USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 886 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 32 THR OG1 : rot -158:sc= 0.99 USER MOD Set 1.2: A 35 GLN : amide:sc= 1.16 K(o=2.2,f=0.92) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0031 USER MOD Single : A 15 LYS NZ :NH3+ 168:sc=-0.00213 (180deg=-0.116) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 22 SER OG : rot 72:sc= 1.22 USER MOD Single : A 23 HIS : no HD1:sc= -0.161 X(o=-0.16,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 47:sc= 0.0598 USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -1.6 K(o=-1.6,f=-0.63) USER MOD Single : A 38 THR OG1 : rot 85:sc= 1.19 USER MOD Single : A 41 MET CE :methyl 160:sc= -0.163 (180deg=-0.74) USER MOD Single : A 42 GLN : amide:sc= -0.949 X(o=-0.95,f=-0.56) USER MOD Single : A 43 SER OG : rot 89:sc= 0.617 USER MOD Single : A 44 SER OG : rot 10:sc= 1.14 USER MOD Single : A 47 GLN : amide:sc= -0.753 K(o=-0.75,f=-1.6!) USER MOD Single : A 49 GLN : amide:sc= -0.108 X(o=-0.11,f=-0.21) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.766 K(o=-0.77,f=0) USER MOD Single : A 57 SER OG : rot -160:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 1.45 (180deg=1.45) USER MOD Single : A 66 THR OG1 : rot -129:sc= 0.967 USER MOD Single : A 74 MET CE :methyl -165:sc= -0.0502 (180deg=-0.393) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot -45:sc= 0.209 USER MOD Single : A 84 GLN : amide:sc= -0.163 X(o=-0.16,f=-0.046) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 106 HIS : no HD1:sc= -0.315 X(o=-0.31,f=-0.32) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 108 HIS : no HD1:sc= -0.637 K(o=-0.64,f=0.059) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=-0.0067) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -9.841 15.359 0.504 1.00 0.00 N ATOM 2 CA PRO A 1 -9.139 14.353 1.331 1.00 0.00 C ATOM 3 C PRO A 1 -8.558 15.001 2.584 1.00 0.00 C ATOM 4 O PRO A 1 -8.117 16.150 2.542 1.00 0.00 O ATOM 5 CB PRO A 1 -8.027 13.722 0.505 1.00 0.00 C ATOM 6 CG PRO A 1 -8.220 14.305 -0.852 1.00 0.00 C ATOM 7 CD PRO A 1 -8.969 15.603 -0.656 1.00 0.00 C ATOM 0 H2 PRO A 1 -10.000 16.219 1.030 1.00 0.00 H new ATOM 0 H3 PRO A 1 -10.755 15.017 0.209 1.00 0.00 H new ATOM 0 HA PRO A 1 -9.847 13.585 1.643 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -7.043 13.963 0.908 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -8.108 12.635 0.489 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -7.261 14.480 -1.340 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -8.783 13.624 -1.491 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -8.285 16.431 -0.470 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -9.550 15.862 -1.541 1.00 0.00 H new ATOM 17 N PRO A 2 -8.556 14.277 3.714 1.00 0.00 N ATOM 18 CA PRO A 2 -8.044 14.799 4.984 1.00 0.00 C ATOM 19 C PRO A 2 -6.529 14.978 4.973 1.00 0.00 C ATOM 20 O PRO A 2 -5.826 14.392 4.146 1.00 0.00 O ATOM 21 CB PRO A 2 -8.450 13.729 6.002 1.00 0.00 C ATOM 22 CG PRO A 2 -8.570 12.476 5.207 1.00 0.00 C ATOM 23 CD PRO A 2 -9.045 12.891 3.844 1.00 0.00 C ATOM 0 HA PRO A 2 -8.444 15.789 5.205 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -7.703 13.628 6.789 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -9.393 13.982 6.487 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -7.612 11.960 5.145 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -9.274 11.786 5.672 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -8.638 12.247 3.064 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -10.131 12.840 3.765 1.00 0.00 H new ATOM 31 N VAL A 3 -6.036 15.799 5.886 1.00 0.00 N ATOM 32 CA VAL A 3 -4.606 16.021 6.023 1.00 0.00 C ATOM 33 C VAL A 3 -4.032 15.056 7.053 1.00 0.00 C ATOM 34 O VAL A 3 -4.481 15.033 8.200 1.00 0.00 O ATOM 35 CB VAL A 3 -4.289 17.474 6.441 1.00 0.00 C ATOM 36 CG1 VAL A 3 -2.786 17.688 6.541 1.00 0.00 C ATOM 37 CG2 VAL A 3 -4.907 18.458 5.459 1.00 0.00 C ATOM 0 H VAL A 3 -6.608 16.325 6.546 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.147 15.845 5.050 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.724 17.651 7.424 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.584 18.718 6.837 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.370 17.009 7.285 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.325 17.491 5.573 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -4.674 19.477 5.769 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.502 18.280 4.463 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.988 18.323 5.441 1.00 0.00 H new ATOM 47 N ALA A 4 -3.053 14.256 6.627 1.00 0.00 N ATOM 48 CA ALA A 4 -2.443 13.235 7.482 1.00 0.00 C ATOM 49 C ALA A 4 -3.476 12.174 7.859 1.00 0.00 C ATOM 50 O ALA A 4 -4.485 12.024 7.171 1.00 0.00 O ATOM 51 CB ALA A 4 -1.816 13.863 8.725 1.00 0.00 C ATOM 0 H ALA A 4 -2.662 14.296 5.686 1.00 0.00 H new ATOM 0 HA ALA A 4 -1.643 12.750 6.923 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -1.371 13.082 9.342 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -1.045 14.572 8.425 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -2.584 14.383 9.297 1.00 0.00 H new ATOM 57 N GLU A 5 -3.199 11.422 8.933 1.00 0.00 N ATOM 58 CA GLU A 5 -4.100 10.361 9.409 1.00 0.00 C ATOM 59 C GLU A 5 -4.180 9.225 8.382 1.00 0.00 C ATOM 60 O GLU A 5 -5.011 8.318 8.488 1.00 0.00 O ATOM 61 CB GLU A 5 -5.493 10.948 9.707 1.00 0.00 C ATOM 62 CG GLU A 5 -6.441 10.001 10.425 1.00 0.00 C ATOM 63 CD GLU A 5 -5.918 9.569 11.777 1.00 0.00 C ATOM 64 OE1 GLU A 5 -6.057 10.342 12.750 1.00 0.00 O ATOM 65 OE2 GLU A 5 -5.372 8.450 11.878 1.00 0.00 O ATOM 0 H GLU A 5 -2.353 11.529 9.492 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.702 9.943 10.334 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -5.372 11.847 10.312 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -5.951 11.256 8.767 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -7.408 10.488 10.552 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.607 9.120 9.805 1.00 0.00 H new ATOM 72 N TRP A 6 -3.252 9.265 7.424 1.00 0.00 N ATOM 73 CA TRP A 6 -3.234 8.350 6.293 1.00 0.00 C ATOM 74 C TRP A 6 -4.454 8.601 5.411 1.00 0.00 C ATOM 75 O TRP A 6 -5.579 8.221 5.749 1.00 0.00 O ATOM 76 CB TRP A 6 -3.162 6.889 6.753 1.00 0.00 C ATOM 77 CG TRP A 6 -2.807 5.945 5.648 1.00 0.00 C ATOM 78 CD1 TRP A 6 -2.067 6.233 4.538 1.00 0.00 C ATOM 79 CD2 TRP A 6 -3.158 4.563 5.551 1.00 0.00 C ATOM 80 NE1 TRP A 6 -1.946 5.117 3.752 1.00 0.00 N ATOM 81 CE2 TRP A 6 -2.605 4.078 4.351 1.00 0.00 C ATOM 82 CE3 TRP A 6 -3.888 3.687 6.360 1.00 0.00 C ATOM 83 CZ2 TRP A 6 -2.762 2.760 3.943 1.00 0.00 C ATOM 84 CZ3 TRP A 6 -4.043 2.377 5.952 1.00 0.00 C ATOM 85 CH2 TRP A 6 -3.480 1.924 4.754 1.00 0.00 C ATOM 0 H TRP A 6 -2.488 9.941 7.416 1.00 0.00 H new ATOM 0 HA TRP A 6 -2.335 8.537 5.706 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -2.424 6.801 7.550 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -4.124 6.599 7.176 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -1.639 7.199 4.312 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -1.446 5.069 2.864 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -4.323 4.029 7.288 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -2.332 2.407 3.017 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -4.607 1.692 6.567 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -3.615 0.893 4.463 1.00 0.00 H new ATOM 96 N ALA A 7 -4.215 9.254 4.275 1.00 0.00 N ATOM 97 CA ALA A 7 -5.287 9.767 3.425 1.00 0.00 C ATOM 98 C ALA A 7 -5.982 8.669 2.624 1.00 0.00 C ATOM 99 O ALA A 7 -5.856 8.588 1.399 1.00 0.00 O ATOM 100 CB ALA A 7 -4.759 10.850 2.496 1.00 0.00 C ATOM 0 H ALA A 7 -3.278 9.442 3.920 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.037 10.197 4.089 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.571 11.220 1.870 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.353 11.671 3.088 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.974 10.436 1.864 1.00 0.00 H new ATOM 106 N VAL A 8 -6.682 7.809 3.338 1.00 0.00 N ATOM 107 CA VAL A 8 -7.553 6.817 2.738 1.00 0.00 C ATOM 108 C VAL A 8 -8.807 6.641 3.598 1.00 0.00 C ATOM 109 O VAL A 8 -8.714 6.474 4.818 1.00 0.00 O ATOM 110 CB VAL A 8 -6.818 5.466 2.551 1.00 0.00 C ATOM 111 CG1 VAL A 8 -6.301 4.927 3.876 1.00 0.00 C ATOM 112 CG2 VAL A 8 -7.710 4.443 1.865 1.00 0.00 C ATOM 0 H VAL A 8 -6.662 7.779 4.357 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.849 7.167 1.749 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.959 5.651 1.906 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.791 3.978 3.709 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.604 5.642 4.312 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.138 4.774 4.558 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.166 3.506 1.748 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.600 4.273 2.470 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.004 4.816 0.884 1.00 0.00 H new ATOM 122 N PRO A 9 -9.998 6.719 2.973 1.00 0.00 N ATOM 123 CA PRO A 9 -11.284 6.630 3.682 1.00 0.00 C ATOM 124 C PRO A 9 -11.414 5.371 4.538 1.00 0.00 C ATOM 125 O PRO A 9 -10.972 4.286 4.148 1.00 0.00 O ATOM 126 CB PRO A 9 -12.316 6.616 2.554 1.00 0.00 C ATOM 127 CG PRO A 9 -11.638 7.292 1.414 1.00 0.00 C ATOM 128 CD PRO A 9 -10.188 6.921 1.525 1.00 0.00 C ATOM 0 HA PRO A 9 -11.406 7.454 4.385 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -12.606 5.598 2.295 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.226 7.143 2.843 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -12.054 6.964 0.461 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.771 8.373 1.465 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.960 6.017 0.960 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.541 7.709 1.141 1.00 0.00 H new ATOM 136 N GLN A 10 -12.035 5.529 5.703 1.00 0.00 N ATOM 137 CA GLN A 10 -12.190 4.435 6.659 1.00 0.00 C ATOM 138 C GLN A 10 -12.980 3.269 6.070 1.00 0.00 C ATOM 139 O GLN A 10 -12.686 2.112 6.364 1.00 0.00 O ATOM 140 CB GLN A 10 -12.855 4.930 7.945 1.00 0.00 C ATOM 141 CG GLN A 10 -14.213 5.573 7.729 1.00 0.00 C ATOM 142 CD GLN A 10 -14.852 6.034 9.022 1.00 0.00 C ATOM 143 OE1 GLN A 10 -14.655 7.168 9.458 1.00 0.00 O ATOM 144 NE2 GLN A 10 -15.625 5.159 9.643 1.00 0.00 N ATOM 0 H GLN A 10 -12.443 6.412 6.011 1.00 0.00 H new ATOM 0 HA GLN A 10 -11.190 4.070 6.895 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -12.967 4.090 8.631 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -12.196 5.651 8.429 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -14.105 6.425 7.058 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -14.874 4.860 7.235 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -15.762 4.229 9.248 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -16.084 5.414 10.517 1.00 0.00 H new ATOM 153 N SER A 11 -13.968 3.571 5.234 1.00 0.00 N ATOM 154 CA SER A 11 -14.762 2.535 4.589 1.00 0.00 C ATOM 155 C SER A 11 -13.877 1.662 3.705 1.00 0.00 C ATOM 156 O SER A 11 -13.992 0.436 3.707 1.00 0.00 O ATOM 157 CB SER A 11 -15.878 3.175 3.762 1.00 0.00 C ATOM 158 OG SER A 11 -16.631 4.087 4.548 1.00 0.00 O ATOM 0 H SER A 11 -14.237 4.524 4.988 1.00 0.00 H new ATOM 0 HA SER A 11 -15.210 1.903 5.356 1.00 0.00 H new ATOM 0 HB2 SER A 11 -15.449 3.695 2.905 1.00 0.00 H new ATOM 0 HB3 SER A 11 -16.535 2.399 3.368 1.00 0.00 H new ATOM 0 HG SER A 11 -17.338 4.486 3.999 1.00 0.00 H new ATOM 164 N SER A 12 -12.972 2.307 2.976 1.00 0.00 N ATOM 165 CA SER A 12 -12.037 1.606 2.116 1.00 0.00 C ATOM 166 C SER A 12 -11.076 0.768 2.955 1.00 0.00 C ATOM 167 O SER A 12 -10.789 -0.383 2.626 1.00 0.00 O ATOM 168 CB SER A 12 -11.260 2.618 1.277 1.00 0.00 C ATOM 169 OG SER A 12 -12.130 3.611 0.753 1.00 0.00 O ATOM 0 H SER A 12 -12.870 3.322 2.967 1.00 0.00 H new ATOM 0 HA SER A 12 -12.589 0.939 1.454 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.489 3.088 1.888 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.751 2.106 0.460 1.00 0.00 H new ATOM 0 HG SER A 12 -11.613 4.251 0.220 1.00 0.00 H new ATOM 175 N ARG A 13 -10.609 1.351 4.056 1.00 0.00 N ATOM 176 CA ARG A 13 -9.688 0.675 4.961 1.00 0.00 C ATOM 177 C ARG A 13 -10.306 -0.616 5.495 1.00 0.00 C ATOM 178 O ARG A 13 -9.624 -1.628 5.627 1.00 0.00 O ATOM 179 CB ARG A 13 -9.300 1.612 6.113 1.00 0.00 C ATOM 180 CG ARG A 13 -8.573 2.867 5.644 1.00 0.00 C ATOM 181 CD ARG A 13 -8.479 3.937 6.731 1.00 0.00 C ATOM 182 NE ARG A 13 -7.506 3.611 7.777 1.00 0.00 N ATOM 183 CZ ARG A 13 -6.607 4.482 8.255 1.00 0.00 C ATOM 184 NH1 ARG A 13 -6.545 5.718 7.759 1.00 0.00 N ATOM 185 NH2 ARG A 13 -5.772 4.118 9.226 1.00 0.00 N ATOM 0 H ARG A 13 -10.857 2.298 4.343 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.786 0.411 4.409 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -10.199 1.902 6.656 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.664 1.072 6.814 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -7.569 2.599 5.317 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.091 3.279 4.778 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -8.206 4.888 6.273 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -9.461 4.072 7.186 1.00 0.00 H new ATOM 0 HE ARG A 13 -7.513 2.667 8.163 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -7.182 6.001 7.015 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.860 6.380 8.124 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -5.815 3.173 9.608 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.089 4.784 9.587 1.00 0.00 H new ATOM 199 N LEU A 14 -11.603 -0.578 5.776 1.00 0.00 N ATOM 200 CA LEU A 14 -12.322 -1.746 6.260 1.00 0.00 C ATOM 201 C LEU A 14 -12.500 -2.790 5.155 1.00 0.00 C ATOM 202 O LEU A 14 -12.226 -3.975 5.356 1.00 0.00 O ATOM 203 CB LEU A 14 -13.690 -1.322 6.798 1.00 0.00 C ATOM 204 CG LEU A 14 -13.664 -0.413 8.027 1.00 0.00 C ATOM 205 CD1 LEU A 14 -15.080 -0.048 8.443 1.00 0.00 C ATOM 206 CD2 LEU A 14 -12.929 -1.087 9.175 1.00 0.00 C ATOM 0 H LEU A 14 -12.180 0.257 5.675 1.00 0.00 H new ATOM 0 HA LEU A 14 -11.735 -2.199 7.059 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -14.231 -0.811 6.002 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -14.258 -2.219 7.044 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.131 0.502 7.769 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -15.046 0.599 9.319 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.576 0.474 7.625 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -15.634 -0.955 8.683 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -12.921 -0.425 10.041 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -13.434 -2.017 9.434 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -11.904 -1.303 8.874 1.00 0.00 H new ATOM 218 N LYS A 15 -12.949 -2.339 3.989 1.00 0.00 N ATOM 219 CA LYS A 15 -13.249 -3.232 2.871 1.00 0.00 C ATOM 220 C LYS A 15 -12.006 -3.982 2.402 1.00 0.00 C ATOM 221 O LYS A 15 -12.057 -5.182 2.145 1.00 0.00 O ATOM 222 CB LYS A 15 -13.841 -2.436 1.706 1.00 0.00 C ATOM 223 CG LYS A 15 -14.285 -3.298 0.535 1.00 0.00 C ATOM 224 CD LYS A 15 -14.812 -2.450 -0.610 1.00 0.00 C ATOM 225 CE LYS A 15 -15.337 -3.309 -1.750 1.00 0.00 C ATOM 226 NZ LYS A 15 -16.557 -4.071 -1.368 1.00 0.00 N ATOM 0 H LYS A 15 -13.115 -1.352 3.791 1.00 0.00 H new ATOM 0 HA LYS A 15 -13.976 -3.966 3.220 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -14.695 -1.863 2.067 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -13.100 -1.718 1.356 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -13.446 -3.901 0.187 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -15.060 -3.990 0.864 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -15.609 -1.802 -0.246 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -14.017 -1.802 -0.979 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.562 -2.674 -2.607 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -14.560 -4.006 -2.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -16.993 -4.478 -2.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -16.298 -4.836 -0.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -17.234 -3.432 -0.904 1.00 0.00 H new ATOM 240 N TYR A 16 -10.887 -3.282 2.297 1.00 0.00 N ATOM 241 CA TYR A 16 -9.660 -3.910 1.829 1.00 0.00 C ATOM 242 C TYR A 16 -8.914 -4.568 2.984 1.00 0.00 C ATOM 243 O TYR A 16 -7.921 -5.261 2.773 1.00 0.00 O ATOM 244 CB TYR A 16 -8.765 -2.896 1.112 1.00 0.00 C ATOM 245 CG TYR A 16 -9.429 -2.246 -0.084 1.00 0.00 C ATOM 246 CD1 TYR A 16 -9.841 -3.005 -1.174 1.00 0.00 C ATOM 247 CD2 TYR A 16 -9.666 -0.879 -0.112 1.00 0.00 C ATOM 248 CE1 TYR A 16 -10.458 -2.414 -2.262 1.00 0.00 C ATOM 249 CE2 TYR A 16 -10.284 -0.282 -1.194 1.00 0.00 C ATOM 250 CZ TYR A 16 -10.683 -1.053 -2.263 1.00 0.00 C ATOM 251 OH TYR A 16 -11.297 -0.456 -3.339 1.00 0.00 O ATOM 0 H TYR A 16 -10.802 -2.292 2.526 1.00 0.00 H new ATOM 0 HA TYR A 16 -9.931 -4.686 1.113 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -8.468 -2.121 1.819 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -7.853 -3.395 0.785 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -9.677 -4.072 -1.171 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -9.362 -0.271 0.727 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -10.762 -3.015 -3.106 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -10.453 0.785 -1.201 1.00 0.00 H new ATOM 0 HH TYR A 16 -11.379 0.507 -3.176 1.00 0.00 H new ATOM 261 N ARG A 17 -9.389 -4.353 4.205 1.00 0.00 N ATOM 262 CA ARG A 17 -8.909 -5.122 5.345 1.00 0.00 C ATOM 263 C ARG A 17 -9.533 -6.505 5.284 1.00 0.00 C ATOM 264 O ARG A 17 -8.954 -7.475 5.737 1.00 0.00 O ATOM 265 CB ARG A 17 -9.251 -4.427 6.674 1.00 0.00 C ATOM 266 CG ARG A 17 -8.801 -5.195 7.913 1.00 0.00 C ATOM 267 CD ARG A 17 -9.905 -6.096 8.454 1.00 0.00 C ATOM 268 NE ARG A 17 -10.950 -5.334 9.136 1.00 0.00 N ATOM 269 CZ ARG A 17 -12.252 -5.627 9.092 1.00 0.00 C ATOM 270 NH1 ARG A 17 -12.695 -6.639 8.358 1.00 0.00 N ATOM 271 NH2 ARG A 17 -13.106 -4.899 9.798 1.00 0.00 N ATOM 0 H ARG A 17 -10.101 -3.658 4.430 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.823 -5.200 5.299 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.790 -3.440 6.684 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.329 -4.276 6.725 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -7.927 -5.798 7.669 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.496 -4.490 8.686 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -10.346 -6.661 7.633 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -9.475 -6.821 9.145 1.00 0.00 H new ATOM 0 HE ARG A 17 -10.665 -4.522 9.683 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -12.039 -7.204 7.819 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -13.692 -6.853 8.333 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -12.766 -4.124 10.367 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -14.103 -5.114 9.772 1.00 0.00 H new ATOM 285 N GLN A 18 -10.715 -6.561 4.690 1.00 0.00 N ATOM 286 CA GLN A 18 -11.474 -7.793 4.502 1.00 0.00 C ATOM 287 C GLN A 18 -10.855 -8.682 3.424 1.00 0.00 C ATOM 288 O GLN A 18 -11.181 -9.864 3.298 1.00 0.00 O ATOM 289 CB GLN A 18 -12.881 -7.410 4.066 1.00 0.00 C ATOM 290 CG GLN A 18 -13.956 -7.676 5.099 1.00 0.00 C ATOM 291 CD GLN A 18 -15.344 -7.341 4.588 1.00 0.00 C ATOM 292 OE1 GLN A 18 -15.615 -7.415 3.387 1.00 0.00 O ATOM 293 NE2 GLN A 18 -16.233 -6.970 5.494 1.00 0.00 N ATOM 0 H GLN A 18 -11.185 -5.736 4.317 1.00 0.00 H new ATOM 0 HA GLN A 18 -11.475 -8.351 5.438 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -12.893 -6.350 3.813 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -13.127 -7.957 3.156 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -13.923 -8.725 5.392 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -13.750 -7.089 5.994 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -15.969 -6.922 6.478 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -17.183 -6.732 5.209 1.00 0.00 H new ATOM 302 N LEU A 19 -9.961 -8.095 2.661 1.00 0.00 N ATOM 303 CA LEU A 19 -9.468 -8.681 1.417 1.00 0.00 C ATOM 304 C LEU A 19 -8.191 -7.994 1.025 1.00 0.00 C ATOM 305 O LEU A 19 -7.989 -7.742 -0.154 1.00 0.00 O ATOM 306 CB LEU A 19 -10.474 -8.365 0.325 1.00 0.00 C ATOM 307 CG LEU A 19 -10.601 -9.394 -0.797 1.00 0.00 C ATOM 308 CD1 LEU A 19 -11.030 -10.741 -0.245 1.00 0.00 C ATOM 309 CD2 LEU A 19 -11.585 -8.912 -1.853 1.00 0.00 C ATOM 0 H LEU A 19 -9.547 -7.189 2.881 1.00 0.00 H new ATOM 0 HA LEU A 19 -9.317 -9.753 1.546 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.453 -8.241 0.788 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.207 -7.406 -0.119 1.00 0.00 H new ATOM 0 HG LEU A 19 -9.623 -9.513 -1.264 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -11.114 -11.459 -1.061 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -10.289 -11.093 0.473 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -11.996 -10.640 0.251 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -11.663 -9.657 -2.645 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -12.564 -8.763 -1.397 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -11.234 -7.970 -2.275 1.00 0.00 H new ATOM 321 N PHE A 20 -7.287 -7.726 1.945 1.00 0.00 N ATOM 322 CA PHE A 20 -6.609 -8.697 2.839 1.00 0.00 C ATOM 323 C PHE A 20 -7.408 -9.874 3.432 1.00 0.00 C ATOM 324 O PHE A 20 -7.375 -10.958 2.863 1.00 0.00 O ATOM 325 CB PHE A 20 -5.937 -7.929 3.977 1.00 0.00 C ATOM 326 CG PHE A 20 -4.661 -8.564 4.441 1.00 0.00 C ATOM 327 CD1 PHE A 20 -3.488 -8.361 3.736 1.00 0.00 C ATOM 328 CD2 PHE A 20 -4.632 -9.363 5.571 1.00 0.00 C ATOM 329 CE1 PHE A 20 -2.308 -8.943 4.148 1.00 0.00 C ATOM 330 CE2 PHE A 20 -3.454 -9.950 5.987 1.00 0.00 C ATOM 331 CZ PHE A 20 -2.290 -9.738 5.275 1.00 0.00 C ATOM 0 H PHE A 20 -6.973 -6.770 2.114 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.920 -9.202 2.162 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.730 -6.911 3.648 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.628 -7.859 4.817 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.497 -7.739 2.853 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -5.540 -9.529 6.132 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.399 -8.777 3.589 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -3.443 -10.574 6.868 1.00 0.00 H new ATOM 0 HZ PHE A 20 -1.367 -10.194 5.600 1.00 0.00 H new ATOM 341 N ASN A 21 -8.139 -9.654 4.522 1.00 0.00 N ATOM 342 CA ASN A 21 -8.417 -10.703 5.539 1.00 0.00 C ATOM 343 C ASN A 21 -8.867 -12.060 4.986 1.00 0.00 C ATOM 344 O ASN A 21 -8.426 -13.093 5.484 1.00 0.00 O ATOM 345 CB ASN A 21 -9.472 -10.203 6.528 1.00 0.00 C ATOM 346 CG ASN A 21 -9.747 -11.191 7.644 1.00 0.00 C ATOM 347 OD1 ASN A 21 -10.653 -12.020 7.549 1.00 0.00 O ATOM 348 ND2 ASN A 21 -8.963 -11.113 8.708 1.00 0.00 N ATOM 0 H ASN A 21 -8.561 -8.751 4.738 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.455 -10.880 6.020 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -9.140 -9.258 6.959 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -10.399 -10.001 5.992 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.098 -11.755 9.489 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -8.224 -10.411 8.746 1.00 0.00 H new ATOM 355 N SER A 22 -9.721 -12.084 3.979 1.00 0.00 N ATOM 356 CA SER A 22 -10.174 -13.350 3.409 1.00 0.00 C ATOM 357 C SER A 22 -8.995 -14.178 2.875 1.00 0.00 C ATOM 358 O SER A 22 -9.086 -15.396 2.745 1.00 0.00 O ATOM 359 CB SER A 22 -11.186 -13.089 2.304 1.00 0.00 C ATOM 360 OG SER A 22 -12.277 -12.317 2.784 1.00 0.00 O ATOM 0 H SER A 22 -10.115 -11.252 3.539 1.00 0.00 H new ATOM 0 HA SER A 22 -10.651 -13.928 4.200 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.702 -12.567 1.479 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.552 -14.037 1.910 1.00 0.00 H new ATOM 0 HG SER A 22 -11.983 -11.395 2.936 1.00 0.00 H new ATOM 366 N HIS A 23 -7.894 -13.502 2.563 1.00 0.00 N ATOM 367 CA HIS A 23 -6.696 -14.160 2.052 1.00 0.00 C ATOM 368 C HIS A 23 -5.632 -14.301 3.144 1.00 0.00 C ATOM 369 O HIS A 23 -4.479 -14.615 2.855 1.00 0.00 O ATOM 370 CB HIS A 23 -6.118 -13.382 0.860 1.00 0.00 C ATOM 371 CG HIS A 23 -6.958 -13.461 -0.380 1.00 0.00 C ATOM 372 ND1 HIS A 23 -6.658 -14.286 -1.443 1.00 0.00 N ATOM 373 CD2 HIS A 23 -8.091 -12.806 -0.731 1.00 0.00 C ATOM 374 CE1 HIS A 23 -7.565 -14.133 -2.389 1.00 0.00 C ATOM 375 NE2 HIS A 23 -8.447 -13.242 -1.983 1.00 0.00 N ATOM 0 H HIS A 23 -7.807 -12.490 2.656 1.00 0.00 H new ATOM 0 HA HIS A 23 -6.984 -15.158 1.721 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -6.002 -12.336 1.143 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.122 -13.764 0.638 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -8.617 -12.075 -0.135 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -7.582 -14.651 -3.337 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -9.261 -12.928 -2.512 1.00 0.00 H new ATOM 384 N ASP A 24 -6.021 -14.076 4.394 1.00 0.00 N ATOM 385 CA ASP A 24 -5.104 -14.234 5.526 1.00 0.00 C ATOM 386 C ASP A 24 -5.189 -15.655 6.061 1.00 0.00 C ATOM 387 O ASP A 24 -6.285 -16.163 6.314 1.00 0.00 O ATOM 388 CB ASP A 24 -5.438 -13.241 6.647 1.00 0.00 C ATOM 389 CG ASP A 24 -4.507 -13.353 7.844 1.00 0.00 C ATOM 390 OD1 ASP A 24 -4.669 -14.291 8.657 1.00 0.00 O ATOM 391 OD2 ASP A 24 -3.624 -12.487 7.995 1.00 0.00 O ATOM 0 H ASP A 24 -6.963 -13.784 4.653 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.091 -14.032 5.177 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.390 -12.227 6.251 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.464 -13.406 6.976 1.00 0.00 H new ATOM 396 N LYS A 25 -4.043 -16.307 6.211 1.00 0.00 N ATOM 397 CA LYS A 25 -4.018 -17.672 6.710 1.00 0.00 C ATOM 398 C LYS A 25 -2.978 -17.871 7.811 1.00 0.00 C ATOM 399 O LYS A 25 -3.332 -18.007 8.983 1.00 0.00 O ATOM 400 CB LYS A 25 -3.778 -18.667 5.572 1.00 0.00 C ATOM 401 CG LYS A 25 -4.891 -18.677 4.541 1.00 0.00 C ATOM 402 CD LYS A 25 -4.947 -19.998 3.796 1.00 0.00 C ATOM 403 CE LYS A 25 -6.151 -20.061 2.871 1.00 0.00 C ATOM 404 NZ LYS A 25 -5.996 -19.184 1.679 1.00 0.00 N ATOM 0 H LYS A 25 -3.126 -15.915 5.996 1.00 0.00 H new ATOM 0 HA LYS A 25 -4.998 -17.862 7.147 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.837 -18.424 5.079 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.670 -19.668 5.990 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.846 -18.495 5.033 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.738 -17.864 3.831 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.033 -20.130 3.216 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.992 -20.819 4.511 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.302 -21.090 2.545 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -7.045 -19.767 3.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.842 -19.261 1.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.879 -18.198 1.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.159 -19.479 1.137 1.00 0.00 H new ATOM 418 N THR A 26 -1.701 -17.886 7.447 1.00 0.00 N ATOM 419 CA THR A 26 -0.662 -18.255 8.400 1.00 0.00 C ATOM 420 C THR A 26 0.531 -17.300 8.396 1.00 0.00 C ATOM 421 O THR A 26 1.288 -17.257 7.428 1.00 0.00 O ATOM 422 CB THR A 26 -0.168 -19.691 8.130 1.00 0.00 C ATOM 423 OG1 THR A 26 0.052 -19.882 6.726 1.00 0.00 O ATOM 424 CG2 THR A 26 -1.174 -20.714 8.640 1.00 0.00 C ATOM 0 H THR A 26 -1.364 -17.651 6.514 1.00 0.00 H new ATOM 0 HA THR A 26 -1.122 -18.192 9.386 1.00 0.00 H new ATOM 0 HB THR A 26 0.772 -19.834 8.663 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.555 -19.122 6.367 1.00 0.00 H new ATOM 0 HG21 THR A 26 -0.804 -21.719 8.439 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.311 -20.586 9.714 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.128 -20.570 8.133 1.00 0.00 H new ATOM 432 N MET A 27 0.647 -16.537 9.499 1.00 0.00 N ATOM 433 CA MET A 27 1.840 -15.739 9.882 1.00 0.00 C ATOM 434 C MET A 27 2.325 -14.729 8.834 1.00 0.00 C ATOM 435 O MET A 27 2.430 -15.019 7.643 1.00 0.00 O ATOM 436 CB MET A 27 3.004 -16.645 10.336 1.00 0.00 C ATOM 437 CG MET A 27 3.555 -17.569 9.264 1.00 0.00 C ATOM 438 SD MET A 27 4.816 -18.696 9.888 1.00 0.00 S ATOM 439 CE MET A 27 5.080 -19.713 8.440 1.00 0.00 C ATOM 0 H MET A 27 -0.111 -16.452 10.176 1.00 0.00 H new ATOM 0 HA MET A 27 1.493 -15.135 10.721 1.00 0.00 H new ATOM 0 HB2 MET A 27 3.814 -16.014 10.702 1.00 0.00 H new ATOM 0 HB3 MET A 27 2.666 -17.250 11.177 1.00 0.00 H new ATOM 0 HG2 MET A 27 2.737 -18.148 8.836 1.00 0.00 H new ATOM 0 HG3 MET A 27 3.978 -16.970 8.457 1.00 0.00 H new ATOM 0 HE1 MET A 27 5.837 -20.467 8.658 1.00 0.00 H new ATOM 0 HE2 MET A 27 4.147 -20.205 8.166 1.00 0.00 H new ATOM 0 HE3 MET A 27 5.418 -19.088 7.613 1.00 0.00 H new ATOM 449 N SER A 28 2.648 -13.531 9.337 1.00 0.00 N ATOM 450 CA SER A 28 3.145 -12.425 8.547 1.00 0.00 C ATOM 451 C SER A 28 2.000 -11.798 7.791 1.00 0.00 C ATOM 452 O SER A 28 1.608 -12.270 6.725 1.00 0.00 O ATOM 453 CB SER A 28 4.282 -12.849 7.615 1.00 0.00 C ATOM 454 OG SER A 28 5.417 -13.263 8.361 1.00 0.00 O ATOM 0 H SER A 28 2.565 -13.311 10.329 1.00 0.00 H new ATOM 0 HA SER A 28 3.573 -11.680 9.219 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.947 -13.663 6.972 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.553 -12.019 6.963 1.00 0.00 H new ATOM 0 HG SER A 28 6.132 -13.532 7.747 1.00 0.00 H new ATOM 460 N GLY A 29 1.449 -10.747 8.392 1.00 0.00 N ATOM 461 CA GLY A 29 0.308 -10.053 7.836 1.00 0.00 C ATOM 462 C GLY A 29 0.632 -9.309 6.560 1.00 0.00 C ATOM 463 O GLY A 29 0.467 -8.093 6.478 1.00 0.00 O ATOM 0 H GLY A 29 1.784 -10.359 9.274 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.487 -10.772 7.639 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.076 -9.348 8.573 1.00 0.00 H new ATOM 467 N HIS A 30 1.108 -10.040 5.572 1.00 0.00 N ATOM 468 CA HIS A 30 1.322 -9.481 4.242 1.00 0.00 C ATOM 469 C HIS A 30 1.066 -10.516 3.157 1.00 0.00 C ATOM 470 O HIS A 30 1.155 -11.719 3.395 1.00 0.00 O ATOM 471 CB HIS A 30 2.739 -8.907 4.094 1.00 0.00 C ATOM 472 CG HIS A 30 3.849 -9.917 4.162 1.00 0.00 C ATOM 473 ND1 HIS A 30 4.744 -9.981 5.206 1.00 0.00 N ATOM 474 CD2 HIS A 30 4.230 -10.877 3.286 1.00 0.00 C ATOM 475 CE1 HIS A 30 5.626 -10.934 4.966 1.00 0.00 C ATOM 476 NE2 HIS A 30 5.337 -11.494 3.809 1.00 0.00 N ATOM 0 H HIS A 30 1.356 -11.025 5.660 1.00 0.00 H new ATOM 0 HA HIS A 30 0.606 -8.668 4.121 1.00 0.00 H new ATOM 0 HB2 HIS A 30 2.804 -8.383 3.140 1.00 0.00 H new ATOM 0 HB3 HIS A 30 2.896 -8.165 4.876 1.00 0.00 H new ATOM 0 HD2 HIS A 30 3.750 -11.113 2.348 1.00 0.00 H new ATOM 0 HE1 HIS A 30 6.448 -11.209 5.611 1.00 0.00 H new ATOM 0 HE2 HIS A 30 5.852 -12.260 3.374 1.00 0.00 H new ATOM 485 N LEU A 31 0.768 -10.030 1.966 1.00 0.00 N ATOM 486 CA LEU A 31 0.581 -10.883 0.807 1.00 0.00 C ATOM 487 C LEU A 31 1.839 -10.843 -0.047 1.00 0.00 C ATOM 488 O LEU A 31 2.624 -9.901 0.049 1.00 0.00 O ATOM 489 CB LEU A 31 -0.630 -10.425 -0.011 1.00 0.00 C ATOM 490 CG LEU A 31 -1.965 -10.449 0.737 1.00 0.00 C ATOM 491 CD1 LEU A 31 -3.078 -9.909 -0.144 1.00 0.00 C ATOM 492 CD2 LEU A 31 -2.293 -11.860 1.207 1.00 0.00 C ATOM 0 H LEU A 31 0.649 -9.035 1.775 1.00 0.00 H new ATOM 0 HA LEU A 31 0.396 -11.905 1.139 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.447 -9.410 -0.364 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.714 -11.060 -0.893 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.877 -9.808 1.614 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.020 -9.933 0.404 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.851 -8.882 -0.429 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.163 -10.524 -1.040 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.246 -11.855 1.736 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.360 -12.524 0.345 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.508 -12.212 1.876 1.00 0.00 H new ATOM 504 N THR A 32 2.037 -11.854 -0.873 1.00 0.00 N ATOM 505 CA THR A 32 3.231 -11.927 -1.698 1.00 0.00 C ATOM 506 C THR A 32 3.017 -11.243 -3.046 1.00 0.00 C ATOM 507 O THR A 32 1.900 -10.825 -3.365 1.00 0.00 O ATOM 508 CB THR A 32 3.670 -13.387 -1.909 1.00 0.00 C ATOM 509 OG1 THR A 32 2.533 -14.203 -2.216 1.00 0.00 O ATOM 510 CG2 THR A 32 4.372 -13.923 -0.668 1.00 0.00 C ATOM 0 H THR A 32 1.390 -12.634 -0.991 1.00 0.00 H new ATOM 0 HA THR A 32 4.024 -11.399 -1.168 1.00 0.00 H new ATOM 0 HB THR A 32 4.370 -13.418 -2.744 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.736 -15.139 -2.008 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.674 -14.956 -0.839 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.254 -13.317 -0.458 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.691 -13.880 0.182 1.00 0.00 H new ATOM 518 N GLY A 33 4.091 -11.138 -3.825 1.00 0.00 N ATOM 519 CA GLY A 33 4.046 -10.456 -5.109 1.00 0.00 C ATOM 520 C GLY A 33 2.932 -10.949 -6.014 1.00 0.00 C ATOM 521 O GLY A 33 2.022 -10.185 -6.342 1.00 0.00 O ATOM 0 H GLY A 33 5.006 -11.520 -3.585 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.920 -9.387 -4.940 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.002 -10.588 -5.616 1.00 0.00 H new ATOM 525 N PRO A 34 2.980 -12.224 -6.447 1.00 0.00 N ATOM 526 CA PRO A 34 1.952 -12.802 -7.321 1.00 0.00 C ATOM 527 C PRO A 34 0.539 -12.605 -6.775 1.00 0.00 C ATOM 528 O PRO A 34 -0.368 -12.241 -7.517 1.00 0.00 O ATOM 529 CB PRO A 34 2.309 -14.290 -7.361 1.00 0.00 C ATOM 530 CG PRO A 34 3.769 -14.337 -7.077 1.00 0.00 C ATOM 531 CD PRO A 34 4.046 -13.199 -6.135 1.00 0.00 C ATOM 0 HA PRO A 34 1.943 -12.326 -8.302 1.00 0.00 H new ATOM 0 HB2 PRO A 34 1.743 -14.853 -6.619 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.081 -14.726 -8.334 1.00 0.00 H new ATOM 0 HG2 PRO A 34 4.049 -15.291 -6.629 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.348 -14.234 -7.995 1.00 0.00 H new ATOM 0 HD2 PRO A 34 4.004 -13.520 -5.094 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.037 -12.776 -6.298 1.00 0.00 H new ATOM 539 N GLN A 35 0.363 -12.814 -5.473 1.00 0.00 N ATOM 540 CA GLN A 35 -0.951 -12.678 -4.852 1.00 0.00 C ATOM 541 C GLN A 35 -1.457 -11.245 -4.956 1.00 0.00 C ATOM 542 O GLN A 35 -2.601 -11.011 -5.352 1.00 0.00 O ATOM 543 CB GLN A 35 -0.909 -13.115 -3.388 1.00 0.00 C ATOM 544 CG GLN A 35 -0.673 -14.604 -3.206 1.00 0.00 C ATOM 545 CD GLN A 35 -0.886 -15.057 -1.775 1.00 0.00 C ATOM 546 OE1 GLN A 35 -1.995 -15.427 -1.391 1.00 0.00 O ATOM 547 NE2 GLN A 35 0.170 -15.032 -0.980 1.00 0.00 N ATOM 0 H GLN A 35 1.110 -13.077 -4.830 1.00 0.00 H new ATOM 0 HA GLN A 35 -1.641 -13.329 -5.390 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -0.120 -12.565 -2.876 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -1.850 -12.843 -2.909 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -1.345 -15.158 -3.862 1.00 0.00 H new ATOM 0 HG3 GLN A 35 0.344 -14.847 -3.513 1.00 0.00 H new ATOM 0 HE21 GLN A 35 1.072 -14.718 -1.339 1.00 0.00 H new ATOM 0 HE22 GLN A 35 0.083 -15.327 -0.007 1.00 0.00 H new ATOM 556 N ALA A 36 -0.596 -10.290 -4.618 1.00 0.00 N ATOM 557 CA ALA A 36 -0.937 -8.878 -4.716 1.00 0.00 C ATOM 558 C ALA A 36 -1.264 -8.504 -6.159 1.00 0.00 C ATOM 559 O ALA A 36 -2.274 -7.860 -6.437 1.00 0.00 O ATOM 560 CB ALA A 36 0.209 -8.027 -4.197 1.00 0.00 C ATOM 0 H ALA A 36 0.346 -10.471 -4.273 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.820 -8.691 -4.105 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.056 -6.973 -4.275 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.404 -8.276 -3.154 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.103 -8.221 -4.789 1.00 0.00 H new ATOM 566 N ARG A 37 -0.410 -8.946 -7.075 1.00 0.00 N ATOM 567 CA ARG A 37 -0.568 -8.653 -8.496 1.00 0.00 C ATOM 568 C ARG A 37 -1.859 -9.241 -9.053 1.00 0.00 C ATOM 569 O ARG A 37 -2.534 -8.612 -9.863 1.00 0.00 O ATOM 570 CB ARG A 37 0.615 -9.216 -9.277 1.00 0.00 C ATOM 571 CG ARG A 37 1.923 -8.486 -9.038 1.00 0.00 C ATOM 572 CD ARG A 37 3.052 -9.166 -9.788 1.00 0.00 C ATOM 573 NE ARG A 37 4.329 -8.473 -9.643 1.00 0.00 N ATOM 574 CZ ARG A 37 5.494 -8.993 -10.028 1.00 0.00 C ATOM 575 NH1 ARG A 37 5.541 -10.227 -10.511 1.00 0.00 N ATOM 576 NH2 ARG A 37 6.612 -8.292 -9.915 1.00 0.00 N ATOM 0 H ARG A 37 0.408 -9.515 -6.856 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.610 -7.569 -8.605 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.744 -10.265 -9.012 1.00 0.00 H new ATOM 0 HB3 ARG A 37 0.382 -9.182 -10.341 1.00 0.00 H new ATOM 0 HG2 ARG A 37 1.833 -7.450 -9.364 1.00 0.00 H new ATOM 0 HG3 ARG A 37 2.146 -8.466 -7.971 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.157 -10.189 -9.427 1.00 0.00 H new ATOM 0 HD3 ARG A 37 2.795 -9.226 -10.846 1.00 0.00 H new ATOM 0 HE ARG A 37 4.329 -7.542 -9.225 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.686 -10.778 -10.588 1.00 0.00 H new ATOM 0 HH12 ARG A 37 6.432 -10.626 -10.806 1.00 0.00 H new ATOM 0 HH21 ARG A 37 6.585 -7.347 -9.531 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.500 -8.697 -10.212 1.00 0.00 H new ATOM 590 N THR A 38 -2.192 -10.446 -8.618 1.00 0.00 N ATOM 591 CA THR A 38 -3.387 -11.129 -9.088 1.00 0.00 C ATOM 592 C THR A 38 -4.642 -10.315 -8.772 1.00 0.00 C ATOM 593 O THR A 38 -5.509 -10.135 -9.627 1.00 0.00 O ATOM 594 CB THR A 38 -3.498 -12.534 -8.468 1.00 0.00 C ATOM 595 OG1 THR A 38 -2.358 -13.317 -8.843 1.00 0.00 O ATOM 596 CG2 THR A 38 -4.765 -13.239 -8.921 1.00 0.00 C ATOM 0 H THR A 38 -1.648 -10.974 -7.936 1.00 0.00 H new ATOM 0 HA THR A 38 -3.304 -11.233 -10.170 1.00 0.00 H new ATOM 0 HB THR A 38 -3.536 -12.424 -7.384 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.621 -13.140 -8.222 1.00 0.00 H new ATOM 0 HG21 THR A 38 -4.814 -14.228 -8.466 1.00 0.00 H new ATOM 0 HG22 THR A 38 -5.634 -12.656 -8.616 1.00 0.00 H new ATOM 0 HG23 THR A 38 -4.758 -13.339 -10.006 1.00 0.00 H new ATOM 604 N ILE A 39 -4.722 -9.802 -7.550 1.00 0.00 N ATOM 605 CA ILE A 39 -5.851 -8.976 -7.148 1.00 0.00 C ATOM 606 C ILE A 39 -5.820 -7.647 -7.900 1.00 0.00 C ATOM 607 O ILE A 39 -6.854 -7.142 -8.336 1.00 0.00 O ATOM 608 CB ILE A 39 -5.846 -8.718 -5.625 1.00 0.00 C ATOM 609 CG1 ILE A 39 -5.852 -10.049 -4.864 1.00 0.00 C ATOM 610 CG2 ILE A 39 -7.044 -7.869 -5.224 1.00 0.00 C ATOM 611 CD1 ILE A 39 -5.775 -9.897 -3.360 1.00 0.00 C ATOM 0 H ILE A 39 -4.020 -9.943 -6.823 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.766 -9.514 -7.397 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.938 -8.172 -5.367 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.759 -10.597 -5.118 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.010 -10.653 -5.202 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -7.024 -7.697 -4.148 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.003 -6.912 -5.745 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -7.964 -8.389 -5.492 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.784 -10.882 -2.894 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.854 -9.378 -3.093 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.631 -9.321 -3.008 1.00 0.00 H new ATOM 623 N LEU A 40 -4.619 -7.105 -8.071 1.00 0.00 N ATOM 624 CA LEU A 40 -4.425 -5.876 -8.834 1.00 0.00 C ATOM 625 C LEU A 40 -4.958 -6.019 -10.260 1.00 0.00 C ATOM 626 O LEU A 40 -5.623 -5.119 -10.780 1.00 0.00 O ATOM 627 CB LEU A 40 -2.940 -5.511 -8.867 1.00 0.00 C ATOM 628 CG LEU A 40 -2.360 -5.007 -7.543 1.00 0.00 C ATOM 629 CD1 LEU A 40 -0.881 -4.691 -7.697 1.00 0.00 C ATOM 630 CD2 LEU A 40 -3.119 -3.782 -7.054 1.00 0.00 C ATOM 0 H LEU A 40 -3.760 -7.500 -7.689 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.984 -5.080 -8.341 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.374 -6.388 -9.182 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.788 -4.744 -9.626 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.470 -5.796 -6.799 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.484 -4.334 -6.747 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.346 -5.592 -7.998 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.751 -3.920 -8.457 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.690 -3.440 -6.112 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.044 -2.987 -7.796 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.167 -4.040 -6.903 1.00 0.00 H new ATOM 642 N MET A 41 -4.680 -7.164 -10.879 1.00 0.00 N ATOM 643 CA MET A 41 -5.117 -7.436 -12.249 1.00 0.00 C ATOM 644 C MET A 41 -6.632 -7.592 -12.335 1.00 0.00 C ATOM 645 O MET A 41 -7.215 -7.468 -13.410 1.00 0.00 O ATOM 646 CB MET A 41 -4.438 -8.696 -12.797 1.00 0.00 C ATOM 647 CG MET A 41 -2.940 -8.546 -13.011 1.00 0.00 C ATOM 648 SD MET A 41 -2.181 -10.034 -13.693 1.00 0.00 S ATOM 649 CE MET A 41 -3.034 -10.160 -15.264 1.00 0.00 C ATOM 0 H MET A 41 -4.151 -7.924 -10.451 1.00 0.00 H new ATOM 0 HA MET A 41 -4.825 -6.579 -12.855 1.00 0.00 H new ATOM 0 HB2 MET A 41 -4.616 -9.521 -12.108 1.00 0.00 H new ATOM 0 HB3 MET A 41 -4.905 -8.966 -13.744 1.00 0.00 H new ATOM 0 HG2 MET A 41 -2.755 -7.708 -13.683 1.00 0.00 H new ATOM 0 HG3 MET A 41 -2.464 -8.303 -12.061 1.00 0.00 H new ATOM 0 HE1 MET A 41 -2.456 -10.787 -15.943 1.00 0.00 H new ATOM 0 HE2 MET A 41 -4.018 -10.603 -15.109 1.00 0.00 H new ATOM 0 HE3 MET A 41 -3.148 -9.166 -15.697 1.00 0.00 H new ATOM 659 N GLN A 42 -7.270 -7.849 -11.200 1.00 0.00 N ATOM 660 CA GLN A 42 -8.718 -8.037 -11.162 1.00 0.00 C ATOM 661 C GLN A 42 -9.448 -6.700 -11.190 1.00 0.00 C ATOM 662 O GLN A 42 -10.676 -6.651 -11.137 1.00 0.00 O ATOM 663 CB GLN A 42 -9.127 -8.827 -9.919 1.00 0.00 C ATOM 664 CG GLN A 42 -8.644 -10.267 -9.923 1.00 0.00 C ATOM 665 CD GLN A 42 -9.016 -11.011 -8.656 1.00 0.00 C ATOM 666 OE1 GLN A 42 -10.025 -10.713 -8.017 1.00 0.00 O ATOM 667 NE2 GLN A 42 -8.207 -11.990 -8.288 1.00 0.00 N ATOM 0 H GLN A 42 -6.810 -7.932 -10.294 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.001 -8.602 -12.050 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -8.735 -8.324 -9.035 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.214 -8.818 -9.835 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -9.068 -10.786 -10.782 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.561 -10.283 -10.044 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.381 -12.205 -8.846 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -8.409 -12.530 -7.447 1.00 0.00 H new ATOM 676 N SER A 43 -8.690 -5.619 -11.275 1.00 0.00 N ATOM 677 CA SER A 43 -9.274 -4.296 -11.366 1.00 0.00 C ATOM 678 C SER A 43 -9.754 -4.021 -12.794 1.00 0.00 C ATOM 679 O SER A 43 -10.910 -4.290 -13.122 1.00 0.00 O ATOM 680 CB SER A 43 -8.262 -3.237 -10.926 1.00 0.00 C ATOM 681 OG SER A 43 -7.737 -3.540 -9.648 1.00 0.00 O ATOM 0 H SER A 43 -7.670 -5.634 -11.283 1.00 0.00 H new ATOM 0 HA SER A 43 -10.135 -4.249 -10.699 1.00 0.00 H new ATOM 0 HB2 SER A 43 -7.451 -3.179 -11.652 1.00 0.00 H new ATOM 0 HB3 SER A 43 -8.741 -2.258 -10.904 1.00 0.00 H new ATOM 0 HG SER A 43 -6.948 -4.113 -9.746 1.00 0.00 H new ATOM 687 N SER A 44 -8.832 -3.556 -13.641 1.00 0.00 N ATOM 688 CA SER A 44 -9.134 -3.107 -15.012 1.00 0.00 C ATOM 689 C SER A 44 -7.872 -2.543 -15.666 1.00 0.00 C ATOM 690 O SER A 44 -7.675 -2.662 -16.876 1.00 0.00 O ATOM 691 CB SER A 44 -10.220 -2.012 -15.036 1.00 0.00 C ATOM 692 OG SER A 44 -11.518 -2.532 -14.789 1.00 0.00 O ATOM 0 H SER A 44 -7.845 -3.478 -13.397 1.00 0.00 H new ATOM 0 HA SER A 44 -9.500 -3.976 -15.559 1.00 0.00 H new ATOM 0 HB2 SER A 44 -9.986 -1.255 -14.287 1.00 0.00 H new ATOM 0 HB3 SER A 44 -10.209 -1.515 -16.006 1.00 0.00 H new ATOM 0 HG SER A 44 -11.447 -3.464 -14.495 1.00 0.00 H new ATOM 698 N LEU A 45 -7.025 -1.933 -14.842 1.00 0.00 N ATOM 699 CA LEU A 45 -5.841 -1.226 -15.317 1.00 0.00 C ATOM 700 C LEU A 45 -4.819 -2.178 -15.929 1.00 0.00 C ATOM 701 O LEU A 45 -4.668 -3.314 -15.477 1.00 0.00 O ATOM 702 CB LEU A 45 -5.200 -0.461 -14.160 1.00 0.00 C ATOM 703 CG LEU A 45 -6.120 0.529 -13.448 1.00 0.00 C ATOM 704 CD1 LEU A 45 -5.427 1.113 -12.231 1.00 0.00 C ATOM 705 CD2 LEU A 45 -6.549 1.637 -14.399 1.00 0.00 C ATOM 0 H LEU A 45 -7.140 -1.915 -13.829 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.158 -0.532 -16.095 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.832 -1.181 -13.429 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.333 0.081 -14.539 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.011 -0.004 -13.117 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.095 1.817 -11.734 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.167 0.311 -11.541 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.520 1.632 -12.543 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.204 2.333 -13.875 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.668 2.169 -14.759 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.083 1.204 -15.245 1.00 0.00 H new ATOM 717 N PRO A 46 -4.112 -1.723 -16.973 1.00 0.00 N ATOM 718 CA PRO A 46 -3.053 -2.503 -17.615 1.00 0.00 C ATOM 719 C PRO A 46 -1.740 -2.447 -16.831 1.00 0.00 C ATOM 720 O PRO A 46 -1.640 -1.744 -15.821 1.00 0.00 O ATOM 721 CB PRO A 46 -2.906 -1.821 -18.974 1.00 0.00 C ATOM 722 CG PRO A 46 -3.269 -0.397 -18.720 1.00 0.00 C ATOM 723 CD PRO A 46 -4.303 -0.412 -17.624 1.00 0.00 C ATOM 0 HA PRO A 46 -3.294 -3.564 -17.679 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -1.888 -1.909 -19.354 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -3.564 -2.272 -19.717 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -2.394 0.180 -18.421 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -3.665 0.070 -19.622 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.153 0.408 -16.922 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.311 -0.308 -18.025 1.00 0.00 H new ATOM 731 N GLN A 47 -0.732 -3.166 -17.320 1.00 0.00 N ATOM 732 CA GLN A 47 0.553 -3.283 -16.630 1.00 0.00 C ATOM 733 C GLN A 47 1.197 -1.920 -16.379 1.00 0.00 C ATOM 734 O GLN A 47 1.812 -1.711 -15.338 1.00 0.00 O ATOM 735 CB GLN A 47 1.522 -4.153 -17.432 1.00 0.00 C ATOM 736 CG GLN A 47 1.089 -5.601 -17.574 1.00 0.00 C ATOM 737 CD GLN A 47 0.814 -6.267 -16.241 1.00 0.00 C ATOM 738 OE1 GLN A 47 -0.321 -6.298 -15.773 1.00 0.00 O ATOM 739 NE2 GLN A 47 1.856 -6.783 -15.612 1.00 0.00 N ATOM 0 H GLN A 47 -0.781 -3.681 -18.199 1.00 0.00 H new ATOM 0 HA GLN A 47 0.348 -3.750 -15.667 1.00 0.00 H new ATOM 0 HB2 GLN A 47 1.641 -3.722 -18.426 1.00 0.00 H new ATOM 0 HB3 GLN A 47 2.500 -4.124 -16.953 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.191 -5.648 -18.190 1.00 0.00 H new ATOM 0 HG3 GLN A 47 1.865 -6.157 -18.099 1.00 0.00 H new ATOM 0 HE21 GLN A 47 2.782 -6.736 -16.036 1.00 0.00 H new ATOM 0 HE22 GLN A 47 1.734 -7.228 -14.702 1.00 0.00 H new ATOM 748 N ALA A 48 1.065 -1.007 -17.335 1.00 0.00 N ATOM 749 CA ALA A 48 1.645 0.328 -17.200 1.00 0.00 C ATOM 750 C ALA A 48 1.153 1.022 -15.931 1.00 0.00 C ATOM 751 O ALA A 48 1.951 1.560 -15.158 1.00 0.00 O ATOM 752 CB ALA A 48 1.330 1.174 -18.424 1.00 0.00 C ATOM 0 H ALA A 48 0.564 -1.164 -18.209 1.00 0.00 H new ATOM 0 HA ALA A 48 2.726 0.214 -17.122 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.770 2.164 -18.305 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.744 0.697 -19.312 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.250 1.268 -18.533 1.00 0.00 H new ATOM 758 N GLN A 49 -0.155 0.988 -15.713 1.00 0.00 N ATOM 759 CA GLN A 49 -0.752 1.601 -14.537 1.00 0.00 C ATOM 760 C GLN A 49 -0.459 0.771 -13.296 1.00 0.00 C ATOM 761 O GLN A 49 -0.186 1.312 -12.225 1.00 0.00 O ATOM 762 CB GLN A 49 -2.264 1.744 -14.725 1.00 0.00 C ATOM 763 CG GLN A 49 -2.654 2.660 -15.874 1.00 0.00 C ATOM 764 CD GLN A 49 -2.175 4.083 -15.673 1.00 0.00 C ATOM 765 OE1 GLN A 49 -1.066 4.437 -16.062 1.00 0.00 O ATOM 766 NE2 GLN A 49 -3.012 4.912 -15.070 1.00 0.00 N ATOM 0 H GLN A 49 -0.824 0.540 -16.339 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.316 2.591 -14.406 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.695 0.757 -14.897 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.701 2.127 -13.803 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.239 2.269 -16.803 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.738 2.658 -15.984 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.925 4.579 -14.761 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.744 5.884 -14.914 1.00 0.00 H new ATOM 775 N LEU A 50 -0.503 -0.546 -13.457 1.00 0.00 N ATOM 776 CA LEU A 50 -0.263 -1.466 -12.359 1.00 0.00 C ATOM 777 C LEU A 50 1.148 -1.315 -11.801 1.00 0.00 C ATOM 778 O LEU A 50 1.338 -1.261 -10.587 1.00 0.00 O ATOM 779 CB LEU A 50 -0.502 -2.901 -12.825 1.00 0.00 C ATOM 780 CG LEU A 50 -1.970 -3.262 -13.078 1.00 0.00 C ATOM 781 CD1 LEU A 50 -2.104 -4.717 -13.498 1.00 0.00 C ATOM 782 CD2 LEU A 50 -2.814 -2.987 -11.842 1.00 0.00 C ATOM 0 H LEU A 50 -0.705 -1.001 -14.347 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.960 -1.227 -11.556 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.061 -3.068 -13.743 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.099 -3.583 -12.076 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.335 -2.635 -13.891 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.154 -4.950 -13.672 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.538 -4.885 -14.415 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.715 -5.361 -12.709 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.852 -3.250 -12.044 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.444 -3.584 -11.009 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.751 -1.929 -11.587 1.00 0.00 H new ATOM 794 N ALA A 51 2.133 -1.232 -12.690 1.00 0.00 N ATOM 795 CA ALA A 51 3.522 -1.077 -12.276 1.00 0.00 C ATOM 796 C ALA A 51 3.736 0.270 -11.601 1.00 0.00 C ATOM 797 O ALA A 51 4.494 0.376 -10.640 1.00 0.00 O ATOM 798 CB ALA A 51 4.459 -1.228 -13.466 1.00 0.00 C ATOM 0 H ALA A 51 1.995 -1.269 -13.700 1.00 0.00 H new ATOM 0 HA ALA A 51 3.750 -1.863 -11.556 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.490 -1.109 -13.134 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.331 -2.217 -13.906 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.227 -0.467 -14.211 1.00 0.00 H new ATOM 804 N SER A 52 3.051 1.290 -12.101 1.00 0.00 N ATOM 805 CA SER A 52 3.150 2.632 -11.546 1.00 0.00 C ATOM 806 C SER A 52 2.656 2.641 -10.098 1.00 0.00 C ATOM 807 O SER A 52 3.344 3.124 -9.196 1.00 0.00 O ATOM 808 CB SER A 52 2.337 3.609 -12.407 1.00 0.00 C ATOM 809 OG SER A 52 2.509 4.950 -11.984 1.00 0.00 O ATOM 0 H SER A 52 2.417 1.211 -12.896 1.00 0.00 H new ATOM 0 HA SER A 52 4.193 2.949 -11.551 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.641 3.515 -13.449 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.281 3.345 -12.358 1.00 0.00 H new ATOM 0 HG SER A 52 1.979 5.544 -12.555 1.00 0.00 H new ATOM 815 N ILE A 53 1.480 2.062 -9.879 1.00 0.00 N ATOM 816 CA ILE A 53 0.896 1.977 -8.544 1.00 0.00 C ATOM 817 C ILE A 53 1.753 1.105 -7.626 1.00 0.00 C ATOM 818 O ILE A 53 1.986 1.452 -6.467 1.00 0.00 O ATOM 819 CB ILE A 53 -0.542 1.418 -8.613 1.00 0.00 C ATOM 820 CG1 ILE A 53 -1.443 2.407 -9.358 1.00 0.00 C ATOM 821 CG2 ILE A 53 -1.084 1.137 -7.217 1.00 0.00 C ATOM 822 CD1 ILE A 53 -2.853 1.909 -9.581 1.00 0.00 C ATOM 0 H ILE A 53 0.909 1.642 -10.613 1.00 0.00 H new ATOM 0 HA ILE A 53 0.862 2.985 -8.130 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.527 0.474 -9.157 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.483 3.340 -8.796 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.993 2.636 -10.324 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.098 0.744 -7.293 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.447 0.405 -6.720 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.095 2.061 -6.638 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.427 2.667 -10.114 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.826 0.993 -10.171 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.324 1.708 -8.619 1.00 0.00 H new ATOM 834 N TRP A 54 2.228 -0.018 -8.155 1.00 0.00 N ATOM 835 CA TRP A 54 3.103 -0.911 -7.406 1.00 0.00 C ATOM 836 C TRP A 54 4.351 -0.166 -6.947 1.00 0.00 C ATOM 837 O TRP A 54 4.735 -0.230 -5.779 1.00 0.00 O ATOM 838 CB TRP A 54 3.509 -2.110 -8.267 1.00 0.00 C ATOM 839 CG TRP A 54 4.367 -3.099 -7.539 1.00 0.00 C ATOM 840 CD1 TRP A 54 5.720 -3.037 -7.359 1.00 0.00 C ATOM 841 CD2 TRP A 54 3.930 -4.296 -6.893 1.00 0.00 C ATOM 842 NE1 TRP A 54 6.147 -4.122 -6.635 1.00 0.00 N ATOM 843 CE2 TRP A 54 5.067 -4.913 -6.340 1.00 0.00 C ATOM 844 CE3 TRP A 54 2.685 -4.906 -6.726 1.00 0.00 C ATOM 845 CZ2 TRP A 54 4.993 -6.110 -5.636 1.00 0.00 C ATOM 846 CZ3 TRP A 54 2.615 -6.094 -6.026 1.00 0.00 C ATOM 847 CH2 TRP A 54 3.762 -6.686 -5.490 1.00 0.00 C ATOM 0 H TRP A 54 2.020 -0.331 -9.103 1.00 0.00 H new ATOM 0 HA TRP A 54 2.558 -1.270 -6.533 1.00 0.00 H new ATOM 0 HB2 TRP A 54 2.610 -2.613 -8.624 1.00 0.00 H new ATOM 0 HB3 TRP A 54 4.045 -1.752 -9.146 1.00 0.00 H new ATOM 0 HD1 TRP A 54 6.359 -2.250 -7.732 1.00 0.00 H new ATOM 0 HE1 TRP A 54 7.111 -4.309 -6.361 1.00 0.00 H new ATOM 0 HE3 TRP A 54 1.793 -4.457 -7.137 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 5.877 -6.569 -5.219 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.657 -6.574 -5.890 1.00 0.00 H new ATOM 0 HH2 TRP A 54 3.674 -7.617 -4.950 1.00 0.00 H new ATOM 858 N ASN A 55 4.968 0.547 -7.885 1.00 0.00 N ATOM 859 CA ASN A 55 6.182 1.309 -7.614 1.00 0.00 C ATOM 860 C ASN A 55 5.926 2.373 -6.544 1.00 0.00 C ATOM 861 O ASN A 55 6.806 2.694 -5.746 1.00 0.00 O ATOM 862 CB ASN A 55 6.673 1.972 -8.908 1.00 0.00 C ATOM 863 CG ASN A 55 8.009 2.679 -8.759 1.00 0.00 C ATOM 864 OD1 ASN A 55 8.247 3.708 -9.395 1.00 0.00 O ATOM 865 ND2 ASN A 55 8.897 2.128 -7.946 1.00 0.00 N ATOM 0 H ASN A 55 4.642 0.613 -8.849 1.00 0.00 H new ATOM 0 HA ASN A 55 6.947 0.628 -7.242 1.00 0.00 H new ATOM 0 HB2 ASN A 55 6.758 1.213 -9.686 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.926 2.691 -9.244 1.00 0.00 H new ATOM 0 HD21 ASN A 55 9.816 2.556 -7.829 1.00 0.00 H new ATOM 0 HD22 ASN A 55 8.662 1.276 -7.437 1.00 0.00 H new ATOM 872 N LEU A 56 4.717 2.919 -6.547 1.00 0.00 N ATOM 873 CA LEU A 56 4.309 3.904 -5.555 1.00 0.00 C ATOM 874 C LEU A 56 4.055 3.257 -4.194 1.00 0.00 C ATOM 875 O LEU A 56 4.371 3.835 -3.155 1.00 0.00 O ATOM 876 CB LEU A 56 3.045 4.628 -6.032 1.00 0.00 C ATOM 877 CG LEU A 56 3.231 5.545 -7.243 1.00 0.00 C ATOM 878 CD1 LEU A 56 1.898 6.131 -7.676 1.00 0.00 C ATOM 879 CD2 LEU A 56 4.219 6.658 -6.927 1.00 0.00 C ATOM 0 H LEU A 56 3.996 2.693 -7.232 1.00 0.00 H new ATOM 0 HA LEU A 56 5.121 4.621 -5.439 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.289 3.881 -6.276 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.653 5.221 -5.206 1.00 0.00 H new ATOM 0 HG LEU A 56 3.633 4.950 -8.063 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.049 6.781 -8.538 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.216 5.324 -7.944 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.471 6.709 -6.856 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.337 7.299 -7.801 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.846 7.250 -6.091 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.183 6.224 -6.662 1.00 0.00 H new ATOM 891 N SER A 57 3.488 2.059 -4.206 1.00 0.00 N ATOM 892 CA SER A 57 3.068 1.396 -2.978 1.00 0.00 C ATOM 893 C SER A 57 4.243 0.751 -2.239 1.00 0.00 C ATOM 894 O SER A 57 4.373 0.903 -1.025 1.00 0.00 O ATOM 895 CB SER A 57 2.004 0.340 -3.295 1.00 0.00 C ATOM 896 OG SER A 57 1.489 -0.256 -2.115 1.00 0.00 O ATOM 0 H SER A 57 3.307 1.524 -5.055 1.00 0.00 H new ATOM 0 HA SER A 57 2.648 2.157 -2.320 1.00 0.00 H new ATOM 0 HB2 SER A 57 1.190 0.800 -3.855 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.435 -0.431 -3.934 1.00 0.00 H new ATOM 0 HG SER A 57 1.070 -1.113 -2.338 1.00 0.00 H new ATOM 902 N ASP A 58 5.089 0.025 -2.964 1.00 0.00 N ATOM 903 CA ASP A 58 6.200 -0.689 -2.335 1.00 0.00 C ATOM 904 C ASP A 58 7.337 0.273 -2.016 1.00 0.00 C ATOM 905 O ASP A 58 7.932 0.882 -2.912 1.00 0.00 O ATOM 906 CB ASP A 58 6.704 -1.824 -3.235 1.00 0.00 C ATOM 907 CG ASP A 58 7.716 -2.733 -2.551 1.00 0.00 C ATOM 908 OD1 ASP A 58 8.225 -2.376 -1.465 1.00 0.00 O ATOM 909 OD2 ASP A 58 8.019 -3.808 -3.111 1.00 0.00 O ATOM 0 H ASP A 58 5.030 -0.085 -3.976 1.00 0.00 H new ATOM 0 HA ASP A 58 5.837 -1.126 -1.405 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.854 -2.422 -3.564 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.157 -1.395 -4.129 1.00 0.00 H new ATOM 914 N ILE A 59 7.635 0.399 -0.733 1.00 0.00 N ATOM 915 CA ILE A 59 8.649 1.338 -0.263 1.00 0.00 C ATOM 916 C ILE A 59 10.010 0.655 -0.113 1.00 0.00 C ATOM 917 O ILE A 59 11.053 1.298 -0.224 1.00 0.00 O ATOM 918 CB ILE A 59 8.246 1.948 1.101 1.00 0.00 C ATOM 919 CG1 ILE A 59 6.783 2.396 1.085 1.00 0.00 C ATOM 920 CG2 ILE A 59 9.145 3.123 1.466 1.00 0.00 C ATOM 921 CD1 ILE A 59 6.456 3.449 0.038 1.00 0.00 C ATOM 0 H ILE A 59 7.187 -0.140 0.008 1.00 0.00 H new ATOM 0 HA ILE A 59 8.724 2.128 -1.010 1.00 0.00 H new ATOM 0 HB ILE A 59 8.369 1.172 1.857 1.00 0.00 H new ATOM 0 HG12 ILE A 59 6.151 1.524 0.914 1.00 0.00 H new ATOM 0 HG13 ILE A 59 6.526 2.788 2.069 1.00 0.00 H new ATOM 0 HG21 ILE A 59 8.838 3.531 2.429 1.00 0.00 H new ATOM 0 HG22 ILE A 59 10.179 2.784 1.529 1.00 0.00 H new ATOM 0 HG23 ILE A 59 9.062 3.896 0.702 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.399 3.707 0.099 1.00 0.00 H new ATOM 0 HD12 ILE A 59 7.057 4.340 0.218 1.00 0.00 H new ATOM 0 HD13 ILE A 59 6.677 3.056 -0.954 1.00 0.00 H new ATOM 933 N ASP A 60 9.995 -0.654 0.120 1.00 0.00 N ATOM 934 CA ASP A 60 11.222 -1.392 0.432 1.00 0.00 C ATOM 935 C ASP A 60 11.753 -2.125 -0.796 1.00 0.00 C ATOM 936 O ASP A 60 12.908 -2.550 -0.824 1.00 0.00 O ATOM 937 CB ASP A 60 10.952 -2.393 1.565 1.00 0.00 C ATOM 938 CG ASP A 60 12.198 -3.130 2.035 1.00 0.00 C ATOM 939 OD1 ASP A 60 12.887 -2.625 2.949 1.00 0.00 O ATOM 940 OD2 ASP A 60 12.473 -4.237 1.527 1.00 0.00 O ATOM 0 H ASP A 60 9.151 -1.227 0.100 1.00 0.00 H new ATOM 0 HA ASP A 60 11.979 -0.676 0.751 1.00 0.00 H new ATOM 0 HB2 ASP A 60 10.513 -1.863 2.410 1.00 0.00 H new ATOM 0 HB3 ASP A 60 10.215 -3.121 1.227 1.00 0.00 H new ATOM 945 N GLN A 61 10.894 -2.257 -1.805 1.00 0.00 N ATOM 946 CA GLN A 61 11.200 -3.003 -3.030 1.00 0.00 C ATOM 947 C GLN A 61 11.208 -4.497 -2.728 1.00 0.00 C ATOM 948 O GLN A 61 11.783 -5.299 -3.472 1.00 0.00 O ATOM 949 CB GLN A 61 12.540 -2.575 -3.648 1.00 0.00 C ATOM 950 CG GLN A 61 12.609 -1.101 -4.016 1.00 0.00 C ATOM 951 CD GLN A 61 13.917 -0.724 -4.689 1.00 0.00 C ATOM 952 OE1 GLN A 61 14.960 -1.333 -4.440 1.00 0.00 O ATOM 953 NE2 GLN A 61 13.872 0.289 -5.542 1.00 0.00 N ATOM 0 H GLN A 61 9.960 -1.848 -1.798 1.00 0.00 H new ATOM 0 HA GLN A 61 10.424 -2.779 -3.762 1.00 0.00 H new ATOM 0 HB2 GLN A 61 13.341 -2.801 -2.945 1.00 0.00 H new ATOM 0 HB3 GLN A 61 12.723 -3.171 -4.542 1.00 0.00 H new ATOM 0 HG2 GLN A 61 11.780 -0.858 -4.681 1.00 0.00 H new ATOM 0 HG3 GLN A 61 12.482 -0.500 -3.116 1.00 0.00 H new ATOM 0 HE21 GLN A 61 12.989 0.767 -5.720 1.00 0.00 H new ATOM 0 HE22 GLN A 61 14.721 0.591 -6.020 1.00 0.00 H new ATOM 962 N ASP A 62 10.528 -4.860 -1.644 1.00 0.00 N ATOM 963 CA ASP A 62 10.495 -6.238 -1.166 1.00 0.00 C ATOM 964 C ASP A 62 9.614 -7.093 -2.068 1.00 0.00 C ATOM 965 O ASP A 62 9.890 -8.273 -2.294 1.00 0.00 O ATOM 966 CB ASP A 62 9.989 -6.286 0.283 1.00 0.00 C ATOM 967 CG ASP A 62 9.943 -7.693 0.849 1.00 0.00 C ATOM 968 OD1 ASP A 62 10.819 -8.514 0.500 1.00 0.00 O ATOM 969 OD2 ASP A 62 9.035 -7.982 1.656 1.00 0.00 O ATOM 0 H ASP A 62 9.986 -4.210 -1.074 1.00 0.00 H new ATOM 0 HA ASP A 62 11.508 -6.641 -1.193 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.635 -5.670 0.908 1.00 0.00 H new ATOM 0 HB3 ASP A 62 8.991 -5.849 0.328 1.00 0.00 H new ATOM 974 N GLY A 63 8.576 -6.483 -2.616 1.00 0.00 N ATOM 975 CA GLY A 63 7.706 -7.191 -3.529 1.00 0.00 C ATOM 976 C GLY A 63 6.471 -7.760 -2.858 1.00 0.00 C ATOM 977 O GLY A 63 5.662 -8.423 -3.501 1.00 0.00 O ATOM 0 H GLY A 63 8.320 -5.510 -2.445 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.399 -6.514 -4.326 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.264 -8.002 -3.997 1.00 0.00 H new ATOM 981 N LYS A 64 6.331 -7.521 -1.562 1.00 0.00 N ATOM 982 CA LYS A 64 5.175 -8.006 -0.825 1.00 0.00 C ATOM 983 C LYS A 64 4.338 -6.834 -0.333 1.00 0.00 C ATOM 984 O LYS A 64 4.877 -5.819 0.105 1.00 0.00 O ATOM 985 CB LYS A 64 5.594 -8.872 0.372 1.00 0.00 C ATOM 986 CG LYS A 64 6.344 -10.150 0.011 1.00 0.00 C ATOM 987 CD LYS A 64 7.755 -9.864 -0.467 1.00 0.00 C ATOM 988 CE LYS A 64 8.611 -11.114 -0.515 1.00 0.00 C ATOM 989 NZ LYS A 64 10.023 -10.788 -0.848 1.00 0.00 N ATOM 0 H LYS A 64 7.002 -6.996 -1.001 1.00 0.00 H new ATOM 0 HA LYS A 64 4.585 -8.621 -1.504 1.00 0.00 H new ATOM 0 HB2 LYS A 64 6.222 -8.274 1.032 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.702 -9.140 0.938 1.00 0.00 H new ATOM 0 HG2 LYS A 64 6.382 -10.806 0.880 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.798 -10.683 -0.768 1.00 0.00 H new ATOM 0 HD2 LYS A 64 7.716 -9.415 -1.459 1.00 0.00 H new ATOM 0 HD3 LYS A 64 8.219 -9.134 0.195 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.570 -11.623 0.448 1.00 0.00 H new ATOM 0 HE3 LYS A 64 8.210 -11.804 -1.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 10.585 -11.663 -0.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.062 -10.324 -1.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.411 -10.149 -0.126 1.00 0.00 H new ATOM 1003 N LEU A 65 3.025 -6.979 -0.402 1.00 0.00 N ATOM 1004 CA LEU A 65 2.120 -5.934 0.048 1.00 0.00 C ATOM 1005 C LEU A 65 1.430 -6.351 1.341 1.00 0.00 C ATOM 1006 O LEU A 65 0.793 -7.401 1.398 1.00 0.00 O ATOM 1007 CB LEU A 65 1.074 -5.626 -1.033 1.00 0.00 C ATOM 1008 CG LEU A 65 1.614 -4.972 -2.310 1.00 0.00 C ATOM 1009 CD1 LEU A 65 0.468 -4.510 -3.195 1.00 0.00 C ATOM 1010 CD2 LEU A 65 2.525 -3.800 -1.977 1.00 0.00 C ATOM 0 H LEU A 65 2.561 -7.811 -0.766 1.00 0.00 H new ATOM 0 HA LEU A 65 2.703 -5.032 0.236 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.575 -6.556 -1.306 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.316 -4.971 -0.604 1.00 0.00 H new ATOM 0 HG LEU A 65 2.198 -5.717 -2.850 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.869 -4.048 -4.097 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.148 -5.366 -3.469 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.139 -3.784 -2.654 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.895 -3.353 -2.900 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.966 -3.054 -1.411 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.367 -4.152 -1.381 1.00 0.00 H new ATOM 1022 N THR A 66 1.577 -5.544 2.386 1.00 0.00 N ATOM 1023 CA THR A 66 0.903 -5.806 3.652 1.00 0.00 C ATOM 1024 C THR A 66 -0.555 -5.373 3.559 1.00 0.00 C ATOM 1025 O THR A 66 -1.040 -5.055 2.474 1.00 0.00 O ATOM 1026 CB THR A 66 1.567 -5.046 4.817 1.00 0.00 C ATOM 1027 OG1 THR A 66 1.371 -3.638 4.648 1.00 0.00 O ATOM 1028 CG2 THR A 66 3.055 -5.355 4.895 1.00 0.00 C ATOM 0 H THR A 66 2.156 -4.704 2.381 1.00 0.00 H new ATOM 0 HA THR A 66 0.974 -6.876 3.846 1.00 0.00 H new ATOM 0 HB THR A 66 1.103 -5.371 5.748 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.231 -3.176 4.732 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.498 -4.805 5.726 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.197 -6.424 5.051 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.538 -5.057 3.964 1.00 0.00 H new ATOM 1036 N ALA A 67 -1.249 -5.342 4.685 1.00 0.00 N ATOM 1037 CA ALA A 67 -2.621 -4.872 4.700 1.00 0.00 C ATOM 1038 C ALA A 67 -2.667 -3.386 4.391 1.00 0.00 C ATOM 1039 O ALA A 67 -3.445 -2.943 3.547 1.00 0.00 O ATOM 1040 CB ALA A 67 -3.281 -5.166 6.037 1.00 0.00 C ATOM 0 H ALA A 67 -0.887 -5.634 5.593 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.178 -5.405 3.930 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.309 -4.804 6.023 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.277 -6.241 6.216 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.731 -4.664 6.833 1.00 0.00 H new ATOM 1046 N GLU A 68 -1.806 -2.625 5.057 1.00 0.00 N ATOM 1047 CA GLU A 68 -1.757 -1.183 4.863 1.00 0.00 C ATOM 1048 C GLU A 68 -1.245 -0.836 3.465 1.00 0.00 C ATOM 1049 O GLU A 68 -1.713 0.119 2.844 1.00 0.00 O ATOM 1050 CB GLU A 68 -0.899 -0.521 5.948 1.00 0.00 C ATOM 1051 CG GLU A 68 -1.484 -0.686 7.342 1.00 0.00 C ATOM 1052 CD GLU A 68 -0.710 0.055 8.413 1.00 0.00 C ATOM 1053 OE1 GLU A 68 -1.040 1.228 8.685 1.00 0.00 O ATOM 1054 OE2 GLU A 68 0.209 -0.541 9.011 1.00 0.00 O ATOM 0 H GLU A 68 -1.134 -2.983 5.735 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.771 -0.792 4.950 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.102 -0.951 5.926 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.795 0.541 5.726 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.515 -0.332 7.339 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.512 -1.746 7.593 1.00 0.00 H new ATOM 1061 N GLU A 69 -0.314 -1.631 2.952 1.00 0.00 N ATOM 1062 CA GLU A 69 0.197 -1.406 1.602 1.00 0.00 C ATOM 1063 C GLU A 69 -0.876 -1.745 0.570 1.00 0.00 C ATOM 1064 O GLU A 69 -1.036 -1.048 -0.431 1.00 0.00 O ATOM 1065 CB GLU A 69 1.463 -2.227 1.331 1.00 0.00 C ATOM 1066 CG GLU A 69 2.760 -1.551 1.765 1.00 0.00 C ATOM 1067 CD GLU A 69 2.908 -1.453 3.268 1.00 0.00 C ATOM 1068 OE1 GLU A 69 2.456 -0.452 3.852 1.00 0.00 O ATOM 1069 OE2 GLU A 69 3.471 -2.390 3.868 1.00 0.00 O ATOM 0 H GLU A 69 0.099 -2.426 3.440 1.00 0.00 H new ATOM 0 HA GLU A 69 0.459 -0.351 1.519 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.377 -3.184 1.845 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.520 -2.442 0.264 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.605 -2.107 1.359 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.801 -0.550 1.336 1.00 0.00 H new ATOM 1076 N PHE A 70 -1.624 -2.811 0.834 1.00 0.00 N ATOM 1077 CA PHE A 70 -2.697 -3.235 -0.058 1.00 0.00 C ATOM 1078 C PHE A 70 -3.774 -2.162 -0.152 1.00 0.00 C ATOM 1079 O PHE A 70 -4.224 -1.822 -1.248 1.00 0.00 O ATOM 1080 CB PHE A 70 -3.305 -4.553 0.433 1.00 0.00 C ATOM 1081 CG PHE A 70 -4.379 -5.103 -0.463 1.00 0.00 C ATOM 1082 CD1 PHE A 70 -4.054 -5.929 -1.527 1.00 0.00 C ATOM 1083 CD2 PHE A 70 -5.712 -4.799 -0.236 1.00 0.00 C ATOM 1084 CE1 PHE A 70 -5.040 -6.437 -2.352 1.00 0.00 C ATOM 1085 CE2 PHE A 70 -6.700 -5.302 -1.056 1.00 0.00 C ATOM 1086 CZ PHE A 70 -6.367 -6.125 -2.115 1.00 0.00 C ATOM 0 H PHE A 70 -1.507 -3.398 1.660 1.00 0.00 H new ATOM 0 HA PHE A 70 -2.277 -3.389 -1.052 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -2.511 -5.294 0.528 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -3.720 -4.401 1.429 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -3.020 -6.178 -1.714 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.980 -4.161 0.593 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.775 -7.077 -3.181 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -7.734 -5.053 -0.871 1.00 0.00 H new ATOM 0 HZ PHE A 70 -7.140 -6.523 -2.756 1.00 0.00 H new ATOM 1096 N ILE A 71 -4.174 -1.622 0.999 1.00 0.00 N ATOM 1097 CA ILE A 71 -5.178 -0.566 1.043 1.00 0.00 C ATOM 1098 C ILE A 71 -4.706 0.649 0.246 1.00 0.00 C ATOM 1099 O ILE A 71 -5.483 1.264 -0.488 1.00 0.00 O ATOM 1100 CB ILE A 71 -5.499 -0.144 2.495 1.00 0.00 C ATOM 1101 CG1 ILE A 71 -6.037 -1.337 3.290 1.00 0.00 C ATOM 1102 CG2 ILE A 71 -6.511 0.995 2.511 1.00 0.00 C ATOM 1103 CD1 ILE A 71 -6.279 -1.038 4.755 1.00 0.00 C ATOM 0 H ILE A 71 -3.816 -1.901 1.913 1.00 0.00 H new ATOM 0 HA ILE A 71 -6.089 -0.963 0.596 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.578 0.203 2.962 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -6.971 -1.671 2.838 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -5.331 -2.163 3.210 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.724 1.278 3.542 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -6.102 1.852 1.976 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -7.432 0.671 2.026 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.659 -1.931 5.251 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -5.343 -0.734 5.224 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -7.009 -0.234 4.846 1.00 0.00 H new ATOM 1115 N LEU A 72 -3.426 0.977 0.384 1.00 0.00 N ATOM 1116 CA LEU A 72 -2.832 2.073 -0.367 1.00 0.00 C ATOM 1117 C LEU A 72 -2.892 1.800 -1.867 1.00 0.00 C ATOM 1118 O LEU A 72 -3.366 2.637 -2.639 1.00 0.00 O ATOM 1119 CB LEU A 72 -1.381 2.289 0.066 1.00 0.00 C ATOM 1120 CG LEU A 72 -0.604 3.317 -0.760 1.00 0.00 C ATOM 1121 CD1 LEU A 72 -1.284 4.676 -0.707 1.00 0.00 C ATOM 1122 CD2 LEU A 72 0.831 3.417 -0.269 1.00 0.00 C ATOM 0 H LEU A 72 -2.780 0.497 1.011 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.405 2.976 -0.157 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.372 2.603 1.110 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.857 1.334 0.016 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.592 2.984 -1.798 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.715 5.391 -1.301 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.294 4.593 -1.109 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.331 5.019 0.327 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.370 4.152 -0.867 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.837 3.725 0.777 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.317 2.446 -0.364 1.00 0.00 H new ATOM 1134 N ALA A 73 -2.416 0.629 -2.268 1.00 0.00 N ATOM 1135 CA ALA A 73 -2.409 0.238 -3.671 1.00 0.00 C ATOM 1136 C ALA A 73 -3.814 0.288 -4.265 1.00 0.00 C ATOM 1137 O ALA A 73 -4.023 0.874 -5.326 1.00 0.00 O ATOM 1138 CB ALA A 73 -1.814 -1.153 -3.831 1.00 0.00 C ATOM 0 H ALA A 73 -2.027 -0.071 -1.636 1.00 0.00 H new ATOM 0 HA ALA A 73 -1.789 0.950 -4.215 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.816 -1.431 -4.885 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.790 -1.156 -3.457 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -2.409 -1.870 -3.266 1.00 0.00 H new ATOM 1144 N MET A 74 -4.777 -0.297 -3.565 1.00 0.00 N ATOM 1145 CA MET A 74 -6.156 -0.333 -4.044 1.00 0.00 C ATOM 1146 C MET A 74 -6.774 1.061 -4.061 1.00 0.00 C ATOM 1147 O MET A 74 -7.645 1.348 -4.880 1.00 0.00 O ATOM 1148 CB MET A 74 -7.005 -1.272 -3.190 1.00 0.00 C ATOM 1149 CG MET A 74 -6.597 -2.730 -3.303 1.00 0.00 C ATOM 1150 SD MET A 74 -6.678 -3.353 -4.996 1.00 0.00 S ATOM 1151 CE MET A 74 -8.424 -3.172 -5.353 1.00 0.00 C ATOM 0 H MET A 74 -4.631 -0.753 -2.664 1.00 0.00 H new ATOM 0 HA MET A 74 -6.136 -0.711 -5.066 1.00 0.00 H new ATOM 0 HB2 MET A 74 -6.936 -0.964 -2.147 1.00 0.00 H new ATOM 0 HB3 MET A 74 -8.050 -1.172 -3.483 1.00 0.00 H new ATOM 0 HG2 MET A 74 -5.581 -2.848 -2.926 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.245 -3.334 -2.668 1.00 0.00 H new ATOM 0 HE1 MET A 74 -8.675 -3.750 -6.242 1.00 0.00 H new ATOM 0 HE2 MET A 74 -9.008 -3.535 -4.507 1.00 0.00 H new ATOM 0 HE3 MET A 74 -8.653 -2.121 -5.527 1.00 0.00 H new ATOM 1161 N HIS A 75 -6.321 1.930 -3.166 1.00 0.00 N ATOM 1162 CA HIS A 75 -6.790 3.309 -3.153 1.00 0.00 C ATOM 1163 C HIS A 75 -6.291 4.035 -4.399 1.00 0.00 C ATOM 1164 O HIS A 75 -6.997 4.863 -4.969 1.00 0.00 O ATOM 1165 CB HIS A 75 -6.334 4.036 -1.882 1.00 0.00 C ATOM 1166 CG HIS A 75 -6.833 5.448 -1.779 1.00 0.00 C ATOM 1167 ND1 HIS A 75 -8.170 5.786 -1.834 1.00 0.00 N ATOM 1168 CD2 HIS A 75 -6.161 6.615 -1.625 1.00 0.00 C ATOM 1169 CE1 HIS A 75 -8.296 7.093 -1.717 1.00 0.00 C ATOM 1170 NE2 HIS A 75 -7.095 7.620 -1.590 1.00 0.00 N ATOM 0 H HIS A 75 -5.635 1.707 -2.445 1.00 0.00 H new ATOM 0 HA HIS A 75 -7.880 3.305 -3.157 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -6.676 3.476 -1.012 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -5.245 4.042 -1.849 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -5.090 6.732 -1.545 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -9.227 7.640 -1.724 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -6.892 8.614 -1.483 1.00 0.00 H new ATOM 1179 N LEU A 76 -5.074 3.707 -4.822 1.00 0.00 N ATOM 1180 CA LEU A 76 -4.519 4.255 -6.054 1.00 0.00 C ATOM 1181 C LEU A 76 -5.225 3.639 -7.259 1.00 0.00 C ATOM 1182 O LEU A 76 -5.459 4.311 -8.267 1.00 0.00 O ATOM 1183 CB LEU A 76 -3.012 3.998 -6.131 1.00 0.00 C ATOM 1184 CG LEU A 76 -2.186 4.634 -5.009 1.00 0.00 C ATOM 1185 CD1 LEU A 76 -0.719 4.261 -5.151 1.00 0.00 C ATOM 1186 CD2 LEU A 76 -2.354 6.147 -5.015 1.00 0.00 C ATOM 0 H LEU A 76 -4.454 3.064 -4.329 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.680 5.333 -6.060 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.842 2.921 -6.121 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.644 4.370 -7.087 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.548 4.251 -4.055 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.147 4.721 -4.346 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.612 3.178 -5.098 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.345 4.616 -6.111 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.760 6.582 -4.211 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.018 6.547 -5.972 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.404 6.397 -4.866 1.00 0.00 H new ATOM 1198 N ILE A 77 -5.567 2.357 -7.134 1.00 0.00 N ATOM 1199 CA ILE A 77 -6.367 1.661 -8.138 1.00 0.00 C ATOM 1200 C ILE A 77 -7.685 2.397 -8.353 1.00 0.00 C ATOM 1201 O ILE A 77 -8.062 2.693 -9.485 1.00 0.00 O ATOM 1202 CB ILE A 77 -6.670 0.201 -7.709 1.00 0.00 C ATOM 1203 CG1 ILE A 77 -5.398 -0.657 -7.729 1.00 0.00 C ATOM 1204 CG2 ILE A 77 -7.744 -0.415 -8.600 1.00 0.00 C ATOM 1205 CD1 ILE A 77 -4.843 -0.902 -9.115 1.00 0.00 C ATOM 0 H ILE A 77 -5.299 1.776 -6.339 1.00 0.00 H new ATOM 0 HA ILE A 77 -5.791 1.640 -9.063 1.00 0.00 H new ATOM 0 HB ILE A 77 -7.045 0.227 -6.686 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -4.634 -0.170 -7.124 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -5.612 -1.617 -7.260 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -7.939 -1.438 -8.280 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -8.660 0.170 -8.523 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.401 -0.418 -9.635 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -3.945 -1.516 -9.044 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -5.589 -1.418 -9.719 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.595 0.051 -9.581 1.00 0.00 H new ATOM 1217 N ASP A 78 -8.364 2.700 -7.249 1.00 0.00 N ATOM 1218 CA ASP A 78 -9.653 3.388 -7.277 1.00 0.00 C ATOM 1219 C ASP A 78 -9.548 4.746 -7.971 1.00 0.00 C ATOM 1220 O ASP A 78 -10.437 5.136 -8.733 1.00 0.00 O ATOM 1221 CB ASP A 78 -10.175 3.568 -5.849 1.00 0.00 C ATOM 1222 CG ASP A 78 -11.530 4.242 -5.799 1.00 0.00 C ATOM 1223 OD1 ASP A 78 -12.549 3.558 -6.031 1.00 0.00 O ATOM 1224 OD2 ASP A 78 -11.587 5.454 -5.501 1.00 0.00 O ATOM 0 H ASP A 78 -8.036 2.476 -6.310 1.00 0.00 H new ATOM 0 HA ASP A 78 -10.351 2.775 -7.847 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -10.241 2.593 -5.366 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -9.459 4.159 -5.277 1.00 0.00 H new ATOM 1229 N VAL A 79 -8.456 5.458 -7.712 1.00 0.00 N ATOM 1230 CA VAL A 79 -8.228 6.760 -8.329 1.00 0.00 C ATOM 1231 C VAL A 79 -8.071 6.621 -9.843 1.00 0.00 C ATOM 1232 O VAL A 79 -8.746 7.310 -10.612 1.00 0.00 O ATOM 1233 CB VAL A 79 -6.984 7.461 -7.740 1.00 0.00 C ATOM 1234 CG1 VAL A 79 -6.711 8.778 -8.449 1.00 0.00 C ATOM 1235 CG2 VAL A 79 -7.167 7.693 -6.251 1.00 0.00 C ATOM 0 H VAL A 79 -7.715 5.156 -7.079 1.00 0.00 H new ATOM 0 HA VAL A 79 -9.101 7.375 -8.113 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.124 6.810 -7.894 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.830 9.250 -8.014 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.537 8.591 -9.509 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.570 9.438 -8.333 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -6.283 8.188 -5.848 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -8.042 8.322 -6.086 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.308 6.736 -5.748 1.00 0.00 H new ATOM 1245 N ALA A 80 -7.203 5.709 -10.268 1.00 0.00 N ATOM 1246 CA ALA A 80 -6.966 5.488 -11.692 1.00 0.00 C ATOM 1247 C ALA A 80 -8.199 4.887 -12.361 1.00 0.00 C ATOM 1248 O ALA A 80 -8.480 5.159 -13.527 1.00 0.00 O ATOM 1249 CB ALA A 80 -5.755 4.592 -11.897 1.00 0.00 C ATOM 0 H ALA A 80 -6.653 5.112 -9.650 1.00 0.00 H new ATOM 0 HA ALA A 80 -6.765 6.453 -12.158 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -5.593 4.438 -12.964 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -4.875 5.064 -11.461 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -5.928 3.630 -11.414 1.00 0.00 H new ATOM 1255 N MET A 81 -8.935 4.071 -11.612 1.00 0.00 N ATOM 1256 CA MET A 81 -10.178 3.480 -12.064 1.00 0.00 C ATOM 1257 C MET A 81 -11.197 4.553 -12.442 1.00 0.00 C ATOM 1258 O MET A 81 -12.067 4.337 -13.287 1.00 0.00 O ATOM 1259 CB MET A 81 -10.708 2.620 -10.927 1.00 0.00 C ATOM 1260 CG MET A 81 -11.639 1.516 -11.347 1.00 0.00 C ATOM 1261 SD MET A 81 -13.354 2.052 -11.502 1.00 0.00 S ATOM 1262 CE MET A 81 -14.155 0.489 -11.857 1.00 0.00 C ATOM 0 H MET A 81 -8.676 3.802 -10.663 1.00 0.00 H new ATOM 0 HA MET A 81 -10.005 2.880 -12.957 1.00 0.00 H new ATOM 0 HB2 MET A 81 -9.862 2.180 -10.399 1.00 0.00 H new ATOM 0 HB3 MET A 81 -11.228 3.263 -10.217 1.00 0.00 H new ATOM 0 HG2 MET A 81 -11.304 1.111 -12.302 1.00 0.00 H new ATOM 0 HG3 MET A 81 -11.583 0.706 -10.620 1.00 0.00 H new ATOM 0 HE1 MET A 81 -15.226 0.649 -11.981 1.00 0.00 H new ATOM 0 HE2 MET A 81 -13.742 0.069 -12.774 1.00 0.00 H new ATOM 0 HE3 MET A 81 -13.985 -0.203 -11.032 1.00 0.00 H new ATOM 1272 N SER A 82 -11.072 5.719 -11.821 1.00 0.00 N ATOM 1273 CA SER A 82 -11.975 6.827 -12.084 1.00 0.00 C ATOM 1274 C SER A 82 -11.464 7.665 -13.263 1.00 0.00 C ATOM 1275 O SER A 82 -12.014 8.721 -13.579 1.00 0.00 O ATOM 1276 CB SER A 82 -12.115 7.687 -10.821 1.00 0.00 C ATOM 1277 OG SER A 82 -13.192 8.603 -10.924 1.00 0.00 O ATOM 0 H SER A 82 -10.350 5.920 -11.129 1.00 0.00 H new ATOM 0 HA SER A 82 -12.956 6.435 -12.352 1.00 0.00 H new ATOM 0 HB2 SER A 82 -12.269 7.041 -9.957 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.188 8.234 -10.649 1.00 0.00 H new ATOM 0 HG SER A 82 -13.173 9.033 -11.805 1.00 0.00 H new ATOM 1283 N GLY A 83 -10.406 7.186 -13.913 1.00 0.00 N ATOM 1284 CA GLY A 83 -9.880 7.860 -15.086 1.00 0.00 C ATOM 1285 C GLY A 83 -8.922 8.980 -14.734 1.00 0.00 C ATOM 1286 O GLY A 83 -8.755 9.931 -15.503 1.00 0.00 O ATOM 0 H GLY A 83 -9.903 6.340 -13.646 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -9.368 7.135 -15.718 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -10.707 8.264 -15.670 1.00 0.00 H new ATOM 1290 N GLN A 84 -8.301 8.878 -13.569 1.00 0.00 N ATOM 1291 CA GLN A 84 -7.360 9.885 -13.115 1.00 0.00 C ATOM 1292 C GLN A 84 -5.923 9.422 -13.340 1.00 0.00 C ATOM 1293 O GLN A 84 -5.633 8.226 -13.276 1.00 0.00 O ATOM 1294 CB GLN A 84 -7.597 10.176 -11.635 1.00 0.00 C ATOM 1295 CG GLN A 84 -9.000 10.676 -11.327 1.00 0.00 C ATOM 1296 CD GLN A 84 -9.329 11.986 -12.021 1.00 0.00 C ATOM 1297 OE1 GLN A 84 -9.076 13.066 -11.487 1.00 0.00 O ATOM 1298 NE2 GLN A 84 -9.919 11.902 -13.203 1.00 0.00 N ATOM 0 H GLN A 84 -8.434 8.103 -12.919 1.00 0.00 H new ATOM 0 HA GLN A 84 -7.516 10.797 -13.691 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -7.410 9.268 -11.061 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -6.874 10.920 -11.300 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -9.724 9.919 -11.629 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -9.105 10.805 -10.250 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -10.112 10.988 -13.613 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -10.181 12.751 -13.704 1.00 0.00 H new ATOM 1307 N PRO A 85 -5.007 10.364 -13.614 1.00 0.00 N ATOM 1308 CA PRO A 85 -3.595 10.053 -13.843 1.00 0.00 C ATOM 1309 C PRO A 85 -2.843 9.764 -12.545 1.00 0.00 C ATOM 1310 O PRO A 85 -3.208 10.256 -11.476 1.00 0.00 O ATOM 1311 CB PRO A 85 -3.061 11.326 -14.495 1.00 0.00 C ATOM 1312 CG PRO A 85 -3.915 12.414 -13.942 1.00 0.00 C ATOM 1313 CD PRO A 85 -5.278 11.811 -13.727 1.00 0.00 C ATOM 0 HA PRO A 85 -3.467 9.156 -14.449 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -2.010 11.485 -14.254 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -3.135 11.277 -15.581 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -3.505 12.793 -13.006 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -3.967 13.257 -14.631 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -5.751 12.201 -12.826 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -5.948 12.029 -14.559 1.00 0.00 H new ATOM 1321 N LEU A 86 -1.783 8.974 -12.652 1.00 0.00 N ATOM 1322 CA LEU A 86 -0.998 8.585 -11.492 1.00 0.00 C ATOM 1323 C LEU A 86 0.212 9.499 -11.330 1.00 0.00 C ATOM 1324 O LEU A 86 0.800 9.943 -12.321 1.00 0.00 O ATOM 1325 CB LEU A 86 -0.545 7.131 -11.630 1.00 0.00 C ATOM 1326 CG LEU A 86 -1.680 6.110 -11.716 1.00 0.00 C ATOM 1327 CD1 LEU A 86 -1.129 4.720 -11.979 1.00 0.00 C ATOM 1328 CD2 LEU A 86 -2.502 6.120 -10.436 1.00 0.00 C ATOM 0 H LEU A 86 -1.447 8.589 -13.535 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.622 8.680 -10.604 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.074 7.041 -12.523 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.087 6.880 -10.778 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.328 6.387 -12.547 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.952 4.007 -12.037 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.581 4.718 -12.921 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.459 4.435 -11.168 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.306 5.388 -10.514 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.862 5.868 -9.591 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.928 7.112 -10.285 1.00 0.00 H new ATOM 1340 N PRO A 87 0.591 9.800 -10.080 1.00 0.00 N ATOM 1341 CA PRO A 87 1.744 10.643 -9.788 1.00 0.00 C ATOM 1342 C PRO A 87 3.063 9.873 -9.853 1.00 0.00 C ATOM 1343 O PRO A 87 3.090 8.657 -9.669 1.00 0.00 O ATOM 1344 CB PRO A 87 1.478 11.111 -8.358 1.00 0.00 C ATOM 1345 CG PRO A 87 0.672 10.020 -7.737 1.00 0.00 C ATOM 1346 CD PRO A 87 -0.088 9.346 -8.852 1.00 0.00 C ATOM 0 HA PRO A 87 1.851 11.452 -10.511 1.00 0.00 H new ATOM 0 HB2 PRO A 87 2.410 11.271 -7.815 1.00 0.00 H new ATOM 0 HB3 PRO A 87 0.936 12.057 -8.347 1.00 0.00 H new ATOM 0 HG2 PRO A 87 1.318 9.307 -7.224 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -0.013 10.423 -6.991 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -0.055 8.261 -8.757 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -1.139 9.634 -8.848 1.00 0.00 H new ATOM 1354 N PRO A 88 4.174 10.575 -10.119 1.00 0.00 N ATOM 1355 CA PRO A 88 5.507 9.974 -10.122 1.00 0.00 C ATOM 1356 C PRO A 88 5.988 9.705 -8.703 1.00 0.00 C ATOM 1357 O PRO A 88 6.717 8.746 -8.440 1.00 0.00 O ATOM 1358 CB PRO A 88 6.394 11.034 -10.795 1.00 0.00 C ATOM 1359 CG PRO A 88 5.461 12.088 -11.301 1.00 0.00 C ATOM 1360 CD PRO A 88 4.224 12.001 -10.457 1.00 0.00 C ATOM 0 HA PRO A 88 5.526 9.014 -10.638 1.00 0.00 H new ATOM 0 HB2 PRO A 88 7.109 11.452 -10.086 1.00 0.00 H new ATOM 0 HB3 PRO A 88 6.972 10.599 -11.611 1.00 0.00 H new ATOM 0 HG2 PRO A 88 5.914 13.076 -11.225 1.00 0.00 H new ATOM 0 HG3 PRO A 88 5.225 11.925 -12.353 1.00 0.00 H new ATOM 0 HD2 PRO A 88 4.294 12.627 -9.568 1.00 0.00 H new ATOM 0 HD3 PRO A 88 3.336 12.321 -11.003 1.00 0.00 H new ATOM 1368 N VAL A 89 5.566 10.574 -7.796 1.00 0.00 N ATOM 1369 CA VAL A 89 5.898 10.449 -6.385 1.00 0.00 C ATOM 1370 C VAL A 89 4.630 10.601 -5.556 1.00 0.00 C ATOM 1371 O VAL A 89 3.713 11.331 -5.938 1.00 0.00 O ATOM 1372 CB VAL A 89 6.922 11.512 -5.922 1.00 0.00 C ATOM 1373 CG1 VAL A 89 7.504 11.150 -4.562 1.00 0.00 C ATOM 1374 CG2 VAL A 89 8.032 11.696 -6.950 1.00 0.00 C ATOM 0 H VAL A 89 4.986 11.383 -8.017 1.00 0.00 H new ATOM 0 HA VAL A 89 6.347 9.466 -6.243 1.00 0.00 H new ATOM 0 HB VAL A 89 6.393 12.460 -5.827 1.00 0.00 H new ATOM 0 HG11 VAL A 89 8.221 11.913 -4.258 1.00 0.00 H new ATOM 0 HG12 VAL A 89 6.702 11.093 -3.826 1.00 0.00 H new ATOM 0 HG13 VAL A 89 8.006 10.185 -4.626 1.00 0.00 H new ATOM 0 HG21 VAL A 89 8.735 12.449 -6.595 1.00 0.00 H new ATOM 0 HG22 VAL A 89 8.555 10.751 -7.094 1.00 0.00 H new ATOM 0 HG23 VAL A 89 7.601 12.020 -7.897 1.00 0.00 H new ATOM 1384 N LEU A 90 4.583 9.915 -4.433 1.00 0.00 N ATOM 1385 CA LEU A 90 3.414 9.938 -3.568 1.00 0.00 C ATOM 1386 C LEU A 90 3.677 10.841 -2.361 1.00 0.00 C ATOM 1387 O LEU A 90 4.794 10.875 -1.838 1.00 0.00 O ATOM 1388 CB LEU A 90 3.100 8.510 -3.108 1.00 0.00 C ATOM 1389 CG LEU A 90 1.754 8.310 -2.409 1.00 0.00 C ATOM 1390 CD1 LEU A 90 0.610 8.466 -3.398 1.00 0.00 C ATOM 1391 CD2 LEU A 90 1.703 6.944 -1.743 1.00 0.00 C ATOM 0 H LEU A 90 5.346 9.329 -4.093 1.00 0.00 H new ATOM 0 HA LEU A 90 2.559 10.334 -4.116 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.136 7.853 -3.977 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.890 8.186 -2.431 1.00 0.00 H new ATOM 0 HG LEU A 90 1.646 9.074 -1.639 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.339 8.320 -2.882 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.638 9.466 -3.832 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.710 7.724 -4.190 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.740 6.816 -1.250 1.00 0.00 H new ATOM 0 HD22 LEU A 90 1.831 6.167 -2.496 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.502 6.869 -1.005 1.00 0.00 H new ATOM 1403 N PRO A 91 2.663 11.599 -1.915 1.00 0.00 N ATOM 1404 CA PRO A 91 2.765 12.425 -0.707 1.00 0.00 C ATOM 1405 C PRO A 91 2.795 11.582 0.569 1.00 0.00 C ATOM 1406 O PRO A 91 2.244 10.478 0.606 1.00 0.00 O ATOM 1407 CB PRO A 91 1.493 13.287 -0.744 1.00 0.00 C ATOM 1408 CG PRO A 91 0.940 13.127 -2.118 1.00 0.00 C ATOM 1409 CD PRO A 91 1.361 11.760 -2.572 1.00 0.00 C ATOM 0 HA PRO A 91 3.687 13.006 -0.693 1.00 0.00 H new ATOM 0 HB2 PRO A 91 0.775 12.959 0.008 1.00 0.00 H new ATOM 0 HB3 PRO A 91 1.721 14.332 -0.533 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -0.146 13.221 -2.116 1.00 0.00 H new ATOM 0 HG3 PRO A 91 1.325 13.897 -2.787 1.00 0.00 H new ATOM 0 HD2 PRO A 91 0.652 10.992 -2.262 1.00 0.00 H new ATOM 0 HD3 PRO A 91 1.443 11.699 -3.657 1.00 0.00 H new ATOM 1417 N PRO A 92 3.420 12.111 1.637 1.00 0.00 N ATOM 1418 CA PRO A 92 3.566 11.403 2.919 1.00 0.00 C ATOM 1419 C PRO A 92 2.230 11.012 3.557 1.00 0.00 C ATOM 1420 O PRO A 92 2.144 10.002 4.253 1.00 0.00 O ATOM 1421 CB PRO A 92 4.296 12.413 3.811 1.00 0.00 C ATOM 1422 CG PRO A 92 4.965 13.351 2.866 1.00 0.00 C ATOM 1423 CD PRO A 92 4.064 13.438 1.669 1.00 0.00 C ATOM 0 HA PRO A 92 4.094 10.459 2.783 1.00 0.00 H new ATOM 0 HB2 PRO A 92 3.599 12.940 4.463 1.00 0.00 H new ATOM 0 HB3 PRO A 92 5.022 11.918 4.455 1.00 0.00 H new ATOM 0 HG2 PRO A 92 5.105 14.331 3.322 1.00 0.00 H new ATOM 0 HG3 PRO A 92 5.953 12.985 2.586 1.00 0.00 H new ATOM 0 HD2 PRO A 92 3.332 14.239 1.773 1.00 0.00 H new ATOM 0 HD3 PRO A 92 4.625 13.636 0.756 1.00 0.00 H new ATOM 1431 N GLU A 93 1.193 11.813 3.318 1.00 0.00 N ATOM 1432 CA GLU A 93 -0.125 11.562 3.902 1.00 0.00 C ATOM 1433 C GLU A 93 -0.687 10.217 3.455 1.00 0.00 C ATOM 1434 O GLU A 93 -1.461 9.590 4.175 1.00 0.00 O ATOM 1435 CB GLU A 93 -1.121 12.670 3.533 1.00 0.00 C ATOM 1436 CG GLU A 93 -0.672 14.067 3.925 1.00 0.00 C ATOM 1437 CD GLU A 93 0.074 14.775 2.811 1.00 0.00 C ATOM 1438 OE1 GLU A 93 1.163 14.309 2.429 1.00 0.00 O ATOM 1439 OE2 GLU A 93 -0.423 15.806 2.317 1.00 0.00 O ATOM 0 H GLU A 93 1.239 12.641 2.724 1.00 0.00 H new ATOM 0 HA GLU A 93 0.010 11.549 4.983 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -1.293 12.645 2.457 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.076 12.459 4.014 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.543 14.659 4.207 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.031 14.005 4.804 1.00 0.00 H new ATOM 1446 N TYR A 94 -0.297 9.774 2.271 1.00 0.00 N ATOM 1447 CA TYR A 94 -0.811 8.526 1.725 1.00 0.00 C ATOM 1448 C TYR A 94 0.115 7.365 2.070 1.00 0.00 C ATOM 1449 O TYR A 94 -0.194 6.209 1.790 1.00 0.00 O ATOM 1450 CB TYR A 94 -0.958 8.631 0.204 1.00 0.00 C ATOM 1451 CG TYR A 94 -1.918 9.704 -0.259 1.00 0.00 C ATOM 1452 CD1 TYR A 94 -1.521 11.033 -0.329 1.00 0.00 C ATOM 1453 CD2 TYR A 94 -3.218 9.388 -0.636 1.00 0.00 C ATOM 1454 CE1 TYR A 94 -2.387 12.018 -0.760 1.00 0.00 C ATOM 1455 CE2 TYR A 94 -4.092 10.367 -1.069 1.00 0.00 C ATOM 1456 CZ TYR A 94 -3.673 11.680 -1.127 1.00 0.00 C ATOM 1457 OH TYR A 94 -4.538 12.659 -1.559 1.00 0.00 O ATOM 0 H TYR A 94 0.371 10.257 1.670 1.00 0.00 H new ATOM 0 HA TYR A 94 -1.789 8.340 2.168 1.00 0.00 H new ATOM 0 HB2 TYR A 94 0.022 8.826 -0.231 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -1.293 7.669 -0.184 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -0.515 11.301 -0.041 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.550 8.361 -0.590 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -2.060 13.046 -0.809 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.098 10.105 -1.361 1.00 0.00 H new ATOM 0 HH TYR A 94 -5.404 12.256 -1.780 1.00 0.00 H new ATOM 1467 N ILE A 95 1.243 7.677 2.691 1.00 0.00 N ATOM 1468 CA ILE A 95 2.244 6.671 3.010 1.00 0.00 C ATOM 1469 C ILE A 95 1.992 6.080 4.395 1.00 0.00 C ATOM 1470 O ILE A 95 1.863 6.816 5.378 1.00 0.00 O ATOM 1471 CB ILE A 95 3.672 7.262 2.953 1.00 0.00 C ATOM 1472 CG1 ILE A 95 3.946 7.844 1.565 1.00 0.00 C ATOM 1473 CG2 ILE A 95 4.710 6.201 3.300 1.00 0.00 C ATOM 1474 CD1 ILE A 95 5.326 8.449 1.417 1.00 0.00 C ATOM 0 H ILE A 95 1.488 8.623 2.985 1.00 0.00 H new ATOM 0 HA ILE A 95 2.163 5.882 2.262 1.00 0.00 H new ATOM 0 HB ILE A 95 3.745 8.062 3.690 1.00 0.00 H new ATOM 0 HG12 ILE A 95 3.823 7.057 0.821 1.00 0.00 H new ATOM 0 HG13 ILE A 95 3.199 8.608 1.348 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.707 6.639 3.254 1.00 0.00 H new ATOM 0 HG22 ILE A 95 4.525 5.826 4.307 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.641 5.378 2.588 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.445 8.840 0.407 1.00 0.00 H new ATOM 0 HD12 ILE A 95 5.447 9.259 2.137 1.00 0.00 H new ATOM 0 HD13 ILE A 95 6.080 7.684 1.601 1.00 0.00 H new ATOM 1486 N PRO A 96 1.904 4.744 4.485 1.00 0.00 N ATOM 1487 CA PRO A 96 1.710 4.040 5.758 1.00 0.00 C ATOM 1488 C PRO A 96 2.868 4.279 6.729 1.00 0.00 C ATOM 1489 O PRO A 96 3.974 4.638 6.316 1.00 0.00 O ATOM 1490 CB PRO A 96 1.645 2.562 5.351 1.00 0.00 C ATOM 1491 CG PRO A 96 1.316 2.575 3.901 1.00 0.00 C ATOM 1492 CD PRO A 96 1.970 3.808 3.351 1.00 0.00 C ATOM 0 HA PRO A 96 0.819 4.385 6.282 1.00 0.00 H new ATOM 0 HB2 PRO A 96 2.595 2.060 5.535 1.00 0.00 H new ATOM 0 HB3 PRO A 96 0.886 2.028 5.923 1.00 0.00 H new ATOM 0 HG2 PRO A 96 1.690 1.679 3.406 1.00 0.00 H new ATOM 0 HG3 PRO A 96 0.238 2.600 3.744 1.00 0.00 H new ATOM 0 HD2 PRO A 96 2.998 3.618 3.043 1.00 0.00 H new ATOM 0 HD3 PRO A 96 1.441 4.192 2.478 1.00 0.00 H new ATOM 1500 N PRO A 97 2.626 4.093 8.035 1.00 0.00 N ATOM 1501 CA PRO A 97 3.638 4.317 9.075 1.00 0.00 C ATOM 1502 C PRO A 97 4.788 3.312 9.005 1.00 0.00 C ATOM 1503 O PRO A 97 4.757 2.380 8.198 1.00 0.00 O ATOM 1504 CB PRO A 97 2.860 4.141 10.386 1.00 0.00 C ATOM 1505 CG PRO A 97 1.420 4.201 10.007 1.00 0.00 C ATOM 1506 CD PRO A 97 1.343 3.662 8.610 1.00 0.00 C ATOM 0 HA PRO A 97 4.108 5.295 8.969 1.00 0.00 H new ATOM 0 HB2 PRO A 97 3.101 3.190 10.861 1.00 0.00 H new ATOM 0 HB3 PRO A 97 3.111 4.926 11.099 1.00 0.00 H new ATOM 0 HG2 PRO A 97 0.811 3.608 10.689 1.00 0.00 H new ATOM 0 HG3 PRO A 97 1.046 5.224 10.053 1.00 0.00 H new ATOM 0 HD2 PRO A 97 1.236 2.577 8.598 1.00 0.00 H new ATOM 0 HD3 PRO A 97 0.494 4.072 8.063 1.00 0.00 H new ATOM 1514 N SER A 98 5.794 3.517 9.861 1.00 0.00 N ATOM 1515 CA SER A 98 6.967 2.638 9.946 1.00 0.00 C ATOM 1516 C SER A 98 7.874 2.777 8.716 1.00 0.00 C ATOM 1517 O SER A 98 8.993 3.286 8.818 1.00 0.00 O ATOM 1518 CB SER A 98 6.534 1.178 10.131 1.00 0.00 C ATOM 1519 OG SER A 98 5.588 1.056 11.183 1.00 0.00 O ATOM 0 H SER A 98 5.819 4.298 10.516 1.00 0.00 H new ATOM 0 HA SER A 98 7.545 2.947 10.817 1.00 0.00 H new ATOM 0 HB2 SER A 98 6.102 0.803 9.203 1.00 0.00 H new ATOM 0 HB3 SER A 98 7.406 0.561 10.348 1.00 0.00 H new ATOM 0 HG SER A 98 5.326 0.117 11.280 1.00 0.00 H new ATOM 1525 N PHE A 99 7.369 2.372 7.550 1.00 0.00 N ATOM 1526 CA PHE A 99 8.169 2.317 6.323 1.00 0.00 C ATOM 1527 C PHE A 99 8.647 3.698 5.880 1.00 0.00 C ATOM 1528 O PHE A 99 9.494 3.812 4.996 1.00 0.00 O ATOM 1529 CB PHE A 99 7.365 1.665 5.197 1.00 0.00 C ATOM 1530 CG PHE A 99 7.103 0.202 5.411 1.00 0.00 C ATOM 1531 CD1 PHE A 99 5.979 -0.223 6.099 1.00 0.00 C ATOM 1532 CD2 PHE A 99 7.984 -0.747 4.920 1.00 0.00 C ATOM 1533 CE1 PHE A 99 5.741 -1.570 6.295 1.00 0.00 C ATOM 1534 CE2 PHE A 99 7.750 -2.095 5.111 1.00 0.00 C ATOM 1535 CZ PHE A 99 6.626 -2.508 5.799 1.00 0.00 C ATOM 0 H PHE A 99 6.401 2.075 7.428 1.00 0.00 H new ATOM 0 HA PHE A 99 9.052 1.717 6.543 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.412 2.185 5.095 1.00 0.00 H new ATOM 0 HB3 PHE A 99 7.901 1.795 4.257 1.00 0.00 H new ATOM 0 HD1 PHE A 99 5.282 0.505 6.486 1.00 0.00 H new ATOM 0 HD2 PHE A 99 8.865 -0.429 4.381 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.863 -1.890 6.836 1.00 0.00 H new ATOM 0 HE2 PHE A 99 8.445 -2.825 4.723 1.00 0.00 H new ATOM 0 HZ PHE A 99 6.439 -3.561 5.949 1.00 0.00 H new ATOM 1545 N ARG A 100 8.115 4.738 6.504 1.00 0.00 N ATOM 1546 CA ARG A 100 8.492 6.108 6.180 1.00 0.00 C ATOM 1547 C ARG A 100 9.963 6.374 6.503 1.00 0.00 C ATOM 1548 O ARG A 100 10.607 7.196 5.857 1.00 0.00 O ATOM 1549 CB ARG A 100 7.617 7.098 6.957 1.00 0.00 C ATOM 1550 CG ARG A 100 6.131 6.963 6.669 1.00 0.00 C ATOM 1551 CD ARG A 100 5.305 7.897 7.542 1.00 0.00 C ATOM 1552 NE ARG A 100 3.869 7.717 7.329 1.00 0.00 N ATOM 1553 CZ ARG A 100 2.939 7.925 8.263 1.00 0.00 C ATOM 1554 NH1 ARG A 100 3.281 8.337 9.478 1.00 0.00 N ATOM 1555 NH2 ARG A 100 1.661 7.727 7.978 1.00 0.00 N ATOM 0 H ARG A 100 7.416 4.659 7.243 1.00 0.00 H new ATOM 0 HA ARG A 100 8.341 6.245 5.109 1.00 0.00 H new ATOM 0 HB2 ARG A 100 7.785 6.956 8.025 1.00 0.00 H new ATOM 0 HB3 ARG A 100 7.933 8.113 6.717 1.00 0.00 H new ATOM 0 HG2 ARG A 100 5.942 7.183 5.618 1.00 0.00 H new ATOM 0 HG3 ARG A 100 5.819 5.933 6.840 1.00 0.00 H new ATOM 0 HD2 ARG A 100 5.542 7.717 8.591 1.00 0.00 H new ATOM 0 HD3 ARG A 100 5.577 8.930 7.326 1.00 0.00 H new ATOM 0 HE ARG A 100 3.558 7.413 6.406 1.00 0.00 H new ATOM 0 HH11 ARG A 100 4.262 8.498 9.705 1.00 0.00 H new ATOM 0 HH12 ARG A 100 2.562 8.493 10.185 1.00 0.00 H new ATOM 0 HH21 ARG A 100 1.389 7.416 7.046 1.00 0.00 H new ATOM 0 HH22 ARG A 100 0.949 7.886 8.691 1.00 0.00 H new ATOM 1569 N ARG A 101 10.495 5.672 7.500 1.00 0.00 N ATOM 1570 CA ARG A 101 11.842 5.954 7.986 1.00 0.00 C ATOM 1571 C ARG A 101 12.651 4.675 8.214 1.00 0.00 C ATOM 1572 O ARG A 101 13.587 4.663 9.013 1.00 0.00 O ATOM 1573 CB ARG A 101 11.765 6.769 9.283 1.00 0.00 C ATOM 1574 CG ARG A 101 11.250 8.186 9.072 1.00 0.00 C ATOM 1575 CD ARG A 101 10.950 8.894 10.384 1.00 0.00 C ATOM 1576 NE ARG A 101 12.132 9.034 11.236 1.00 0.00 N ATOM 1577 CZ ARG A 101 12.746 10.197 11.471 1.00 0.00 C ATOM 1578 NH1 ARG A 101 12.356 11.301 10.841 1.00 0.00 N ATOM 1579 NH2 ARG A 101 13.764 10.256 12.318 1.00 0.00 N ATOM 0 H ARG A 101 10.019 4.910 7.983 1.00 0.00 H new ATOM 0 HA ARG A 101 12.358 6.531 7.218 1.00 0.00 H new ATOM 0 HB2 ARG A 101 11.114 6.254 9.990 1.00 0.00 H new ATOM 0 HB3 ARG A 101 12.755 6.813 9.736 1.00 0.00 H new ATOM 0 HG2 ARG A 101 11.990 8.759 8.514 1.00 0.00 H new ATOM 0 HG3 ARG A 101 10.346 8.155 8.464 1.00 0.00 H new ATOM 0 HD2 ARG A 101 10.541 9.882 10.173 1.00 0.00 H new ATOM 0 HD3 ARG A 101 10.182 8.339 10.924 1.00 0.00 H new ATOM 0 HE ARG A 101 12.509 8.195 11.676 1.00 0.00 H new ATOM 0 HH11 ARG A 101 11.585 11.262 10.175 1.00 0.00 H new ATOM 0 HH12 ARG A 101 12.828 12.186 11.024 1.00 0.00 H new ATOM 0 HH21 ARG A 101 14.082 9.411 12.793 1.00 0.00 H new ATOM 0 HH22 ARG A 101 14.230 11.146 12.494 1.00 0.00 H new ATOM 1593 N VAL A 102 12.320 3.614 7.480 1.00 0.00 N ATOM 1594 CA VAL A 102 13.029 2.336 7.629 1.00 0.00 C ATOM 1595 C VAL A 102 14.324 2.307 6.829 1.00 0.00 C ATOM 1596 O VAL A 102 15.016 1.291 6.772 1.00 0.00 O ATOM 1597 CB VAL A 102 12.160 1.128 7.215 1.00 0.00 C ATOM 1598 CG1 VAL A 102 11.007 0.936 8.184 1.00 0.00 C ATOM 1599 CG2 VAL A 102 11.647 1.286 5.789 1.00 0.00 C ATOM 0 H VAL A 102 11.575 3.609 6.783 1.00 0.00 H new ATOM 0 HA VAL A 102 13.260 2.254 8.691 1.00 0.00 H new ATOM 0 HB VAL A 102 12.786 0.237 7.250 1.00 0.00 H new ATOM 0 HG11 VAL A 102 10.409 0.080 7.873 1.00 0.00 H new ATOM 0 HG12 VAL A 102 11.399 0.760 9.186 1.00 0.00 H new ATOM 0 HG13 VAL A 102 10.384 1.831 8.190 1.00 0.00 H new ATOM 0 HG21 VAL A 102 11.038 0.422 5.523 1.00 0.00 H new ATOM 0 HG22 VAL A 102 11.043 2.191 5.718 1.00 0.00 H new ATOM 0 HG23 VAL A 102 12.492 1.359 5.104 1.00 0.00 H new ATOM 1609 N ARG A 103 14.650 3.430 6.221 1.00 0.00 N ATOM 1610 CA ARG A 103 15.884 3.556 5.462 1.00 0.00 C ATOM 1611 C ARG A 103 16.992 4.107 6.351 1.00 0.00 C ATOM 1612 O ARG A 103 16.760 5.025 7.136 1.00 0.00 O ATOM 1613 CB ARG A 103 15.675 4.431 4.214 1.00 0.00 C ATOM 1614 CG ARG A 103 14.745 5.628 4.412 1.00 0.00 C ATOM 1615 CD ARG A 103 15.500 6.952 4.429 1.00 0.00 C ATOM 1616 NE ARG A 103 16.245 7.152 5.669 1.00 0.00 N ATOM 1617 CZ ARG A 103 16.937 8.249 5.963 1.00 0.00 C ATOM 1618 NH1 ARG A 103 16.997 9.256 5.100 1.00 0.00 N ATOM 1619 NH2 ARG A 103 17.564 8.338 7.128 1.00 0.00 N ATOM 0 H ARG A 103 14.077 4.273 6.236 1.00 0.00 H new ATOM 0 HA ARG A 103 16.186 2.567 5.117 1.00 0.00 H new ATOM 0 HB2 ARG A 103 16.646 4.796 3.878 1.00 0.00 H new ATOM 0 HB3 ARG A 103 15.275 3.807 3.415 1.00 0.00 H new ATOM 0 HG2 ARG A 103 14.004 5.645 3.613 1.00 0.00 H new ATOM 0 HG3 ARG A 103 14.201 5.511 5.349 1.00 0.00 H new ATOM 0 HD2 ARG A 103 16.189 6.985 3.585 1.00 0.00 H new ATOM 0 HD3 ARG A 103 14.794 7.772 4.296 1.00 0.00 H new ATOM 0 HE ARG A 103 16.234 6.399 6.357 1.00 0.00 H new ATOM 0 HH11 ARG A 103 16.511 9.191 4.206 1.00 0.00 H new ATOM 0 HH12 ARG A 103 17.529 10.095 5.331 1.00 0.00 H new ATOM 0 HH21 ARG A 103 17.514 7.567 7.794 1.00 0.00 H new ATOM 0 HH22 ARG A 103 18.096 9.177 7.358 1.00 0.00 H new ATOM 1633 N LEU A 104 18.182 3.536 6.237 1.00 0.00 N ATOM 1634 CA LEU A 104 19.307 3.906 7.092 1.00 0.00 C ATOM 1635 C LEU A 104 20.632 3.638 6.385 1.00 0.00 C ATOM 1636 O LEU A 104 21.373 2.725 6.760 1.00 0.00 O ATOM 1637 CB LEU A 104 19.272 3.125 8.417 1.00 0.00 C ATOM 1638 CG LEU A 104 18.158 3.507 9.395 1.00 0.00 C ATOM 1639 CD1 LEU A 104 18.124 2.535 10.562 1.00 0.00 C ATOM 1640 CD2 LEU A 104 18.357 4.928 9.901 1.00 0.00 C ATOM 0 H LEU A 104 18.397 2.808 5.556 1.00 0.00 H new ATOM 0 HA LEU A 104 19.221 4.971 7.305 1.00 0.00 H new ATOM 0 HB2 LEU A 104 19.178 2.064 8.187 1.00 0.00 H new ATOM 0 HB3 LEU A 104 20.230 3.258 8.919 1.00 0.00 H new ATOM 0 HG LEU A 104 17.205 3.456 8.869 1.00 0.00 H new ATOM 0 HD11 LEU A 104 17.327 2.819 11.249 1.00 0.00 H new ATOM 0 HD12 LEU A 104 17.941 1.527 10.191 1.00 0.00 H new ATOM 0 HD13 LEU A 104 19.080 2.561 11.085 1.00 0.00 H new ATOM 0 HD21 LEU A 104 17.556 5.183 10.595 1.00 0.00 H new ATOM 0 HD22 LEU A 104 19.317 5.001 10.412 1.00 0.00 H new ATOM 0 HD23 LEU A 104 18.341 5.620 9.059 1.00 0.00 H new ATOM 1652 N GLU A 105 20.928 4.414 5.351 1.00 0.00 N ATOM 1653 CA GLU A 105 22.183 4.253 4.638 1.00 0.00 C ATOM 1654 C GLU A 105 23.307 4.959 5.389 1.00 0.00 C ATOM 1655 O GLU A 105 23.619 6.124 5.139 1.00 0.00 O ATOM 1656 CB GLU A 105 22.082 4.773 3.202 1.00 0.00 C ATOM 1657 CG GLU A 105 23.309 4.449 2.365 1.00 0.00 C ATOM 1658 CD GLU A 105 23.175 4.891 0.925 1.00 0.00 C ATOM 1659 OE1 GLU A 105 23.430 6.082 0.639 1.00 0.00 O ATOM 1660 OE2 GLU A 105 22.842 4.047 0.070 1.00 0.00 O ATOM 0 H GLU A 105 20.323 5.152 4.992 1.00 0.00 H new ATOM 0 HA GLU A 105 22.408 3.188 4.585 1.00 0.00 H new ATOM 0 HB2 GLU A 105 21.201 4.342 2.727 1.00 0.00 H new ATOM 0 HB3 GLU A 105 21.938 5.853 3.222 1.00 0.00 H new ATOM 0 HG2 GLU A 105 24.181 4.930 2.807 1.00 0.00 H new ATOM 0 HG3 GLU A 105 23.489 3.374 2.394 1.00 0.00 H new ATOM 1667 N HIS A 106 23.873 4.254 6.351 1.00 0.00 N ATOM 1668 CA HIS A 106 24.985 4.765 7.140 1.00 0.00 C ATOM 1669 C HIS A 106 26.208 3.878 6.912 1.00 0.00 C ATOM 1670 O HIS A 106 27.157 3.868 7.693 1.00 0.00 O ATOM 1671 CB HIS A 106 24.582 4.795 8.621 1.00 0.00 C ATOM 1672 CG HIS A 106 25.604 5.396 9.544 1.00 0.00 C ATOM 1673 ND1 HIS A 106 26.210 4.684 10.557 1.00 0.00 N ATOM 1674 CD2 HIS A 106 26.113 6.649 9.614 1.00 0.00 C ATOM 1675 CE1 HIS A 106 27.043 5.471 11.209 1.00 0.00 C ATOM 1676 NE2 HIS A 106 27.005 6.667 10.656 1.00 0.00 N ATOM 0 H HIS A 106 23.578 3.312 6.609 1.00 0.00 H new ATOM 0 HA HIS A 106 25.236 5.781 6.835 1.00 0.00 H new ATOM 0 HB2 HIS A 106 23.652 5.356 8.718 1.00 0.00 H new ATOM 0 HB3 HIS A 106 24.375 3.776 8.947 1.00 0.00 H new ATOM 0 HD2 HIS A 106 25.863 7.479 8.970 1.00 0.00 H new ATOM 0 HE1 HIS A 106 27.653 5.184 12.053 1.00 0.00 H new ATOM 0 HE2 HIS A 106 27.551 7.475 10.955 1.00 0.00 H new ATOM 1685 N HIS A 107 26.174 3.139 5.813 1.00 0.00 N ATOM 1686 CA HIS A 107 27.225 2.183 5.503 1.00 0.00 C ATOM 1687 C HIS A 107 27.974 2.600 4.248 1.00 0.00 C ATOM 1688 O HIS A 107 27.380 3.123 3.304 1.00 0.00 O ATOM 1689 CB HIS A 107 26.649 0.776 5.276 1.00 0.00 C ATOM 1690 CG HIS A 107 25.666 0.318 6.310 1.00 0.00 C ATOM 1691 ND1 HIS A 107 26.016 -0.426 7.412 1.00 0.00 N ATOM 1692 CD2 HIS A 107 24.322 0.484 6.385 1.00 0.00 C ATOM 1693 CE1 HIS A 107 24.935 -0.698 8.117 1.00 0.00 C ATOM 1694 NE2 HIS A 107 23.892 -0.158 7.517 1.00 0.00 N ATOM 0 H HIS A 107 25.427 3.184 5.120 1.00 0.00 H new ATOM 0 HA HIS A 107 27.903 2.165 6.356 1.00 0.00 H new ATOM 0 HB2 HIS A 107 26.164 0.752 4.300 1.00 0.00 H new ATOM 0 HB3 HIS A 107 27.474 0.064 5.240 1.00 0.00 H new ATOM 0 HD2 HIS A 107 23.704 1.023 5.682 1.00 0.00 H new ATOM 0 HE1 HIS A 107 24.908 -1.268 9.034 1.00 0.00 H new ATOM 0 HE2 HIS A 107 22.926 -0.210 7.841 1.00 0.00 H new ATOM 1703 N HIS A 108 29.279 2.390 4.256 1.00 0.00 N ATOM 1704 CA HIS A 108 30.070 2.449 3.036 1.00 0.00 C ATOM 1705 C HIS A 108 30.654 1.068 2.779 1.00 0.00 C ATOM 1706 O HIS A 108 31.863 0.853 2.833 1.00 0.00 O ATOM 1707 CB HIS A 108 31.159 3.539 3.087 1.00 0.00 C ATOM 1708 CG HIS A 108 32.004 3.576 4.333 1.00 0.00 C ATOM 1709 ND1 HIS A 108 32.041 4.666 5.174 1.00 0.00 N ATOM 1710 CD2 HIS A 108 32.877 2.680 4.851 1.00 0.00 C ATOM 1711 CE1 HIS A 108 32.897 4.439 6.151 1.00 0.00 C ATOM 1712 NE2 HIS A 108 33.421 3.239 5.980 1.00 0.00 N ATOM 0 H HIS A 108 29.816 2.176 5.096 1.00 0.00 H new ATOM 0 HA HIS A 108 29.424 2.734 2.206 1.00 0.00 H new ATOM 0 HB2 HIS A 108 31.818 3.405 2.230 1.00 0.00 H new ATOM 0 HB3 HIS A 108 30.678 4.510 2.970 1.00 0.00 H new ATOM 0 HD2 HIS A 108 33.104 1.704 4.449 1.00 0.00 H new ATOM 0 HE1 HIS A 108 33.130 5.120 6.956 1.00 0.00 H new ATOM 0 HE2 HIS A 108 34.114 2.801 6.586 1.00 0.00 H new ATOM 1721 N HIS A 109 29.751 0.134 2.509 1.00 0.00 N ATOM 1722 CA HIS A 109 30.072 -1.287 2.480 1.00 0.00 C ATOM 1723 C HIS A 109 31.088 -1.627 1.392 1.00 0.00 C ATOM 1724 O HIS A 109 31.990 -2.434 1.616 1.00 0.00 O ATOM 1725 CB HIS A 109 28.789 -2.101 2.277 1.00 0.00 C ATOM 1726 CG HIS A 109 28.988 -3.582 2.359 1.00 0.00 C ATOM 1727 ND1 HIS A 109 28.776 -4.429 1.295 1.00 0.00 N ATOM 1728 CD2 HIS A 109 29.371 -4.369 3.391 1.00 0.00 C ATOM 1729 CE1 HIS A 109 29.020 -5.669 1.668 1.00 0.00 C ATOM 1730 NE2 HIS A 109 29.384 -5.661 2.934 1.00 0.00 N ATOM 0 H HIS A 109 28.774 0.341 2.304 1.00 0.00 H new ATOM 0 HA HIS A 109 30.526 -1.544 3.437 1.00 0.00 H new ATOM 0 HB2 HIS A 109 28.058 -1.801 3.028 1.00 0.00 H new ATOM 0 HB3 HIS A 109 28.365 -1.855 1.303 1.00 0.00 H new ATOM 0 HD2 HIS A 109 29.620 -4.040 4.389 1.00 0.00 H new ATOM 0 HE1 HIS A 109 28.936 -6.545 1.041 1.00 0.00 H new ATOM 0 HE2 HIS A 109 29.635 -6.482 3.484 1.00 0.00 H new ATOM 1739 N HIS A 110 30.944 -1.024 0.224 1.00 0.00 N ATOM 1740 CA HIS A 110 31.813 -1.349 -0.896 1.00 0.00 C ATOM 1741 C HIS A 110 32.787 -0.219 -1.194 1.00 0.00 C ATOM 1742 O HIS A 110 32.392 0.856 -1.646 1.00 0.00 O ATOM 1743 CB HIS A 110 30.989 -1.681 -2.143 1.00 0.00 C ATOM 1744 CG HIS A 110 31.822 -2.016 -3.345 1.00 0.00 C ATOM 1745 ND1 HIS A 110 32.622 -3.131 -3.418 1.00 0.00 N ATOM 1746 CD2 HIS A 110 31.980 -1.365 -4.520 1.00 0.00 C ATOM 1747 CE1 HIS A 110 33.239 -3.151 -4.581 1.00 0.00 C ATOM 1748 NE2 HIS A 110 32.866 -2.093 -5.273 1.00 0.00 N ATOM 0 H HIS A 110 30.240 -0.313 0.027 1.00 0.00 H new ATOM 0 HA HIS A 110 32.394 -2.227 -0.614 1.00 0.00 H new ATOM 0 HB2 HIS A 110 30.333 -2.523 -1.921 1.00 0.00 H new ATOM 0 HB3 HIS A 110 30.348 -0.832 -2.381 1.00 0.00 H new ATOM 0 HD2 HIS A 110 31.498 -0.443 -4.811 1.00 0.00 H new ATOM 0 HE1 HIS A 110 33.934 -3.908 -4.913 1.00 0.00 H new ATOM 0 HE2 HIS A 110 33.183 -1.855 -6.213 1.00 0.00 H new ATOM 1757 N HIS A 111 34.055 -0.471 -0.921 1.00 0.00 N ATOM 1758 CA HIS A 111 35.120 0.443 -1.291 1.00 0.00 C ATOM 1759 C HIS A 111 35.464 0.257 -2.764 1.00 0.00 C ATOM 1760 O HIS A 111 35.057 1.105 -3.583 1.00 0.00 O ATOM 1761 CB HIS A 111 36.354 0.211 -0.404 1.00 0.00 C ATOM 1762 CG HIS A 111 37.608 0.878 -0.895 1.00 0.00 C ATOM 1763 ND1 HIS A 111 37.849 2.232 -0.779 1.00 0.00 N ATOM 1764 CD2 HIS A 111 38.697 0.357 -1.508 1.00 0.00 C ATOM 1765 CE1 HIS A 111 39.030 2.510 -1.301 1.00 0.00 C ATOM 1766 NE2 HIS A 111 39.563 1.391 -1.748 1.00 0.00 N ATOM 1767 OXT HIS A 111 36.126 -0.745 -3.094 1.00 0.00 O ATOM 0 H HIS A 111 34.374 -1.311 -0.439 1.00 0.00 H new ATOM 0 HA HIS A 111 34.785 1.469 -1.138 1.00 0.00 H new ATOM 0 HB2 HIS A 111 36.136 0.571 0.602 1.00 0.00 H new ATOM 0 HB3 HIS A 111 36.534 -0.861 -0.327 1.00 0.00 H new ATOM 0 HD2 HIS A 111 38.854 -0.681 -1.761 1.00 0.00 H new ATOM 0 HE1 HIS A 111 39.482 3.489 -1.353 1.00 0.00 H new ATOM 0 HE2 HIS A 111 40.474 1.308 -2.200 1.00 0.00 H new TER 1776 HIS A 111