USER MOD reduce.3.24.130724 H: found=0, std=0, add=921, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 914 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 81 HIS : no HD1:sc= -2.88! C(o=-3!,f=-3.7!) USER MOD Set 1.2: A 92 TYR OH : rot 30:sc= -0.136 USER MOD Set 2.1: A 68 CYS SG : rot -127:sc=-0.00796 USER MOD Set 2.2: A 76 TYR OH : rot 180:sc= -0.163 USER MOD Set 3.1: A 49 SER OG : rot -80:sc= 0.958 USER MOD Set 3.2: A 64 HIS : no HD1:sc= -4.63! C(o=-3.7!,f=-13!) USER MOD Set 4.1: A 20 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 24 GLN : amide:sc= -1.93! C(o=-1.9!,f=-1.6!) USER MOD Single : A 1 THR N :NH3+ -144:sc= 0.417 (180deg=-0.184) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.182 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl -148:sc= -0.257 (180deg=-1.1) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -143:sc= -0.975 USER MOD Single : A 15 LYS NZ :NH3+ 161:sc= 0.591 (180deg=0.0707!) USER MOD Single : A 16 HIS : no HD1:sc= -0.157 X(o=-0.16,f=0) USER MOD Single : A 17 MET CE :methyl 154:sc= -5.12! (180deg=-10.2!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 GLN :FLIP amide:sc= 0 F(o=-0.87,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -164:sc= -0.803 (180deg=-1.39) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 177:sc= 0.142 (180deg=0.0767) USER MOD Single : A 40 SER OG : rot 90:sc= 0.148 USER MOD Single : A 41 SER OG : rot 16:sc= 0.302 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -2.34! USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.117 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0.102 USER MOD Single : A 69 SER OG : rot -83:sc= -5.71! USER MOD Single : A 70 THR OG1 : rot 180:sc= -2.8! USER MOD Single : A 72 GLN : amide:sc= -0.738 K(o=-0.74,f=-2.2!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN :FLIP amide:sc= -5.41 F(o=-9.1!,f=-5.4) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot -22:sc= 1.04 USER MOD Single : A 85 THR OG1 : rot -50:sc= -1.01! USER MOD Single : A 91 ASN : amide:sc=-0.000443 X(o=-0.00044,f=-0.14) USER MOD Single : A 93 HIS : no HD1:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 94 GLN : amide:sc= -0.0691 K(o=-0.069,f=-1.2) USER MOD Single : A 95 HIS : no HD1:sc= -6.69 K(o=-6.7,f=-8.7!) USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 140:sc= -0.997 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 GLN : amide:sc= -1.21 X(o=-1.2,f=-1.4!) USER MOD Single : A 112 ASN : amide:sc= -1.29 X(o=-1.3,f=-1.4) USER MOD Single : A 113 LYS NZ :NH3+ 130:sc= -0.42 (180deg=-1.53) USER MOD Single : A 114 ASN :FLIP amide:sc= 0.238 F(o=-1,f=0.24) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot -21:sc= 0.194! USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 21.721 -9.458 -9.323 1.00 0.00 N ATOM 2 CA THR A 1 20.405 -9.344 -8.630 1.00 0.00 C ATOM 3 C THR A 1 19.349 -8.790 -9.590 1.00 0.00 C ATOM 4 O THR A 1 19.628 -8.509 -10.740 1.00 0.00 O ATOM 5 CB THR A 1 20.648 -8.369 -7.478 1.00 0.00 C ATOM 6 OG1 THR A 1 21.443 -7.285 -7.937 1.00 0.00 O ATOM 7 CG2 THR A 1 21.369 -9.091 -6.341 1.00 0.00 C ATOM 0 H1 THR A 1 22.220 -10.304 -8.983 1.00 0.00 H new ATOM 0 H2 THR A 1 21.568 -9.535 -10.349 1.00 0.00 H new ATOM 0 H3 THR A 1 22.294 -8.614 -9.121 1.00 0.00 H new ATOM 0 HA THR A 1 20.038 -10.308 -8.277 1.00 0.00 H new ATOM 0 HB THR A 1 19.693 -7.989 -7.114 1.00 0.00 H new ATOM 0 HG1 THR A 1 21.598 -6.658 -7.200 1.00 0.00 H new ATOM 0 HG21 THR A 1 21.542 -8.395 -5.520 1.00 0.00 H new ATOM 0 HG22 THR A 1 20.756 -9.921 -5.990 1.00 0.00 H new ATOM 0 HG23 THR A 1 22.325 -9.473 -6.700 1.00 0.00 H new ATOM 15 N GLU A 2 18.137 -8.632 -9.128 1.00 0.00 N ATOM 16 CA GLU A 2 17.063 -8.097 -10.013 1.00 0.00 C ATOM 17 C GLU A 2 16.574 -6.742 -9.491 1.00 0.00 C ATOM 18 O GLU A 2 16.412 -6.546 -8.302 1.00 0.00 O ATOM 19 CB GLU A 2 15.941 -9.135 -9.948 1.00 0.00 C ATOM 20 CG GLU A 2 16.041 -10.070 -11.156 1.00 0.00 C ATOM 21 CD GLU A 2 15.677 -11.494 -10.731 1.00 0.00 C ATOM 22 OE1 GLU A 2 14.503 -11.746 -10.518 1.00 0.00 O ATOM 23 OE2 GLU A 2 16.578 -12.309 -10.627 1.00 0.00 O ATOM 0 H GLU A 2 17.845 -8.851 -8.175 1.00 0.00 H new ATOM 0 HA GLU A 2 17.410 -7.937 -11.034 1.00 0.00 H new ATOM 0 HB2 GLU A 2 16.014 -9.708 -9.024 1.00 0.00 H new ATOM 0 HB3 GLU A 2 14.971 -8.638 -9.939 1.00 0.00 H new ATOM 0 HG2 GLU A 2 15.371 -9.733 -11.947 1.00 0.00 H new ATOM 0 HG3 GLU A 2 17.052 -10.048 -11.564 1.00 0.00 H new ATOM 30 N ALA A 3 16.340 -5.807 -10.372 1.00 0.00 N ATOM 31 CA ALA A 3 15.863 -4.464 -9.931 1.00 0.00 C ATOM 32 C ALA A 3 14.814 -3.930 -10.906 1.00 0.00 C ATOM 33 O ALA A 3 14.212 -4.674 -11.655 1.00 0.00 O ATOM 34 CB ALA A 3 17.108 -3.577 -9.944 1.00 0.00 C ATOM 0 H ALA A 3 16.459 -5.915 -11.379 1.00 0.00 H new ATOM 0 HA ALA A 3 15.395 -4.495 -8.947 1.00 0.00 H new ATOM 0 HB1 ALA A 3 16.839 -2.568 -9.630 1.00 0.00 H new ATOM 0 HB2 ALA A 3 17.852 -3.984 -9.259 1.00 0.00 H new ATOM 0 HB3 ALA A 3 17.522 -3.545 -10.952 1.00 0.00 H new ATOM 40 N GLU A 4 14.587 -2.644 -10.897 1.00 0.00 N ATOM 41 CA GLU A 4 13.572 -2.055 -11.818 1.00 0.00 C ATOM 42 C GLU A 4 13.624 -0.527 -11.755 1.00 0.00 C ATOM 43 O GLU A 4 14.084 0.047 -10.787 1.00 0.00 O ATOM 44 CB GLU A 4 12.222 -2.565 -11.304 1.00 0.00 C ATOM 45 CG GLU A 4 12.095 -2.270 -9.805 1.00 0.00 C ATOM 46 CD GLU A 4 10.700 -1.716 -9.511 1.00 0.00 C ATOM 47 OE1 GLU A 4 9.752 -2.207 -10.101 1.00 0.00 O ATOM 48 OE2 GLU A 4 10.603 -0.807 -8.702 1.00 0.00 O ATOM 0 H GLU A 4 15.061 -1.975 -10.291 1.00 0.00 H new ATOM 0 HA GLU A 4 13.746 -2.338 -12.856 1.00 0.00 H new ATOM 0 HB2 GLU A 4 11.409 -2.085 -11.849 1.00 0.00 H new ATOM 0 HB3 GLU A 4 12.136 -3.637 -11.482 1.00 0.00 H new ATOM 0 HG2 GLU A 4 12.266 -3.179 -9.229 1.00 0.00 H new ATOM 0 HG3 GLU A 4 12.855 -1.551 -9.499 1.00 0.00 H new ATOM 55 N ASP A 5 13.157 0.134 -12.780 1.00 0.00 N ATOM 56 CA ASP A 5 13.178 1.626 -12.781 1.00 0.00 C ATOM 57 C ASP A 5 12.357 2.167 -13.956 1.00 0.00 C ATOM 58 O ASP A 5 12.737 3.127 -14.599 1.00 0.00 O ATOM 59 CB ASP A 5 14.653 2.011 -12.932 1.00 0.00 C ATOM 60 CG ASP A 5 15.262 1.306 -14.149 1.00 0.00 C ATOM 61 OD1 ASP A 5 14.519 0.999 -15.068 1.00 0.00 O ATOM 62 OD2 ASP A 5 16.462 1.087 -14.142 1.00 0.00 O ATOM 0 H ASP A 5 12.762 -0.295 -13.617 1.00 0.00 H new ATOM 0 HA ASP A 5 12.744 2.042 -11.872 1.00 0.00 H new ATOM 0 HB2 ASP A 5 14.745 3.091 -13.045 1.00 0.00 H new ATOM 0 HB3 ASP A 5 15.202 1.737 -12.031 1.00 0.00 H new ATOM 67 N SER A 6 11.237 1.558 -14.240 1.00 0.00 N ATOM 68 CA SER A 6 10.392 2.036 -15.374 1.00 0.00 C ATOM 69 C SER A 6 9.349 3.041 -14.871 1.00 0.00 C ATOM 70 O SER A 6 9.363 3.440 -13.723 1.00 0.00 O ATOM 71 CB SER A 6 9.709 0.782 -15.916 1.00 0.00 C ATOM 72 OG SER A 6 10.464 0.271 -17.006 1.00 0.00 O ATOM 0 H SER A 6 10.870 0.750 -13.736 1.00 0.00 H new ATOM 0 HA SER A 6 10.979 2.544 -16.140 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.627 0.030 -15.131 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.695 1.017 -16.239 1.00 0.00 H new ATOM 0 HG SER A 6 10.030 -0.535 -17.355 1.00 0.00 H new ATOM 78 N ILE A 7 8.447 3.449 -15.723 1.00 0.00 N ATOM 79 CA ILE A 7 7.404 4.427 -15.295 1.00 0.00 C ATOM 80 C ILE A 7 6.261 3.697 -14.579 1.00 0.00 C ATOM 81 O ILE A 7 6.174 3.707 -13.367 1.00 0.00 O ATOM 82 CB ILE A 7 6.914 5.078 -16.592 1.00 0.00 C ATOM 83 CG1 ILE A 7 8.065 5.855 -17.234 1.00 0.00 C ATOM 84 CG2 ILE A 7 5.762 6.039 -16.284 1.00 0.00 C ATOM 85 CD1 ILE A 7 7.626 6.383 -18.602 1.00 0.00 C ATOM 0 H ILE A 7 8.387 3.148 -16.696 1.00 0.00 H new ATOM 0 HA ILE A 7 7.789 5.169 -14.595 1.00 0.00 H new ATOM 0 HB ILE A 7 6.565 4.304 -17.276 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.361 6.684 -16.591 1.00 0.00 H new ATOM 0 HG13 ILE A 7 8.936 5.210 -17.344 1.00 0.00 H new ATOM 0 HG21 ILE A 7 5.416 6.500 -17.209 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.942 5.488 -15.824 1.00 0.00 H new ATOM 0 HG23 ILE A 7 6.108 6.814 -15.599 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.446 6.936 -19.059 1.00 0.00 H new ATOM 0 HD12 ILE A 7 7.351 5.546 -19.244 1.00 0.00 H new ATOM 0 HD13 ILE A 7 6.767 7.043 -18.479 1.00 0.00 H new ATOM 97 N GLU A 8 5.384 3.064 -15.318 1.00 0.00 N ATOM 98 CA GLU A 8 4.244 2.332 -14.682 1.00 0.00 C ATOM 99 C GLU A 8 3.487 3.254 -13.719 1.00 0.00 C ATOM 100 O GLU A 8 3.878 3.436 -12.583 1.00 0.00 O ATOM 101 CB GLU A 8 4.887 1.170 -13.921 1.00 0.00 C ATOM 102 CG GLU A 8 5.627 0.263 -14.908 1.00 0.00 C ATOM 103 CD GLU A 8 5.764 -1.139 -14.310 1.00 0.00 C ATOM 104 OE1 GLU A 8 4.792 -1.875 -14.350 1.00 0.00 O ATOM 105 OE2 GLU A 8 6.838 -1.453 -13.824 1.00 0.00 O ATOM 0 H GLU A 8 5.408 3.022 -16.337 1.00 0.00 H new ATOM 0 HA GLU A 8 3.520 1.983 -15.419 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.580 1.551 -13.171 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.123 0.602 -13.390 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.084 0.216 -15.852 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.612 0.674 -15.127 1.00 0.00 H new ATOM 112 N MET A 9 2.407 3.837 -14.167 1.00 0.00 N ATOM 113 CA MET A 9 1.627 4.746 -13.284 1.00 0.00 C ATOM 114 C MET A 9 0.145 4.735 -13.673 1.00 0.00 C ATOM 115 O MET A 9 -0.503 5.762 -13.715 1.00 0.00 O ATOM 116 CB MET A 9 2.232 6.147 -13.478 1.00 0.00 C ATOM 117 CG MET A 9 2.570 6.401 -14.955 1.00 0.00 C ATOM 118 SD MET A 9 1.067 6.835 -15.864 1.00 0.00 S ATOM 119 CE MET A 9 1.018 5.375 -16.932 1.00 0.00 C ATOM 0 H MET A 9 2.032 3.721 -15.109 1.00 0.00 H new ATOM 0 HA MET A 9 1.680 4.432 -12.241 1.00 0.00 H new ATOM 0 HB2 MET A 9 1.529 6.902 -13.127 1.00 0.00 H new ATOM 0 HB3 MET A 9 3.133 6.245 -12.873 1.00 0.00 H new ATOM 0 HG2 MET A 9 3.300 7.206 -15.037 1.00 0.00 H new ATOM 0 HG3 MET A 9 3.025 5.512 -15.391 1.00 0.00 H new ATOM 0 HE1 MET A 9 0.582 5.643 -17.894 1.00 0.00 H new ATOM 0 HE2 MET A 9 2.031 5.001 -17.084 1.00 0.00 H new ATOM 0 HE3 MET A 9 0.412 4.600 -16.462 1.00 0.00 H new ATOM 129 N TYR A 10 -0.396 3.577 -13.951 1.00 0.00 N ATOM 130 CA TYR A 10 -1.839 3.495 -14.333 1.00 0.00 C ATOM 131 C TYR A 10 -2.712 4.210 -13.294 1.00 0.00 C ATOM 132 O TYR A 10 -3.252 5.269 -13.549 1.00 0.00 O ATOM 133 CB TYR A 10 -2.159 1.999 -14.361 1.00 0.00 C ATOM 134 CG TYR A 10 -1.434 1.351 -15.517 1.00 0.00 C ATOM 135 CD1 TYR A 10 -1.984 1.397 -16.803 1.00 0.00 C ATOM 136 CD2 TYR A 10 -0.211 0.705 -15.301 1.00 0.00 C ATOM 137 CE1 TYR A 10 -1.312 0.795 -17.874 1.00 0.00 C ATOM 138 CE2 TYR A 10 0.462 0.104 -16.372 1.00 0.00 C ATOM 139 CZ TYR A 10 -0.088 0.149 -17.658 1.00 0.00 C ATOM 140 OH TYR A 10 0.575 -0.443 -18.713 1.00 0.00 O ATOM 0 H TYR A 10 0.098 2.685 -13.930 1.00 0.00 H new ATOM 0 HA TYR A 10 -2.035 3.974 -15.292 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -1.858 1.534 -13.422 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -3.234 1.848 -14.461 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -2.927 1.897 -16.969 1.00 0.00 H new ATOM 0 HD2 TYR A 10 0.213 0.670 -14.309 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.737 0.829 -18.866 1.00 0.00 H new ATOM 0 HE2 TYR A 10 1.406 -0.394 -16.205 1.00 0.00 H new ATOM 0 HH TYR A 10 1.409 -0.846 -18.391 1.00 0.00 H new ATOM 150 N GLU A 11 -2.851 3.642 -12.125 1.00 0.00 N ATOM 151 CA GLU A 11 -3.687 4.292 -11.073 1.00 0.00 C ATOM 152 C GLU A 11 -3.152 3.956 -9.681 1.00 0.00 C ATOM 153 O GLU A 11 -2.941 4.826 -8.858 1.00 0.00 O ATOM 154 CB GLU A 11 -5.083 3.698 -11.244 1.00 0.00 C ATOM 155 CG GLU A 11 -6.134 4.763 -10.932 1.00 0.00 C ATOM 156 CD GLU A 11 -6.273 5.712 -12.125 1.00 0.00 C ATOM 157 OE1 GLU A 11 -6.662 5.248 -13.184 1.00 0.00 O ATOM 158 OE2 GLU A 11 -5.988 6.886 -11.958 1.00 0.00 O ATOM 0 H GLU A 11 -2.422 2.757 -11.853 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.683 5.378 -11.171 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.212 3.333 -12.263 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.209 2.842 -10.580 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.092 4.291 -10.717 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.847 5.322 -10.041 1.00 0.00 H new ATOM 165 N TRP A 12 -2.950 2.696 -9.407 1.00 0.00 N ATOM 166 CA TRP A 12 -2.451 2.288 -8.063 1.00 0.00 C ATOM 167 C TRP A 12 -1.149 3.017 -7.710 1.00 0.00 C ATOM 168 O TRP A 12 -0.774 3.102 -6.560 1.00 0.00 O ATOM 169 CB TRP A 12 -2.204 0.781 -8.166 1.00 0.00 C ATOM 170 CG TRP A 12 -1.245 0.502 -9.281 1.00 0.00 C ATOM 171 CD1 TRP A 12 -1.593 0.081 -10.518 1.00 0.00 C ATOM 172 CD2 TRP A 12 0.207 0.619 -9.282 1.00 0.00 C ATOM 173 NE1 TRP A 12 -0.447 -0.068 -11.279 1.00 0.00 N ATOM 174 CE2 TRP A 12 0.688 0.251 -10.560 1.00 0.00 C ATOM 175 CE3 TRP A 12 1.144 1.003 -8.306 1.00 0.00 C ATOM 176 CZ2 TRP A 12 2.051 0.265 -10.861 1.00 0.00 C ATOM 177 CZ3 TRP A 12 2.516 1.019 -8.605 1.00 0.00 C ATOM 178 CH2 TRP A 12 2.969 0.651 -9.879 1.00 0.00 C ATOM 0 H TRP A 12 -3.110 1.928 -10.059 1.00 0.00 H new ATOM 0 HA TRP A 12 -3.167 2.538 -7.280 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.803 0.403 -7.225 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -3.145 0.260 -8.344 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -2.601 -0.108 -10.857 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -0.441 -0.376 -12.251 1.00 0.00 H new ATOM 0 HE3 TRP A 12 0.806 1.287 -7.320 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 2.394 -0.020 -11.845 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 3.227 1.317 -7.848 1.00 0.00 H new ATOM 0 HH2 TRP A 12 4.026 0.665 -10.102 1.00 0.00 H new ATOM 189 N TYR A 13 -0.452 3.537 -8.684 1.00 0.00 N ATOM 190 CA TYR A 13 0.828 4.244 -8.383 1.00 0.00 C ATOM 191 C TYR A 13 0.559 5.693 -7.968 1.00 0.00 C ATOM 192 O TYR A 13 -0.128 6.428 -8.649 1.00 0.00 O ATOM 193 CB TYR A 13 1.622 4.201 -9.688 1.00 0.00 C ATOM 194 CG TYR A 13 2.990 4.803 -9.464 1.00 0.00 C ATOM 195 CD1 TYR A 13 3.892 4.184 -8.592 1.00 0.00 C ATOM 196 CD2 TYR A 13 3.353 5.981 -10.129 1.00 0.00 C ATOM 197 CE1 TYR A 13 5.159 4.743 -8.384 1.00 0.00 C ATOM 198 CE2 TYR A 13 4.620 6.539 -9.921 1.00 0.00 C ATOM 199 CZ TYR A 13 5.523 5.921 -9.049 1.00 0.00 C ATOM 200 OH TYR A 13 6.772 6.471 -8.843 1.00 0.00 O ATOM 0 H TYR A 13 -0.711 3.504 -9.670 1.00 0.00 H new ATOM 0 HA TYR A 13 1.367 3.777 -7.559 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.718 3.172 -10.034 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.093 4.751 -10.466 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.611 3.276 -8.080 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.656 6.459 -10.802 1.00 0.00 H new ATOM 0 HE1 TYR A 13 5.856 4.266 -7.711 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.901 7.447 -10.434 1.00 0.00 H new ATOM 0 HH TYR A 13 6.864 7.285 -9.381 1.00 0.00 H new ATOM 210 N SER A 14 1.105 6.107 -6.855 1.00 0.00 N ATOM 211 CA SER A 14 0.895 7.508 -6.389 1.00 0.00 C ATOM 212 C SER A 14 2.239 8.149 -6.035 1.00 0.00 C ATOM 213 O SER A 14 3.035 7.588 -5.309 1.00 0.00 O ATOM 214 CB SER A 14 0.015 7.395 -5.147 1.00 0.00 C ATOM 215 OG SER A 14 -0.925 6.342 -5.327 1.00 0.00 O ATOM 0 H SER A 14 1.689 5.533 -6.247 1.00 0.00 H new ATOM 0 HA SER A 14 0.432 8.130 -7.155 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.630 7.202 -4.268 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.506 8.336 -4.970 1.00 0.00 H new ATOM 0 HG SER A 14 -1.780 6.594 -4.920 1.00 0.00 H new ATOM 221 N LYS A 15 2.499 9.311 -6.562 1.00 0.00 N ATOM 222 CA LYS A 15 3.798 9.993 -6.281 1.00 0.00 C ATOM 223 C LYS A 15 3.849 10.579 -4.853 1.00 0.00 C ATOM 224 O LYS A 15 3.329 11.632 -4.568 1.00 0.00 O ATOM 225 CB LYS A 15 3.925 11.080 -7.368 1.00 0.00 C ATOM 226 CG LYS A 15 3.154 12.357 -6.994 1.00 0.00 C ATOM 227 CD LYS A 15 1.723 12.005 -6.581 1.00 0.00 C ATOM 228 CE LYS A 15 1.102 13.181 -5.827 1.00 0.00 C ATOM 229 NZ LYS A 15 1.287 12.837 -4.388 1.00 0.00 N ATOM 0 H LYS A 15 1.867 9.822 -7.178 1.00 0.00 H new ATOM 0 HA LYS A 15 4.635 9.296 -6.316 1.00 0.00 H new ATOM 0 HB2 LYS A 15 4.977 11.322 -7.518 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.548 10.693 -8.315 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.661 12.871 -6.177 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.138 13.043 -7.841 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.127 11.770 -7.463 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.724 11.116 -5.951 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.596 14.120 -6.078 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.047 13.300 -6.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.194 13.697 -3.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 0.564 12.147 -4.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.232 12.427 -4.248 1.00 0.00 H new ATOM 243 N HIS A 16 4.495 9.891 -3.955 1.00 0.00 N ATOM 244 CA HIS A 16 4.611 10.381 -2.550 1.00 0.00 C ATOM 245 C HIS A 16 3.228 10.601 -1.941 1.00 0.00 C ATOM 246 O HIS A 16 2.936 11.648 -1.396 1.00 0.00 O ATOM 247 CB HIS A 16 5.381 11.701 -2.641 1.00 0.00 C ATOM 248 CG HIS A 16 6.739 11.454 -3.238 1.00 0.00 C ATOM 249 ND1 HIS A 16 7.875 11.313 -2.457 1.00 0.00 N ATOM 250 CD2 HIS A 16 7.160 11.323 -4.538 1.00 0.00 C ATOM 251 CE1 HIS A 16 8.915 11.106 -3.286 1.00 0.00 C ATOM 252 NE2 HIS A 16 8.534 11.103 -4.567 1.00 0.00 N ATOM 0 H HIS A 16 4.954 8.998 -4.135 1.00 0.00 H new ATOM 0 HA HIS A 16 5.121 9.661 -1.911 1.00 0.00 H new ATOM 0 HB2 HIS A 16 4.828 12.414 -3.252 1.00 0.00 H new ATOM 0 HB3 HIS A 16 5.483 12.143 -1.650 1.00 0.00 H new ATOM 0 HD2 HIS A 16 6.521 11.382 -5.407 1.00 0.00 H new ATOM 0 HE1 HIS A 16 9.933 10.960 -2.956 1.00 0.00 H new ATOM 0 HE2 HIS A 16 9.123 10.968 -5.389 1.00 0.00 H new ATOM 260 N MET A 17 2.379 9.616 -2.022 1.00 0.00 N ATOM 261 CA MET A 17 1.013 9.757 -1.438 1.00 0.00 C ATOM 262 C MET A 17 1.073 9.516 0.073 1.00 0.00 C ATOM 263 O MET A 17 1.953 8.837 0.567 1.00 0.00 O ATOM 264 CB MET A 17 0.171 8.682 -2.125 1.00 0.00 C ATOM 265 CG MET A 17 -1.257 8.717 -1.576 1.00 0.00 C ATOM 266 SD MET A 17 -2.197 7.321 -2.245 1.00 0.00 S ATOM 267 CE MET A 17 -1.171 6.002 -1.550 1.00 0.00 C ATOM 0 H MET A 17 2.570 8.718 -2.467 1.00 0.00 H new ATOM 0 HA MET A 17 0.593 10.751 -1.590 1.00 0.00 H new ATOM 0 HB2 MET A 17 0.161 8.847 -3.202 1.00 0.00 H new ATOM 0 HB3 MET A 17 0.611 7.699 -1.958 1.00 0.00 H new ATOM 0 HG2 MET A 17 -1.240 8.669 -0.487 1.00 0.00 H new ATOM 0 HG3 MET A 17 -1.739 9.656 -1.847 1.00 0.00 H new ATOM 0 HE1 MET A 17 -1.771 5.100 -1.429 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.338 5.796 -2.222 1.00 0.00 H new ATOM 0 HE3 MET A 17 -0.785 6.314 -0.579 1.00 0.00 H new ATOM 277 N THR A 18 0.153 10.074 0.809 1.00 0.00 N ATOM 278 CA THR A 18 0.165 9.889 2.290 1.00 0.00 C ATOM 279 C THR A 18 -0.640 8.652 2.693 1.00 0.00 C ATOM 280 O THR A 18 -1.695 8.381 2.151 1.00 0.00 O ATOM 281 CB THR A 18 -0.485 11.152 2.849 1.00 0.00 C ATOM 282 OG1 THR A 18 0.056 12.292 2.195 1.00 0.00 O ATOM 283 CG2 THR A 18 -0.210 11.242 4.348 1.00 0.00 C ATOM 0 H THR A 18 -0.608 10.651 0.450 1.00 0.00 H new ATOM 0 HA THR A 18 1.175 9.739 2.671 1.00 0.00 H new ATOM 0 HB THR A 18 -1.561 11.115 2.679 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.362 13.103 2.552 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.673 12.143 4.749 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.626 10.367 4.847 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.866 11.280 4.519 1.00 0.00 H new ATOM 291 N ARG A 19 -0.149 7.906 3.650 1.00 0.00 N ATOM 292 CA ARG A 19 -0.878 6.685 4.117 1.00 0.00 C ATOM 293 C ARG A 19 -2.347 7.014 4.389 1.00 0.00 C ATOM 294 O ARG A 19 -3.246 6.255 4.074 1.00 0.00 O ATOM 295 CB ARG A 19 -0.177 6.292 5.425 1.00 0.00 C ATOM 296 CG ARG A 19 -0.434 7.362 6.500 1.00 0.00 C ATOM 297 CD ARG A 19 0.475 7.109 7.704 1.00 0.00 C ATOM 298 NE ARG A 19 -0.368 7.416 8.893 1.00 0.00 N ATOM 299 CZ ARG A 19 -0.386 8.625 9.386 1.00 0.00 C ATOM 300 NH1 ARG A 19 0.733 9.215 9.706 1.00 0.00 N ATOM 301 NH2 ARG A 19 -1.522 9.243 9.557 1.00 0.00 N ATOM 0 H ARG A 19 0.731 8.091 4.132 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.861 5.886 3.376 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -0.544 5.325 5.768 1.00 0.00 H new ATOM 0 HB3 ARG A 19 0.894 6.185 5.255 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.245 8.355 6.092 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.479 7.338 6.809 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.826 6.077 7.724 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.359 7.745 7.672 1.00 0.00 H new ATOM 0 HE ARG A 19 -0.931 6.682 9.322 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.621 8.732 9.571 1.00 0.00 H new ATOM 0 HH12 ARG A 19 0.720 10.159 10.091 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.396 8.782 9.306 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.536 10.187 9.942 1.00 0.00 H new ATOM 315 N SER A 20 -2.581 8.150 4.977 1.00 0.00 N ATOM 316 CA SER A 20 -3.966 8.566 5.298 1.00 0.00 C ATOM 317 C SER A 20 -4.708 8.907 4.006 1.00 0.00 C ATOM 318 O SER A 20 -5.862 8.566 3.836 1.00 0.00 O ATOM 319 CB SER A 20 -3.782 9.784 6.204 1.00 0.00 C ATOM 320 OG SER A 20 -4.614 10.850 5.761 1.00 0.00 O ATOM 0 H SER A 20 -1.859 8.816 5.252 1.00 0.00 H new ATOM 0 HA SER A 20 -4.561 7.795 5.788 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.029 9.523 7.233 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.738 10.099 6.196 1.00 0.00 H new ATOM 0 HG SER A 20 -4.492 11.626 6.347 1.00 0.00 H new ATOM 326 N GLN A 21 -4.048 9.555 3.082 1.00 0.00 N ATOM 327 CA GLN A 21 -4.715 9.886 1.794 1.00 0.00 C ATOM 328 C GLN A 21 -5.146 8.592 1.114 1.00 0.00 C ATOM 329 O GLN A 21 -6.240 8.492 0.596 1.00 0.00 O ATOM 330 CB GLN A 21 -3.660 10.615 0.963 1.00 0.00 C ATOM 331 CG GLN A 21 -3.511 12.050 1.477 1.00 0.00 C ATOM 332 CD GLN A 21 -4.353 12.993 0.616 1.00 0.00 C ATOM 333 OE1 GLN A 21 -5.536 12.612 0.219 1.00 0.00 O flip ATOM 334 NE2 GLN A 21 -3.930 14.087 0.301 1.00 0.00 N flip ATOM 0 H GLN A 21 -3.080 9.867 3.165 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.604 10.503 1.923 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -2.705 10.093 1.028 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -3.949 10.621 -0.088 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -3.830 12.109 2.518 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -2.464 12.351 1.447 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -3.005 14.385 0.611 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -4.500 14.708 -0.274 1.00 0.00 H new ATOM 343 N ALA A 22 -4.306 7.588 1.132 1.00 0.00 N ATOM 344 CA ALA A 22 -4.693 6.295 0.509 1.00 0.00 C ATOM 345 C ALA A 22 -5.913 5.750 1.240 1.00 0.00 C ATOM 346 O ALA A 22 -6.869 5.332 0.631 1.00 0.00 O ATOM 347 CB ALA A 22 -3.487 5.365 0.683 1.00 0.00 C ATOM 0 H ALA A 22 -3.376 7.611 1.549 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.949 6.394 -0.546 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.711 4.393 0.243 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.619 5.798 0.185 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.273 5.242 1.745 1.00 0.00 H new ATOM 353 N GLU A 23 -5.888 5.774 2.546 1.00 0.00 N ATOM 354 CA GLU A 23 -7.059 5.273 3.326 1.00 0.00 C ATOM 355 C GLU A 23 -8.340 5.983 2.885 1.00 0.00 C ATOM 356 O GLU A 23 -9.314 5.352 2.526 1.00 0.00 O ATOM 357 CB GLU A 23 -6.750 5.615 4.786 1.00 0.00 C ATOM 358 CG GLU A 23 -5.673 4.676 5.324 1.00 0.00 C ATOM 359 CD GLU A 23 -5.445 4.957 6.811 1.00 0.00 C ATOM 360 OE1 GLU A 23 -5.133 6.090 7.139 1.00 0.00 O ATOM 361 OE2 GLU A 23 -5.584 4.034 7.596 1.00 0.00 O ATOM 0 H GLU A 23 -5.109 6.118 3.107 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.214 4.204 3.177 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.414 6.649 4.863 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.654 5.528 5.388 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.976 3.639 5.182 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.745 4.816 4.770 1.00 0.00 H new ATOM 368 N GLN A 24 -8.355 7.290 2.925 1.00 0.00 N ATOM 369 CA GLN A 24 -9.588 8.018 2.525 1.00 0.00 C ATOM 370 C GLN A 24 -9.902 7.789 1.047 1.00 0.00 C ATOM 371 O GLN A 24 -11.022 7.466 0.704 1.00 0.00 O ATOM 372 CB GLN A 24 -9.331 9.502 2.820 1.00 0.00 C ATOM 373 CG GLN A 24 -8.102 10.000 2.056 1.00 0.00 C ATOM 374 CD GLN A 24 -7.789 11.434 2.484 1.00 0.00 C ATOM 375 OE1 GLN A 24 -8.273 12.377 1.890 1.00 0.00 O ATOM 376 NE2 GLN A 24 -6.995 11.641 3.498 1.00 0.00 N ATOM 0 H GLN A 24 -7.573 7.877 3.215 1.00 0.00 H new ATOM 0 HA GLN A 24 -10.455 7.659 3.079 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.204 10.091 2.538 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.183 9.645 3.890 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -7.248 9.353 2.257 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -8.286 9.960 0.982 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -6.588 10.850 3.997 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.781 12.594 3.792 1.00 0.00 H new ATOM 385 N LEU A 25 -8.948 7.933 0.161 1.00 0.00 N ATOM 386 CA LEU A 25 -9.275 7.695 -1.272 1.00 0.00 C ATOM 387 C LEU A 25 -9.548 6.206 -1.492 1.00 0.00 C ATOM 388 O LEU A 25 -10.250 5.831 -2.411 1.00 0.00 O ATOM 389 CB LEU A 25 -8.079 8.206 -2.085 1.00 0.00 C ATOM 390 CG LEU A 25 -6.842 7.350 -1.809 1.00 0.00 C ATOM 391 CD1 LEU A 25 -6.850 6.132 -2.734 1.00 0.00 C ATOM 392 CD2 LEU A 25 -5.579 8.187 -2.064 1.00 0.00 C ATOM 0 H LEU A 25 -7.984 8.198 0.362 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.175 8.222 -1.588 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.317 8.181 -3.148 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.874 9.245 -1.829 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.851 7.014 -0.772 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.969 5.521 -2.538 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.748 5.542 -2.551 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.838 6.464 -3.772 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.695 7.580 -1.868 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.567 8.521 -3.101 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.578 9.054 -1.403 1.00 0.00 H new ATOM 404 N LEU A 26 -9.050 5.353 -0.628 1.00 0.00 N ATOM 405 CA LEU A 26 -9.355 3.904 -0.783 1.00 0.00 C ATOM 406 C LEU A 26 -10.799 3.701 -0.337 1.00 0.00 C ATOM 407 O LEU A 26 -11.648 3.303 -1.112 1.00 0.00 O ATOM 408 CB LEU A 26 -8.391 3.158 0.143 1.00 0.00 C ATOM 409 CG LEU A 26 -7.204 2.627 -0.669 1.00 0.00 C ATOM 410 CD1 LEU A 26 -6.118 2.105 0.280 1.00 0.00 C ATOM 411 CD2 LEU A 26 -7.675 1.486 -1.576 1.00 0.00 C ATOM 0 H LEU A 26 -8.455 5.596 0.164 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.240 3.544 -1.805 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.037 3.825 0.929 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.907 2.333 0.633 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.796 3.434 -1.277 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.277 1.729 -0.302 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.779 2.915 0.926 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.525 1.300 0.891 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.831 1.108 -2.153 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -8.086 0.682 -0.966 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.444 1.855 -2.255 1.00 0.00 H new ATOM 423 N LYS A 27 -11.096 4.015 0.901 1.00 0.00 N ATOM 424 CA LYS A 27 -12.501 3.884 1.383 1.00 0.00 C ATOM 425 C LYS A 27 -13.426 4.679 0.457 1.00 0.00 C ATOM 426 O LYS A 27 -14.520 4.256 0.136 1.00 0.00 O ATOM 427 CB LYS A 27 -12.495 4.498 2.785 1.00 0.00 C ATOM 428 CG LYS A 27 -13.219 3.567 3.762 1.00 0.00 C ATOM 429 CD LYS A 27 -14.370 4.322 4.426 1.00 0.00 C ATOM 430 CE LYS A 27 -15.435 3.324 4.888 1.00 0.00 C ATOM 431 NZ LYS A 27 -15.147 3.096 6.332 1.00 0.00 N ATOM 0 H LYS A 27 -10.428 4.354 1.593 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.851 2.852 1.395 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.469 4.661 3.116 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.983 5.472 2.767 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.600 2.693 3.234 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.523 3.204 4.519 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -14.001 4.896 5.276 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -14.804 5.035 3.725 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -16.439 3.723 4.744 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -15.377 2.394 4.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -15.643 2.241 6.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -14.123 2.974 6.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -15.474 3.914 6.885 1.00 0.00 H new ATOM 445 N GLN A 28 -12.981 5.830 0.023 1.00 0.00 N ATOM 446 CA GLN A 28 -13.817 6.670 -0.890 1.00 0.00 C ATOM 447 C GLN A 28 -14.204 5.878 -2.147 1.00 0.00 C ATOM 448 O GLN A 28 -15.365 5.801 -2.498 1.00 0.00 O ATOM 449 CB GLN A 28 -12.935 7.867 -1.254 1.00 0.00 C ATOM 450 CG GLN A 28 -13.716 8.827 -2.153 1.00 0.00 C ATOM 451 CD GLN A 28 -14.346 9.930 -1.299 1.00 0.00 C ATOM 452 OE1 GLN A 28 -15.545 9.958 -1.110 1.00 0.00 O ATOM 453 NE2 GLN A 28 -13.581 10.846 -0.770 1.00 0.00 N ATOM 0 H GLN A 28 -12.072 6.227 0.262 1.00 0.00 H new ATOM 0 HA GLN A 28 -14.749 6.982 -0.419 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -12.612 8.382 -0.349 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -12.035 7.526 -1.765 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -13.052 9.265 -2.899 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -14.491 8.285 -2.695 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -12.574 10.823 -0.928 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -13.991 11.585 -0.198 1.00 0.00 H new ATOM 462 N GLU A 29 -13.251 5.281 -2.825 1.00 0.00 N ATOM 463 CA GLU A 29 -13.602 4.492 -4.048 1.00 0.00 C ATOM 464 C GLU A 29 -14.549 3.362 -3.640 1.00 0.00 C ATOM 465 O GLU A 29 -15.542 3.102 -4.291 1.00 0.00 O ATOM 466 CB GLU A 29 -12.272 3.954 -4.603 1.00 0.00 C ATOM 467 CG GLU A 29 -12.281 3.975 -6.142 1.00 0.00 C ATOM 468 CD GLU A 29 -13.669 3.617 -6.683 1.00 0.00 C ATOM 469 OE1 GLU A 29 -14.214 2.620 -6.246 1.00 0.00 O ATOM 470 OE2 GLU A 29 -14.161 4.349 -7.526 1.00 0.00 O ATOM 0 H GLU A 29 -12.259 5.305 -2.588 1.00 0.00 H new ATOM 0 HA GLU A 29 -14.108 5.084 -4.810 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -11.445 4.558 -4.230 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -12.109 2.936 -4.248 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.991 4.963 -6.498 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.544 3.269 -6.524 1.00 0.00 H new ATOM 477 N GLY A 30 -14.277 2.726 -2.532 1.00 0.00 N ATOM 478 CA GLY A 30 -15.186 1.657 -2.047 1.00 0.00 C ATOM 479 C GLY A 30 -14.858 0.302 -2.686 1.00 0.00 C ATOM 480 O GLY A 30 -15.661 -0.611 -2.653 1.00 0.00 O ATOM 0 H GLY A 30 -13.463 2.903 -1.944 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -15.108 1.577 -0.963 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -16.218 1.926 -2.273 1.00 0.00 H new ATOM 484 N LYS A 31 -13.695 0.151 -3.258 1.00 0.00 N ATOM 485 CA LYS A 31 -13.338 -1.160 -3.883 1.00 0.00 C ATOM 486 C LYS A 31 -12.802 -2.126 -2.823 1.00 0.00 C ATOM 487 O LYS A 31 -11.811 -1.852 -2.175 1.00 0.00 O ATOM 488 CB LYS A 31 -12.238 -0.834 -4.895 1.00 0.00 C ATOM 489 CG LYS A 31 -12.715 0.263 -5.860 1.00 0.00 C ATOM 490 CD LYS A 31 -14.122 -0.055 -6.386 1.00 0.00 C ATOM 491 CE LYS A 31 -14.157 -1.472 -6.968 1.00 0.00 C ATOM 492 NZ LYS A 31 -14.915 -1.345 -8.244 1.00 0.00 N ATOM 0 H LYS A 31 -12.978 0.873 -3.321 1.00 0.00 H new ATOM 0 HA LYS A 31 -14.200 -1.636 -4.349 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -11.339 -0.504 -4.373 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -11.971 -1.730 -5.455 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -12.721 1.226 -5.350 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -12.019 0.348 -6.695 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -14.849 0.033 -5.579 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -14.405 0.668 -7.151 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -13.150 -1.852 -7.143 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -14.646 -2.167 -6.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -14.938 -2.266 -8.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -15.887 -1.036 -8.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -14.450 -0.644 -8.856 1.00 0.00 H new ATOM 506 N GLU A 32 -13.437 -3.257 -2.640 1.00 0.00 N ATOM 507 CA GLU A 32 -12.929 -4.220 -1.617 1.00 0.00 C ATOM 508 C GLU A 32 -11.616 -4.839 -2.086 1.00 0.00 C ATOM 509 O GLU A 32 -11.598 -5.801 -2.828 1.00 0.00 O ATOM 510 CB GLU A 32 -13.993 -5.304 -1.446 1.00 0.00 C ATOM 511 CG GLU A 32 -14.428 -5.842 -2.814 1.00 0.00 C ATOM 512 CD GLU A 32 -14.520 -7.368 -2.760 1.00 0.00 C ATOM 513 OE1 GLU A 32 -15.405 -7.865 -2.083 1.00 0.00 O ATOM 514 OE2 GLU A 32 -13.704 -8.013 -3.397 1.00 0.00 O ATOM 0 H GLU A 32 -14.272 -3.552 -3.146 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.740 -3.714 -0.670 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -13.599 -6.117 -0.836 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -14.855 -4.897 -0.917 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -15.393 -5.419 -3.092 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.714 -5.538 -3.579 1.00 0.00 H new ATOM 521 N GLY A 33 -10.519 -4.292 -1.652 1.00 0.00 N ATOM 522 CA GLY A 33 -9.202 -4.829 -2.056 1.00 0.00 C ATOM 523 C GLY A 33 -8.465 -3.802 -2.915 1.00 0.00 C ATOM 524 O GLY A 33 -7.585 -4.145 -3.676 1.00 0.00 O ATOM 0 H GLY A 33 -10.482 -3.486 -1.027 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.610 -5.069 -1.173 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.333 -5.756 -2.614 1.00 0.00 H new ATOM 528 N GLY A 34 -8.805 -2.540 -2.801 1.00 0.00 N ATOM 529 CA GLY A 34 -8.107 -1.504 -3.617 1.00 0.00 C ATOM 530 C GLY A 34 -6.603 -1.651 -3.422 1.00 0.00 C ATOM 531 O GLY A 34 -6.154 -2.128 -2.400 1.00 0.00 O ATOM 0 H GLY A 34 -9.533 -2.187 -2.180 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.363 -1.618 -4.670 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.430 -0.507 -3.317 1.00 0.00 H new ATOM 535 N PHE A 35 -5.824 -1.271 -4.397 1.00 0.00 N ATOM 536 CA PHE A 35 -4.347 -1.417 -4.264 1.00 0.00 C ATOM 537 C PHE A 35 -3.620 -0.158 -4.750 1.00 0.00 C ATOM 538 O PHE A 35 -3.794 0.275 -5.873 1.00 0.00 O ATOM 539 CB PHE A 35 -4.005 -2.610 -5.157 1.00 0.00 C ATOM 540 CG PHE A 35 -2.526 -2.889 -5.084 1.00 0.00 C ATOM 541 CD1 PHE A 35 -1.630 -2.092 -5.806 1.00 0.00 C ATOM 542 CD2 PHE A 35 -2.049 -3.945 -4.300 1.00 0.00 C ATOM 543 CE1 PHE A 35 -0.256 -2.353 -5.746 1.00 0.00 C ATOM 544 CE2 PHE A 35 -0.676 -4.205 -4.237 1.00 0.00 C ATOM 545 CZ PHE A 35 0.221 -3.409 -4.961 1.00 0.00 C ATOM 0 H PHE A 35 -6.145 -0.867 -5.277 1.00 0.00 H new ATOM 0 HA PHE A 35 -4.040 -1.562 -3.228 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.567 -3.488 -4.839 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -4.296 -2.401 -6.187 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.999 -1.276 -6.409 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -2.741 -4.560 -3.743 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.435 -1.740 -6.305 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -0.308 -5.019 -3.630 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.281 -3.610 -4.913 1.00 0.00 H new ATOM 555 N ILE A 36 -2.794 0.422 -3.917 1.00 0.00 N ATOM 556 CA ILE A 36 -2.041 1.641 -4.334 1.00 0.00 C ATOM 557 C ILE A 36 -0.576 1.521 -3.908 1.00 0.00 C ATOM 558 O ILE A 36 -0.226 0.688 -3.095 1.00 0.00 O ATOM 559 CB ILE A 36 -2.712 2.801 -3.601 1.00 0.00 C ATOM 560 CG1 ILE A 36 -4.188 2.868 -3.993 1.00 0.00 C ATOM 561 CG2 ILE A 36 -2.023 4.113 -3.980 1.00 0.00 C ATOM 562 CD1 ILE A 36 -4.877 3.965 -3.184 1.00 0.00 C ATOM 0 H ILE A 36 -2.609 0.103 -2.966 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.055 1.782 -5.415 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.629 2.646 -2.525 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.284 3.072 -5.059 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.669 1.908 -3.808 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.502 4.940 -3.457 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -0.971 4.066 -3.698 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.104 4.269 -5.056 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.930 4.015 -3.462 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.792 3.741 -2.121 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.401 4.923 -3.392 1.00 0.00 H new ATOM 574 N VAL A 37 0.279 2.348 -4.445 1.00 0.00 N ATOM 575 CA VAL A 37 1.719 2.287 -4.066 1.00 0.00 C ATOM 576 C VAL A 37 2.348 3.679 -4.157 1.00 0.00 C ATOM 577 O VAL A 37 1.996 4.473 -5.010 1.00 0.00 O ATOM 578 CB VAL A 37 2.370 1.341 -5.078 1.00 0.00 C ATOM 579 CG1 VAL A 37 3.859 1.194 -4.754 1.00 0.00 C ATOM 580 CG2 VAL A 37 1.699 -0.033 -5.001 1.00 0.00 C ATOM 0 H VAL A 37 0.042 3.065 -5.131 1.00 0.00 H new ATOM 0 HA VAL A 37 1.855 1.938 -3.042 1.00 0.00 H new ATOM 0 HB VAL A 37 2.251 1.749 -6.082 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.323 0.520 -5.474 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.341 2.170 -4.807 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.974 0.787 -3.750 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.163 -0.706 -5.722 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.817 -0.440 -3.997 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.638 0.067 -5.229 1.00 0.00 H new ATOM 590 N ARG A 38 3.277 3.982 -3.290 1.00 0.00 N ATOM 591 CA ARG A 38 3.928 5.325 -3.336 1.00 0.00 C ATOM 592 C ARG A 38 5.408 5.214 -2.960 1.00 0.00 C ATOM 593 O ARG A 38 5.817 4.297 -2.274 1.00 0.00 O ATOM 594 CB ARG A 38 3.172 6.182 -2.317 1.00 0.00 C ATOM 595 CG ARG A 38 3.249 5.543 -0.926 1.00 0.00 C ATOM 596 CD ARG A 38 4.479 6.075 -0.188 1.00 0.00 C ATOM 597 NE ARG A 38 4.168 5.889 1.257 1.00 0.00 N ATOM 598 CZ ARG A 38 4.491 6.814 2.117 1.00 0.00 C ATOM 599 NH1 ARG A 38 4.137 8.052 1.908 1.00 0.00 N ATOM 600 NH2 ARG A 38 5.169 6.502 3.188 1.00 0.00 N ATOM 0 H ARG A 38 3.613 3.361 -2.554 1.00 0.00 H new ATOM 0 HA ARG A 38 3.889 5.762 -4.334 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.597 7.185 -2.288 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.130 6.286 -2.620 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.346 5.769 -0.360 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.306 4.458 -1.015 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.378 5.528 -0.472 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.657 7.125 -0.422 1.00 0.00 H new ATOM 0 HE ARG A 38 3.703 5.038 1.573 1.00 0.00 H new ATOM 0 HH11 ARG A 38 3.607 8.297 1.071 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.390 8.775 2.581 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.446 5.534 3.352 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.422 7.226 3.861 1.00 0.00 H new ATOM 614 N ASP A 39 6.213 6.141 -3.410 1.00 0.00 N ATOM 615 CA ASP A 39 7.670 6.091 -3.086 1.00 0.00 C ATOM 616 C ASP A 39 7.912 6.540 -1.641 1.00 0.00 C ATOM 617 O ASP A 39 7.077 7.181 -1.031 1.00 0.00 O ATOM 618 CB ASP A 39 8.329 7.063 -4.067 1.00 0.00 C ATOM 619 CG ASP A 39 9.794 6.672 -4.267 1.00 0.00 C ATOM 620 OD1 ASP A 39 10.410 6.247 -3.304 1.00 0.00 O ATOM 621 OD2 ASP A 39 10.275 6.805 -5.381 1.00 0.00 O ATOM 0 H ASP A 39 5.925 6.931 -3.988 1.00 0.00 H new ATOM 0 HA ASP A 39 8.076 5.083 -3.175 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.803 7.045 -5.022 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.262 8.082 -3.686 1.00 0.00 H new ATOM 626 N SER A 40 9.049 6.206 -1.092 1.00 0.00 N ATOM 627 CA SER A 40 9.353 6.609 0.314 1.00 0.00 C ATOM 628 C SER A 40 10.424 7.706 0.330 1.00 0.00 C ATOM 629 O SER A 40 10.550 8.473 -0.605 1.00 0.00 O ATOM 630 CB SER A 40 9.873 5.338 0.984 1.00 0.00 C ATOM 631 OG SER A 40 10.064 5.583 2.371 1.00 0.00 O ATOM 0 H SER A 40 9.782 5.671 -1.556 1.00 0.00 H new ATOM 0 HA SER A 40 8.481 7.012 0.828 1.00 0.00 H new ATOM 0 HB2 SER A 40 9.165 4.522 0.841 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.812 5.029 0.525 1.00 0.00 H new ATOM 0 HG SER A 40 9.239 5.374 2.857 1.00 0.00 H new ATOM 637 N SER A 41 11.196 7.788 1.385 1.00 0.00 N ATOM 638 CA SER A 41 12.253 8.839 1.455 1.00 0.00 C ATOM 639 C SER A 41 13.464 8.326 2.241 1.00 0.00 C ATOM 640 O SER A 41 14.567 8.272 1.733 1.00 0.00 O ATOM 641 CB SER A 41 11.598 10.010 2.184 1.00 0.00 C ATOM 642 OG SER A 41 10.858 10.788 1.253 1.00 0.00 O ATOM 0 H SER A 41 11.139 7.174 2.198 1.00 0.00 H new ATOM 0 HA SER A 41 12.616 9.124 0.468 1.00 0.00 H new ATOM 0 HB2 SER A 41 10.940 9.641 2.971 1.00 0.00 H new ATOM 0 HB3 SER A 41 12.358 10.625 2.666 1.00 0.00 H new ATOM 0 HG SER A 41 10.721 10.272 0.431 1.00 0.00 H new ATOM 648 N LYS A 42 13.267 7.950 3.479 1.00 0.00 N ATOM 649 CA LYS A 42 14.408 7.442 4.302 1.00 0.00 C ATOM 650 C LYS A 42 15.118 6.295 3.576 1.00 0.00 C ATOM 651 O LYS A 42 16.248 6.426 3.147 1.00 0.00 O ATOM 652 CB LYS A 42 13.769 6.944 5.599 1.00 0.00 C ATOM 653 CG LYS A 42 13.091 8.115 6.317 1.00 0.00 C ATOM 654 CD LYS A 42 11.811 7.624 6.998 1.00 0.00 C ATOM 655 CE LYS A 42 12.091 7.344 8.476 1.00 0.00 C ATOM 656 NZ LYS A 42 10.896 7.863 9.198 1.00 0.00 N ATOM 0 H LYS A 42 12.366 7.973 3.956 1.00 0.00 H new ATOM 0 HA LYS A 42 15.158 8.211 4.486 1.00 0.00 H new ATOM 0 HB2 LYS A 42 13.038 6.165 5.381 1.00 0.00 H new ATOM 0 HB3 LYS A 42 14.527 6.499 6.243 1.00 0.00 H new ATOM 0 HG2 LYS A 42 13.768 8.543 7.056 1.00 0.00 H new ATOM 0 HG3 LYS A 42 12.856 8.906 5.604 1.00 0.00 H new ATOM 0 HD2 LYS A 42 11.025 8.374 6.902 1.00 0.00 H new ATOM 0 HD3 LYS A 42 11.450 6.720 6.508 1.00 0.00 H new ATOM 0 HE2 LYS A 42 12.230 6.278 8.657 1.00 0.00 H new ATOM 0 HE3 LYS A 42 13.001 7.844 8.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 11.013 7.707 10.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 10.793 8.881 9.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 10.046 7.363 8.867 1.00 0.00 H new ATOM 670 N ALA A 43 14.460 5.176 3.430 1.00 0.00 N ATOM 671 CA ALA A 43 15.091 4.021 2.723 1.00 0.00 C ATOM 672 C ALA A 43 14.874 4.143 1.218 1.00 0.00 C ATOM 673 O ALA A 43 15.504 3.460 0.433 1.00 0.00 O ATOM 674 CB ALA A 43 14.361 2.782 3.243 1.00 0.00 C ATOM 0 H ALA A 43 13.512 5.011 3.769 1.00 0.00 H new ATOM 0 HA ALA A 43 16.165 3.977 2.902 1.00 0.00 H new ATOM 0 HB1 ALA A 43 14.771 1.891 2.767 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.491 2.709 4.323 1.00 0.00 H new ATOM 0 HB3 ALA A 43 13.299 2.861 3.010 1.00 0.00 H new ATOM 680 N GLY A 44 13.957 4.975 0.811 1.00 0.00 N ATOM 681 CA GLY A 44 13.670 5.100 -0.640 1.00 0.00 C ATOM 682 C GLY A 44 12.932 3.834 -1.071 1.00 0.00 C ATOM 683 O GLY A 44 13.014 3.403 -2.204 1.00 0.00 O ATOM 0 H GLY A 44 13.397 5.571 1.420 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.063 5.984 -0.836 1.00 0.00 H new ATOM 0 HA3 GLY A 44 14.595 5.216 -1.205 1.00 0.00 H new ATOM 687 N LYS A 45 12.217 3.231 -0.153 1.00 0.00 N ATOM 688 CA LYS A 45 11.476 1.983 -0.475 1.00 0.00 C ATOM 689 C LYS A 45 10.072 2.324 -0.981 1.00 0.00 C ATOM 690 O LYS A 45 9.725 3.479 -1.132 1.00 0.00 O ATOM 691 CB LYS A 45 11.401 1.214 0.846 1.00 0.00 C ATOM 692 CG LYS A 45 10.544 1.988 1.854 1.00 0.00 C ATOM 693 CD LYS A 45 11.171 1.886 3.247 1.00 0.00 C ATOM 694 CE LYS A 45 11.082 3.241 3.952 1.00 0.00 C ATOM 695 NZ LYS A 45 11.515 2.974 5.353 1.00 0.00 N ATOM 0 H LYS A 45 12.117 3.555 0.809 1.00 0.00 H new ATOM 0 HA LYS A 45 11.964 1.400 -1.256 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.975 0.225 0.677 1.00 0.00 H new ATOM 0 HB3 LYS A 45 12.403 1.065 1.247 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.467 3.033 1.554 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.531 1.586 1.870 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.656 1.125 3.834 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.213 1.575 3.166 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.726 3.978 3.473 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.067 3.637 3.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.481 3.857 5.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.879 2.273 5.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.487 2.605 5.351 1.00 0.00 H new ATOM 709 N TYR A 46 9.258 1.333 -1.237 1.00 0.00 N ATOM 710 CA TYR A 46 7.876 1.616 -1.729 1.00 0.00 C ATOM 711 C TYR A 46 6.842 1.170 -0.686 1.00 0.00 C ATOM 712 O TYR A 46 7.123 0.355 0.173 1.00 0.00 O ATOM 713 CB TYR A 46 7.713 0.795 -3.017 1.00 0.00 C ATOM 714 CG TYR A 46 8.880 1.023 -3.961 1.00 0.00 C ATOM 715 CD1 TYR A 46 9.604 2.222 -3.924 1.00 0.00 C ATOM 716 CD2 TYR A 46 9.234 0.026 -4.879 1.00 0.00 C ATOM 717 CE1 TYR A 46 10.678 2.422 -4.800 1.00 0.00 C ATOM 718 CE2 TYR A 46 10.308 0.226 -5.755 1.00 0.00 C ATOM 719 CZ TYR A 46 11.029 1.424 -5.715 1.00 0.00 C ATOM 720 OH TYR A 46 12.088 1.621 -6.578 1.00 0.00 O ATOM 0 H TYR A 46 9.488 0.345 -1.128 1.00 0.00 H new ATOM 0 HA TYR A 46 7.724 2.680 -1.908 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.642 -0.264 -2.770 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.782 1.070 -3.512 1.00 0.00 H new ATOM 0 HD1 TYR A 46 9.333 2.994 -3.218 1.00 0.00 H new ATOM 0 HD2 TYR A 46 8.677 -0.899 -4.911 1.00 0.00 H new ATOM 0 HE1 TYR A 46 11.235 3.347 -4.769 1.00 0.00 H new ATOM 0 HE2 TYR A 46 10.580 -0.545 -6.461 1.00 0.00 H new ATOM 0 HH TYR A 46 12.198 0.830 -7.146 1.00 0.00 H new ATOM 730 N THR A 47 5.644 1.690 -0.768 1.00 0.00 N ATOM 731 CA THR A 47 4.582 1.291 0.203 1.00 0.00 C ATOM 732 C THR A 47 3.317 0.901 -0.560 1.00 0.00 C ATOM 733 O THR A 47 2.870 1.618 -1.430 1.00 0.00 O ATOM 734 CB THR A 47 4.332 2.529 1.073 1.00 0.00 C ATOM 735 OG1 THR A 47 5.497 2.811 1.835 1.00 0.00 O ATOM 736 CG2 THR A 47 3.150 2.272 2.019 1.00 0.00 C ATOM 0 H THR A 47 5.355 2.375 -1.467 1.00 0.00 H new ATOM 0 HA THR A 47 4.874 0.435 0.811 1.00 0.00 H new ATOM 0 HB THR A 47 4.098 3.379 0.432 1.00 0.00 H new ATOM 0 HG1 THR A 47 5.341 3.603 2.391 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.978 3.155 2.634 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.256 2.057 1.434 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.376 1.421 2.661 1.00 0.00 H new ATOM 744 N VAL A 48 2.741 -0.229 -0.245 1.00 0.00 N ATOM 745 CA VAL A 48 1.507 -0.662 -0.968 1.00 0.00 C ATOM 746 C VAL A 48 0.262 -0.384 -0.119 1.00 0.00 C ATOM 747 O VAL A 48 0.047 -1.003 0.904 1.00 0.00 O ATOM 748 CB VAL A 48 1.688 -2.164 -1.191 1.00 0.00 C ATOM 749 CG1 VAL A 48 0.460 -2.730 -1.905 1.00 0.00 C ATOM 750 CG2 VAL A 48 2.930 -2.404 -2.053 1.00 0.00 C ATOM 0 H VAL A 48 3.069 -0.869 0.478 1.00 0.00 H new ATOM 0 HA VAL A 48 1.369 -0.125 -1.906 1.00 0.00 H new ATOM 0 HB VAL A 48 1.808 -2.660 -0.228 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.592 -3.800 -2.063 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.427 -2.560 -1.294 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.338 -2.234 -2.868 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.061 -3.474 -2.213 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.807 -1.906 -3.015 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.808 -2.003 -1.546 1.00 0.00 H new ATOM 760 N SER A 49 -0.559 0.540 -0.541 1.00 0.00 N ATOM 761 CA SER A 49 -1.794 0.864 0.233 1.00 0.00 C ATOM 762 C SER A 49 -2.997 0.115 -0.343 1.00 0.00 C ATOM 763 O SER A 49 -3.453 0.412 -1.431 1.00 0.00 O ATOM 764 CB SER A 49 -1.981 2.371 0.061 1.00 0.00 C ATOM 765 OG SER A 49 -1.289 3.054 1.099 1.00 0.00 O ATOM 0 H SER A 49 -0.427 1.087 -1.392 1.00 0.00 H new ATOM 0 HA SER A 49 -1.709 0.574 1.280 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.604 2.687 -0.912 1.00 0.00 H new ATOM 0 HB3 SER A 49 -3.041 2.623 0.089 1.00 0.00 H new ATOM 0 HG SER A 49 -1.829 3.040 1.917 1.00 0.00 H new ATOM 771 N VAL A 50 -3.522 -0.848 0.368 1.00 0.00 N ATOM 772 CA VAL A 50 -4.700 -1.595 -0.164 1.00 0.00 C ATOM 773 C VAL A 50 -5.856 -1.564 0.843 1.00 0.00 C ATOM 774 O VAL A 50 -5.646 -1.656 2.038 1.00 0.00 O ATOM 775 CB VAL A 50 -4.210 -3.031 -0.376 1.00 0.00 C ATOM 776 CG1 VAL A 50 -3.090 -3.044 -1.418 1.00 0.00 C ATOM 777 CG2 VAL A 50 -3.683 -3.601 0.944 1.00 0.00 C ATOM 0 H VAL A 50 -3.190 -1.148 1.285 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.075 -1.155 -1.088 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.041 -3.643 -0.727 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.743 -4.067 -1.567 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.466 -2.647 -2.361 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.262 -2.427 -1.069 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.336 -4.622 0.787 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.856 -2.988 1.301 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.482 -3.599 1.686 1.00 0.00 H new ATOM 787 N PHE A 51 -7.077 -1.429 0.382 1.00 0.00 N ATOM 788 CA PHE A 51 -8.223 -1.394 1.343 1.00 0.00 C ATOM 789 C PHE A 51 -9.400 -2.234 0.831 1.00 0.00 C ATOM 790 O PHE A 51 -9.433 -2.638 -0.309 1.00 0.00 O ATOM 791 CB PHE A 51 -8.616 0.089 1.443 1.00 0.00 C ATOM 792 CG PHE A 51 -10.072 0.273 1.066 1.00 0.00 C ATOM 793 CD1 PHE A 51 -10.452 0.249 -0.280 1.00 0.00 C ATOM 794 CD2 PHE A 51 -11.042 0.452 2.063 1.00 0.00 C ATOM 795 CE1 PHE A 51 -11.797 0.404 -0.629 1.00 0.00 C ATOM 796 CE2 PHE A 51 -12.386 0.603 1.712 1.00 0.00 C ATOM 797 CZ PHE A 51 -12.764 0.580 0.366 1.00 0.00 C ATOM 0 H PHE A 51 -7.327 -1.343 -0.603 1.00 0.00 H new ATOM 0 HA PHE A 51 -7.950 -1.812 2.312 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -8.448 0.449 2.458 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -7.984 0.685 0.784 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -9.707 0.111 -1.049 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -10.750 0.473 3.103 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -12.090 0.388 -1.668 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -13.133 0.737 2.480 1.00 0.00 H new ATOM 0 HZ PHE A 51 -13.803 0.698 0.095 1.00 0.00 H new ATOM 807 N ALA A 52 -10.381 -2.462 1.671 1.00 0.00 N ATOM 808 CA ALA A 52 -11.582 -3.238 1.241 1.00 0.00 C ATOM 809 C ALA A 52 -12.738 -3.027 2.219 1.00 0.00 C ATOM 810 O ALA A 52 -12.560 -2.514 3.301 1.00 0.00 O ATOM 811 CB ALA A 52 -11.167 -4.706 1.237 1.00 0.00 C ATOM 0 H ALA A 52 -10.399 -2.142 2.639 1.00 0.00 H new ATOM 0 HA ALA A 52 -11.922 -2.914 0.257 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -12.012 -5.322 0.928 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -10.340 -4.849 0.541 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.852 -4.998 2.239 1.00 0.00 H new ATOM 817 N LYS A 53 -13.923 -3.420 1.842 1.00 0.00 N ATOM 818 CA LYS A 53 -15.095 -3.242 2.745 1.00 0.00 C ATOM 819 C LYS A 53 -15.766 -4.596 3.016 1.00 0.00 C ATOM 820 O LYS A 53 -16.950 -4.761 2.795 1.00 0.00 O ATOM 821 CB LYS A 53 -16.036 -2.331 1.961 1.00 0.00 C ATOM 822 CG LYS A 53 -15.618 -0.875 2.168 1.00 0.00 C ATOM 823 CD LYS A 53 -16.711 0.055 1.641 1.00 0.00 C ATOM 824 CE LYS A 53 -17.927 0.005 2.569 1.00 0.00 C ATOM 825 NZ LYS A 53 -18.981 0.782 1.861 1.00 0.00 N ATOM 0 H LYS A 53 -14.131 -3.858 0.945 1.00 0.00 H new ATOM 0 HA LYS A 53 -14.820 -2.826 3.714 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -16.005 -2.583 0.901 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -17.064 -2.477 2.294 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -15.444 -0.684 3.227 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -14.679 -0.679 1.650 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -16.333 1.075 1.577 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -16.999 -0.242 0.633 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -18.246 -1.022 2.747 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -17.700 0.442 3.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -19.848 0.794 2.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -18.652 1.757 1.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -19.181 0.339 0.942 1.00 0.00 H new ATOM 839 N SER A 54 -15.025 -5.570 3.487 1.00 0.00 N ATOM 840 CA SER A 54 -15.640 -6.907 3.761 1.00 0.00 C ATOM 841 C SER A 54 -14.664 -7.823 4.512 1.00 0.00 C ATOM 842 O SER A 54 -14.143 -8.773 3.963 1.00 0.00 O ATOM 843 CB SER A 54 -15.963 -7.482 2.380 1.00 0.00 C ATOM 844 OG SER A 54 -17.298 -7.974 2.379 1.00 0.00 O ATOM 0 H SER A 54 -14.028 -5.498 3.692 1.00 0.00 H new ATOM 0 HA SER A 54 -16.525 -6.823 4.392 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.845 -6.713 1.616 1.00 0.00 H new ATOM 0 HB3 SER A 54 -15.267 -8.284 2.135 1.00 0.00 H new ATOM 0 HG SER A 54 -17.510 -8.342 1.496 1.00 0.00 H new ATOM 850 N THR A 55 -14.425 -7.550 5.770 1.00 0.00 N ATOM 851 CA THR A 55 -13.495 -8.404 6.581 1.00 0.00 C ATOM 852 C THR A 55 -13.374 -7.800 7.986 1.00 0.00 C ATOM 853 O THR A 55 -14.363 -7.667 8.681 1.00 0.00 O ATOM 854 CB THR A 55 -12.148 -8.401 5.837 1.00 0.00 C ATOM 855 OG1 THR A 55 -11.145 -8.956 6.676 1.00 0.00 O ATOM 856 CG2 THR A 55 -11.757 -6.973 5.454 1.00 0.00 C ATOM 0 H THR A 55 -14.836 -6.766 6.277 1.00 0.00 H new ATOM 0 HA THR A 55 -13.850 -9.428 6.696 1.00 0.00 H new ATOM 0 HB THR A 55 -12.243 -8.997 4.929 1.00 0.00 H new ATOM 0 HG1 THR A 55 -10.287 -8.957 6.203 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.802 -6.986 4.928 1.00 0.00 H new ATOM 0 HG22 THR A 55 -12.523 -6.548 4.805 1.00 0.00 H new ATOM 0 HG23 THR A 55 -11.667 -6.366 6.355 1.00 0.00 H new ATOM 864 N GLY A 56 -12.194 -7.408 8.417 1.00 0.00 N ATOM 865 CA GLY A 56 -12.070 -6.791 9.773 1.00 0.00 C ATOM 866 C GLY A 56 -13.109 -5.674 9.877 1.00 0.00 C ATOM 867 O GLY A 56 -13.705 -5.448 10.911 1.00 0.00 O ATOM 0 H GLY A 56 -11.323 -7.489 7.892 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.234 -7.539 10.549 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -11.066 -6.393 9.921 1.00 0.00 H new ATOM 871 N ASP A 57 -13.342 -4.998 8.784 1.00 0.00 N ATOM 872 CA ASP A 57 -14.354 -3.914 8.755 1.00 0.00 C ATOM 873 C ASP A 57 -15.241 -4.107 7.516 1.00 0.00 C ATOM 874 O ASP A 57 -14.834 -3.785 6.418 1.00 0.00 O ATOM 875 CB ASP A 57 -13.549 -2.631 8.626 1.00 0.00 C ATOM 876 CG ASP A 57 -14.255 -1.502 9.379 1.00 0.00 C ATOM 877 OD1 ASP A 57 -14.209 -1.512 10.598 1.00 0.00 O ATOM 878 OD2 ASP A 57 -14.828 -0.648 8.725 1.00 0.00 O ATOM 0 H ASP A 57 -12.863 -5.157 7.898 1.00 0.00 H new ATOM 0 HA ASP A 57 -14.995 -3.901 9.636 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.546 -2.777 9.027 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.436 -2.365 7.575 1.00 0.00 H new ATOM 883 N PRO A 58 -16.416 -4.641 7.716 1.00 0.00 N ATOM 884 CA PRO A 58 -17.341 -4.890 6.584 1.00 0.00 C ATOM 885 C PRO A 58 -17.624 -3.618 5.785 1.00 0.00 C ATOM 886 O PRO A 58 -18.094 -3.676 4.666 1.00 0.00 O ATOM 887 CB PRO A 58 -18.603 -5.379 7.290 1.00 0.00 C ATOM 888 CG PRO A 58 -18.343 -5.423 8.807 1.00 0.00 C ATOM 889 CD PRO A 58 -16.892 -5.016 9.069 1.00 0.00 C ATOM 0 HA PRO A 58 -16.939 -5.594 5.856 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -19.439 -4.715 7.070 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -18.878 -6.369 6.926 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -19.024 -4.749 9.327 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -18.530 -6.425 9.193 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -16.824 -4.183 9.769 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -16.310 -5.835 9.491 1.00 0.00 H new ATOM 897 N GLN A 59 -17.372 -2.475 6.350 1.00 0.00 N ATOM 898 CA GLN A 59 -17.665 -1.210 5.613 1.00 0.00 C ATOM 899 C GLN A 59 -16.435 -0.298 5.501 1.00 0.00 C ATOM 900 O GLN A 59 -16.570 0.909 5.462 1.00 0.00 O ATOM 901 CB GLN A 59 -18.753 -0.523 6.438 1.00 0.00 C ATOM 902 CG GLN A 59 -18.300 -0.432 7.895 1.00 0.00 C ATOM 903 CD GLN A 59 -19.179 0.569 8.646 1.00 0.00 C ATOM 904 OE1 GLN A 59 -18.749 1.663 8.954 1.00 0.00 O ATOM 905 NE2 GLN A 59 -20.403 0.239 8.957 1.00 0.00 N ATOM 0 H GLN A 59 -16.979 -2.357 7.284 1.00 0.00 H new ATOM 0 HA GLN A 59 -17.970 -1.419 4.588 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -18.950 0.474 6.043 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -19.686 -1.083 6.369 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -18.363 -1.412 8.367 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -17.256 -0.122 7.943 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -20.765 -0.679 8.699 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -20.998 0.899 9.458 1.00 0.00 H new ATOM 914 N GLY A 60 -15.245 -0.838 5.420 1.00 0.00 N ATOM 915 CA GLY A 60 -14.061 0.053 5.279 1.00 0.00 C ATOM 916 C GLY A 60 -12.803 -0.572 5.892 1.00 0.00 C ATOM 917 O GLY A 60 -12.619 -0.566 7.093 1.00 0.00 O ATOM 0 H GLY A 60 -15.047 -1.838 5.445 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -13.886 0.261 4.223 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -14.265 1.008 5.763 1.00 0.00 H new ATOM 921 N VAL A 61 -11.922 -1.089 5.071 1.00 0.00 N ATOM 922 CA VAL A 61 -10.663 -1.695 5.603 1.00 0.00 C ATOM 923 C VAL A 61 -9.469 -1.211 4.809 1.00 0.00 C ATOM 924 O VAL A 61 -9.514 -1.099 3.611 1.00 0.00 O ATOM 925 CB VAL A 61 -10.806 -3.204 5.425 1.00 0.00 C ATOM 926 CG1 VAL A 61 -9.572 -3.903 6.008 1.00 0.00 C ATOM 927 CG2 VAL A 61 -12.060 -3.686 6.140 1.00 0.00 C ATOM 0 H VAL A 61 -12.021 -1.117 4.056 1.00 0.00 H new ATOM 0 HA VAL A 61 -10.509 -1.419 6.646 1.00 0.00 H new ATOM 0 HB VAL A 61 -10.888 -3.441 4.364 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -9.671 -4.981 5.882 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -8.679 -3.558 5.488 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -9.488 -3.668 7.069 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -12.160 -4.764 6.012 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -11.986 -3.452 7.202 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -12.933 -3.188 5.719 1.00 0.00 H new ATOM 937 N ILE A 62 -8.406 -0.906 5.484 1.00 0.00 N ATOM 938 CA ILE A 62 -7.193 -0.396 4.784 1.00 0.00 C ATOM 939 C ILE A 62 -5.910 -0.895 5.453 1.00 0.00 C ATOM 940 O ILE A 62 -5.902 -1.285 6.604 1.00 0.00 O ATOM 941 CB ILE A 62 -7.290 1.129 4.896 1.00 0.00 C ATOM 942 CG1 ILE A 62 -8.745 1.515 5.215 1.00 0.00 C ATOM 943 CG2 ILE A 62 -6.846 1.760 3.571 1.00 0.00 C ATOM 944 CD1 ILE A 62 -8.917 3.025 5.216 1.00 0.00 C ATOM 0 H ILE A 62 -8.319 -0.987 6.497 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.152 -0.741 3.751 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.642 1.493 5.694 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -9.414 1.069 4.479 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -9.028 1.112 6.188 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -6.913 2.845 3.644 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.816 1.473 3.359 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -7.493 1.410 2.767 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -9.954 3.273 5.444 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -8.264 3.465 5.970 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -8.656 3.422 4.235 1.00 0.00 H new ATOM 956 N ARG A 63 -4.825 -0.871 4.728 1.00 0.00 N ATOM 957 CA ARG A 63 -3.520 -1.327 5.288 1.00 0.00 C ATOM 958 C ARG A 63 -2.405 -1.017 4.286 1.00 0.00 C ATOM 959 O ARG A 63 -2.445 -1.452 3.149 1.00 0.00 O ATOM 960 CB ARG A 63 -3.673 -2.838 5.485 1.00 0.00 C ATOM 961 CG ARG A 63 -3.126 -3.238 6.860 1.00 0.00 C ATOM 962 CD ARG A 63 -4.161 -4.093 7.596 1.00 0.00 C ATOM 963 NE ARG A 63 -4.133 -5.410 6.902 1.00 0.00 N ATOM 964 CZ ARG A 63 -5.222 -5.886 6.360 1.00 0.00 C ATOM 965 NH1 ARG A 63 -6.031 -6.627 7.067 1.00 0.00 N ATOM 966 NH2 ARG A 63 -5.500 -5.621 5.114 1.00 0.00 N ATOM 0 H ARG A 63 -4.787 -0.551 3.760 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.264 -0.830 6.224 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -4.723 -3.120 5.404 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -3.138 -3.373 4.700 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.196 -3.794 6.745 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.894 -2.347 7.444 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -3.909 -4.197 8.651 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.152 -3.642 7.548 1.00 0.00 H new ATOM 0 HE ARG A 63 -3.263 -5.941 6.850 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -5.813 -6.834 8.042 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -6.882 -6.999 6.645 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.867 -5.042 4.562 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -6.350 -5.993 4.691 1.00 0.00 H new ATOM 980 N HIS A 64 -1.419 -0.257 4.686 1.00 0.00 N ATOM 981 CA HIS A 64 -0.318 0.085 3.736 1.00 0.00 C ATOM 982 C HIS A 64 0.895 -0.808 3.972 1.00 0.00 C ATOM 983 O HIS A 64 1.640 -0.626 4.916 1.00 0.00 O ATOM 984 CB HIS A 64 0.052 1.548 4.011 1.00 0.00 C ATOM 985 CG HIS A 64 -1.187 2.349 4.306 1.00 0.00 C ATOM 986 ND1 HIS A 64 -2.239 2.439 3.410 1.00 0.00 N ATOM 987 CD2 HIS A 64 -1.558 3.094 5.397 1.00 0.00 C ATOM 988 CE1 HIS A 64 -3.184 3.213 3.971 1.00 0.00 C ATOM 989 NE2 HIS A 64 -2.820 3.639 5.183 1.00 0.00 N ATOM 0 H HIS A 64 -1.328 0.139 5.622 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.637 -0.063 2.704 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.740 1.605 4.854 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.569 1.968 3.149 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -0.961 3.236 6.286 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -4.123 3.460 3.499 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -3.353 4.236 5.816 1.00 0.00 H new ATOM 997 N TYR A 65 1.112 -1.757 3.108 1.00 0.00 N ATOM 998 CA TYR A 65 2.295 -2.645 3.262 1.00 0.00 C ATOM 999 C TYR A 65 3.520 -1.921 2.731 1.00 0.00 C ATOM 1000 O TYR A 65 3.565 -1.530 1.585 1.00 0.00 O ATOM 1001 CB TYR A 65 2.016 -3.864 2.394 1.00 0.00 C ATOM 1002 CG TYR A 65 0.611 -4.379 2.632 1.00 0.00 C ATOM 1003 CD1 TYR A 65 0.059 -4.358 3.921 1.00 0.00 C ATOM 1004 CD2 TYR A 65 -0.136 -4.886 1.562 1.00 0.00 C ATOM 1005 CE1 TYR A 65 -1.236 -4.842 4.136 1.00 0.00 C ATOM 1006 CE2 TYR A 65 -1.430 -5.372 1.780 1.00 0.00 C ATOM 1007 CZ TYR A 65 -1.980 -5.350 3.066 1.00 0.00 C ATOM 1008 OH TYR A 65 -3.256 -5.830 3.280 1.00 0.00 O ATOM 0 H TYR A 65 0.521 -1.956 2.301 1.00 0.00 H new ATOM 0 HA TYR A 65 2.470 -2.922 4.302 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.141 -3.605 1.343 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.739 -4.649 2.617 1.00 0.00 H new ATOM 0 HD1 TYR A 65 0.634 -3.968 4.748 1.00 0.00 H new ATOM 0 HD2 TYR A 65 0.286 -4.902 0.568 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -1.661 -4.823 5.129 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -2.005 -5.765 0.954 1.00 0.00 H new ATOM 0 HH TYR A 65 -3.634 -6.145 2.432 1.00 0.00 H new ATOM 1018 N VAL A 66 4.510 -1.739 3.540 1.00 0.00 N ATOM 1019 CA VAL A 66 5.724 -1.029 3.055 1.00 0.00 C ATOM 1020 C VAL A 66 6.902 -1.989 2.989 1.00 0.00 C ATOM 1021 O VAL A 66 6.856 -3.080 3.518 1.00 0.00 O ATOM 1022 CB VAL A 66 6.002 0.077 4.073 1.00 0.00 C ATOM 1023 CG1 VAL A 66 7.142 0.958 3.551 1.00 0.00 C ATOM 1024 CG2 VAL A 66 4.744 0.932 4.272 1.00 0.00 C ATOM 0 H VAL A 66 4.539 -2.046 4.512 1.00 0.00 H new ATOM 0 HA VAL A 66 5.576 -0.623 2.054 1.00 0.00 H new ATOM 0 HB VAL A 66 6.283 -0.368 5.028 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.348 1.750 4.270 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.037 0.351 3.413 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.853 1.400 2.597 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.949 1.718 4.999 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.456 1.382 3.322 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.931 0.304 4.637 1.00 0.00 H new ATOM 1034 N VAL A 67 7.958 -1.592 2.344 1.00 0.00 N ATOM 1035 CA VAL A 67 9.136 -2.488 2.252 1.00 0.00 C ATOM 1036 C VAL A 67 10.354 -1.842 2.907 1.00 0.00 C ATOM 1037 O VAL A 67 10.716 -0.725 2.606 1.00 0.00 O ATOM 1038 CB VAL A 67 9.376 -2.677 0.758 1.00 0.00 C ATOM 1039 CG1 VAL A 67 10.617 -3.548 0.559 1.00 0.00 C ATOM 1040 CG2 VAL A 67 8.158 -3.358 0.128 1.00 0.00 C ATOM 0 H VAL A 67 8.056 -0.690 1.879 1.00 0.00 H new ATOM 0 HA VAL A 67 8.967 -3.435 2.764 1.00 0.00 H new ATOM 0 HB VAL A 67 9.530 -1.709 0.282 1.00 0.00 H new ATOM 0 HG11 VAL A 67 10.796 -3.688 -0.507 1.00 0.00 H new ATOM 0 HG12 VAL A 67 11.480 -3.060 1.011 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.460 -4.518 1.031 1.00 0.00 H new ATOM 0 HG21 VAL A 67 8.329 -3.493 -0.940 1.00 0.00 H new ATOM 0 HG22 VAL A 67 8.002 -4.330 0.597 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.275 -2.736 0.278 1.00 0.00 H new ATOM 1050 N CYS A 68 10.999 -2.551 3.788 1.00 0.00 N ATOM 1051 CA CYS A 68 12.207 -1.998 4.450 1.00 0.00 C ATOM 1052 C CYS A 68 13.432 -2.345 3.604 1.00 0.00 C ATOM 1053 O CYS A 68 13.375 -3.219 2.764 1.00 0.00 O ATOM 1054 CB CYS A 68 12.265 -2.686 5.812 1.00 0.00 C ATOM 1055 SG CYS A 68 13.593 -1.958 6.803 1.00 0.00 S ATOM 0 H CYS A 68 10.739 -3.494 4.078 1.00 0.00 H new ATOM 0 HA CYS A 68 12.181 -0.914 4.561 1.00 0.00 H new ATOM 0 HB2 CYS A 68 11.311 -2.576 6.327 1.00 0.00 H new ATOM 0 HB3 CYS A 68 12.437 -3.755 5.684 1.00 0.00 H new ATOM 0 HG CYS A 68 14.380 -2.899 7.232 1.00 0.00 H new ATOM 1061 N SER A 69 14.531 -1.668 3.798 1.00 0.00 N ATOM 1062 CA SER A 69 15.734 -1.977 2.972 1.00 0.00 C ATOM 1063 C SER A 69 17.008 -1.987 3.819 1.00 0.00 C ATOM 1064 O SER A 69 17.281 -1.069 4.567 1.00 0.00 O ATOM 1065 CB SER A 69 15.801 -0.860 1.930 1.00 0.00 C ATOM 1066 OG SER A 69 15.241 0.328 2.471 1.00 0.00 O ATOM 0 H SER A 69 14.648 -0.923 4.484 1.00 0.00 H new ATOM 0 HA SER A 69 15.660 -2.966 2.520 1.00 0.00 H new ATOM 0 HB2 SER A 69 16.836 -0.685 1.635 1.00 0.00 H new ATOM 0 HB3 SER A 69 15.259 -1.154 1.031 1.00 0.00 H new ATOM 0 HG SER A 69 14.266 0.303 2.375 1.00 0.00 H new ATOM 1072 N THR A 70 17.796 -3.018 3.681 1.00 0.00 N ATOM 1073 CA THR A 70 19.073 -3.103 4.444 1.00 0.00 C ATOM 1074 C THR A 70 20.231 -2.695 3.517 1.00 0.00 C ATOM 1075 O THR A 70 20.092 -2.761 2.311 1.00 0.00 O ATOM 1076 CB THR A 70 19.179 -4.572 4.876 1.00 0.00 C ATOM 1077 OG1 THR A 70 20.311 -4.745 5.711 1.00 0.00 O ATOM 1078 CG2 THR A 70 19.311 -5.471 3.648 1.00 0.00 C ATOM 0 H THR A 70 17.608 -3.811 3.068 1.00 0.00 H new ATOM 0 HA THR A 70 19.110 -2.443 5.311 1.00 0.00 H new ATOM 0 HB THR A 70 18.277 -4.844 5.424 1.00 0.00 H new ATOM 0 HG1 THR A 70 20.374 -5.683 5.986 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.386 -6.511 3.965 1.00 0.00 H new ATOM 0 HG22 THR A 70 18.435 -5.348 3.011 1.00 0.00 H new ATOM 0 HG23 THR A 70 20.207 -5.196 3.091 1.00 0.00 H new ATOM 1086 N PRO A 71 21.329 -2.260 4.090 1.00 0.00 N ATOM 1087 CA PRO A 71 22.486 -1.815 3.272 1.00 0.00 C ATOM 1088 C PRO A 71 23.111 -2.946 2.445 1.00 0.00 C ATOM 1089 O PRO A 71 24.088 -2.735 1.755 1.00 0.00 O ATOM 1090 CB PRO A 71 23.466 -1.294 4.327 1.00 0.00 C ATOM 1091 CG PRO A 71 22.830 -1.464 5.721 1.00 0.00 C ATOM 1092 CD PRO A 71 21.479 -2.175 5.564 1.00 0.00 C ATOM 0 HA PRO A 71 22.200 -1.073 2.526 1.00 0.00 H new ATOM 0 HB2 PRO A 71 24.407 -1.842 4.272 1.00 0.00 H new ATOM 0 HB3 PRO A 71 23.697 -0.245 4.143 1.00 0.00 H new ATOM 0 HG2 PRO A 71 23.488 -2.043 6.368 1.00 0.00 H new ATOM 0 HG3 PRO A 71 22.692 -0.492 6.194 1.00 0.00 H new ATOM 0 HD2 PRO A 71 21.483 -3.161 6.029 1.00 0.00 H new ATOM 0 HD3 PRO A 71 20.667 -1.610 6.022 1.00 0.00 H new ATOM 1100 N GLN A 72 22.562 -4.128 2.478 1.00 0.00 N ATOM 1101 CA GLN A 72 23.146 -5.225 1.656 1.00 0.00 C ATOM 1102 C GLN A 72 22.389 -5.310 0.323 1.00 0.00 C ATOM 1103 O GLN A 72 22.349 -6.339 -0.319 1.00 0.00 O ATOM 1104 CB GLN A 72 22.954 -6.490 2.502 1.00 0.00 C ATOM 1105 CG GLN A 72 23.461 -7.725 1.746 1.00 0.00 C ATOM 1106 CD GLN A 72 24.910 -7.505 1.302 1.00 0.00 C ATOM 1107 OE1 GLN A 72 25.638 -6.751 1.917 1.00 0.00 O ATOM 1108 NE2 GLN A 72 25.361 -8.137 0.254 1.00 0.00 N ATOM 0 H GLN A 72 21.744 -4.381 3.032 1.00 0.00 H new ATOM 0 HA GLN A 72 24.198 -5.075 1.411 1.00 0.00 H new ATOM 0 HB2 GLN A 72 23.490 -6.388 3.445 1.00 0.00 H new ATOM 0 HB3 GLN A 72 21.899 -6.614 2.747 1.00 0.00 H new ATOM 0 HG2 GLN A 72 23.397 -8.605 2.385 1.00 0.00 H new ATOM 0 HG3 GLN A 72 22.830 -7.915 0.878 1.00 0.00 H new ATOM 0 HE21 GLN A 72 24.750 -8.770 -0.262 1.00 0.00 H new ATOM 0 HE22 GLN A 72 26.325 -7.998 -0.049 1.00 0.00 H new ATOM 1117 N SER A 73 21.781 -4.222 -0.095 1.00 0.00 N ATOM 1118 CA SER A 73 21.011 -4.227 -1.376 1.00 0.00 C ATOM 1119 C SER A 73 19.857 -5.219 -1.260 1.00 0.00 C ATOM 1120 O SER A 73 19.635 -6.040 -2.128 1.00 0.00 O ATOM 1121 CB SER A 73 22.005 -4.670 -2.455 1.00 0.00 C ATOM 1122 OG SER A 73 21.894 -3.807 -3.579 1.00 0.00 O ATOM 0 H SER A 73 21.787 -3.330 0.400 1.00 0.00 H new ATOM 0 HA SER A 73 20.586 -3.252 -1.615 1.00 0.00 H new ATOM 0 HB2 SER A 73 23.021 -4.645 -2.062 1.00 0.00 H new ATOM 0 HB3 SER A 73 21.803 -5.699 -2.751 1.00 0.00 H new ATOM 0 HG SER A 73 22.530 -4.087 -4.270 1.00 0.00 H new ATOM 1128 N GLN A 74 19.136 -5.164 -0.170 1.00 0.00 N ATOM 1129 CA GLN A 74 18.009 -6.120 0.036 1.00 0.00 C ATOM 1130 C GLN A 74 16.774 -5.382 0.568 1.00 0.00 C ATOM 1131 O GLN A 74 16.849 -4.235 0.962 1.00 0.00 O ATOM 1132 CB GLN A 74 18.524 -7.125 1.071 1.00 0.00 C ATOM 1133 CG GLN A 74 20.056 -7.139 1.071 1.00 0.00 C ATOM 1134 CD GLN A 74 20.560 -8.425 1.732 1.00 0.00 C ATOM 1135 OE1 GLN A 74 20.629 -8.496 3.033 1.00 0.00 O flip ATOM 1136 NE2 GLN A 74 20.893 -9.377 1.055 1.00 0.00 N flip ATOM 0 H GLN A 74 19.280 -4.496 0.588 1.00 0.00 H new ATOM 0 HA GLN A 74 17.709 -6.608 -0.891 1.00 0.00 H new ATOM 0 HB2 GLN A 74 18.155 -6.861 2.062 1.00 0.00 H new ATOM 0 HB3 GLN A 74 18.143 -8.121 0.844 1.00 0.00 H new ATOM 0 HG2 GLN A 74 20.430 -7.073 0.049 1.00 0.00 H new ATOM 0 HG3 GLN A 74 20.437 -6.270 1.607 1.00 0.00 H new ATOM 0 HE21 GLN A 74 20.840 -9.323 0.038 1.00 0.00 H new ATOM 0 HE22 GLN A 74 21.226 -10.230 1.504 1.00 0.00 H new ATOM 1145 N TYR A 75 15.632 -6.028 0.562 1.00 0.00 N ATOM 1146 CA TYR A 75 14.384 -5.346 1.049 1.00 0.00 C ATOM 1147 C TYR A 75 13.426 -6.340 1.719 1.00 0.00 C ATOM 1148 O TYR A 75 13.479 -7.523 1.474 1.00 0.00 O ATOM 1149 CB TYR A 75 13.716 -4.775 -0.203 1.00 0.00 C ATOM 1150 CG TYR A 75 14.711 -3.985 -1.017 1.00 0.00 C ATOM 1151 CD1 TYR A 75 15.596 -4.648 -1.870 1.00 0.00 C ATOM 1152 CD2 TYR A 75 14.750 -2.594 -0.914 1.00 0.00 C ATOM 1153 CE1 TYR A 75 16.522 -3.923 -2.619 1.00 0.00 C ATOM 1154 CE2 TYR A 75 15.674 -1.864 -1.665 1.00 0.00 C ATOM 1155 CZ TYR A 75 16.563 -2.528 -2.519 1.00 0.00 C ATOM 1156 OH TYR A 75 17.480 -1.808 -3.259 1.00 0.00 O ATOM 0 H TYR A 75 15.507 -6.989 0.245 1.00 0.00 H new ATOM 0 HA TYR A 75 14.626 -4.583 1.789 1.00 0.00 H new ATOM 0 HB2 TYR A 75 13.306 -5.585 -0.805 1.00 0.00 H new ATOM 0 HB3 TYR A 75 12.881 -4.135 0.082 1.00 0.00 H new ATOM 0 HD1 TYR A 75 15.563 -5.725 -1.950 1.00 0.00 H new ATOM 0 HD2 TYR A 75 14.066 -2.082 -0.254 1.00 0.00 H new ATOM 0 HE1 TYR A 75 17.207 -4.438 -3.276 1.00 0.00 H new ATOM 0 HE2 TYR A 75 15.703 -0.787 -1.587 1.00 0.00 H new ATOM 0 HH TYR A 75 17.373 -0.852 -3.072 1.00 0.00 H new ATOM 1166 N TYR A 76 12.528 -5.852 2.542 1.00 0.00 N ATOM 1167 CA TYR A 76 11.540 -6.757 3.224 1.00 0.00 C ATOM 1168 C TYR A 76 10.590 -5.954 4.119 1.00 0.00 C ATOM 1169 O TYR A 76 10.886 -4.850 4.522 1.00 0.00 O ATOM 1170 CB TYR A 76 12.375 -7.703 4.107 1.00 0.00 C ATOM 1171 CG TYR A 76 13.199 -6.899 5.090 1.00 0.00 C ATOM 1172 CD1 TYR A 76 12.614 -6.441 6.276 1.00 0.00 C ATOM 1173 CD2 TYR A 76 14.546 -6.623 4.826 1.00 0.00 C ATOM 1174 CE1 TYR A 76 13.370 -5.710 7.196 1.00 0.00 C ATOM 1175 CE2 TYR A 76 15.303 -5.889 5.746 1.00 0.00 C ATOM 1176 CZ TYR A 76 14.716 -5.434 6.932 1.00 0.00 C ATOM 1177 OH TYR A 76 15.468 -4.710 7.840 1.00 0.00 O ATOM 0 H TYR A 76 12.434 -4.863 2.773 1.00 0.00 H new ATOM 0 HA TYR A 76 10.936 -7.291 2.490 1.00 0.00 H new ATOM 0 HB2 TYR A 76 11.718 -8.387 4.644 1.00 0.00 H new ATOM 0 HB3 TYR A 76 13.029 -8.313 3.484 1.00 0.00 H new ATOM 0 HD1 TYR A 76 11.575 -6.653 6.481 1.00 0.00 H new ATOM 0 HD2 TYR A 76 15.001 -6.977 3.912 1.00 0.00 H new ATOM 0 HE1 TYR A 76 12.916 -5.358 8.110 1.00 0.00 H new ATOM 0 HE2 TYR A 76 16.341 -5.673 5.541 1.00 0.00 H new ATOM 0 HH TYR A 76 16.382 -4.610 7.501 1.00 0.00 H new ATOM 1187 N LEU A 77 9.482 -6.540 4.487 1.00 0.00 N ATOM 1188 CA LEU A 77 8.540 -5.854 5.421 1.00 0.00 C ATOM 1189 C LEU A 77 8.819 -6.430 6.812 1.00 0.00 C ATOM 1190 O LEU A 77 8.350 -5.951 7.826 1.00 0.00 O ATOM 1191 CB LEU A 77 7.132 -6.228 4.940 1.00 0.00 C ATOM 1192 CG LEU A 77 6.144 -5.116 5.306 1.00 0.00 C ATOM 1193 CD1 LEU A 77 5.085 -4.985 4.207 1.00 0.00 C ATOM 1194 CD2 LEU A 77 5.455 -5.456 6.628 1.00 0.00 C ATOM 0 H LEU A 77 9.187 -7.467 4.180 1.00 0.00 H new ATOM 0 HA LEU A 77 8.645 -4.770 5.452 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.136 -6.382 3.861 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.820 -7.168 5.395 1.00 0.00 H new ATOM 0 HG LEU A 77 6.686 -4.175 5.406 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.384 -4.193 4.470 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.570 -4.741 3.262 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.547 -5.928 4.106 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.753 -4.664 6.887 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.917 -6.399 6.526 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.203 -5.548 7.415 1.00 0.00 H new ATOM 1206 N ALA A 78 9.640 -7.448 6.827 1.00 0.00 N ATOM 1207 CA ALA A 78 10.077 -8.113 8.076 1.00 0.00 C ATOM 1208 C ALA A 78 11.423 -8.769 7.764 1.00 0.00 C ATOM 1209 O ALA A 78 11.532 -9.556 6.844 1.00 0.00 O ATOM 1210 CB ALA A 78 9.005 -9.160 8.386 1.00 0.00 C ATOM 0 H ALA A 78 10.039 -7.858 5.982 1.00 0.00 H new ATOM 0 HA ALA A 78 10.194 -7.443 8.928 1.00 0.00 H new ATOM 0 HB1 ALA A 78 9.268 -9.690 9.301 1.00 0.00 H new ATOM 0 HB2 ALA A 78 8.042 -8.667 8.516 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.941 -9.870 7.561 1.00 0.00 H new ATOM 1216 N GLU A 79 12.457 -8.428 8.487 1.00 0.00 N ATOM 1217 CA GLU A 79 13.807 -9.008 8.195 1.00 0.00 C ATOM 1218 C GLU A 79 13.737 -10.527 8.026 1.00 0.00 C ATOM 1219 O GLU A 79 14.620 -11.136 7.452 1.00 0.00 O ATOM 1220 CB GLU A 79 14.669 -8.642 9.401 1.00 0.00 C ATOM 1221 CG GLU A 79 15.351 -7.300 9.143 1.00 0.00 C ATOM 1222 CD GLU A 79 16.442 -7.070 10.190 1.00 0.00 C ATOM 1223 OE1 GLU A 79 16.153 -7.228 11.364 1.00 0.00 O ATOM 1224 OE2 GLU A 79 17.550 -6.739 9.799 1.00 0.00 O ATOM 0 H GLU A 79 12.428 -7.773 9.268 1.00 0.00 H new ATOM 0 HA GLU A 79 14.215 -8.618 7.263 1.00 0.00 H new ATOM 0 HB2 GLU A 79 14.053 -8.584 10.299 1.00 0.00 H new ATOM 0 HB3 GLU A 79 15.417 -9.415 9.577 1.00 0.00 H new ATOM 0 HG2 GLU A 79 15.784 -7.287 8.143 1.00 0.00 H new ATOM 0 HG3 GLU A 79 14.618 -6.494 9.184 1.00 0.00 H new ATOM 1231 N LYS A 80 12.693 -11.136 8.514 1.00 0.00 N ATOM 1232 CA LYS A 80 12.546 -12.620 8.379 1.00 0.00 C ATOM 1233 C LYS A 80 12.909 -13.068 6.958 1.00 0.00 C ATOM 1234 O LYS A 80 13.512 -14.103 6.755 1.00 0.00 O ATOM 1235 CB LYS A 80 11.068 -12.889 8.655 1.00 0.00 C ATOM 1236 CG LYS A 80 10.893 -13.375 10.097 1.00 0.00 C ATOM 1237 CD LYS A 80 9.741 -12.616 10.758 1.00 0.00 C ATOM 1238 CE LYS A 80 8.414 -13.286 10.398 1.00 0.00 C ATOM 1239 NZ LYS A 80 7.383 -12.229 10.599 1.00 0.00 N ATOM 0 H LYS A 80 11.929 -10.671 9.004 1.00 0.00 H new ATOM 0 HA LYS A 80 13.202 -13.162 9.059 1.00 0.00 H new ATOM 0 HB2 LYS A 80 10.487 -11.981 8.494 1.00 0.00 H new ATOM 0 HB3 LYS A 80 10.689 -13.638 7.960 1.00 0.00 H new ATOM 0 HG2 LYS A 80 10.690 -14.446 10.108 1.00 0.00 H new ATOM 0 HG3 LYS A 80 11.814 -13.219 10.658 1.00 0.00 H new ATOM 0 HD2 LYS A 80 9.873 -12.604 11.840 1.00 0.00 H new ATOM 0 HD3 LYS A 80 9.738 -11.578 10.426 1.00 0.00 H new ATOM 0 HE2 LYS A 80 8.418 -13.643 9.368 1.00 0.00 H new ATOM 0 HE3 LYS A 80 8.223 -14.150 11.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 6.443 -12.613 10.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 7.398 -11.914 11.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 7.587 -11.422 9.976 1.00 0.00 H new ATOM 1253 N HIS A 81 12.550 -12.284 5.974 1.00 0.00 N ATOM 1254 CA HIS A 81 12.876 -12.645 4.564 1.00 0.00 C ATOM 1255 C HIS A 81 12.998 -11.366 3.742 1.00 0.00 C ATOM 1256 O HIS A 81 12.232 -10.438 3.919 1.00 0.00 O ATOM 1257 CB HIS A 81 11.698 -13.487 4.075 1.00 0.00 C ATOM 1258 CG HIS A 81 11.629 -14.765 4.867 1.00 0.00 C ATOM 1259 ND1 HIS A 81 10.651 -14.989 5.823 1.00 0.00 N ATOM 1260 CD2 HIS A 81 12.410 -15.894 4.858 1.00 0.00 C ATOM 1261 CE1 HIS A 81 10.866 -16.211 6.344 1.00 0.00 C ATOM 1262 NE2 HIS A 81 11.926 -16.805 5.791 1.00 0.00 N ATOM 0 H HIS A 81 12.043 -11.406 6.088 1.00 0.00 H new ATOM 0 HA HIS A 81 13.815 -13.192 4.475 1.00 0.00 H new ATOM 0 HB2 HIS A 81 10.768 -12.929 4.185 1.00 0.00 H new ATOM 0 HB3 HIS A 81 11.813 -13.710 3.014 1.00 0.00 H new ATOM 0 HD2 HIS A 81 13.269 -16.051 4.223 1.00 0.00 H new ATOM 0 HE1 HIS A 81 10.256 -16.657 7.115 1.00 0.00 H new ATOM 0 HE2 HIS A 81 12.301 -17.729 6.006 1.00 0.00 H new ATOM 1270 N LEU A 82 13.957 -11.288 2.861 1.00 0.00 N ATOM 1271 CA LEU A 82 14.108 -10.044 2.067 1.00 0.00 C ATOM 1272 C LEU A 82 14.666 -10.340 0.672 1.00 0.00 C ATOM 1273 O LEU A 82 15.462 -11.239 0.484 1.00 0.00 O ATOM 1274 CB LEU A 82 15.081 -9.184 2.886 1.00 0.00 C ATOM 1275 CG LEU A 82 16.464 -9.826 2.915 1.00 0.00 C ATOM 1276 CD1 LEU A 82 17.490 -8.794 3.387 1.00 0.00 C ATOM 1277 CD2 LEU A 82 16.471 -11.017 3.880 1.00 0.00 C ATOM 0 H LEU A 82 14.634 -12.024 2.660 1.00 0.00 H new ATOM 0 HA LEU A 82 13.155 -9.542 1.899 1.00 0.00 H new ATOM 0 HB2 LEU A 82 15.146 -8.185 2.454 1.00 0.00 H new ATOM 0 HB3 LEU A 82 14.706 -9.068 3.903 1.00 0.00 H new ATOM 0 HG LEU A 82 16.717 -10.173 1.913 1.00 0.00 H new ATOM 0 HD11 LEU A 82 18.480 -9.249 3.409 1.00 0.00 H new ATOM 0 HD12 LEU A 82 17.495 -7.947 2.702 1.00 0.00 H new ATOM 0 HD13 LEU A 82 17.226 -8.450 4.387 1.00 0.00 H new ATOM 0 HD21 LEU A 82 17.463 -11.469 3.893 1.00 0.00 H new ATOM 0 HD22 LEU A 82 16.215 -10.675 4.883 1.00 0.00 H new ATOM 0 HD23 LEU A 82 15.740 -11.756 3.551 1.00 0.00 H new ATOM 1289 N PHE A 83 14.254 -9.577 -0.305 1.00 0.00 N ATOM 1290 CA PHE A 83 14.757 -9.790 -1.692 1.00 0.00 C ATOM 1291 C PHE A 83 15.565 -8.567 -2.132 1.00 0.00 C ATOM 1292 O PHE A 83 16.033 -7.805 -1.310 1.00 0.00 O ATOM 1293 CB PHE A 83 13.502 -9.966 -2.546 1.00 0.00 C ATOM 1294 CG PHE A 83 13.038 -11.399 -2.448 1.00 0.00 C ATOM 1295 CD1 PHE A 83 12.552 -11.894 -1.231 1.00 0.00 C ATOM 1296 CD2 PHE A 83 13.105 -12.235 -3.568 1.00 0.00 C ATOM 1297 CE1 PHE A 83 12.129 -13.224 -1.138 1.00 0.00 C ATOM 1298 CE2 PHE A 83 12.681 -13.567 -3.473 1.00 0.00 C ATOM 1299 CZ PHE A 83 12.194 -14.061 -2.258 1.00 0.00 C ATOM 0 H PHE A 83 13.588 -8.812 -0.201 1.00 0.00 H new ATOM 0 HA PHE A 83 15.416 -10.654 -1.780 1.00 0.00 H new ATOM 0 HB2 PHE A 83 12.717 -9.292 -2.204 1.00 0.00 H new ATOM 0 HB3 PHE A 83 13.714 -9.709 -3.584 1.00 0.00 H new ATOM 0 HD1 PHE A 83 12.504 -11.250 -0.366 1.00 0.00 H new ATOM 0 HD2 PHE A 83 13.483 -11.854 -4.505 1.00 0.00 H new ATOM 0 HE1 PHE A 83 11.752 -13.606 -0.201 1.00 0.00 H new ATOM 0 HE2 PHE A 83 12.730 -14.212 -4.338 1.00 0.00 H new ATOM 0 HZ PHE A 83 11.868 -15.088 -2.184 1.00 0.00 H new ATOM 1309 N SER A 84 15.747 -8.373 -3.412 1.00 0.00 N ATOM 1310 CA SER A 84 16.543 -7.199 -3.872 1.00 0.00 C ATOM 1311 C SER A 84 15.635 -6.086 -4.422 1.00 0.00 C ATOM 1312 O SER A 84 16.112 -5.125 -4.996 1.00 0.00 O ATOM 1313 CB SER A 84 17.443 -7.744 -4.980 1.00 0.00 C ATOM 1314 OG SER A 84 18.185 -6.675 -5.552 1.00 0.00 O ATOM 0 H SER A 84 15.382 -8.972 -4.153 1.00 0.00 H new ATOM 0 HA SER A 84 17.109 -6.754 -3.053 1.00 0.00 H new ATOM 0 HB2 SER A 84 18.120 -8.497 -4.577 1.00 0.00 H new ATOM 0 HB3 SER A 84 16.841 -8.234 -5.745 1.00 0.00 H new ATOM 0 HG SER A 84 17.722 -5.828 -5.383 1.00 0.00 H new ATOM 1320 N THR A 85 14.340 -6.191 -4.247 1.00 0.00 N ATOM 1321 CA THR A 85 13.427 -5.115 -4.756 1.00 0.00 C ATOM 1322 C THR A 85 12.018 -5.277 -4.170 1.00 0.00 C ATOM 1323 O THR A 85 11.641 -6.347 -3.721 1.00 0.00 O ATOM 1324 CB THR A 85 13.373 -5.291 -6.280 1.00 0.00 C ATOM 1325 OG1 THR A 85 14.649 -5.666 -6.777 1.00 0.00 O ATOM 1326 CG2 THR A 85 12.942 -3.973 -6.927 1.00 0.00 C ATOM 0 H THR A 85 13.876 -6.969 -3.777 1.00 0.00 H new ATOM 0 HA THR A 85 13.790 -4.128 -4.470 1.00 0.00 H new ATOM 0 HB THR A 85 12.655 -6.075 -6.522 1.00 0.00 H new ATOM 0 HG1 THR A 85 15.331 -5.060 -6.419 1.00 0.00 H new ATOM 0 HG21 THR A 85 12.903 -4.095 -8.009 1.00 0.00 H new ATOM 0 HG22 THR A 85 11.956 -3.692 -6.557 1.00 0.00 H new ATOM 0 HG23 THR A 85 13.660 -3.192 -6.676 1.00 0.00 H new ATOM 1334 N ILE A 86 11.228 -4.227 -4.180 1.00 0.00 N ATOM 1335 CA ILE A 86 9.843 -4.334 -3.629 1.00 0.00 C ATOM 1336 C ILE A 86 8.990 -5.302 -4.476 1.00 0.00 C ATOM 1337 O ILE A 86 8.441 -6.243 -3.938 1.00 0.00 O ATOM 1338 CB ILE A 86 9.284 -2.907 -3.668 1.00 0.00 C ATOM 1339 CG1 ILE A 86 9.760 -2.148 -2.429 1.00 0.00 C ATOM 1340 CG2 ILE A 86 7.750 -2.935 -3.684 1.00 0.00 C ATOM 1341 CD1 ILE A 86 10.959 -1.271 -2.792 1.00 0.00 C ATOM 0 H ILE A 86 11.483 -3.309 -4.544 1.00 0.00 H new ATOM 0 HA ILE A 86 9.833 -4.737 -2.616 1.00 0.00 H new ATOM 0 HB ILE A 86 9.639 -2.411 -4.572 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.952 -1.531 -2.035 1.00 0.00 H new ATOM 0 HG13 ILE A 86 10.036 -2.851 -1.643 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.368 -1.915 -3.712 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.405 -3.476 -4.565 1.00 0.00 H new ATOM 0 HG23 ILE A 86 7.386 -3.435 -2.786 1.00 0.00 H new ATOM 0 HD11 ILE A 86 11.296 -0.731 -1.907 1.00 0.00 H new ATOM 0 HD12 ILE A 86 11.769 -1.898 -3.165 1.00 0.00 H new ATOM 0 HD13 ILE A 86 10.668 -0.558 -3.563 1.00 0.00 H new ATOM 1353 N PRO A 87 8.894 -5.062 -5.771 1.00 0.00 N ATOM 1354 CA PRO A 87 8.091 -5.956 -6.639 1.00 0.00 C ATOM 1355 C PRO A 87 8.555 -7.404 -6.475 1.00 0.00 C ATOM 1356 O PRO A 87 7.762 -8.326 -6.499 1.00 0.00 O ATOM 1357 CB PRO A 87 8.387 -5.424 -8.044 1.00 0.00 C ATOM 1358 CG PRO A 87 9.350 -4.228 -7.925 1.00 0.00 C ATOM 1359 CD PRO A 87 9.568 -3.920 -6.437 1.00 0.00 C ATOM 0 HA PRO A 87 7.026 -5.960 -6.408 1.00 0.00 H new ATOM 0 HB2 PRO A 87 8.831 -6.207 -8.659 1.00 0.00 H new ATOM 0 HB3 PRO A 87 7.463 -5.118 -8.535 1.00 0.00 H new ATOM 0 HG2 PRO A 87 10.300 -4.458 -8.407 1.00 0.00 H new ATOM 0 HG3 PRO A 87 8.937 -3.358 -8.435 1.00 0.00 H new ATOM 0 HD2 PRO A 87 10.627 -3.870 -6.184 1.00 0.00 H new ATOM 0 HD3 PRO A 87 9.126 -2.965 -6.151 1.00 0.00 H new ATOM 1367 N GLU A 88 9.830 -7.606 -6.284 1.00 0.00 N ATOM 1368 CA GLU A 88 10.339 -8.992 -6.091 1.00 0.00 C ATOM 1369 C GLU A 88 9.758 -9.559 -4.795 1.00 0.00 C ATOM 1370 O GLU A 88 9.284 -10.676 -4.752 1.00 0.00 O ATOM 1371 CB GLU A 88 11.858 -8.855 -5.988 1.00 0.00 C ATOM 1372 CG GLU A 88 12.504 -10.233 -6.136 1.00 0.00 C ATOM 1373 CD GLU A 88 12.341 -10.722 -7.575 1.00 0.00 C ATOM 1374 OE1 GLU A 88 12.658 -9.965 -8.477 1.00 0.00 O ATOM 1375 OE2 GLU A 88 11.902 -11.846 -7.752 1.00 0.00 O ATOM 0 H GLU A 88 10.539 -6.873 -6.253 1.00 0.00 H new ATOM 0 HA GLU A 88 10.058 -9.663 -6.902 1.00 0.00 H new ATOM 0 HB2 GLU A 88 12.227 -8.183 -6.763 1.00 0.00 H new ATOM 0 HB3 GLU A 88 12.130 -8.415 -5.029 1.00 0.00 H new ATOM 0 HG2 GLU A 88 13.561 -10.180 -5.876 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.041 -10.939 -5.446 1.00 0.00 H new ATOM 1382 N LEU A 89 9.777 -8.781 -3.744 1.00 0.00 N ATOM 1383 CA LEU A 89 9.211 -9.257 -2.445 1.00 0.00 C ATOM 1384 C LEU A 89 7.726 -9.593 -2.617 1.00 0.00 C ATOM 1385 O LEU A 89 7.286 -10.684 -2.312 1.00 0.00 O ATOM 1386 CB LEU A 89 9.384 -8.080 -1.482 1.00 0.00 C ATOM 1387 CG LEU A 89 10.558 -8.353 -0.538 1.00 0.00 C ATOM 1388 CD1 LEU A 89 11.357 -7.065 -0.321 1.00 0.00 C ATOM 1389 CD2 LEU A 89 10.023 -8.856 0.806 1.00 0.00 C ATOM 0 H LEU A 89 10.160 -7.836 -3.728 1.00 0.00 H new ATOM 0 HA LEU A 89 9.706 -10.157 -2.080 1.00 0.00 H new ATOM 0 HB2 LEU A 89 9.562 -7.162 -2.043 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.470 -7.931 -0.907 1.00 0.00 H new ATOM 0 HG LEU A 89 11.208 -9.109 -0.978 1.00 0.00 H new ATOM 0 HD11 LEU A 89 12.192 -7.263 0.351 1.00 0.00 H new ATOM 0 HD12 LEU A 89 11.739 -6.708 -1.278 1.00 0.00 H new ATOM 0 HD13 LEU A 89 10.710 -6.305 0.118 1.00 0.00 H new ATOM 0 HD21 LEU A 89 10.857 -9.051 1.480 1.00 0.00 H new ATOM 0 HD22 LEU A 89 9.372 -8.100 1.244 1.00 0.00 H new ATOM 0 HD23 LEU A 89 9.459 -9.776 0.652 1.00 0.00 H new ATOM 1401 N ILE A 90 6.952 -8.658 -3.103 1.00 0.00 N ATOM 1402 CA ILE A 90 5.491 -8.911 -3.298 1.00 0.00 C ATOM 1403 C ILE A 90 5.273 -10.201 -4.099 1.00 0.00 C ATOM 1404 O ILE A 90 4.482 -11.045 -3.726 1.00 0.00 O ATOM 1405 CB ILE A 90 4.974 -7.699 -4.080 1.00 0.00 C ATOM 1406 CG1 ILE A 90 5.208 -6.417 -3.270 1.00 0.00 C ATOM 1407 CG2 ILE A 90 3.476 -7.859 -4.348 1.00 0.00 C ATOM 1408 CD1 ILE A 90 4.570 -6.555 -1.884 1.00 0.00 C ATOM 0 H ILE A 90 7.268 -7.727 -3.374 1.00 0.00 H new ATOM 0 HA ILE A 90 4.968 -9.036 -2.350 1.00 0.00 H new ATOM 0 HB ILE A 90 5.510 -7.633 -5.027 1.00 0.00 H new ATOM 0 HG12 ILE A 90 6.277 -6.228 -3.171 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.781 -5.562 -3.794 1.00 0.00 H new ATOM 0 HG21 ILE A 90 3.112 -6.995 -4.904 1.00 0.00 H new ATOM 0 HG22 ILE A 90 3.305 -8.764 -4.931 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.943 -7.932 -3.400 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.739 -5.642 -1.313 1.00 0.00 H new ATOM 0 HD12 ILE A 90 3.498 -6.722 -1.992 1.00 0.00 H new ATOM 0 HD13 ILE A 90 5.018 -7.399 -1.360 1.00 0.00 H new ATOM 1420 N ASN A 91 5.967 -10.358 -5.194 1.00 0.00 N ATOM 1421 CA ASN A 91 5.797 -11.595 -6.015 1.00 0.00 C ATOM 1422 C ASN A 91 6.280 -12.818 -5.229 1.00 0.00 C ATOM 1423 O ASN A 91 5.678 -13.873 -5.272 1.00 0.00 O ATOM 1424 CB ASN A 91 6.666 -11.376 -7.255 1.00 0.00 C ATOM 1425 CG ASN A 91 6.093 -12.176 -8.426 1.00 0.00 C ATOM 1426 OD1 ASN A 91 4.941 -12.017 -8.780 1.00 0.00 O ATOM 1427 ND2 ASN A 91 6.853 -13.036 -9.047 1.00 0.00 N ATOM 0 H ASN A 91 6.643 -9.686 -5.556 1.00 0.00 H new ATOM 0 HA ASN A 91 4.755 -11.775 -6.278 1.00 0.00 H new ATOM 0 HB2 ASN A 91 6.699 -10.316 -7.506 1.00 0.00 H new ATOM 0 HB3 ASN A 91 7.691 -11.688 -7.054 1.00 0.00 H new ATOM 0 HD21 ASN A 91 6.480 -13.574 -9.829 1.00 0.00 H new ATOM 0 HD22 ASN A 91 7.820 -13.170 -8.750 1.00 0.00 H new ATOM 1434 N TYR A 92 7.363 -12.680 -4.513 1.00 0.00 N ATOM 1435 CA TYR A 92 7.893 -13.831 -3.720 1.00 0.00 C ATOM 1436 C TYR A 92 6.869 -14.266 -2.658 1.00 0.00 C ATOM 1437 O TYR A 92 6.954 -15.350 -2.116 1.00 0.00 O ATOM 1438 CB TYR A 92 9.192 -13.302 -3.080 1.00 0.00 C ATOM 1439 CG TYR A 92 9.220 -13.588 -1.595 1.00 0.00 C ATOM 1440 CD1 TYR A 92 9.445 -14.890 -1.134 1.00 0.00 C ATOM 1441 CD2 TYR A 92 9.027 -12.546 -0.681 1.00 0.00 C ATOM 1442 CE1 TYR A 92 9.474 -15.150 0.241 1.00 0.00 C ATOM 1443 CE2 TYR A 92 9.056 -12.805 0.694 1.00 0.00 C ATOM 1444 CZ TYR A 92 9.280 -14.107 1.155 1.00 0.00 C ATOM 1445 OH TYR A 92 9.309 -14.363 2.510 1.00 0.00 O ATOM 0 H TYR A 92 7.906 -11.819 -4.442 1.00 0.00 H new ATOM 0 HA TYR A 92 8.082 -14.713 -4.331 1.00 0.00 H new ATOM 0 HB2 TYR A 92 10.053 -13.767 -3.560 1.00 0.00 H new ATOM 0 HB3 TYR A 92 9.274 -12.228 -3.249 1.00 0.00 H new ATOM 0 HD1 TYR A 92 9.596 -15.694 -1.839 1.00 0.00 H new ATOM 0 HD2 TYR A 92 8.855 -11.541 -1.037 1.00 0.00 H new ATOM 0 HE1 TYR A 92 9.646 -16.155 0.597 1.00 0.00 H new ATOM 0 HE2 TYR A 92 8.906 -12.001 1.399 1.00 0.00 H new ATOM 0 HH TYR A 92 9.908 -15.118 2.687 1.00 0.00 H new ATOM 1455 N HIS A 93 5.909 -13.431 -2.355 1.00 0.00 N ATOM 1456 CA HIS A 93 4.893 -13.804 -1.327 1.00 0.00 C ATOM 1457 C HIS A 93 3.513 -13.969 -1.973 1.00 0.00 C ATOM 1458 O HIS A 93 2.770 -14.873 -1.644 1.00 0.00 O ATOM 1459 CB HIS A 93 4.884 -12.637 -0.340 1.00 0.00 C ATOM 1460 CG HIS A 93 4.118 -13.030 0.894 1.00 0.00 C ATOM 1461 ND1 HIS A 93 2.758 -12.794 1.025 1.00 0.00 N ATOM 1462 CD2 HIS A 93 4.507 -13.642 2.059 1.00 0.00 C ATOM 1463 CE1 HIS A 93 2.381 -13.260 2.231 1.00 0.00 C ATOM 1464 NE2 HIS A 93 3.409 -13.786 2.902 1.00 0.00 N ATOM 0 H HIS A 93 5.785 -12.509 -2.774 1.00 0.00 H new ATOM 0 HA HIS A 93 5.129 -14.751 -0.841 1.00 0.00 H new ATOM 0 HB2 HIS A 93 5.905 -12.363 -0.075 1.00 0.00 H new ATOM 0 HB3 HIS A 93 4.428 -11.761 -0.801 1.00 0.00 H new ATOM 0 HD2 HIS A 93 5.513 -13.963 2.287 1.00 0.00 H new ATOM 0 HE1 HIS A 93 1.371 -13.214 2.609 1.00 0.00 H new ATOM 0 HE2 HIS A 93 3.393 -14.204 3.832 1.00 0.00 H new ATOM 1472 N GLN A 94 3.164 -13.098 -2.881 1.00 0.00 N ATOM 1473 CA GLN A 94 1.830 -13.197 -3.543 1.00 0.00 C ATOM 1474 C GLN A 94 1.913 -14.065 -4.802 1.00 0.00 C ATOM 1475 O GLN A 94 1.063 -14.899 -5.047 1.00 0.00 O ATOM 1476 CB GLN A 94 1.463 -11.757 -3.908 1.00 0.00 C ATOM 1477 CG GLN A 94 -0.055 -11.571 -3.810 1.00 0.00 C ATOM 1478 CD GLN A 94 -0.369 -10.358 -2.932 1.00 0.00 C ATOM 1479 OE1 GLN A 94 0.224 -9.309 -3.090 1.00 0.00 O ATOM 1480 NE2 GLN A 94 -1.283 -10.458 -2.006 1.00 0.00 N ATOM 0 H GLN A 94 3.746 -12.321 -3.194 1.00 0.00 H new ATOM 0 HA GLN A 94 1.086 -13.660 -2.895 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.968 -11.062 -3.238 1.00 0.00 H new ATOM 0 HB3 GLN A 94 1.803 -11.530 -4.919 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.479 -11.432 -4.804 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -0.515 -12.465 -3.389 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -1.781 -11.338 -1.874 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -1.500 -9.656 -1.415 1.00 0.00 H new ATOM 1489 N HIS A 95 2.923 -13.864 -5.610 1.00 0.00 N ATOM 1490 CA HIS A 95 3.066 -14.661 -6.870 1.00 0.00 C ATOM 1491 C HIS A 95 1.879 -14.362 -7.795 1.00 0.00 C ATOM 1492 O HIS A 95 1.573 -13.216 -8.061 1.00 0.00 O ATOM 1493 CB HIS A 95 3.081 -16.138 -6.442 1.00 0.00 C ATOM 1494 CG HIS A 95 4.067 -16.344 -5.323 1.00 0.00 C ATOM 1495 ND1 HIS A 95 3.689 -16.310 -3.991 1.00 0.00 N ATOM 1496 CD2 HIS A 95 5.417 -16.594 -5.324 1.00 0.00 C ATOM 1497 CE1 HIS A 95 4.789 -16.536 -3.252 1.00 0.00 C ATOM 1498 NE2 HIS A 95 5.871 -16.716 -4.014 1.00 0.00 N ATOM 0 H HIS A 95 3.661 -13.178 -5.451 1.00 0.00 H new ATOM 0 HA HIS A 95 3.976 -14.414 -7.417 1.00 0.00 H new ATOM 0 HB2 HIS A 95 2.085 -16.441 -6.119 1.00 0.00 H new ATOM 0 HB3 HIS A 95 3.346 -16.768 -7.291 1.00 0.00 H new ATOM 0 HD2 HIS A 95 6.033 -16.683 -6.207 1.00 0.00 H new ATOM 0 HE1 HIS A 95 4.797 -16.568 -2.173 1.00 0.00 H new ATOM 0 HE2 HIS A 95 6.824 -16.903 -3.703 1.00 0.00 H new ATOM 1506 N ASN A 96 1.197 -15.370 -8.283 1.00 0.00 N ATOM 1507 CA ASN A 96 0.030 -15.119 -9.179 1.00 0.00 C ATOM 1508 C ASN A 96 0.466 -14.320 -10.412 1.00 0.00 C ATOM 1509 O ASN A 96 0.018 -13.211 -10.636 1.00 0.00 O ATOM 1510 CB ASN A 96 -0.948 -14.305 -8.328 1.00 0.00 C ATOM 1511 CG ASN A 96 -2.362 -14.445 -8.897 1.00 0.00 C ATOM 1512 OD1 ASN A 96 -2.837 -13.571 -9.596 1.00 0.00 O ATOM 1513 ND2 ASN A 96 -3.058 -15.515 -8.627 1.00 0.00 N ATOM 0 H ASN A 96 1.399 -16.353 -8.099 1.00 0.00 H new ATOM 0 HA ASN A 96 -0.416 -16.043 -9.546 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -0.924 -14.653 -7.295 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -0.651 -13.256 -8.318 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -4.001 -15.618 -9.002 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -2.659 -16.248 -8.041 1.00 0.00 H new ATOM 1520 N SER A 97 1.335 -14.876 -11.212 1.00 0.00 N ATOM 1521 CA SER A 97 1.800 -14.152 -12.432 1.00 0.00 C ATOM 1522 C SER A 97 2.386 -15.141 -13.442 1.00 0.00 C ATOM 1523 O SER A 97 3.089 -16.066 -13.084 1.00 0.00 O ATOM 1524 CB SER A 97 2.879 -13.191 -11.935 1.00 0.00 C ATOM 1525 OG SER A 97 3.098 -12.184 -12.914 1.00 0.00 O ATOM 0 H SER A 97 1.744 -15.800 -11.074 1.00 0.00 H new ATOM 0 HA SER A 97 0.988 -13.627 -12.936 1.00 0.00 H new ATOM 0 HB2 SER A 97 2.572 -12.738 -10.992 1.00 0.00 H new ATOM 0 HB3 SER A 97 3.804 -13.734 -11.741 1.00 0.00 H new ATOM 0 HG SER A 97 3.788 -11.565 -12.598 1.00 0.00 H new ATOM 1531 N ALA A 98 2.099 -14.955 -14.703 1.00 0.00 N ATOM 1532 CA ALA A 98 2.637 -15.886 -15.739 1.00 0.00 C ATOM 1533 C ALA A 98 2.450 -15.287 -17.136 1.00 0.00 C ATOM 1534 O ALA A 98 3.339 -15.333 -17.964 1.00 0.00 O ATOM 1535 CB ALA A 98 1.812 -17.164 -15.587 1.00 0.00 C ATOM 0 H ALA A 98 1.515 -14.199 -15.061 1.00 0.00 H new ATOM 0 HA ALA A 98 3.704 -16.072 -15.615 1.00 0.00 H new ATOM 0 HB1 ALA A 98 2.147 -17.902 -16.316 1.00 0.00 H new ATOM 0 HB2 ALA A 98 1.941 -17.563 -14.581 1.00 0.00 H new ATOM 0 HB3 ALA A 98 0.759 -16.939 -15.756 1.00 0.00 H new ATOM 1541 N GLY A 99 1.300 -14.728 -17.403 1.00 0.00 N ATOM 1542 CA GLY A 99 1.054 -14.128 -18.746 1.00 0.00 C ATOM 1543 C GLY A 99 0.947 -12.608 -18.617 1.00 0.00 C ATOM 1544 O GLY A 99 1.849 -11.953 -18.135 1.00 0.00 O ATOM 0 H GLY A 99 0.520 -14.661 -16.749 1.00 0.00 H new ATOM 0 HA2 GLY A 99 1.865 -14.389 -19.426 1.00 0.00 H new ATOM 0 HA3 GLY A 99 0.136 -14.532 -19.174 1.00 0.00 H new ATOM 1548 N LEU A 100 -0.151 -12.044 -19.045 1.00 0.00 N ATOM 1549 CA LEU A 100 -0.319 -10.564 -18.949 1.00 0.00 C ATOM 1550 C LEU A 100 -0.272 -10.119 -17.485 1.00 0.00 C ATOM 1551 O LEU A 100 -0.637 -10.858 -16.591 1.00 0.00 O ATOM 1552 CB LEU A 100 -1.698 -10.277 -19.555 1.00 0.00 C ATOM 1553 CG LEU A 100 -1.538 -9.658 -20.949 1.00 0.00 C ATOM 1554 CD1 LEU A 100 -0.771 -8.337 -20.840 1.00 0.00 C ATOM 1555 CD2 LEU A 100 -0.764 -10.623 -21.854 1.00 0.00 C ATOM 0 H LEU A 100 -0.939 -12.544 -19.457 1.00 0.00 H new ATOM 0 HA LEU A 100 0.473 -10.026 -19.470 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -2.275 -11.200 -19.621 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.255 -9.599 -18.908 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.524 -9.471 -21.375 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -0.658 -7.899 -21.832 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -1.322 -7.648 -20.199 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.214 -8.522 -20.411 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -0.651 -10.182 -22.844 1.00 0.00 H new ATOM 0 HD22 LEU A 100 0.221 -10.812 -21.427 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -1.310 -11.563 -21.936 1.00 0.00 H new ATOM 1567 N ILE A 101 0.176 -8.917 -17.235 1.00 0.00 N ATOM 1568 CA ILE A 101 0.248 -8.424 -15.828 1.00 0.00 C ATOM 1569 C ILE A 101 -1.155 -8.077 -15.317 1.00 0.00 C ATOM 1570 O ILE A 101 -1.471 -6.928 -15.077 1.00 0.00 O ATOM 1571 CB ILE A 101 1.132 -7.172 -15.890 1.00 0.00 C ATOM 1572 CG1 ILE A 101 1.284 -6.583 -14.484 1.00 0.00 C ATOM 1573 CG2 ILE A 101 0.496 -6.130 -16.816 1.00 0.00 C ATOM 1574 CD1 ILE A 101 2.557 -7.129 -13.836 1.00 0.00 C ATOM 0 H ILE A 101 0.495 -8.256 -17.943 1.00 0.00 H new ATOM 0 HA ILE A 101 0.654 -9.171 -15.146 1.00 0.00 H new ATOM 0 HB ILE A 101 2.113 -7.445 -16.279 1.00 0.00 H new ATOM 0 HG12 ILE A 101 1.328 -5.495 -14.537 1.00 0.00 H new ATOM 0 HG13 ILE A 101 0.416 -6.838 -13.876 1.00 0.00 H new ATOM 0 HG21 ILE A 101 1.129 -5.244 -16.855 1.00 0.00 H new ATOM 0 HG22 ILE A 101 0.394 -6.548 -17.818 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -0.488 -5.857 -16.435 1.00 0.00 H new ATOM 0 HD11 ILE A 101 2.665 -6.710 -12.836 1.00 0.00 H new ATOM 0 HD12 ILE A 101 2.494 -8.215 -13.769 1.00 0.00 H new ATOM 0 HD13 ILE A 101 3.421 -6.852 -14.441 1.00 0.00 H new ATOM 1586 N SER A 102 -1.995 -9.063 -15.149 1.00 0.00 N ATOM 1587 CA SER A 102 -3.376 -8.792 -14.652 1.00 0.00 C ATOM 1588 C SER A 102 -3.449 -9.028 -13.141 1.00 0.00 C ATOM 1589 O SER A 102 -4.486 -9.373 -12.607 1.00 0.00 O ATOM 1590 CB SER A 102 -4.266 -9.789 -15.393 1.00 0.00 C ATOM 1591 OG SER A 102 -4.882 -9.138 -16.497 1.00 0.00 O ATOM 0 H SER A 102 -1.785 -10.044 -15.334 1.00 0.00 H new ATOM 0 HA SER A 102 -3.684 -7.761 -14.828 1.00 0.00 H new ATOM 0 HB2 SER A 102 -3.673 -10.636 -15.740 1.00 0.00 H new ATOM 0 HB3 SER A 102 -5.026 -10.186 -14.720 1.00 0.00 H new ATOM 0 HG SER A 102 -5.452 -9.775 -16.976 1.00 0.00 H new ATOM 1597 N ARG A 103 -2.357 -8.842 -12.449 1.00 0.00 N ATOM 1598 CA ARG A 103 -2.360 -9.053 -10.971 1.00 0.00 C ATOM 1599 C ARG A 103 -2.982 -7.840 -10.266 1.00 0.00 C ATOM 1600 O ARG A 103 -3.860 -7.189 -10.799 1.00 0.00 O ATOM 1601 CB ARG A 103 -0.886 -9.209 -10.592 1.00 0.00 C ATOM 1602 CG ARG A 103 -0.752 -10.257 -9.485 1.00 0.00 C ATOM 1603 CD ARG A 103 0.592 -10.084 -8.773 1.00 0.00 C ATOM 1604 NE ARG A 103 0.492 -8.771 -8.076 1.00 0.00 N ATOM 1605 CZ ARG A 103 0.313 -8.730 -6.785 1.00 0.00 C ATOM 1606 NH1 ARG A 103 -0.745 -9.281 -6.253 1.00 0.00 N ATOM 1607 NH2 ARG A 103 1.192 -8.139 -6.023 1.00 0.00 N ATOM 0 H ARG A 103 -1.462 -8.553 -12.843 1.00 0.00 H new ATOM 0 HA ARG A 103 -2.947 -9.922 -10.675 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -0.305 -9.509 -11.464 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -0.483 -8.254 -10.254 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -1.569 -10.153 -8.771 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -0.824 -11.259 -9.908 1.00 0.00 H new ATOM 0 HD2 ARG A 103 0.771 -10.894 -8.066 1.00 0.00 H new ATOM 0 HD3 ARG A 103 1.419 -10.092 -9.483 1.00 0.00 H new ATOM 0 HE ARG A 103 0.564 -7.904 -8.609 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -1.432 -9.744 -6.848 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -0.884 -9.248 -5.243 1.00 0.00 H new ATOM 0 HH21 ARG A 103 2.019 -7.709 -6.437 1.00 0.00 H new ATOM 0 HH22 ARG A 103 1.052 -8.107 -5.013 1.00 0.00 H new ATOM 1621 N LEU A 104 -2.538 -7.533 -9.072 1.00 0.00 N ATOM 1622 CA LEU A 104 -3.106 -6.364 -8.332 1.00 0.00 C ATOM 1623 C LEU A 104 -4.617 -6.536 -8.152 1.00 0.00 C ATOM 1624 O LEU A 104 -5.206 -7.478 -8.645 1.00 0.00 O ATOM 1625 CB LEU A 104 -2.804 -5.143 -9.206 1.00 0.00 C ATOM 1626 CG LEU A 104 -2.789 -3.880 -8.337 1.00 0.00 C ATOM 1627 CD1 LEU A 104 -1.492 -3.106 -8.583 1.00 0.00 C ATOM 1628 CD2 LEU A 104 -3.984 -2.995 -8.697 1.00 0.00 C ATOM 0 H LEU A 104 -1.806 -8.042 -8.577 1.00 0.00 H new ATOM 0 HA LEU A 104 -2.675 -6.262 -7.336 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.841 -5.267 -9.702 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -3.556 -5.049 -9.989 1.00 0.00 H new ATOM 0 HG LEU A 104 -2.851 -4.164 -7.287 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.481 -2.208 -7.965 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -0.639 -3.734 -8.325 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.430 -2.824 -9.634 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -3.972 -2.098 -8.078 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -3.924 -2.712 -9.748 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.909 -3.544 -8.522 1.00 0.00 H new ATOM 1640 N LYS A 105 -5.246 -5.634 -7.448 1.00 0.00 N ATOM 1641 CA LYS A 105 -6.717 -5.748 -7.233 1.00 0.00 C ATOM 1642 C LYS A 105 -7.456 -4.629 -7.974 1.00 0.00 C ATOM 1643 O LYS A 105 -8.001 -4.841 -9.040 1.00 0.00 O ATOM 1644 CB LYS A 105 -6.904 -5.618 -5.724 1.00 0.00 C ATOM 1645 CG LYS A 105 -6.521 -6.935 -5.046 1.00 0.00 C ATOM 1646 CD LYS A 105 -7.382 -7.136 -3.797 1.00 0.00 C ATOM 1647 CE LYS A 105 -7.339 -8.608 -3.380 1.00 0.00 C ATOM 1648 NZ LYS A 105 -8.532 -9.225 -4.022 1.00 0.00 N ATOM 0 H LYS A 105 -4.805 -4.824 -7.013 1.00 0.00 H new ATOM 0 HA LYS A 105 -7.119 -6.687 -7.613 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -6.287 -4.806 -5.339 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -7.940 -5.367 -5.496 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -6.663 -7.766 -5.736 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -5.465 -6.923 -4.775 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -7.017 -6.506 -2.986 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -8.410 -6.834 -3.998 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -6.419 -9.086 -3.715 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -7.376 -8.712 -2.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -8.571 -10.236 -3.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -9.393 -8.754 -3.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -8.466 -9.117 -5.054 1.00 0.00 H new ATOM 1662 N TYR A 106 -7.482 -3.437 -7.427 1.00 0.00 N ATOM 1663 CA TYR A 106 -8.192 -2.322 -8.122 1.00 0.00 C ATOM 1664 C TYR A 106 -7.264 -1.103 -8.252 1.00 0.00 C ATOM 1665 O TYR A 106 -6.959 -0.460 -7.267 1.00 0.00 O ATOM 1666 CB TYR A 106 -9.391 -1.989 -7.235 1.00 0.00 C ATOM 1667 CG TYR A 106 -10.168 -0.853 -7.855 1.00 0.00 C ATOM 1668 CD1 TYR A 106 -9.758 0.466 -7.637 1.00 0.00 C ATOM 1669 CD2 TYR A 106 -11.288 -1.116 -8.649 1.00 0.00 C ATOM 1670 CE1 TYR A 106 -10.468 1.525 -8.213 1.00 0.00 C ATOM 1671 CE2 TYR A 106 -12.001 -0.058 -9.225 1.00 0.00 C ATOM 1672 CZ TYR A 106 -11.591 1.263 -9.008 1.00 0.00 C ATOM 1673 OH TYR A 106 -12.293 2.306 -9.575 1.00 0.00 O ATOM 0 H TYR A 106 -7.046 -3.191 -6.538 1.00 0.00 H new ATOM 0 HA TYR A 106 -8.501 -2.599 -9.130 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -10.031 -2.865 -7.124 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -9.054 -1.712 -6.236 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -8.892 0.667 -7.023 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -11.603 -2.135 -8.818 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -10.150 2.543 -8.045 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -12.868 -0.261 -9.837 1.00 0.00 H new ATOM 0 HH TYR A 106 -13.043 1.950 -10.097 1.00 0.00 H new ATOM 1683 N PRO A 107 -6.835 -0.822 -9.462 1.00 0.00 N ATOM 1684 CA PRO A 107 -5.933 0.329 -9.700 1.00 0.00 C ATOM 1685 C PRO A 107 -6.614 1.658 -9.364 1.00 0.00 C ATOM 1686 O PRO A 107 -7.386 2.186 -10.141 1.00 0.00 O ATOM 1687 CB PRO A 107 -5.645 0.231 -11.200 1.00 0.00 C ATOM 1688 CG PRO A 107 -6.406 -0.979 -11.774 1.00 0.00 C ATOM 1689 CD PRO A 107 -7.218 -1.629 -10.647 1.00 0.00 C ATOM 0 HA PRO A 107 -5.037 0.301 -9.079 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -5.956 1.146 -11.704 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -4.574 0.120 -11.372 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -7.066 -0.662 -12.581 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -5.706 -1.699 -12.199 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -8.290 -1.581 -10.840 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -6.964 -2.681 -10.520 1.00 0.00 H new ATOM 1697 N VAL A 108 -6.307 2.214 -8.225 1.00 0.00 N ATOM 1698 CA VAL A 108 -6.898 3.525 -7.839 1.00 0.00 C ATOM 1699 C VAL A 108 -5.762 4.510 -7.531 1.00 0.00 C ATOM 1700 O VAL A 108 -4.714 4.116 -7.058 1.00 0.00 O ATOM 1701 CB VAL A 108 -7.733 3.229 -6.592 1.00 0.00 C ATOM 1702 CG1 VAL A 108 -6.817 2.902 -5.412 1.00 0.00 C ATOM 1703 CG2 VAL A 108 -8.592 4.449 -6.250 1.00 0.00 C ATOM 0 H VAL A 108 -5.667 1.813 -7.540 1.00 0.00 H new ATOM 0 HA VAL A 108 -7.510 3.972 -8.622 1.00 0.00 H new ATOM 0 HB VAL A 108 -8.377 2.372 -6.790 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -7.421 2.693 -4.529 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -6.212 2.028 -5.653 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -6.164 3.752 -5.212 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -9.187 4.238 -5.361 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -7.947 5.306 -6.059 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -9.255 4.673 -7.086 1.00 0.00 H new ATOM 1713 N SER A 109 -5.944 5.776 -7.798 1.00 0.00 N ATOM 1714 CA SER A 109 -4.851 6.748 -7.517 1.00 0.00 C ATOM 1715 C SER A 109 -5.125 7.501 -6.221 1.00 0.00 C ATOM 1716 O SER A 109 -4.433 7.332 -5.237 1.00 0.00 O ATOM 1717 CB SER A 109 -4.853 7.715 -8.700 1.00 0.00 C ATOM 1718 OG SER A 109 -4.478 7.019 -9.880 1.00 0.00 O ATOM 0 H SER A 109 -6.795 6.175 -8.195 1.00 0.00 H new ATOM 0 HA SER A 109 -3.889 6.249 -7.399 1.00 0.00 H new ATOM 0 HB2 SER A 109 -5.843 8.154 -8.823 1.00 0.00 H new ATOM 0 HB3 SER A 109 -4.161 8.536 -8.514 1.00 0.00 H new ATOM 0 HG SER A 109 -5.025 7.330 -10.631 1.00 0.00 H new ATOM 1724 N GLN A 110 -6.122 8.344 -6.216 1.00 0.00 N ATOM 1725 CA GLN A 110 -6.427 9.118 -4.987 1.00 0.00 C ATOM 1726 C GLN A 110 -7.728 9.913 -5.162 1.00 0.00 C ATOM 1727 O GLN A 110 -8.648 9.465 -5.816 1.00 0.00 O ATOM 1728 CB GLN A 110 -5.224 10.050 -4.818 1.00 0.00 C ATOM 1729 CG GLN A 110 -4.990 10.821 -6.121 1.00 0.00 C ATOM 1730 CD GLN A 110 -3.987 11.949 -5.876 1.00 0.00 C ATOM 1731 OE1 GLN A 110 -4.243 13.089 -6.208 1.00 0.00 O ATOM 1732 NE2 GLN A 110 -2.846 11.677 -5.305 1.00 0.00 N ATOM 0 H GLN A 110 -6.735 8.527 -7.010 1.00 0.00 H new ATOM 0 HA GLN A 110 -6.578 8.483 -4.114 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -5.401 10.746 -3.998 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -4.336 9.473 -4.560 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -4.614 10.148 -6.891 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -5.931 11.231 -6.487 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -2.631 10.720 -5.026 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -2.169 12.422 -5.137 1.00 0.00 H new ATOM 1741 N GLN A 111 -7.813 11.081 -4.572 1.00 0.00 N ATOM 1742 CA GLN A 111 -9.055 11.904 -4.691 1.00 0.00 C ATOM 1743 C GLN A 111 -9.519 11.981 -6.151 1.00 0.00 C ATOM 1744 O GLN A 111 -9.049 12.783 -6.933 1.00 0.00 O ATOM 1745 CB GLN A 111 -8.663 13.283 -4.162 1.00 0.00 C ATOM 1746 CG GLN A 111 -7.510 13.853 -4.996 1.00 0.00 C ATOM 1747 CD GLN A 111 -7.971 15.126 -5.709 1.00 0.00 C ATOM 1748 OE1 GLN A 111 -9.054 15.172 -6.257 1.00 0.00 O ATOM 1749 NE2 GLN A 111 -7.189 16.171 -5.724 1.00 0.00 N ATOM 0 H GLN A 111 -7.072 11.500 -4.011 1.00 0.00 H new ATOM 0 HA GLN A 111 -9.888 11.477 -4.133 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -9.520 13.955 -4.203 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -8.365 13.210 -3.116 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -6.657 14.073 -4.354 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -7.177 13.116 -5.726 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -6.279 16.134 -5.264 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -7.488 17.025 -6.195 1.00 0.00 H new ATOM 1758 N ASN A 112 -10.445 11.137 -6.509 1.00 0.00 N ATOM 1759 CA ASN A 112 -10.976 11.110 -7.902 1.00 0.00 C ATOM 1760 C ASN A 112 -11.948 9.937 -8.028 1.00 0.00 C ATOM 1761 O ASN A 112 -13.036 10.066 -8.554 1.00 0.00 O ATOM 1762 CB ASN A 112 -9.757 10.900 -8.808 1.00 0.00 C ATOM 1763 CG ASN A 112 -9.467 12.186 -9.585 1.00 0.00 C ATOM 1764 OD1 ASN A 112 -8.356 12.676 -9.581 1.00 0.00 O ATOM 1765 ND2 ASN A 112 -10.428 12.758 -10.258 1.00 0.00 N ATOM 0 H ASN A 112 -10.865 10.450 -5.883 1.00 0.00 H new ATOM 0 HA ASN A 112 -11.507 12.023 -8.171 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -8.890 10.622 -8.209 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -9.943 10.079 -9.500 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -10.245 13.615 -10.780 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -11.362 12.348 -10.262 1.00 0.00 H new ATOM 1772 N LYS A 113 -11.560 8.793 -7.522 1.00 0.00 N ATOM 1773 CA LYS A 113 -12.449 7.591 -7.574 1.00 0.00 C ATOM 1774 C LYS A 113 -12.989 7.381 -8.993 1.00 0.00 C ATOM 1775 O LYS A 113 -14.108 7.744 -9.298 1.00 0.00 O ATOM 1776 CB LYS A 113 -13.596 7.905 -6.609 1.00 0.00 C ATOM 1777 CG LYS A 113 -13.034 8.444 -5.286 1.00 0.00 C ATOM 1778 CD LYS A 113 -12.122 7.392 -4.642 1.00 0.00 C ATOM 1779 CE LYS A 113 -10.698 7.945 -4.498 1.00 0.00 C ATOM 1780 NZ LYS A 113 -9.844 7.035 -5.311 1.00 0.00 N ATOM 0 H LYS A 113 -10.658 8.639 -7.071 1.00 0.00 H new ATOM 0 HA LYS A 113 -11.918 6.679 -7.301 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -14.267 8.639 -7.055 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -14.184 7.006 -6.425 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -12.475 9.363 -5.465 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -13.850 8.695 -4.609 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -12.512 7.111 -3.664 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -12.110 6.488 -5.251 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -10.635 8.972 -4.859 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -10.382 7.954 -3.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -9.245 7.598 -5.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -9.242 6.469 -4.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -10.448 6.402 -5.873 1.00 0.00 H new ATOM 1794 N ASN A 114 -12.205 6.798 -9.864 1.00 0.00 N ATOM 1795 CA ASN A 114 -12.676 6.567 -11.259 1.00 0.00 C ATOM 1796 C ASN A 114 -11.626 5.779 -12.037 1.00 0.00 C ATOM 1797 O ASN A 114 -10.708 5.219 -11.467 1.00 0.00 O ATOM 1798 CB ASN A 114 -12.857 7.958 -11.864 1.00 0.00 C ATOM 1799 CG ASN A 114 -14.320 8.159 -12.264 1.00 0.00 C ATOM 1800 OD1 ASN A 114 -14.600 8.711 -13.414 1.00 0.00 O flip ATOM 1801 ND2 ASN A 114 -15.218 7.811 -11.524 1.00 0.00 N flip ATOM 0 H ASN A 114 -11.259 6.472 -9.667 1.00 0.00 H new ATOM 0 HA ASN A 114 -13.602 5.993 -11.291 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -12.559 8.720 -11.144 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -12.212 8.073 -12.735 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -15.000 7.380 -10.626 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -16.190 7.950 -11.801 1.00 0.00 H new ATOM 1808 N ALA A 115 -11.752 5.732 -13.335 1.00 0.00 N ATOM 1809 CA ALA A 115 -10.763 4.979 -14.164 1.00 0.00 C ATOM 1810 C ALA A 115 -11.203 4.980 -15.635 1.00 0.00 C ATOM 1811 O ALA A 115 -12.300 5.396 -15.947 1.00 0.00 O ATOM 1812 CB ALA A 115 -10.769 3.557 -13.598 1.00 0.00 C ATOM 0 H ALA A 115 -12.500 6.184 -13.861 1.00 0.00 H new ATOM 0 HA ALA A 115 -9.768 5.422 -14.129 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -10.065 2.940 -14.156 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -10.476 3.582 -12.548 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -11.770 3.135 -13.686 1.00 0.00 H new ATOM 1818 N PRO A 116 -10.330 4.516 -16.499 1.00 0.00 N ATOM 1819 CA PRO A 116 -10.643 4.470 -17.948 1.00 0.00 C ATOM 1820 C PRO A 116 -11.867 3.587 -18.214 1.00 0.00 C ATOM 1821 O PRO A 116 -12.516 3.706 -19.236 1.00 0.00 O ATOM 1822 CB PRO A 116 -9.375 3.855 -18.548 1.00 0.00 C ATOM 1823 CG PRO A 116 -8.374 3.572 -17.411 1.00 0.00 C ATOM 1824 CD PRO A 116 -8.998 4.015 -16.081 1.00 0.00 C ATOM 0 HA PRO A 116 -10.890 5.444 -18.371 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -9.617 2.933 -19.076 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -8.935 4.535 -19.278 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -8.130 2.510 -17.378 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -7.441 4.108 -17.587 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -9.079 3.188 -15.376 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -8.407 4.791 -15.595 1.00 0.00 H new ATOM 1832 N SER A 117 -12.189 2.704 -17.305 1.00 0.00 N ATOM 1833 CA SER A 117 -13.373 1.815 -17.511 1.00 0.00 C ATOM 1834 C SER A 117 -14.644 2.654 -17.673 1.00 0.00 C ATOM 1835 O SER A 117 -14.989 3.447 -16.817 1.00 0.00 O ATOM 1836 CB SER A 117 -13.454 0.961 -16.246 1.00 0.00 C ATOM 1837 OG SER A 117 -14.351 -0.119 -16.467 1.00 0.00 O ATOM 0 H SER A 117 -11.685 2.559 -16.430 1.00 0.00 H new ATOM 0 HA SER A 117 -13.278 1.205 -18.409 1.00 0.00 H new ATOM 0 HB2 SER A 117 -12.466 0.581 -15.986 1.00 0.00 H new ATOM 0 HB3 SER A 117 -13.795 1.566 -15.406 1.00 0.00 H new ATOM 0 HG SER A 117 -14.405 -0.670 -15.659 1.00 0.00 H new ATOM 1843 N THR A 118 -15.342 2.487 -18.764 1.00 0.00 N ATOM 1844 CA THR A 118 -16.591 3.272 -18.984 1.00 0.00 C ATOM 1845 C THR A 118 -17.497 2.557 -19.990 1.00 0.00 C ATOM 1846 O THR A 118 -17.109 2.460 -21.142 1.00 0.00 O ATOM 1847 CB THR A 118 -16.121 4.616 -19.546 1.00 0.00 C ATOM 1848 OG1 THR A 118 -15.205 5.212 -18.638 1.00 0.00 O ATOM 1849 CG2 THR A 118 -17.324 5.540 -19.740 1.00 0.00 C ATOM 0 H THR A 118 -15.101 1.839 -19.514 1.00 0.00 H new ATOM 0 HA THR A 118 -17.169 3.393 -18.068 1.00 0.00 H new ATOM 0 HB THR A 118 -15.631 4.457 -20.506 1.00 0.00 H new ATOM 0 HG1 THR A 118 -15.331 4.827 -17.746 1.00 0.00 H new ATOM 0 HG21 THR A 118 -16.987 6.496 -20.140 1.00 0.00 H new ATOM 0 HG22 THR A 118 -18.026 5.082 -20.437 1.00 0.00 H new ATOM 0 HG23 THR A 118 -17.817 5.701 -18.781 1.00 0.00 H new TER 1857 THR A 118