 4.950 7.606 4.223 1.00 0.00 S ATOM 1261 CE MET A 91 5.227 6.928 2.588 1.00 0.00 C ATOM 0 H MET A 91 8.367 8.639 4.158 1.00 0.00 H new ATOM 0 HA MET A 91 7.184 11.142 3.297 1.00 0.00 H new ATOM 0 HB2 MET A 91 6.704 9.129 5.518 1.00 0.00 H new ATOM 0 HB3 MET A 91 5.868 10.668 5.493 1.00 0.00 H new ATOM 0 HG2 MET A 91 4.386 9.917 3.998 1.00 0.00 H new ATOM 0 HG3 MET A 91 5.660 9.455 2.887 1.00 0.00 H new ATOM 0 HE1 MET A 91 4.738 5.957 2.509 1.00 0.00 H new ATOM 0 HE2 MET A 91 4.814 7.604 1.839 1.00 0.00 H new ATOM 0 HE3 MET A 91 6.297 6.810 2.419 1.00 0.00 H new ATOM 1271 N SER A 92 9.442 11.048 5.577 1.00 0.00 N ATOM 1272 CA SER A 92 10.230 11.831 6.520 1.00 0.00 C ATOM 1273 C SER A 92 11.208 12.774 5.823 1.00 0.00 C ATOM 1274 O SER A 92 11.271 13.958 6.156 1.00 0.00 O ATOM 1275 CB SER A 92 10.994 10.902 7.464 1.00 0.00 C ATOM 1276 OG SER A 92 11.673 11.638 8.466 1.00 0.00 O ATOM 0 H SER A 92 9.860 10.154 5.319 1.00 0.00 H new ATOM 0 HA SER A 92 9.531 12.446 7.087 1.00 0.00 H new ATOM 0 HB2 SER A 92 10.301 10.202 7.930 1.00 0.00 H new ATOM 0 HB3 SER A 92 11.711 10.310 6.895 1.00 0.00 H new ATOM 0 HG SER A 92 12.152 11.021 9.057 1.00 0.00 H new ATOM 1282 N THR A 93 11.991 12.251 4.882 1.00 0.00 N ATOM 1283 CA THR A 93 12.982 13.079 4.189 1.00 0.00 C ATOM 1284 C THR A 93 13.758 12.303 3.122 1.00 0.00 C ATOM 1285 O THR A 93 14.960 12.076 3.267 1.00 0.00 O ATOM 1286 CB THR A 93 13.972 13.621 5.211 1.00 0.00 C ATOM 1287 OG1 THR A 93 14.944 14.443 4.589 1.00 0.00 O ATOM 1288 CG2 THR A 93 14.696 12.512 5.941 1.00 0.00 C ATOM 0 H THR A 93 11.963 11.276 4.584 1.00 0.00 H new ATOM 0 HA THR A 93 12.442 13.882 3.687 1.00 0.00 H new ATOM 0 HB THR A 93 13.387 14.200 5.925 1.00 0.00 H new ATOM 0 HG1 THR A 93 15.454 13.914 3.941 1.00 0.00 H new ATOM 0 HG21 THR A 93 15.392 12.944 6.660 1.00 0.00 H new ATOM 0 HG22 THR A 93 13.972 11.889 6.466 1.00 0.00 H new ATOM 0 HG23 THR A 93 15.246 11.903 5.224 1.00 0.00 H new ATOM 1296 N GLU A 94 13.084 11.923 2.048 1.00 0.00 N ATOM 1297 CA GLU A 94 13.722 11.198 0.954 1.00 0.00 C ATOM 1298 C GLU A 94 12.786 11.140 -0.232 1.00 0.00 C ATOM 1299 O GLU A 94 13.089 11.646 -1.313 1.00 0.00 O ATOM 1300 CB GLU A 94 14.100 9.778 1.385 1.00 0.00 C ATOM 1301 CG GLU A 94 15.340 9.714 2.256 1.00 0.00 C ATOM 1302 CD GLU A 94 16.110 8.418 2.085 1.00 0.00 C ATOM 1303 OE1 GLU A 94 15.474 7.388 1.780 1.00 0.00 O ATOM 1304 OE2 GLU A 94 17.346 8.436 2.254 1.00 0.00 O ATOM 0 H GLU A 94 12.090 12.105 1.908 1.00 0.00 H new ATOM 0 HA GLU A 94 14.634 11.726 0.676 1.00 0.00 H new ATOM 0 HB2 GLU A 94 13.263 9.338 1.927 1.00 0.00 H new ATOM 0 HB3 GLU A 94 14.260 9.168 0.496 1.00 0.00 H new ATOM 0 HG2 GLU A 94 15.992 10.554 2.015 1.00 0.00 H new ATOM 0 HG3 GLU A 94 15.051 9.825 3.301 1.00 0.00 H new ATOM 1311 N GLY A 95 11.625 10.552 -0.006 1.00 0.00 N ATOM 1312 CA GLY A 95 10.631 10.477 -1.049 1.00 0.00 C ATOM 1313 C GLY A 95 10.097 11.853 -1.354 1.00 0.00 C ATOM 1314 O GLY A 95 9.646 12.131 -2.466 1.00 0.00 O ATOM 0 H GLY A 95 11.354 10.126 0.880 1.00 0.00 H new ATOM 0 HA2 GLY A 95 11.067 10.040 -1.947 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.816 9.822 -0.740 1.00 0.00 H new ATOM 1318 N ASN A 96 10.170 12.723 -0.350 1.00 0.00 N ATOM 1319 CA ASN A 96 9.718 14.091 -0.486 1.00 0.00 C ATOM 1320 C ASN A 96 10.899 15.015 -0.757 1.00 0.00 C ATOM 1321 O ASN A 96 11.280 15.218 -1.908 1.00 0.00 O ATOM 1322 CB ASN A 96 8.970 14.535 0.771 1.00 0.00 C ATOM 1323 CG ASN A 96 8.366 15.913 0.607 1.00 0.00 C ATOM 1324 OD1 ASN A 96 7.300 16.064 0.022 1.00 0.00 O ATOM 1325 ND2 ASN A 96 9.052 16.932 1.110 1.00 0.00 N ATOM 0 H ASN A 96 10.543 12.495 0.572 1.00 0.00 H new ATOM 0 HA ASN A 96 9.033 14.147 -1.332 1.00 0.00 H new ATOM 0 HB2 ASN A 96 8.182 13.817 0.998 1.00 0.00 H new ATOM 0 HB3 ASN A 96 9.654 14.536 1.620 1.00 0.00 H new ATOM 0 HD21 ASN A 96 8.695 17.883 1.016 1.00 0.00 H new ATOM 0 HD22 ASN A 96 9.936 16.764 1.590 1.00 0.00 H new ATOM 1332 N LYS A 97 11.483 15.575 0.304 1.00 0.00 N ATOM 1333 CA LYS A 97 12.624 16.471 0.168 1.00 0.00 C ATOM 1334 C LYS A 97 12.256 17.751 -0.592 1.00 0.00 C ATOM 1335 O LYS A 97 13.036 18.704 -0.619 1.00 0.00 O ATOM 1336 CB LYS A 97 13.768 15.748 -0.540 1.00 0.00 C ATOM 1337 CG LYS A 97 14.699 15.017 0.403 1.00 0.00 C ATOM 1338 CD LYS A 97 15.316 13.819 -0.284 1.00 0.00 C ATOM 1339 CE LYS A 97 16.194 14.239 -1.450 1.00 0.00 C ATOM 1340 NZ LYS A 97 17.489 13.503 -1.466 1.00 0.00 N ATOM 0 H LYS A 97 11.181 15.421 1.266 1.00 0.00 H new ATOM 0 HA LYS A 97 12.941 16.764 1.169 1.00 0.00 H new ATOM 0 HB2 LYS A 97 13.351 15.035 -1.251 1.00 0.00 H new ATOM 0 HB3 LYS A 97 14.343 16.473 -1.116 1.00 0.00 H new ATOM 0 HG2 LYS A 97 15.484 15.692 0.744 1.00 0.00 H new ATOM 0 HG3 LYS A 97 14.150 14.694 1.287 1.00 0.00 H new ATOM 0 HD2 LYS A 97 15.909 13.252 0.434 1.00 0.00 H new ATOM 0 HD3 LYS A 97 14.527 13.156 -0.641 1.00 0.00 H new ATOM 0 HE2 LYS A 97 15.664 14.061 -2.386 1.00 0.00 H new ATOM 0 HE3 LYS A 97 16.386 15.310 -1.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 18.058 13.819 -2.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 18.007 13.693 -0.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 17.307 12.482 -1.548 1.00 0.00 H new ATOM 1354 N ARG A 98 11.077 17.770 -1.209 1.00 0.00 N ATOM 1355 CA ARG A 98 10.631 18.937 -1.966 1.00 0.00 C ATOM 1356 C ARG A 98 9.152 19.254 -1.738 1.00 0.00 C ATOM 1357 O ARG A 98 8.744 20.413 -1.810 1.00 0.00 O ATOM 1358 CB ARG A 98 10.893 18.730 -3.456 1.00 0.00 C ATOM 1359 CG ARG A 98 10.370 17.407 -3.980 1.00 0.00 C ATOM 1360 CD ARG A 98 11.502 16.436 -4.273 1.00 0.00 C ATOM 1361 NE ARG A 98 12.160 16.727 -5.545 1.00 0.00 N ATOM 1362 CZ ARG A 98 13.383 16.305 -5.860 1.00 0.00 C ATOM 1363 NH1 ARG A 98 14.081 15.570 -5.004 1.00 0.00 N ATOM 1364 NH2 ARG A 98 13.907 16.616 -7.038 1.00 0.00 N ATOM 0 H ARG A 98 10.415 16.994 -1.200 1.00 0.00 H new ATOM 0 HA ARG A 98 11.206 19.790 -1.604 1.00 0.00 H new ATOM 0 HB2 ARG A 98 10.430 19.543 -4.015 1.00 0.00 H new ATOM 0 HB3 ARG A 98 11.966 18.787 -3.640 1.00 0.00 H new ATOM 0 HG2 ARG A 98 9.692 16.967 -3.248 1.00 0.00 H new ATOM 0 HG3 ARG A 98 9.791 17.577 -4.888 1.00 0.00 H new ATOM 0 HD2 ARG A 98 12.235 16.481 -3.468 1.00 0.00 H new ATOM 0 HD3 ARG A 98 11.111 15.419 -4.292 1.00 0.00 H new ATOM 0 HE ARG A 98 11.653 17.286 -6.231 1.00 0.00 H new ATOM 0 HH11 ARG A 98 13.681 15.325 -4.098 1.00 0.00 H new ATOM 0 HH12 ARG A 98 15.017 15.250 -5.252 1.00 0.00 H new ATOM 0 HH21 ARG A 98 13.373 17.178 -7.701 1.00 0.00 H new ATOM 0 HH22 ARG A 98 14.844 16.293 -7.281 1.00 0.00 H new ATOM 1378 N GLY A 99 8.348 18.228 -1.470 1.00 0.00 N ATOM 1379 CA GLY A 99 6.927 18.444 -1.247 1.00 0.00 C ATOM 1380 C GLY A 99 6.053 17.426 -1.961 1.00 0.00 C ATOM 1381 O GLY A 99 4.849 17.630 -2.109 1.00 0.00 O ATOM 0 H GLY A 99 8.652 17.257 -1.403 1.00 0.00 H new ATOM 0 HA2 GLY A 99 6.722 18.404 -0.177 1.00 0.00 H new ATOM 0 HA3 GLY A 99 6.660 19.445 -1.585 1.00 0.00 H new ATOM 1385 N MET A 100 6.660 16.323 -2.396 1.00 0.00 N ATOM 1386 CA MET A 100 5.929 15.267 -3.086 1.00 0.00 C ATOM 1387 C MET A 100 6.751 13.981 -3.161 1.00 0.00 C ATOM 1388 O MET A 100 7.981 14.020 -3.180 1.00 0.00 O ATOM 1389 CB MET A 100 5.517 15.735 -4.490 1.00 0.00 C ATOM 1390 CG MET A 100 6.544 15.461 -5.582 1.00 0.00 C ATOM 1391 SD MET A 100 5.890 14.439 -6.914 1.00 0.00 S ATOM 1392 CE MET A 100 5.592 12.907 -6.039 1.00 0.00 C ATOM 0 H MET A 100 7.657 16.139 -2.282 1.00 0.00 H new ATOM 0 HA MET A 100 5.028 15.048 -2.514 1.00 0.00 H new ATOM 0 HB2 MET A 100 4.581 15.246 -4.760 1.00 0.00 H new ATOM 0 HB3 MET A 100 5.319 16.806 -4.457 1.00 0.00 H new ATOM 0 HG2 MET A 100 6.891 16.409 -5.994 1.00 0.00 H new ATOM 0 HG3 MET A 100 7.411 14.967 -5.143 1.00 0.00 H new ATOM 0 HE1 MET A 100 5.355 12.120 -6.754 1.00 0.00 H new ATOM 0 HE2 MET A 100 6.484 12.630 -5.477 1.00 0.00 H new ATOM 0 HE3 MET A 100 4.756 13.037 -5.352 1.00 0.00 H new ATOM 1402 N ILE A 101 6.063 12.842 -3.199 1.00 0.00 N ATOM 1403 CA ILE A 101 6.735 11.545 -3.268 1.00 0.00 C ATOM 1404 C ILE A 101 5.987 10.587 -4.194 1.00 0.00 C ATOM 1405 O ILE A 101 4.766 10.658 -4.321 1.00 0.00 O ATOM 1406 CB ILE A 101 6.897 10.914 -1.854 1.00 0.00 C ATOM 1407 CG1 ILE A 101 6.285 9.511 -1.777 1.00 0.00 C ATOM 1408 CG2 ILE A 101 6.281 11.809 -0.791 1.00 0.00 C ATOM 1409 CD1 ILE A 101 6.531 8.829 -0.449 1.00 0.00 C ATOM 0 H ILE A 101 5.044 12.790 -3.183 1.00 0.00 H new ATOM 0 HA ILE A 101 7.730 11.716 -3.679 1.00 0.00 H new ATOM 0 HB ILE A 101 7.967 10.821 -1.667 1.00 0.00 H new ATOM 0 HG12 ILE A 101 5.211 9.579 -1.950 1.00 0.00 H new ATOM 0 HG13 ILE A 101 6.698 8.896 -2.577 1.00 0.00 H new ATOM 0 HG21 ILE A 101 6.406 11.349 0.189 1.00 0.00 H new ATOM 0 HG22 ILE A 101 6.776 12.780 -0.801 1.00 0.00 H new ATOM 0 HG23 ILE A 101 5.219 11.941 -0.997 1.00 0.00 H new ATOM 0 HD11 ILE A 101 6.073 7.840 -0.458 1.00 0.00 H new ATOM 0 HD12 ILE A 101 7.604 8.731 -0.284 1.00 0.00 H new ATOM 0 HD13 ILE A 101 6.093 9.424 0.352 1.00 0.00 H new ATOM 1421 N GLN A 102 6.731 9.689 -4.831 1.00 0.00 N ATOM 1422 CA GLN A 102 6.141 8.713 -5.738 1.00 0.00 C ATOM 1423 C GLN A 102 5.896 7.399 -5.012 1.00 0.00 C ATOM 1424 O GLN A 102 6.703 6.978 -4.184 1.00 0.00 O ATOM 1425 CB GLN A 102 7.056 8.484 -6.944 1.00 0.00 C ATOM 1426 CG GLN A 102 6.347 7.853 -8.132 1.00 0.00 C ATOM 1427 CD GLN A 102 7.295 7.528 -9.270 1.00 0.00 C ATOM 1428 OE1 GLN A 102 7.580 6.245 -9.454 1.00 0.00 O flip ATOM 1429 NE2 GLN A 102 7.765 8.421 -9.975 1.00 0.00 N flip ATOM 0 H GLN A 102 7.744 9.617 -4.735 1.00 0.00 H new ATOM 0 HA GLN A 102 5.187 9.103 -6.092 1.00 0.00 H new ATOM 0 HB2 GLN A 102 7.484 9.438 -7.251 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.886 7.844 -6.644 1.00 0.00 H new ATOM 0 HG2 GLN A 102 5.846 6.940 -7.809 1.00 0.00 H new ATOM 0 HG3 GLN A 102 5.573 8.531 -8.491 1.00 0.00 H new ATOM 0 HE21 GLN A 102 7.518 9.395 -9.797 1.00 0.00 H new ATOM 0 HE22 GLN A 102 8.401 8.187 -10.737 1.00 0.00 H new ATOM 1438 N LEU A 103 4.778 6.754 -5.319 1.00 0.00 N ATOM 1439 CA LEU A 103 4.437 5.490 -4.683 1.00 0.00 C ATOM 1440 C LEU A 103 3.826 4.516 -5.681 1.00 0.00 C ATOM 1441 O LEU A 103 2.841 4.830 -6.350 1.00 0.00 O ATOM 1442 CB LEU A 103 3.467 5.727 -3.525 1.00 0.00 C ATOM 1443 CG LEU A 103 4.111 6.243 -2.235 1.00 0.00 C ATOM 1444 CD1 LEU A 103 3.292 7.380 -1.643 1.00 0.00 C ATOM 1445 CD2 LEU A 103 4.265 5.115 -1.226 1.00 0.00 C ATOM 0 H LEU A 103 4.095 7.084 -6.001 1.00 0.00 H new ATOM 0 HA LEU A 103 5.357 5.050 -4.298 1.00 0.00 H new ATOM 0 HB2 LEU A 103 2.710 6.442 -3.846 1.00 0.00 H new ATOM 0 HB3 LEU A 103 2.951 4.792 -3.307 1.00 0.00 H new ATOM 0 HG LEU A 103 5.102 6.626 -2.478 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.767 7.732 -0.727 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.235 8.199 -2.360 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.287 7.025 -1.417 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.724 5.501 -0.316 1.00 0.00 H new ATOM 0 HD22 LEU A 103 3.284 4.701 -0.990 1.00 0.00 H new ATOM 0 HD23 LEU A 103 4.897 4.333 -1.648 1.00 0.00 H new ATOM 1457 N ILE A 104 4.414 3.327 -5.767 1.00 0.00 N ATOM 1458 CA ILE A 104 3.922 2.298 -6.671 1.00 0.00 C ATOM 1459 C ILE A 104 3.055 1.302 -5.921 1.00 0.00 C ATOM 1460 O ILE A 104 3.337 0.956 -4.773 1.00 0.00 O ATOM 1461 CB ILE A 104 5.074 1.545 -7.363 1.00 0.00 C ATOM 1462 CG1 ILE A 104 5.957 2.524 -8.135 1.00 0.00 C ATOM 1463 CG2 ILE A 104 4.530 0.470 -8.296 1.00 0.00 C ATOM 1464 CD1 ILE A 104 5.190 3.405 -9.096 1.00 0.00 C ATOM 0 H ILE A 104 5.231 3.054 -5.221 1.00 0.00 H new ATOM 0 HA ILE A 104 3.330 2.801 -7.436 1.00 0.00 H new ATOM 0 HB ILE A 104 5.678 1.059 -6.597 1.00 0.00 H new ATOM 0 HG12 ILE A 104 6.492 3.155 -7.425 1.00 0.00 H new ATOM 0 HG13 ILE A 104 6.708 1.962 -8.691 1.00 0.00 H new ATOM 0 HG21 ILE A 104 5.360 -0.050 -8.775 1.00 0.00 H new ATOM 0 HG22 ILE A 104 3.937 -0.243 -7.723 1.00 0.00 H new ATOM 0 HG23 ILE A 104 3.904 0.933 -9.058 1.00 0.00 H new ATOM 0 HD11 ILE A 104 5.882 4.074 -9.608 1.00 0.00 H new ATOM 0 HD12 ILE A 104 4.677 2.783 -9.829 1.00 0.00 H new ATOM 0 HD13 ILE A 104 4.458 3.994 -8.544 1.00 0.00 H new ATOM 1476 N VAL A 105 1.997 0.849 -6.574 1.00 0.00 N ATOM 1477 CA VAL A 105 1.078 -0.104 -5.965 1.00 0.00 C ATOM 1478 C VAL A 105 0.598 -1.140 -6.973 1.00 0.00 C ATOM 1479 O VAL A 105 0.935 -1.077 -8.155 1.00 0.00 O ATOM 1480 CB VAL A 105 -0.145 0.607 -5.359 1.00 0.00 C ATOM 1481 CG1 VAL A 105 0.247 1.365 -4.100 1.00 0.00 C ATOM 1482 CG2 VAL A 105 -0.778 1.543 -6.378 1.00 0.00 C ATOM 0 H VAL A 105 1.752 1.124 -7.525 1.00 0.00 H new ATOM 0 HA VAL A 105 1.632 -0.607 -5.172 1.00 0.00 H new ATOM 0 HB VAL A 105 -0.882 -0.148 -5.086 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.631 1.861 -3.686 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.650 0.667 -3.366 1.00 0.00 H new ATOM 0 HG13 VAL A 105 1.003 2.111 -4.345 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.641 2.037 -5.932 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.049 2.293 -6.685 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -1.098 0.970 -7.249 1.00 0.00 H new ATOM 1492 N ALA A 106 -0.194 -2.093 -6.493 1.00 0.00 N ATOM 1493 CA ALA A 106 -0.733 -3.147 -7.343 1.00 0.00 C ATOM 1494 C ALA A 106 -2.136 -3.537 -6.897 1.00 0.00 C ATOM 1495 O ALA A 106 -2.409 -3.649 -5.702 1.00 0.00 O ATOM 1496 CB ALA A 106 0.186 -4.359 -7.327 1.00 0.00 C ATOM 0 H ALA A 106 -0.478 -2.156 -5.515 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.794 -2.768 -8.363 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -0.229 -5.139 -7.966 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.171 -4.073 -7.696 1.00 0.00 H new ATOM 0 HB3 ALA A 106 0.275 -4.735 -6.308 1.00 0.00 H new ATOM 1502 N ARG A 107 -3.028 -3.739 -7.863 1.00 0.00 N ATOM 1503 CA ARG A 107 -4.405 -4.115 -7.561 1.00 0.00 C ATOM 1504 C ARG A 107 -4.844 -5.308 -8.402 1.00 0.00 C ATOM 1505 O ARG A 107 -4.321 -5.539 -9.493 1.00 0.00 O ATOM 1506 CB ARG A 107 -5.345 -2.932 -7.801 1.00 0.00 C ATOM 1507 CG ARG A 107 -5.050 -2.164 -9.077 1.00 0.00 C ATOM 1508 CD ARG A 107 -5.994 -0.983 -9.246 1.00 0.00 C ATOM 1509 NE ARG A 107 -5.905 -0.047 -8.127 1.00 0.00 N ATOM 1510 CZ ARG A 107 -6.544 1.120 -8.085 1.00 0.00 C ATOM 1511 NH1 ARG A 107 -7.319 1.496 -9.095 1.00 0.00 N ATOM 1512 NH2 ARG A 107 -6.408 1.913 -7.032 1.00 0.00 N ATOM 0 H ARG A 107 -2.823 -3.649 -8.858 1.00 0.00 H new ATOM 0 HA ARG A 107 -4.452 -4.400 -6.510 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -6.371 -3.297 -7.837 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.279 -2.250 -6.954 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -4.020 -1.808 -9.059 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -5.142 -2.831 -9.934 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -5.760 -0.462 -10.174 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -7.018 -1.347 -9.334 1.00 0.00 H new ATOM 0 HE ARG A 107 -5.319 -0.303 -7.332 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -7.427 0.890 -9.908 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -7.807 2.391 -9.058 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -5.813 1.629 -6.253 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -6.898 2.807 -7.000 1.00 0.00 H new ATOM 1526 N ARG A 108 -5.805 -6.065 -7.883 1.00 0.00 N ATOM 1527 CA ARG A 108 -6.317 -7.240 -8.579 1.00 0.00 C ATOM 1528 C ARG A 108 -7.461 -6.866 -9.520 1.00 0.00 C ATOM 1529 O ARG A 108 -8.471 -6.308 -9.091 1.00 0.00 O ATOM 1530 CB ARG A 108 -6.800 -8.283 -7.565 1.00 0.00 C ATOM 1531 CG ARG A 108 -5.803 -9.401 -7.308 1.00 0.00 C ATOM 1532 CD ARG A 108 -4.432 -8.854 -6.941 1.00 0.00 C ATOM 1533 NE ARG A 108 -4.454 -8.136 -5.669 1.00 0.00 N ATOM 1534 CZ ARG A 108 -3.390 -7.547 -5.128 1.00 0.00 C ATOM 1535 NH1 ARG A 108 -2.217 -7.584 -5.746 1.00 0.00 N ATOM 1536 NH2 ARG A 108 -3.500 -6.919 -3.965 1.00 0.00 N ATOM 0 H ARG A 108 -6.246 -5.885 -6.981 1.00 0.00 H new ATOM 0 HA ARG A 108 -5.506 -7.661 -9.174 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -7.021 -7.783 -6.622 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -7.734 -8.717 -7.922 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -6.169 -10.038 -6.503 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -5.720 -10.027 -8.197 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -3.718 -9.675 -6.882 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -4.085 -8.186 -7.729 1.00 0.00 H new ATOM 0 HE ARG A 108 -5.339 -8.083 -5.165 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -2.127 -8.066 -6.641 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -1.405 -7.131 -5.327 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -4.400 -6.888 -3.485 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -2.685 -6.468 -3.550 1.00 0.00 H new ATOM 1550 N ILE A 109 -7.300 -7.186 -10.800 1.00 0.00 N ATOM 1551 CA ILE A 109 -8.327 -6.893 -11.794 1.00 0.00 C ATOM 1552 C ILE A 109 -9.605 -7.674 -11.495 1.00 0.00 C ATOM 1553 O ILE A 109 -9.560 -8.756 -10.910 1.00 0.00 O ATOM 1554 CB ILE A 109 -7.837 -7.224 -13.225 1.00 0.00 C ATOM 1555 CG1 ILE A 109 -6.806 -6.191 -13.681 1.00 0.00 C ATOM 1556 CG2 ILE A 109 -9.002 -7.270 -14.204 1.00 0.00 C ATOM 1557 CD1 ILE A 109 -5.507 -6.251 -12.913 1.00 0.00 C ATOM 0 H ILE A 109 -6.470 -7.647 -11.173 1.00 0.00 H new ATOM 0 HA ILE A 109 -8.539 -5.825 -11.740 1.00 0.00 H new ATOM 0 HB ILE A 109 -7.370 -8.209 -13.205 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -6.599 -6.341 -14.741 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -7.233 -5.194 -13.578 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -8.630 -7.504 -15.201 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -9.710 -8.037 -13.891 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -9.501 -6.301 -14.221 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -4.825 -5.490 -13.292 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -5.701 -6.071 -11.856 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -5.056 -7.236 -13.037 1.00 0.00 H new ATOM 1569 N SER A 110 -10.742 -7.118 -11.903 1.00 0.00 N ATOM 1570 CA SER A 110 -12.030 -7.762 -11.680 1.00 0.00 C ATOM 1571 C SER A 110 -12.786 -7.940 -12.992 1.00 0.00 C ATOM 1572 O SER A 110 -12.869 -9.045 -13.527 1.00 0.00 O ATOM 1573 CB SER A 110 -12.871 -6.940 -10.700 1.00 0.00 C ATOM 1574 OG SER A 110 -12.595 -5.557 -10.828 1.00 0.00 O ATOM 0 H SER A 110 -10.796 -6.223 -12.390 1.00 0.00 H new ATOM 0 HA SER A 110 -11.846 -8.748 -11.253 1.00 0.00 H new ATOM 0 HB2 SER A 110 -13.930 -7.121 -10.884 1.00 0.00 H new ATOM 0 HB3 SER A 110 -12.665 -7.262 -9.679 1.00 0.00 H new ATOM 0 HG SER A 110 -13.146 -5.053 -10.193 1.00 0.00 H new TER 1580 SER A 110