USER MOD reduce.3.24.130724 H: found=0, std=0, add=1070, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1069 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 51 SER OG : rot -180:sc= 0.294 USER MOD Set 1.2: A 126 HIS : no HD1:sc= 0.941 K(o=1.2,f=-2.4!) USER MOD Set 2.1: A 44 THR OG1 : rot -160:sc= 0.589 USER MOD Set 2.2: A 63 LYS NZ :NH3+ 154:sc= 1.83 (180deg=1.04) USER MOD Set 3.1: A 27 SER OG : rot 180:sc= 0.303 USER MOD Set 3.2: A 28 ASN : amide:sc= 0.325 X(o=0.63,f=0.81) USER MOD Set 4.1: A 9 SER OG : rot 180:sc= 1.02 USER MOD Set 4.2: A 52 LYS NZ :NH3+ -125:sc= 1.21 (180deg=0) USER MOD Set 5.1: A 7 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 173:sc= 0 (180deg=-0.0399) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A -1 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A -3 SER OG : rot 180:sc= 0 USER MOD Single : A -4 GLY N :NH3+ -141:sc= 0.0372 (180deg=0) USER MOD Single : A 12 CYS SG : rot 180:sc= -0.736 USER MOD Single : A 14 LYS NZ :NH3+ -179:sc= 2.45 (180deg=2.38) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.27 X(o=-0.27,f=-0.44) USER MOD Single : A 50 THR OG1 : rot 42:sc= 1.09 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 169:sc= 1.31 (180deg=1.13) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0.521 K(o=0.52,f=-0.017) USER MOD Single : A 76 GLN : amide:sc= 0.13 X(o=0.13,f=-0.19) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0.697 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -1.71! C(o=-1.7!,f=-3.1!) USER MOD Single : A 100 THR OG1 : rot -41:sc= 0.338 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 ASN : amide:sc= -0.626 K(o=-0.63,f=-6.8!) USER MOD Single : A 122 SER OG : rot -73:sc=-0.00176 USER MOD Single : A 124 GLN : amide:sc= 0.63 K(o=0.63,f=0) USER MOD Single : A 128 LYS NZ :NH3+ -170:sc= 1.58 (180deg=1.46) USER MOD Single : A 131 LYS NZ :NH3+ -172:sc= 1.24 (180deg=1.07) USER MOD Single : A 132 GLN : amide:sc= 0.953 K(o=0.95,f=-0.49) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -4 -13.085 32.972 19.244 1.00 0.00 N ATOM 2 CA GLY A -4 -11.743 32.585 19.732 1.00 0.00 C ATOM 3 C GLY A -4 -10.741 32.461 18.593 1.00 0.00 C ATOM 4 O GLY A -4 -10.887 33.116 17.560 1.00 0.00 O ATOM 0 H1 GLY A -4 -13.516 33.645 19.909 1.00 0.00 H new ATOM 0 H2 GLY A -4 -12.999 33.417 18.308 1.00 0.00 H new ATOM 0 H3 GLY A -4 -13.685 32.126 19.171 1.00 0.00 H new ATOM 0 HA2 GLY A -4 -11.389 33.326 20.448 1.00 0.00 H new ATOM 0 HA3 GLY A -4 -11.809 31.635 20.263 1.00 0.00 H new ATOM 10 N SER A -3 -9.715 31.621 18.776 1.00 0.00 N ATOM 11 CA SER A -3 -8.659 31.301 17.789 1.00 0.00 C ATOM 12 C SER A -3 -8.017 32.529 17.101 1.00 0.00 C ATOM 13 O SER A -3 -8.108 32.669 15.875 1.00 0.00 O ATOM 14 CB SER A -3 -9.172 30.263 16.776 1.00 0.00 C ATOM 15 OG SER A -3 -9.626 29.094 17.447 1.00 0.00 O ATOM 0 H SER A -3 -9.586 31.119 19.655 1.00 0.00 H new ATOM 0 HA SER A -3 -7.837 30.865 18.357 1.00 0.00 H new ATOM 0 HB2 SER A -3 -9.984 30.691 16.188 1.00 0.00 H new ATOM 0 HB3 SER A -3 -8.376 30.003 16.078 1.00 0.00 H new ATOM 0 HG SER A -3 -9.951 28.444 16.789 1.00 0.00 H new ATOM 21 N PRO A -2 -7.362 33.440 17.856 1.00 0.00 N ATOM 22 CA PRO A -2 -6.742 34.652 17.305 1.00 0.00 C ATOM 23 C PRO A -2 -5.459 34.381 16.492 1.00 0.00 C ATOM 24 O PRO A -2 -5.049 35.228 15.695 1.00 0.00 O ATOM 25 CB PRO A -2 -6.454 35.531 18.526 1.00 0.00 C ATOM 26 CG PRO A -2 -6.189 34.514 19.635 1.00 0.00 C ATOM 27 CD PRO A -2 -7.175 33.396 19.303 1.00 0.00 C ATOM 0 HA PRO A -2 -7.408 35.128 16.585 1.00 0.00 H new ATOM 0 HB2 PRO A -2 -5.594 36.180 18.361 1.00 0.00 H new ATOM 0 HB3 PRO A -2 -7.299 36.177 18.765 1.00 0.00 H new ATOM 0 HG2 PRO A -2 -5.158 34.162 19.624 1.00 0.00 H new ATOM 0 HG3 PRO A -2 -6.371 34.935 20.624 1.00 0.00 H new ATOM 0 HD2 PRO A -2 -6.786 32.427 19.617 1.00 0.00 H new ATOM 0 HD3 PRO A -2 -8.121 33.543 19.823 1.00 0.00 H new ATOM 35 N ASN A -1 -4.825 33.216 16.676 1.00 0.00 N ATOM 36 CA ASN A -1 -3.626 32.775 15.953 1.00 0.00 C ATOM 37 C ASN A -1 -3.968 31.779 14.827 1.00 0.00 C ATOM 38 O ASN A -1 -4.970 31.061 14.895 1.00 0.00 O ATOM 39 CB ASN A -1 -2.619 32.180 16.954 1.00 0.00 C ATOM 40 CG ASN A -1 -2.146 33.195 17.985 1.00 0.00 C ATOM 41 OD1 ASN A -1 -1.559 34.218 17.662 1.00 0.00 O ATOM 42 ND2 ASN A -1 -2.386 32.954 19.255 1.00 0.00 N ATOM 0 H ASN A -1 -5.145 32.529 17.358 1.00 0.00 H new ATOM 0 HA ASN A -1 -3.172 33.639 15.467 1.00 0.00 H new ATOM 0 HB2 ASN A -1 -3.079 31.335 17.467 1.00 0.00 H new ATOM 0 HB3 ASN A -1 -1.758 31.793 16.410 1.00 0.00 H new ATOM 0 HD21 ASN A -1 -2.083 33.619 19.966 1.00 0.00 H new ATOM 0 HD22 ASN A -1 -2.875 32.102 19.529 1.00 0.00 H new ATOM 49 N SER A 0 -3.109 31.699 13.807 1.00 0.00 N ATOM 50 CA SER A 0 -3.306 30.849 12.616 1.00 0.00 C ATOM 51 C SER A 0 -3.116 29.343 12.873 1.00 0.00 C ATOM 52 O SER A 0 -3.553 28.519 12.066 1.00 0.00 O ATOM 53 CB SER A 0 -2.345 31.287 11.502 1.00 0.00 C ATOM 54 OG SER A 0 -2.497 32.673 11.222 1.00 0.00 O ATOM 0 H SER A 0 -2.239 32.231 13.780 1.00 0.00 H new ATOM 0 HA SER A 0 -4.347 30.987 12.324 1.00 0.00 H new ATOM 0 HB2 SER A 0 -1.317 31.082 11.801 1.00 0.00 H new ATOM 0 HB3 SER A 0 -2.537 30.706 10.600 1.00 0.00 H new ATOM 0 HG SER A 0 -1.875 32.933 10.511 1.00 0.00 H new ATOM 60 N MET A 1 -2.463 28.969 13.979 1.00 0.00 N ATOM 61 CA MET A 1 -2.139 27.587 14.341 1.00 0.00 C ATOM 62 C MET A 1 -3.304 26.918 15.086 1.00 0.00 C ATOM 63 O MET A 1 -3.783 27.428 16.103 1.00 0.00 O ATOM 64 CB MET A 1 -0.850 27.531 15.183 1.00 0.00 C ATOM 65 CG MET A 1 0.390 28.100 14.474 1.00 0.00 C ATOM 66 SD MET A 1 0.538 29.915 14.393 1.00 0.00 S ATOM 67 CE MET A 1 0.913 30.299 16.127 1.00 0.00 C ATOM 0 H MET A 1 -2.135 29.644 14.669 1.00 0.00 H new ATOM 0 HA MET A 1 -1.971 27.032 13.418 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.010 28.082 16.110 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.654 26.495 15.459 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.276 27.710 14.976 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.405 27.713 13.455 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.155 31.358 16.221 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.046 30.069 16.746 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.763 29.702 16.456 1.00 0.00 H new ATOM 77 N ALA A 2 -3.730 25.752 14.597 1.00 0.00 N ATOM 78 CA ALA A 2 -4.714 24.871 15.214 1.00 0.00 C ATOM 79 C ALA A 2 -4.457 23.446 14.707 1.00 0.00 C ATOM 80 O ALA A 2 -4.186 23.245 13.518 1.00 0.00 O ATOM 81 CB ALA A 2 -6.132 25.343 14.855 1.00 0.00 C ATOM 0 H ALA A 2 -3.378 25.381 13.715 1.00 0.00 H new ATOM 0 HA ALA A 2 -4.626 24.890 16.300 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -6.864 24.681 15.318 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -6.280 26.360 15.219 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -6.259 25.323 13.773 1.00 0.00 H new ATOM 87 N THR A 3 -4.532 22.451 15.590 1.00 0.00 N ATOM 88 CA THR A 3 -4.212 21.056 15.244 1.00 0.00 C ATOM 89 C THR A 3 -5.449 20.357 14.682 1.00 0.00 C ATOM 90 O THR A 3 -6.132 19.576 15.347 1.00 0.00 O ATOM 91 CB THR A 3 -3.565 20.286 16.404 1.00 0.00 C ATOM 92 OG1 THR A 3 -2.642 21.096 17.109 1.00 0.00 O ATOM 93 CG2 THR A 3 -2.783 19.121 15.804 1.00 0.00 C ATOM 0 H THR A 3 -4.814 22.582 16.561 1.00 0.00 H new ATOM 0 HA THR A 3 -3.452 21.071 14.463 1.00 0.00 H new ATOM 0 HB THR A 3 -4.347 19.959 17.089 1.00 0.00 H new ATOM 0 HG1 THR A 3 -2.247 20.580 17.843 1.00 0.00 H new ATOM 0 HG21 THR A 3 -2.309 18.551 16.603 1.00 0.00 H new ATOM 0 HG22 THR A 3 -3.463 18.473 15.250 1.00 0.00 H new ATOM 0 HG23 THR A 3 -2.018 19.505 15.129 1.00 0.00 H new ATOM 101 N GLU A 4 -5.781 20.720 13.447 1.00 0.00 N ATOM 102 CA GLU A 4 -7.128 20.597 12.878 1.00 0.00 C ATOM 103 C GLU A 4 -7.362 19.340 12.017 1.00 0.00 C ATOM 104 O GLU A 4 -8.380 19.219 11.331 1.00 0.00 O ATOM 105 CB GLU A 4 -7.474 21.926 12.189 1.00 0.00 C ATOM 106 CG GLU A 4 -6.689 22.183 10.892 1.00 0.00 C ATOM 107 CD GLU A 4 -7.170 23.476 10.207 1.00 0.00 C ATOM 108 OE1 GLU A 4 -8.118 23.418 9.386 1.00 0.00 O ATOM 109 OE2 GLU A 4 -6.600 24.563 10.472 1.00 0.00 O ATOM 0 H GLU A 4 -5.107 21.119 12.794 1.00 0.00 H new ATOM 0 HA GLU A 4 -7.836 20.423 13.688 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -8.541 21.940 11.964 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -7.284 22.744 12.884 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.625 22.259 11.115 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.813 21.339 10.213 1.00 0.00 H new ATOM 116 N LEU A 5 -6.438 18.378 12.084 1.00 0.00 N ATOM 117 CA LEU A 5 -6.451 17.104 11.351 1.00 0.00 C ATOM 118 C LEU A 5 -7.380 16.054 12.009 1.00 0.00 C ATOM 119 O LEU A 5 -7.041 14.882 12.177 1.00 0.00 O ATOM 120 CB LEU A 5 -4.992 16.643 11.123 1.00 0.00 C ATOM 121 CG LEU A 5 -4.753 16.092 9.707 1.00 0.00 C ATOM 122 CD1 LEU A 5 -3.261 15.825 9.498 1.00 0.00 C ATOM 123 CD2 LEU A 5 -5.508 14.796 9.404 1.00 0.00 C ATOM 0 H LEU A 5 -5.616 18.469 12.682 1.00 0.00 H new ATOM 0 HA LEU A 5 -6.898 17.243 10.366 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -4.319 17.482 11.299 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -4.741 15.874 11.854 1.00 0.00 H new ATOM 0 HG LEU A 5 -5.130 16.858 9.030 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -3.098 15.435 8.493 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -2.704 16.754 9.621 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.916 15.096 10.231 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -5.285 14.475 8.387 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.198 14.022 10.105 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -6.580 14.967 9.504 1.00 0.00 H new ATOM 135 N GLU A 6 -8.568 16.495 12.420 1.00 0.00 N ATOM 136 CA GLU A 6 -9.593 15.705 13.117 1.00 0.00 C ATOM 137 C GLU A 6 -10.588 15.087 12.111 1.00 0.00 C ATOM 138 O GLU A 6 -11.805 15.272 12.199 1.00 0.00 O ATOM 139 CB GLU A 6 -10.236 16.574 14.217 1.00 0.00 C ATOM 140 CG GLU A 6 -10.980 15.745 15.274 1.00 0.00 C ATOM 141 CD GLU A 6 -11.572 16.649 16.372 1.00 0.00 C ATOM 142 OE1 GLU A 6 -12.718 17.139 16.214 1.00 0.00 O ATOM 143 OE2 GLU A 6 -10.901 16.871 17.411 1.00 0.00 O ATOM 0 H GLU A 6 -8.860 17.461 12.270 1.00 0.00 H new ATOM 0 HA GLU A 6 -9.148 14.848 13.622 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -9.461 17.165 14.705 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -10.931 17.277 13.758 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -11.778 15.175 14.798 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -10.297 15.023 15.722 1.00 0.00 H new ATOM 150 N TYR A 7 -10.056 14.395 11.096 1.00 0.00 N ATOM 151 CA TYR A 7 -10.818 13.805 9.994 1.00 0.00 C ATOM 152 C TYR A 7 -10.153 12.523 9.478 1.00 0.00 C ATOM 153 O TYR A 7 -8.928 12.446 9.394 1.00 0.00 O ATOM 154 CB TYR A 7 -10.983 14.834 8.858 1.00 0.00 C ATOM 155 CG TYR A 7 -9.733 15.166 8.049 1.00 0.00 C ATOM 156 CD1 TYR A 7 -9.317 14.313 7.004 1.00 0.00 C ATOM 157 CD2 TYR A 7 -9.019 16.355 8.300 1.00 0.00 C ATOM 158 CE1 TYR A 7 -8.221 14.656 6.192 1.00 0.00 C ATOM 159 CE2 TYR A 7 -7.906 16.693 7.503 1.00 0.00 C ATOM 160 CZ TYR A 7 -7.506 15.848 6.443 1.00 0.00 C ATOM 161 OH TYR A 7 -6.444 16.191 5.665 1.00 0.00 O ATOM 0 H TYR A 7 -9.053 14.226 11.019 1.00 0.00 H new ATOM 0 HA TYR A 7 -11.805 13.532 10.367 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -11.745 14.464 8.172 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -11.365 15.759 9.289 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -9.845 13.388 6.826 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -9.325 17.008 9.104 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -7.927 14.009 5.378 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -7.357 17.601 7.703 1.00 0.00 H new ATOM 0 HH TYR A 7 -6.070 17.041 5.978 1.00 0.00 H new ATOM 171 N GLU A 8 -10.965 11.526 9.111 1.00 0.00 N ATOM 172 CA GLU A 8 -10.574 10.335 8.351 1.00 0.00 C ATOM 173 C GLU A 8 -11.834 9.489 8.118 1.00 0.00 C ATOM 174 O GLU A 8 -12.512 9.101 9.073 1.00 0.00 O ATOM 175 CB GLU A 8 -9.546 9.490 9.151 1.00 0.00 C ATOM 176 CG GLU A 8 -8.174 9.403 8.472 1.00 0.00 C ATOM 177 CD GLU A 8 -7.123 8.740 9.387 1.00 0.00 C ATOM 178 OE1 GLU A 8 -7.415 7.703 10.033 1.00 0.00 O ATOM 179 OE2 GLU A 8 -5.979 9.253 9.448 1.00 0.00 O ATOM 0 H GLU A 8 -11.957 11.528 9.347 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.119 10.637 7.408 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.425 9.922 10.144 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -9.941 8.483 9.287 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -8.262 8.833 7.547 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -7.839 10.404 8.199 1.00 0.00 H new ATOM 186 N SER A 9 -12.151 9.184 6.861 1.00 0.00 N ATOM 187 CA SER A 9 -13.134 8.152 6.514 1.00 0.00 C ATOM 188 C SER A 9 -12.398 6.831 6.292 1.00 0.00 C ATOM 189 O SER A 9 -11.702 6.679 5.290 1.00 0.00 O ATOM 190 CB SER A 9 -13.915 8.546 5.256 1.00 0.00 C ATOM 191 OG SER A 9 -14.868 9.557 5.550 1.00 0.00 O ATOM 0 H SER A 9 -11.735 9.644 6.052 1.00 0.00 H new ATOM 0 HA SER A 9 -13.850 8.044 7.328 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.225 8.902 4.491 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.421 7.671 4.847 1.00 0.00 H new ATOM 0 HG SER A 9 -15.355 9.795 4.733 1.00 0.00 H new ATOM 197 N VAL A 10 -12.506 5.887 7.229 1.00 0.00 N ATOM 198 CA VAL A 10 -11.892 4.542 7.127 1.00 0.00 C ATOM 199 C VAL A 10 -12.652 3.673 6.120 1.00 0.00 C ATOM 200 O VAL A 10 -13.878 3.760 6.011 1.00 0.00 O ATOM 201 CB VAL A 10 -11.803 3.867 8.514 1.00 0.00 C ATOM 202 CG1 VAL A 10 -11.078 2.516 8.459 1.00 0.00 C ATOM 203 CG2 VAL A 10 -11.048 4.734 9.534 1.00 0.00 C ATOM 0 H VAL A 10 -13.027 6.027 8.095 1.00 0.00 H new ATOM 0 HA VAL A 10 -10.873 4.657 6.758 1.00 0.00 H new ATOM 0 HB VAL A 10 -12.839 3.729 8.823 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.041 2.082 9.458 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -11.614 1.843 7.790 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -10.063 2.663 8.090 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -11.011 4.218 10.493 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -10.033 4.913 9.179 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -11.564 5.687 9.654 1.00 0.00 H new ATOM 213 N LEU A 11 -11.918 2.841 5.373 1.00 0.00 N ATOM 214 CA LEU A 11 -12.413 2.089 4.212 1.00 0.00 C ATOM 215 C LEU A 11 -12.024 0.600 4.286 1.00 0.00 C ATOM 216 O LEU A 11 -12.819 -0.262 3.913 1.00 0.00 O ATOM 217 CB LEU A 11 -11.858 2.731 2.923 1.00 0.00 C ATOM 218 CG LEU A 11 -12.206 4.210 2.673 1.00 0.00 C ATOM 219 CD1 LEU A 11 -11.449 4.705 1.440 1.00 0.00 C ATOM 220 CD2 LEU A 11 -13.702 4.422 2.433 1.00 0.00 C ATOM 0 H LEU A 11 -10.932 2.666 5.565 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.502 2.133 4.209 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -10.772 2.636 2.938 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -12.217 2.150 2.073 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.920 4.766 3.566 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -11.693 5.752 1.259 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -10.377 4.606 1.607 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -11.737 4.111 0.573 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -13.897 5.481 2.262 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -14.015 3.850 1.560 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -14.262 4.087 3.306 1.00 0.00 H new ATOM 232 N CYS A 12 -10.824 0.295 4.794 1.00 0.00 N ATOM 233 CA CYS A 12 -10.357 -1.058 5.110 1.00 0.00 C ATOM 234 C CYS A 12 -9.308 -1.008 6.225 1.00 0.00 C ATOM 235 O CYS A 12 -8.470 -0.109 6.257 1.00 0.00 O ATOM 236 CB CYS A 12 -9.779 -1.709 3.845 1.00 0.00 C ATOM 237 SG CYS A 12 -9.329 -3.443 4.139 1.00 0.00 S ATOM 0 H CYS A 12 -10.127 1.010 5.003 1.00 0.00 H new ATOM 0 HA CYS A 12 -11.196 -1.659 5.462 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -10.510 -1.653 3.039 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -8.900 -1.154 3.517 1.00 0.00 H new ATOM 0 HG CYS A 12 -8.847 -3.957 3.047 1.00 0.00 H new ATOM 243 N VAL A 13 -9.328 -1.989 7.123 1.00 0.00 N ATOM 244 CA VAL A 13 -8.271 -2.229 8.119 1.00 0.00 C ATOM 245 C VAL A 13 -7.940 -3.723 8.156 1.00 0.00 C ATOM 246 O VAL A 13 -8.839 -4.550 8.322 1.00 0.00 O ATOM 247 CB VAL A 13 -8.670 -1.689 9.512 1.00 0.00 C ATOM 248 CG1 VAL A 13 -7.615 -1.988 10.586 1.00 0.00 C ATOM 249 CG2 VAL A 13 -8.862 -0.165 9.484 1.00 0.00 C ATOM 0 H VAL A 13 -10.095 -2.659 7.185 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.375 -1.682 7.826 1.00 0.00 H new ATOM 0 HB VAL A 13 -9.601 -2.198 9.761 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.947 -1.587 11.544 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.479 -3.066 10.672 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.669 -1.524 10.306 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.142 0.185 10.478 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.931 0.313 9.180 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.649 0.090 8.775 1.00 0.00 H new ATOM 259 N LYS A 14 -6.652 -4.069 8.014 1.00 0.00 N ATOM 260 CA LYS A 14 -6.126 -5.449 8.134 1.00 0.00 C ATOM 261 C LYS A 14 -5.054 -5.539 9.242 1.00 0.00 C ATOM 262 O LYS A 14 -4.162 -4.685 9.256 1.00 0.00 O ATOM 263 CB LYS A 14 -5.597 -5.986 6.787 1.00 0.00 C ATOM 264 CG LYS A 14 -6.618 -6.001 5.632 1.00 0.00 C ATOM 265 CD LYS A 14 -7.750 -7.014 5.843 1.00 0.00 C ATOM 266 CE LYS A 14 -8.673 -7.075 4.625 1.00 0.00 C ATOM 267 NZ LYS A 14 -9.691 -8.142 4.791 1.00 0.00 N ATOM 0 H LYS A 14 -5.924 -3.385 7.807 1.00 0.00 H new ATOM 0 HA LYS A 14 -6.959 -6.090 8.422 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -4.742 -5.381 6.485 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.231 -7.002 6.939 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -7.046 -5.005 5.520 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -6.101 -6.232 4.701 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.328 -8.001 6.032 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.327 -6.740 6.726 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.167 -6.113 4.488 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -8.085 -7.263 3.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -10.297 -8.178 3.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.216 -9.059 4.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -10.275 -7.938 5.627 1.00 0.00 H new ATOM 281 N PRO A 15 -5.088 -6.539 10.152 1.00 0.00 N ATOM 282 CA PRO A 15 -4.204 -6.567 11.329 1.00 0.00 C ATOM 283 C PRO A 15 -2.717 -6.801 11.044 1.00 0.00 C ATOM 284 O PRO A 15 -1.876 -6.346 11.818 1.00 0.00 O ATOM 285 CB PRO A 15 -4.716 -7.703 12.220 1.00 0.00 C ATOM 286 CG PRO A 15 -6.167 -7.885 11.792 1.00 0.00 C ATOM 287 CD PRO A 15 -6.120 -7.562 10.303 1.00 0.00 C ATOM 0 HA PRO A 15 -4.245 -5.578 11.785 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.139 -8.616 12.073 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.641 -7.446 13.277 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -6.519 -8.900 11.975 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -6.835 -7.214 12.331 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -5.880 -8.449 9.717 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -7.085 -7.199 9.951 1.00 0.00 H new ATOM 295 N ASP A 16 -2.391 -7.532 9.975 1.00 0.00 N ATOM 296 CA ASP A 16 -1.010 -7.913 9.651 1.00 0.00 C ATOM 297 C ASP A 16 -0.688 -7.765 8.155 1.00 0.00 C ATOM 298 O ASP A 16 -1.331 -8.365 7.289 1.00 0.00 O ATOM 299 CB ASP A 16 -0.721 -9.332 10.149 1.00 0.00 C ATOM 300 CG ASP A 16 0.786 -9.632 10.125 1.00 0.00 C ATOM 301 OD1 ASP A 16 1.544 -8.965 10.872 1.00 0.00 O ATOM 302 OD2 ASP A 16 1.212 -10.543 9.377 1.00 0.00 O ATOM 0 H ASP A 16 -3.079 -7.879 9.306 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.350 -7.218 10.171 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.102 -9.449 11.164 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.248 -10.054 9.525 1.00 0.00 H new ATOM 307 N VAL A 17 0.335 -6.961 7.875 1.00 0.00 N ATOM 308 CA VAL A 17 0.910 -6.671 6.557 1.00 0.00 C ATOM 309 C VAL A 17 2.409 -6.380 6.712 1.00 0.00 C ATOM 310 O VAL A 17 2.850 -5.872 7.752 1.00 0.00 O ATOM 311 CB VAL A 17 0.136 -5.517 5.879 1.00 0.00 C ATOM 312 CG1 VAL A 17 0.446 -4.125 6.450 1.00 0.00 C ATOM 313 CG2 VAL A 17 0.363 -5.479 4.366 1.00 0.00 C ATOM 0 H VAL A 17 0.822 -6.456 8.616 1.00 0.00 H new ATOM 0 HA VAL A 17 0.812 -7.535 5.900 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.908 -5.743 6.098 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.139 -3.375 5.918 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.190 -4.101 7.509 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.508 -3.910 6.329 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.201 -4.652 3.934 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.425 -5.341 4.161 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.027 -6.417 3.924 1.00 0.00 H new ATOM 323 N SER A 18 3.202 -6.711 5.693 1.00 0.00 N ATOM 324 CA SER A 18 4.673 -6.711 5.770 1.00 0.00 C ATOM 325 C SER A 18 5.311 -5.844 4.688 1.00 0.00 C ATOM 326 O SER A 18 4.964 -5.987 3.519 1.00 0.00 O ATOM 327 CB SER A 18 5.196 -8.146 5.656 1.00 0.00 C ATOM 328 OG SER A 18 4.656 -8.970 6.678 1.00 0.00 O ATOM 0 H SER A 18 2.843 -6.990 4.780 1.00 0.00 H new ATOM 0 HA SER A 18 4.949 -6.285 6.735 1.00 0.00 H new ATOM 0 HB2 SER A 18 4.936 -8.555 4.680 1.00 0.00 H new ATOM 0 HB3 SER A 18 6.284 -8.146 5.722 1.00 0.00 H new ATOM 0 HG SER A 18 5.004 -9.881 6.582 1.00 0.00 H new ATOM 334 N VAL A 19 6.247 -4.966 5.064 1.00 0.00 N ATOM 335 CA VAL A 19 6.956 -4.028 4.173 1.00 0.00 C ATOM 336 C VAL A 19 8.305 -4.560 3.726 1.00 0.00 C ATOM 337 O VAL A 19 9.121 -5.013 4.531 1.00 0.00 O ATOM 338 CB VAL A 19 7.124 -2.631 4.806 1.00 0.00 C ATOM 339 CG1 VAL A 19 8.018 -1.684 3.984 1.00 0.00 C ATOM 340 CG2 VAL A 19 5.767 -1.942 4.937 1.00 0.00 C ATOM 0 H VAL A 19 6.547 -4.882 6.035 1.00 0.00 H new ATOM 0 HA VAL A 19 6.322 -3.929 3.292 1.00 0.00 H new ATOM 0 HB VAL A 19 7.594 -2.812 5.773 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.090 -0.721 4.490 1.00 0.00 H new ATOM 0 HG12 VAL A 19 9.013 -2.118 3.885 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.584 -1.542 2.994 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.901 -0.957 5.385 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.317 -1.834 3.950 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.113 -2.543 5.569 1.00 0.00 H new ATOM 350 N TYR A 20 8.570 -4.381 2.437 1.00 0.00 N ATOM 351 CA TYR A 20 9.861 -4.607 1.809 1.00 0.00 C ATOM 352 C TYR A 20 10.250 -3.373 0.990 1.00 0.00 C ATOM 353 O TYR A 20 9.500 -2.914 0.127 1.00 0.00 O ATOM 354 CB TYR A 20 9.824 -5.874 0.940 1.00 0.00 C ATOM 355 CG TYR A 20 8.875 -6.963 1.404 1.00 0.00 C ATOM 356 CD1 TYR A 20 7.575 -7.035 0.869 1.00 0.00 C ATOM 357 CD2 TYR A 20 9.277 -7.873 2.395 1.00 0.00 C ATOM 358 CE1 TYR A 20 6.678 -8.023 1.318 1.00 0.00 C ATOM 359 CE2 TYR A 20 8.382 -8.853 2.860 1.00 0.00 C ATOM 360 CZ TYR A 20 7.080 -8.933 2.323 1.00 0.00 C ATOM 361 OH TYR A 20 6.232 -9.894 2.780 1.00 0.00 O ATOM 0 H TYR A 20 7.861 -4.062 1.777 1.00 0.00 H new ATOM 0 HA TYR A 20 10.618 -4.764 2.577 1.00 0.00 H new ATOM 0 HB2 TYR A 20 9.550 -5.588 -0.076 1.00 0.00 H new ATOM 0 HB3 TYR A 20 10.830 -6.290 0.894 1.00 0.00 H new ATOM 0 HD1 TYR A 20 7.265 -6.330 0.112 1.00 0.00 H new ATOM 0 HD2 TYR A 20 10.276 -7.820 2.801 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.686 -8.086 0.896 1.00 0.00 H new ATOM 0 HE2 TYR A 20 8.692 -9.545 3.629 1.00 0.00 H new ATOM 0 HH TYR A 20 6.682 -10.427 3.469 1.00 0.00 H new ATOM 371 N ARG A 21 11.442 -2.835 1.244 1.00 0.00 N ATOM 372 CA ARG A 21 12.068 -1.825 0.373 1.00 0.00 C ATOM 373 C ARG A 21 12.422 -2.464 -0.978 1.00 0.00 C ATOM 374 O ARG A 21 13.019 -3.543 -1.011 1.00 0.00 O ATOM 375 CB ARG A 21 13.309 -1.198 1.039 1.00 0.00 C ATOM 376 CG ARG A 21 13.085 -0.660 2.462 1.00 0.00 C ATOM 377 CD ARG A 21 11.991 0.411 2.575 1.00 0.00 C ATOM 378 NE ARG A 21 11.805 0.780 3.988 1.00 0.00 N ATOM 379 CZ ARG A 21 11.449 1.931 4.515 1.00 0.00 C ATOM 380 NH1 ARG A 21 11.423 2.017 5.809 1.00 0.00 N ATOM 381 NH2 ARG A 21 11.128 2.976 3.805 1.00 0.00 N ATOM 0 H ARG A 21 12.006 -3.083 2.057 1.00 0.00 H new ATOM 0 HA ARG A 21 11.357 -1.016 0.206 1.00 0.00 H new ATOM 0 HB2 ARG A 21 14.102 -1.946 1.071 1.00 0.00 H new ATOM 0 HB3 ARG A 21 13.666 -0.382 0.411 1.00 0.00 H new ATOM 0 HG2 ARG A 21 12.828 -1.494 3.115 1.00 0.00 H new ATOM 0 HG3 ARG A 21 14.022 -0.244 2.831 1.00 0.00 H new ATOM 0 HD2 ARG A 21 12.267 1.290 1.992 1.00 0.00 H new ATOM 0 HD3 ARG A 21 11.056 0.035 2.161 1.00 0.00 H new ATOM 0 HE ARG A 21 11.978 0.031 4.658 1.00 0.00 H new ATOM 0 HH11 ARG A 21 11.673 1.209 6.379 1.00 0.00 H new ATOM 0 HH12 ARG A 21 11.152 2.893 6.257 1.00 0.00 H new ATOM 0 HH21 ARG A 21 11.145 2.925 2.786 1.00 0.00 H new ATOM 0 HH22 ARG A 21 10.859 3.844 4.268 1.00 0.00 H new ATOM 395 N ILE A 22 12.049 -1.809 -2.077 1.00 0.00 N ATOM 396 CA ILE A 22 12.210 -2.317 -3.453 1.00 0.00 C ATOM 397 C ILE A 22 13.297 -1.552 -4.238 1.00 0.00 C ATOM 398 O ILE A 22 13.508 -0.362 -3.982 1.00 0.00 O ATOM 399 CB ILE A 22 10.863 -2.317 -4.218 1.00 0.00 C ATOM 400 CG1 ILE A 22 10.292 -0.894 -4.411 1.00 0.00 C ATOM 401 CG2 ILE A 22 9.851 -3.251 -3.533 1.00 0.00 C ATOM 402 CD1 ILE A 22 8.981 -0.871 -5.197 1.00 0.00 C ATOM 0 H ILE A 22 11.615 -0.887 -2.042 1.00 0.00 H new ATOM 0 HA ILE A 22 12.548 -3.350 -3.367 1.00 0.00 H new ATOM 0 HB ILE A 22 11.057 -2.702 -5.219 1.00 0.00 H new ATOM 0 HG12 ILE A 22 10.130 -0.439 -3.434 1.00 0.00 H new ATOM 0 HG13 ILE A 22 11.029 -0.281 -4.929 1.00 0.00 H new ATOM 0 HG21 ILE A 22 8.911 -3.237 -4.085 1.00 0.00 H new ATOM 0 HG22 ILE A 22 10.247 -4.266 -3.516 1.00 0.00 H new ATOM 0 HG23 ILE A 22 9.677 -2.912 -2.512 1.00 0.00 H new ATOM 0 HD11 ILE A 22 8.635 0.158 -5.297 1.00 0.00 H new ATOM 0 HD12 ILE A 22 9.143 -1.297 -6.187 1.00 0.00 H new ATOM 0 HD13 ILE A 22 8.229 -1.457 -4.668 1.00 0.00 H new ATOM 414 N PRO A 23 13.968 -2.188 -5.218 1.00 0.00 N ATOM 415 CA PRO A 23 14.797 -1.483 -6.197 1.00 0.00 C ATOM 416 C PRO A 23 13.932 -0.665 -7.183 1.00 0.00 C ATOM 417 O PRO A 23 12.751 -0.983 -7.376 1.00 0.00 O ATOM 418 CB PRO A 23 15.582 -2.587 -6.916 1.00 0.00 C ATOM 419 CG PRO A 23 14.623 -3.777 -6.877 1.00 0.00 C ATOM 420 CD PRO A 23 13.930 -3.615 -5.526 1.00 0.00 C ATOM 0 HA PRO A 23 15.459 -0.758 -5.725 1.00 0.00 H new ATOM 0 HB2 PRO A 23 15.831 -2.304 -7.939 1.00 0.00 H new ATOM 0 HB3 PRO A 23 16.521 -2.809 -6.409 1.00 0.00 H new ATOM 0 HG2 PRO A 23 13.911 -3.749 -7.702 1.00 0.00 H new ATOM 0 HG3 PRO A 23 15.154 -4.726 -6.947 1.00 0.00 H new ATOM 0 HD2 PRO A 23 12.903 -3.977 -5.569 1.00 0.00 H new ATOM 0 HD3 PRO A 23 14.439 -4.193 -4.755 1.00 0.00 H new ATOM 428 N PRO A 24 14.492 0.364 -7.851 1.00 0.00 N ATOM 429 CA PRO A 24 13.813 1.062 -8.945 1.00 0.00 C ATOM 430 C PRO A 24 13.561 0.114 -10.131 1.00 0.00 C ATOM 431 O PRO A 24 14.378 -0.769 -10.422 1.00 0.00 O ATOM 432 CB PRO A 24 14.731 2.230 -9.317 1.00 0.00 C ATOM 433 CG PRO A 24 16.123 1.718 -8.939 1.00 0.00 C ATOM 434 CD PRO A 24 15.853 0.865 -7.700 1.00 0.00 C ATOM 0 HA PRO A 24 12.827 1.424 -8.653 1.00 0.00 H new ATOM 0 HB2 PRO A 24 14.665 2.471 -10.378 1.00 0.00 H new ATOM 0 HB3 PRO A 24 14.473 3.135 -8.768 1.00 0.00 H new ATOM 0 HG2 PRO A 24 16.569 1.132 -9.743 1.00 0.00 H new ATOM 0 HG3 PRO A 24 16.809 2.537 -8.723 1.00 0.00 H new ATOM 0 HD2 PRO A 24 16.566 0.044 -7.628 1.00 0.00 H new ATOM 0 HD3 PRO A 24 15.953 1.455 -6.789 1.00 0.00 H new ATOM 442 N ARG A 25 12.428 0.284 -10.826 1.00 0.00 N ATOM 443 CA ARG A 25 11.997 -0.633 -11.898 1.00 0.00 C ATOM 444 C ARG A 25 12.842 -0.520 -13.175 1.00 0.00 C ATOM 445 O ARG A 25 13.365 0.542 -13.521 1.00 0.00 O ATOM 446 CB ARG A 25 10.488 -0.467 -12.176 1.00 0.00 C ATOM 447 CG ARG A 25 9.936 -1.532 -13.143 1.00 0.00 C ATOM 448 CD ARG A 25 8.421 -1.720 -13.091 1.00 0.00 C ATOM 449 NE ARG A 25 7.676 -0.461 -13.309 1.00 0.00 N ATOM 450 CZ ARG A 25 6.796 0.092 -12.489 1.00 0.00 C ATOM 451 NH1 ARG A 25 6.141 1.161 -12.827 1.00 0.00 N ATOM 452 NH2 ARG A 25 6.533 -0.397 -11.317 1.00 0.00 N ATOM 0 H ARG A 25 11.784 1.058 -10.664 1.00 0.00 H new ATOM 0 HA ARG A 25 12.168 -1.647 -11.538 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.942 -0.521 -11.234 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.307 0.524 -12.593 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.220 -1.261 -14.160 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.414 -2.486 -12.922 1.00 0.00 H new ATOM 0 HD2 ARG A 25 8.124 -2.447 -13.847 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.145 -2.136 -12.122 1.00 0.00 H new ATOM 0 HE ARG A 25 7.859 0.033 -14.182 1.00 0.00 H new ATOM 0 HH11 ARG A 25 6.300 1.590 -13.739 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.467 1.572 -12.181 1.00 0.00 H new ATOM 0 HH21 ARG A 25 7.012 -1.239 -10.996 1.00 0.00 H new ATOM 0 HH22 ARG A 25 5.848 0.060 -10.716 1.00 0.00 H new ATOM 466 N ALA A 26 12.905 -1.648 -13.878 1.00 0.00 N ATOM 467 CA ALA A 26 13.323 -1.819 -15.267 1.00 0.00 C ATOM 468 C ALA A 26 12.313 -1.181 -16.266 1.00 0.00 C ATOM 469 O ALA A 26 11.787 -0.089 -16.039 1.00 0.00 O ATOM 470 CB ALA A 26 13.455 -3.342 -15.439 1.00 0.00 C ATOM 0 H ALA A 26 12.644 -2.539 -13.456 1.00 0.00 H new ATOM 0 HA ALA A 26 14.260 -1.307 -15.485 1.00 0.00 H new ATOM 0 HB1 ALA A 26 13.767 -3.567 -16.459 1.00 0.00 H new ATOM 0 HB2 ALA A 26 14.198 -3.724 -14.739 1.00 0.00 H new ATOM 0 HB3 ALA A 26 12.493 -3.815 -15.241 1.00 0.00 H new ATOM 476 N SER A 27 12.021 -1.878 -17.369 1.00 0.00 N ATOM 477 CA SER A 27 11.050 -1.484 -18.410 1.00 0.00 C ATOM 478 C SER A 27 10.243 -2.677 -18.946 1.00 0.00 C ATOM 479 O SER A 27 9.047 -2.554 -19.212 1.00 0.00 O ATOM 480 CB SER A 27 11.791 -0.795 -19.565 1.00 0.00 C ATOM 481 OG SER A 27 12.718 -1.685 -20.178 1.00 0.00 O ATOM 0 H SER A 27 12.470 -2.770 -17.575 1.00 0.00 H new ATOM 0 HA SER A 27 10.339 -0.797 -17.952 1.00 0.00 H new ATOM 0 HB2 SER A 27 11.072 -0.445 -20.306 1.00 0.00 H new ATOM 0 HB3 SER A 27 12.317 0.084 -19.192 1.00 0.00 H new ATOM 0 HG SER A 27 13.177 -1.225 -20.912 1.00 0.00 H new ATOM 487 N ASN A 28 10.889 -3.845 -19.057 1.00 0.00 N ATOM 488 CA ASN A 28 10.337 -5.101 -19.575 1.00 0.00 C ATOM 489 C ASN A 28 10.538 -6.259 -18.568 1.00 0.00 C ATOM 490 O ASN A 28 10.910 -7.372 -18.948 1.00 0.00 O ATOM 491 CB ASN A 28 10.945 -5.372 -20.970 1.00 0.00 C ATOM 492 CG ASN A 28 10.461 -4.404 -22.040 1.00 0.00 C ATOM 493 OD1 ASN A 28 9.537 -4.689 -22.791 1.00 0.00 O ATOM 494 ND2 ASN A 28 11.056 -3.238 -22.161 1.00 0.00 N ATOM 0 H ASN A 28 11.863 -3.943 -18.772 1.00 0.00 H new ATOM 0 HA ASN A 28 9.257 -5.020 -19.697 1.00 0.00 H new ATOM 0 HB2 ASN A 28 12.031 -5.313 -20.902 1.00 0.00 H new ATOM 0 HB3 ASN A 28 10.699 -6.390 -21.274 1.00 0.00 H new ATOM 0 HD21 ASN A 28 10.747 -2.580 -22.876 1.00 0.00 H new ATOM 0 HD22 ASN A 28 11.827 -2.992 -21.540 1.00 0.00 H new ATOM 501 N ARG A 29 10.348 -5.986 -17.265 1.00 0.00 N ATOM 502 CA ARG A 29 10.454 -6.980 -16.171 1.00 0.00 C ATOM 503 C ARG A 29 9.274 -6.947 -15.211 1.00 0.00 C ATOM 504 O ARG A 29 8.606 -7.970 -15.053 1.00 0.00 O ATOM 505 CB ARG A 29 11.776 -6.824 -15.391 1.00 0.00 C ATOM 506 CG ARG A 29 13.038 -7.097 -16.219 1.00 0.00 C ATOM 507 CD ARG A 29 13.063 -8.567 -16.642 1.00 0.00 C ATOM 508 NE ARG A 29 14.277 -8.900 -17.412 1.00 0.00 N ATOM 509 CZ ARG A 29 14.423 -8.877 -18.726 1.00 0.00 C ATOM 510 NH1 ARG A 29 15.558 -9.227 -19.262 1.00 0.00 N ATOM 511 NH2 ARG A 29 13.469 -8.513 -19.539 1.00 0.00 N ATOM 0 H ARG A 29 10.112 -5.051 -16.932 1.00 0.00 H new ATOM 0 HA ARG A 29 10.442 -7.954 -16.660 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.830 -5.811 -14.992 1.00 0.00 H new ATOM 0 HB3 ARG A 29 11.762 -7.502 -14.538 1.00 0.00 H new ATOM 0 HG2 ARG A 29 13.054 -6.454 -17.099 1.00 0.00 H new ATOM 0 HG3 ARG A 29 13.927 -6.861 -15.635 1.00 0.00 H new ATOM 0 HD2 ARG A 29 13.010 -9.200 -15.756 1.00 0.00 H new ATOM 0 HD3 ARG A 29 12.181 -8.786 -17.243 1.00 0.00 H new ATOM 0 HE ARG A 29 15.095 -9.179 -16.870 1.00 0.00 H new ATOM 0 HH11 ARG A 29 16.334 -9.519 -18.668 1.00 0.00 H new ATOM 0 HH12 ARG A 29 15.670 -9.209 -20.276 1.00 0.00 H new ATOM 0 HH21 ARG A 29 12.562 -8.230 -19.167 1.00 0.00 H new ATOM 0 HH22 ARG A 29 13.630 -8.512 -20.546 1.00 0.00 H new ATOM 525 N GLY A 30 9.025 -5.801 -14.574 1.00 0.00 N ATOM 526 CA GLY A 30 7.953 -5.664 -13.596 1.00 0.00 C ATOM 527 C GLY A 30 8.305 -6.272 -12.238 1.00 0.00 C ATOM 528 O GLY A 30 9.100 -7.209 -12.143 1.00 0.00 O ATOM 0 H GLY A 30 9.561 -4.946 -14.724 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.720 -4.607 -13.466 1.00 0.00 H new ATOM 0 HA3 GLY A 30 7.053 -6.144 -13.981 1.00 0.00 H new ATOM 532 N TYR A 31 7.707 -5.745 -11.173 1.00 0.00 N ATOM 533 CA TYR A 31 7.804 -6.318 -9.834 1.00 0.00 C ATOM 534 C TYR A 31 7.066 -7.658 -9.791 1.00 0.00 C ATOM 535 O TYR A 31 5.928 -7.736 -10.232 1.00 0.00 O ATOM 536 CB TYR A 31 7.182 -5.355 -8.816 1.00 0.00 C ATOM 537 CG TYR A 31 7.639 -3.907 -8.859 1.00 0.00 C ATOM 538 CD1 TYR A 31 6.720 -2.899 -8.512 1.00 0.00 C ATOM 539 CD2 TYR A 31 8.962 -3.559 -9.205 1.00 0.00 C ATOM 540 CE1 TYR A 31 7.121 -1.554 -8.475 1.00 0.00 C ATOM 541 CE2 TYR A 31 9.375 -2.215 -9.137 1.00 0.00 C ATOM 542 CZ TYR A 31 8.457 -1.206 -8.772 1.00 0.00 C ATOM 543 OH TYR A 31 8.857 0.094 -8.737 1.00 0.00 O ATOM 0 H TYR A 31 7.136 -4.901 -11.216 1.00 0.00 H new ATOM 0 HA TYR A 31 8.853 -6.478 -9.586 1.00 0.00 H new ATOM 0 HB2 TYR A 31 6.101 -5.372 -8.952 1.00 0.00 H new ATOM 0 HB3 TYR A 31 7.383 -5.743 -7.818 1.00 0.00 H new ATOM 0 HD1 TYR A 31 5.700 -3.162 -8.273 1.00 0.00 H new ATOM 0 HD2 TYR A 31 9.657 -4.323 -9.522 1.00 0.00 H new ATOM 0 HE1 TYR A 31 6.407 -0.785 -8.219 1.00 0.00 H new ATOM 0 HE2 TYR A 31 10.398 -1.955 -9.365 1.00 0.00 H new ATOM 0 HH TYR A 31 9.808 0.150 -8.967 1.00 0.00 H new ATOM 553 N ARG A 32 7.669 -8.705 -9.229 1.00 0.00 N ATOM 554 CA ARG A 32 7.115 -10.084 -9.226 1.00 0.00 C ATOM 555 C ARG A 32 6.930 -10.683 -7.836 1.00 0.00 C ATOM 556 O ARG A 32 6.798 -11.894 -7.701 1.00 0.00 O ATOM 557 CB ARG A 32 7.857 -11.021 -10.206 1.00 0.00 C ATOM 558 CG ARG A 32 9.376 -11.172 -10.026 1.00 0.00 C ATOM 559 CD ARG A 32 10.191 -10.057 -10.696 1.00 0.00 C ATOM 560 NE ARG A 32 9.927 -9.909 -12.143 1.00 0.00 N ATOM 561 CZ ARG A 32 10.252 -10.719 -13.133 1.00 0.00 C ATOM 562 NH1 ARG A 32 9.865 -10.449 -14.345 1.00 0.00 N ATOM 563 NH2 ARG A 32 10.959 -11.799 -12.951 1.00 0.00 N ATOM 0 H ARG A 32 8.568 -8.632 -8.753 1.00 0.00 H new ATOM 0 HA ARG A 32 6.099 -9.985 -9.609 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.409 -12.012 -10.130 1.00 0.00 H new ATOM 0 HB3 ARG A 32 7.672 -10.664 -11.219 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.607 -11.189 -8.961 1.00 0.00 H new ATOM 0 HG3 ARG A 32 9.688 -12.133 -10.435 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.973 -9.112 -10.198 1.00 0.00 H new ATOM 0 HD3 ARG A 32 11.252 -10.258 -10.549 1.00 0.00 H new ATOM 0 HE ARG A 32 9.424 -9.064 -12.414 1.00 0.00 H new ATOM 0 HH11 ARG A 32 9.311 -9.612 -14.529 1.00 0.00 H new ATOM 0 HH12 ARG A 32 10.115 -11.074 -15.111 1.00 0.00 H new ATOM 0 HH21 ARG A 32 11.283 -12.045 -12.016 1.00 0.00 H new ATOM 0 HH22 ARG A 32 11.188 -12.398 -13.744 1.00 0.00 H new ATOM 577 N ALA A 33 6.911 -9.833 -6.810 1.00 0.00 N ATOM 578 CA ALA A 33 6.919 -10.157 -5.380 1.00 0.00 C ATOM 579 C ALA A 33 8.157 -10.951 -4.894 1.00 0.00 C ATOM 580 O ALA A 33 8.792 -10.566 -3.915 1.00 0.00 O ATOM 581 CB ALA A 33 5.583 -10.827 -5.047 1.00 0.00 C ATOM 0 H ALA A 33 6.888 -8.825 -6.966 1.00 0.00 H new ATOM 0 HA ALA A 33 7.019 -9.230 -4.815 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.558 -11.081 -3.987 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.766 -10.143 -5.276 1.00 0.00 H new ATOM 0 HB3 ALA A 33 5.473 -11.735 -5.640 1.00 0.00 H new ATOM 587 N SER A 34 8.562 -12.005 -5.606 1.00 0.00 N ATOM 588 CA SER A 34 9.716 -12.868 -5.314 1.00 0.00 C ATOM 589 C SER A 34 11.082 -12.171 -5.419 1.00 0.00 C ATOM 590 O SER A 34 12.074 -12.659 -4.874 1.00 0.00 O ATOM 591 CB SER A 34 9.673 -14.078 -6.252 1.00 0.00 C ATOM 592 OG SER A 34 9.797 -13.673 -7.608 1.00 0.00 O ATOM 0 H SER A 34 8.068 -12.298 -6.449 1.00 0.00 H new ATOM 0 HA SER A 34 9.626 -13.165 -4.269 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.478 -14.768 -5.999 1.00 0.00 H new ATOM 0 HB3 SER A 34 8.736 -14.617 -6.114 1.00 0.00 H new ATOM 0 HG SER A 34 9.769 -14.462 -8.189 1.00 0.00 H new ATOM 598 N ASP A 35 11.137 -11.009 -6.077 1.00 0.00 N ATOM 599 CA ASP A 35 12.309 -10.126 -6.120 1.00 0.00 C ATOM 600 C ASP A 35 12.545 -9.376 -4.789 1.00 0.00 C ATOM 601 O ASP A 35 13.647 -8.883 -4.537 1.00 0.00 O ATOM 602 CB ASP A 35 12.109 -9.143 -7.284 1.00 0.00 C ATOM 603 CG ASP A 35 13.339 -8.250 -7.524 1.00 0.00 C ATOM 604 OD1 ASP A 35 13.233 -7.018 -7.323 1.00 0.00 O ATOM 605 OD2 ASP A 35 14.393 -8.778 -7.953 1.00 0.00 O ATOM 0 H ASP A 35 10.346 -10.646 -6.609 1.00 0.00 H new ATOM 0 HA ASP A 35 13.204 -10.730 -6.273 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.888 -9.703 -8.193 1.00 0.00 H new ATOM 0 HB3 ASP A 35 11.243 -8.514 -7.079 1.00 0.00 H new ATOM 610 N TRP A 36 11.524 -9.286 -3.927 1.00 0.00 N ATOM 611 CA TRP A 36 11.543 -8.551 -2.665 1.00 0.00 C ATOM 612 C TRP A 36 12.005 -9.437 -1.491 1.00 0.00 C ATOM 613 O TRP A 36 12.171 -10.654 -1.613 1.00 0.00 O ATOM 614 CB TRP A 36 10.147 -7.955 -2.411 1.00 0.00 C ATOM 615 CG TRP A 36 9.444 -7.212 -3.519 1.00 0.00 C ATOM 616 CD1 TRP A 36 9.975 -6.733 -4.673 1.00 0.00 C ATOM 617 CD2 TRP A 36 8.035 -6.819 -3.551 1.00 0.00 C ATOM 618 NE1 TRP A 36 8.995 -6.100 -5.417 1.00 0.00 N ATOM 619 CE2 TRP A 36 7.798 -6.073 -4.741 1.00 0.00 C ATOM 620 CE3 TRP A 36 6.935 -7.009 -2.684 1.00 0.00 C ATOM 621 CZ2 TRP A 36 6.560 -5.497 -5.037 1.00 0.00 C ATOM 622 CZ3 TRP A 36 5.681 -6.433 -2.967 1.00 0.00 C ATOM 623 CH2 TRP A 36 5.497 -5.673 -4.134 1.00 0.00 C ATOM 0 H TRP A 36 10.629 -9.743 -4.101 1.00 0.00 H new ATOM 0 HA TRP A 36 12.270 -7.742 -2.738 1.00 0.00 H new ATOM 0 HB2 TRP A 36 9.495 -8.771 -2.100 1.00 0.00 H new ATOM 0 HB3 TRP A 36 10.232 -7.274 -1.564 1.00 0.00 H new ATOM 0 HD1 TRP A 36 11.010 -6.831 -4.967 1.00 0.00 H new ATOM 0 HE1 TRP A 36 9.141 -5.705 -6.346 1.00 0.00 H new ATOM 0 HE3 TRP A 36 7.058 -7.605 -1.791 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 6.422 -4.927 -5.944 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 4.857 -6.576 -2.284 1.00 0.00 H new ATOM 0 HH2 TRP A 36 4.537 -5.223 -4.338 1.00 0.00 H new ATOM 634 N LYS A 37 12.193 -8.820 -0.320 1.00 0.00 N ATOM 635 CA LYS A 37 12.706 -9.451 0.913 1.00 0.00 C ATOM 636 C LYS A 37 11.659 -10.268 1.691 1.00 0.00 C ATOM 637 O LYS A 37 11.469 -10.072 2.890 1.00 0.00 O ATOM 638 CB LYS A 37 13.375 -8.394 1.804 1.00 0.00 C ATOM 639 CG LYS A 37 14.658 -7.806 1.205 1.00 0.00 C ATOM 640 CD LYS A 37 15.538 -7.135 2.269 1.00 0.00 C ATOM 641 CE LYS A 37 14.760 -6.163 3.168 1.00 0.00 C ATOM 642 NZ LYS A 37 15.637 -5.571 4.214 1.00 0.00 N ATOM 0 H LYS A 37 11.986 -7.829 -0.194 1.00 0.00 H new ATOM 0 HA LYS A 37 13.449 -10.184 0.598 1.00 0.00 H new ATOM 0 HB2 LYS A 37 12.667 -7.586 1.988 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.607 -8.841 2.771 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.224 -8.598 0.714 1.00 0.00 H new ATOM 0 HG3 LYS A 37 14.398 -7.077 0.438 1.00 0.00 H new ATOM 0 HD2 LYS A 37 15.999 -7.904 2.889 1.00 0.00 H new ATOM 0 HD3 LYS A 37 16.347 -6.596 1.776 1.00 0.00 H new ATOM 0 HE2 LYS A 37 14.329 -5.368 2.560 1.00 0.00 H new ATOM 0 HE3 LYS A 37 13.930 -6.688 3.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 15.082 -4.919 4.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 16.028 -6.329 4.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 16.415 -5.050 3.761 1.00 0.00 H new ATOM 656 N LEU A 38 10.996 -11.210 1.025 1.00 0.00 N ATOM 657 CA LEU A 38 9.841 -11.954 1.561 1.00 0.00 C ATOM 658 C LEU A 38 10.110 -12.771 2.841 1.00 0.00 C ATOM 659 O LEU A 38 9.163 -13.127 3.544 1.00 0.00 O ATOM 660 CB LEU A 38 9.282 -12.875 0.465 1.00 0.00 C ATOM 661 CG LEU A 38 8.826 -12.158 -0.817 1.00 0.00 C ATOM 662 CD1 LEU A 38 8.201 -13.194 -1.754 1.00 0.00 C ATOM 663 CD2 LEU A 38 7.800 -11.061 -0.545 1.00 0.00 C ATOM 0 H LEU A 38 11.246 -11.489 0.076 1.00 0.00 H new ATOM 0 HA LEU A 38 9.119 -11.195 1.861 1.00 0.00 H new ATOM 0 HB2 LEU A 38 10.046 -13.607 0.202 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.437 -13.429 0.873 1.00 0.00 H new ATOM 0 HG LEU A 38 9.701 -11.684 -1.263 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.871 -12.704 -2.670 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.940 -13.958 -1.997 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.346 -13.659 -1.263 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.514 -10.589 -1.485 1.00 0.00 H new ATOM 0 HD22 LEU A 38 6.918 -11.496 -0.074 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.234 -10.313 0.119 1.00 0.00 H new ATOM 675 N ASP A 39 11.376 -13.054 3.166 1.00 0.00 N ATOM 676 CA ASP A 39 11.784 -13.773 4.387 1.00 0.00 C ATOM 677 C ASP A 39 12.439 -12.852 5.442 1.00 0.00 C ATOM 678 O ASP A 39 12.756 -13.292 6.550 1.00 0.00 O ATOM 679 CB ASP A 39 12.670 -14.963 3.982 1.00 0.00 C ATOM 680 CG ASP A 39 12.889 -15.973 5.125 1.00 0.00 C ATOM 681 OD1 ASP A 39 11.888 -16.478 5.690 1.00 0.00 O ATOM 682 OD2 ASP A 39 14.058 -16.322 5.421 1.00 0.00 O ATOM 0 H ASP A 39 12.165 -12.786 2.578 1.00 0.00 H new ATOM 0 HA ASP A 39 10.895 -14.154 4.890 1.00 0.00 H new ATOM 0 HB2 ASP A 39 12.214 -15.476 3.135 1.00 0.00 H new ATOM 0 HB3 ASP A 39 13.637 -14.590 3.645 1.00 0.00 H new ATOM 687 N GLN A 40 12.620 -11.562 5.120 1.00 0.00 N ATOM 688 CA GLN A 40 13.182 -10.537 6.011 1.00 0.00 C ATOM 689 C GLN A 40 12.599 -9.130 5.723 1.00 0.00 C ATOM 690 O GLN A 40 13.320 -8.258 5.223 1.00 0.00 O ATOM 691 CB GLN A 40 14.733 -10.578 6.012 1.00 0.00 C ATOM 692 CG GLN A 40 15.470 -10.619 4.660 1.00 0.00 C ATOM 693 CD GLN A 40 15.451 -11.981 3.966 1.00 0.00 C ATOM 694 OE1 GLN A 40 15.678 -13.026 4.560 1.00 0.00 O ATOM 695 NE2 GLN A 40 15.212 -12.030 2.670 1.00 0.00 N ATOM 0 H GLN A 40 12.371 -11.192 4.203 1.00 0.00 H new ATOM 0 HA GLN A 40 12.872 -10.774 7.029 1.00 0.00 H new ATOM 0 HB2 GLN A 40 15.087 -9.702 6.556 1.00 0.00 H new ATOM 0 HB3 GLN A 40 15.041 -11.454 6.584 1.00 0.00 H new ATOM 0 HG2 GLN A 40 15.023 -9.881 3.995 1.00 0.00 H new ATOM 0 HG3 GLN A 40 16.506 -10.320 4.817 1.00 0.00 H new ATOM 0 HE21 GLN A 40 15.020 -11.171 2.154 1.00 0.00 H new ATOM 0 HE22 GLN A 40 15.219 -12.927 2.184 1.00 0.00 H new ATOM 704 N PRO A 41 11.304 -8.875 6.022 1.00 0.00 N ATOM 705 CA PRO A 41 10.698 -7.545 5.893 1.00 0.00 C ATOM 706 C PRO A 41 11.462 -6.475 6.681 1.00 0.00 C ATOM 707 O PRO A 41 11.987 -6.721 7.770 1.00 0.00 O ATOM 708 CB PRO A 41 9.243 -7.674 6.374 1.00 0.00 C ATOM 709 CG PRO A 41 9.269 -8.924 7.252 1.00 0.00 C ATOM 710 CD PRO A 41 10.336 -9.799 6.596 1.00 0.00 C ATOM 0 HA PRO A 41 10.737 -7.213 4.855 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.926 -6.795 6.936 1.00 0.00 H new ATOM 0 HB3 PRO A 41 8.552 -7.784 5.538 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.525 -8.684 8.284 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.299 -9.421 7.272 1.00 0.00 H new ATOM 0 HD2 PRO A 41 10.807 -10.456 7.327 1.00 0.00 H new ATOM 0 HD3 PRO A 41 9.901 -10.438 5.827 1.00 0.00 H new ATOM 718 N ASP A 42 11.493 -5.257 6.136 1.00 0.00 N ATOM 719 CA ASP A 42 12.064 -4.080 6.803 1.00 0.00 C ATOM 720 C ASP A 42 11.204 -3.642 8.003 1.00 0.00 C ATOM 721 O ASP A 42 11.726 -3.138 9.001 1.00 0.00 O ATOM 722 CB ASP A 42 12.188 -2.951 5.772 1.00 0.00 C ATOM 723 CG ASP A 42 12.866 -1.702 6.355 1.00 0.00 C ATOM 724 OD1 ASP A 42 12.218 -0.629 6.384 1.00 0.00 O ATOM 725 OD2 ASP A 42 14.063 -1.780 6.719 1.00 0.00 O ATOM 0 H ASP A 42 11.119 -5.056 5.209 1.00 0.00 H new ATOM 0 HA ASP A 42 13.049 -4.329 7.198 1.00 0.00 H new ATOM 0 HB2 ASP A 42 12.760 -3.306 4.915 1.00 0.00 H new ATOM 0 HB3 ASP A 42 11.196 -2.686 5.406 1.00 0.00 H new ATOM 730 N TRP A 43 9.891 -3.878 7.915 1.00 0.00 N ATOM 731 CA TRP A 43 8.910 -3.615 8.976 1.00 0.00 C ATOM 732 C TRP A 43 7.660 -4.492 8.802 1.00 0.00 C ATOM 733 O TRP A 43 7.309 -4.846 7.675 1.00 0.00 O ATOM 734 CB TRP A 43 8.547 -2.123 8.932 1.00 0.00 C ATOM 735 CG TRP A 43 7.412 -1.675 9.799 1.00 0.00 C ATOM 736 CD1 TRP A 43 7.515 -1.135 11.034 1.00 0.00 C ATOM 737 CD2 TRP A 43 5.989 -1.664 9.476 1.00 0.00 C ATOM 738 NE1 TRP A 43 6.261 -0.765 11.484 1.00 0.00 N ATOM 739 CE2 TRP A 43 5.288 -1.026 10.540 1.00 0.00 C ATOM 740 CE3 TRP A 43 5.224 -2.125 8.383 1.00 0.00 C ATOM 741 CZ2 TRP A 43 3.909 -0.785 10.486 1.00 0.00 C ATOM 742 CZ3 TRP A 43 3.837 -1.884 8.321 1.00 0.00 C ATOM 743 CH2 TRP A 43 3.180 -1.212 9.365 1.00 0.00 C ATOM 0 H TRP A 43 9.466 -4.271 7.075 1.00 0.00 H new ATOM 0 HA TRP A 43 9.339 -3.864 9.947 1.00 0.00 H new ATOM 0 HB2 TRP A 43 9.432 -1.550 9.210 1.00 0.00 H new ATOM 0 HB3 TRP A 43 8.309 -1.862 7.901 1.00 0.00 H new ATOM 0 HD1 TRP A 43 8.436 -1.011 11.585 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.078 -0.351 12.398 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.707 -2.669 7.585 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.412 -0.276 11.298 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.274 -2.219 7.463 1.00 0.00 H new ATOM 0 HH2 TRP A 43 2.118 -1.025 9.305 1.00 0.00 H new ATOM 754 N THR A 44 6.947 -4.810 9.888 1.00 0.00 N ATOM 755 CA THR A 44 5.592 -5.385 9.829 1.00 0.00 C ATOM 756 C THR A 44 4.631 -4.693 10.793 1.00 0.00 C ATOM 757 O THR A 44 5.031 -4.179 11.842 1.00 0.00 O ATOM 758 CB THR A 44 5.556 -6.900 10.073 1.00 0.00 C ATOM 759 OG1 THR A 44 5.865 -7.250 11.406 1.00 0.00 O ATOM 760 CG2 THR A 44 6.491 -7.680 9.164 1.00 0.00 C ATOM 0 H THR A 44 7.292 -4.676 10.838 1.00 0.00 H new ATOM 0 HA THR A 44 5.263 -5.208 8.805 1.00 0.00 H new ATOM 0 HB THR A 44 4.525 -7.172 9.849 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.139 -8.190 11.442 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.415 -8.744 9.390 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.213 -7.510 8.124 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.516 -7.347 9.325 1.00 0.00 H new ATOM 768 N GLY A 45 3.347 -4.703 10.448 1.00 0.00 N ATOM 769 CA GLY A 45 2.305 -4.013 11.212 1.00 0.00 C ATOM 770 C GLY A 45 0.923 -4.100 10.574 1.00 0.00 C ATOM 771 O GLY A 45 0.603 -5.085 9.918 1.00 0.00 O ATOM 0 H GLY A 45 2.995 -5.193 9.625 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.260 -4.437 12.215 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.580 -2.964 11.321 1.00 0.00 H new ATOM 775 N ARG A 46 0.097 -3.077 10.785 1.00 0.00 N ATOM 776 CA ARG A 46 -1.300 -2.979 10.344 1.00 0.00 C ATOM 777 C ARG A 46 -1.426 -2.195 9.043 1.00 0.00 C ATOM 778 O ARG A 46 -0.705 -1.219 8.823 1.00 0.00 O ATOM 779 CB ARG A 46 -2.171 -2.302 11.419 1.00 0.00 C ATOM 780 CG ARG A 46 -1.946 -2.821 12.848 1.00 0.00 C ATOM 781 CD ARG A 46 -3.009 -2.304 13.829 1.00 0.00 C ATOM 782 NE ARG A 46 -3.078 -0.825 13.886 1.00 0.00 N ATOM 783 CZ ARG A 46 -3.275 -0.069 14.952 1.00 0.00 C ATOM 784 NH1 ARG A 46 -3.427 1.217 14.827 1.00 0.00 N ATOM 785 NH2 ARG A 46 -3.347 -0.561 16.158 1.00 0.00 N ATOM 0 H ARG A 46 0.397 -2.247 11.296 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.649 -3.998 10.178 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.977 -1.229 11.402 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.220 -2.441 11.158 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -1.959 -3.911 12.843 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.958 -2.516 13.192 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.984 -2.696 13.539 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -2.794 -2.690 14.825 1.00 0.00 H new ATOM 0 HE ARG A 46 -2.960 -0.333 13.000 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -3.394 1.647 13.903 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -3.579 1.795 15.653 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -3.250 -1.566 16.306 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -3.500 0.059 16.953 1.00 0.00 H new ATOM 799 N LEU A 47 -2.417 -2.567 8.239 1.00 0.00 N ATOM 800 CA LEU A 47 -2.939 -1.763 7.137 1.00 0.00 C ATOM 801 C LEU A 47 -4.108 -0.903 7.636 1.00 0.00 C ATOM 802 O LEU A 47 -5.037 -1.434 8.246 1.00 0.00 O ATOM 803 CB LEU A 47 -3.431 -2.715 6.036 1.00 0.00 C ATOM 804 CG LEU A 47 -3.994 -2.017 4.784 1.00 0.00 C ATOM 805 CD1 LEU A 47 -2.879 -1.467 3.895 1.00 0.00 C ATOM 806 CD2 LEU A 47 -4.827 -3.020 3.997 1.00 0.00 C ATOM 0 H LEU A 47 -2.894 -3.463 8.339 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.160 -1.108 6.747 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.604 -3.359 5.735 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.203 -3.362 6.453 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.608 -1.175 5.104 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.316 -0.982 3.022 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.290 -0.742 4.457 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.235 -2.285 3.571 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.232 -2.538 3.107 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.200 -3.861 3.701 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.646 -3.380 4.619 1.00 0.00 H new ATOM 818 N ARG A 48 -4.124 0.380 7.270 1.00 0.00 N ATOM 819 CA ARG A 48 -5.311 1.245 7.291 1.00 0.00 C ATOM 820 C ARG A 48 -5.468 1.903 5.920 1.00 0.00 C ATOM 821 O ARG A 48 -4.597 2.648 5.483 1.00 0.00 O ATOM 822 CB ARG A 48 -5.181 2.285 8.427 1.00 0.00 C ATOM 823 CG ARG A 48 -6.456 3.135 8.579 1.00 0.00 C ATOM 824 CD ARG A 48 -6.277 4.386 9.450 1.00 0.00 C ATOM 825 NE ARG A 48 -5.863 4.081 10.832 1.00 0.00 N ATOM 826 CZ ARG A 48 -6.280 4.679 11.935 1.00 0.00 C ATOM 827 NH1 ARG A 48 -5.884 4.215 13.081 1.00 0.00 N ATOM 828 NH2 ARG A 48 -7.069 5.717 11.945 1.00 0.00 N ATOM 0 H ARG A 48 -3.288 0.863 6.941 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.209 0.660 7.491 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -4.973 1.772 9.366 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -4.332 2.938 8.225 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -6.796 3.440 7.589 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -7.243 2.516 9.009 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.533 5.037 8.991 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -7.215 4.941 9.473 1.00 0.00 H new ATOM 0 HE ARG A 48 -5.183 3.330 10.949 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.264 3.406 13.117 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -6.193 4.660 13.945 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -7.401 6.114 11.066 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -7.354 6.132 12.832 1.00 0.00 H new ATOM 842 N ILE A 49 -6.585 1.654 5.250 1.00 0.00 N ATOM 843 CA ILE A 49 -7.024 2.409 4.075 1.00 0.00 C ATOM 844 C ILE A 49 -8.113 3.377 4.518 1.00 0.00 C ATOM 845 O ILE A 49 -9.065 3.012 5.214 1.00 0.00 O ATOM 846 CB ILE A 49 -7.481 1.515 2.907 1.00 0.00 C ATOM 847 CG1 ILE A 49 -6.402 0.459 2.589 1.00 0.00 C ATOM 848 CG2 ILE A 49 -7.772 2.401 1.680 1.00 0.00 C ATOM 849 CD1 ILE A 49 -6.776 -0.457 1.426 1.00 0.00 C ATOM 0 H ILE A 49 -7.228 0.906 5.511 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.173 2.960 3.674 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.392 0.984 3.182 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.465 0.966 2.356 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -6.224 -0.147 3.477 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -8.096 1.776 0.848 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -8.558 3.115 1.925 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.868 2.940 1.398 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.974 -1.175 1.256 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -7.696 -0.990 1.664 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.925 0.140 0.526 1.00 0.00 H new ATOM 861 N THR A 50 -7.937 4.623 4.108 1.00 0.00 N ATOM 862 CA THR A 50 -8.654 5.800 4.590 1.00 0.00 C ATOM 863 C THR A 50 -8.824 6.809 3.457 1.00 0.00 C ATOM 864 O THR A 50 -8.180 6.687 2.418 1.00 0.00 O ATOM 865 CB THR A 50 -7.901 6.448 5.776 1.00 0.00 C ATOM 866 OG1 THR A 50 -6.549 6.051 5.913 1.00 0.00 O ATOM 867 CG2 THR A 50 -8.559 6.054 7.088 1.00 0.00 C ATOM 0 H THR A 50 -7.252 4.857 3.389 1.00 0.00 H new ATOM 0 HA THR A 50 -9.639 5.489 4.938 1.00 0.00 H new ATOM 0 HB THR A 50 -7.940 7.516 5.560 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.127 6.018 5.029 1.00 0.00 H new ATOM 0 HG21 THR A 50 -8.022 6.515 7.917 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.594 6.394 7.092 1.00 0.00 H new ATOM 0 HG23 THR A 50 -8.533 4.970 7.197 1.00 0.00 H new ATOM 875 N SER A 51 -9.681 7.814 3.625 1.00 0.00 N ATOM 876 CA SER A 51 -9.828 8.912 2.668 1.00 0.00 C ATOM 877 C SER A 51 -10.416 10.159 3.311 1.00 0.00 C ATOM 878 O SER A 51 -11.066 10.089 4.358 1.00 0.00 O ATOM 879 CB SER A 51 -10.707 8.450 1.498 1.00 0.00 C ATOM 880 OG SER A 51 -10.694 9.403 0.456 1.00 0.00 O ATOM 0 H SER A 51 -10.298 7.891 4.434 1.00 0.00 H new ATOM 0 HA SER A 51 -8.836 9.179 2.305 1.00 0.00 H new ATOM 0 HB2 SER A 51 -10.349 7.491 1.124 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.729 8.296 1.844 1.00 0.00 H new ATOM 0 HG SER A 51 -11.261 9.091 -0.280 1.00 0.00 H new ATOM 886 N LYS A 52 -10.216 11.310 2.666 1.00 0.00 N ATOM 887 CA LYS A 52 -11.100 12.461 2.800 1.00 0.00 C ATOM 888 C LYS A 52 -11.237 13.232 1.479 1.00 0.00 C ATOM 889 O LYS A 52 -10.255 13.690 0.893 1.00 0.00 O ATOM 890 CB LYS A 52 -10.618 13.316 3.971 1.00 0.00 C ATOM 891 CG LYS A 52 -11.684 14.277 4.508 1.00 0.00 C ATOM 892 CD LYS A 52 -13.044 13.678 4.910 1.00 0.00 C ATOM 893 CE LYS A 52 -12.915 12.621 6.015 1.00 0.00 C ATOM 894 NZ LYS A 52 -14.248 12.140 6.463 1.00 0.00 N ATOM 0 H LYS A 52 -9.431 11.467 2.034 1.00 0.00 H new ATOM 0 HA LYS A 52 -12.114 12.130 3.026 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -10.292 12.661 4.778 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -9.748 13.891 3.656 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -11.270 14.786 5.379 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.863 15.039 3.749 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -13.703 14.477 5.250 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -13.513 13.229 4.035 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -12.327 11.779 5.649 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -12.375 13.043 6.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -14.333 12.262 7.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -14.993 12.688 5.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -14.352 11.133 6.224 1.00 0.00 H new ATOM 908 N GLY A 53 -12.476 13.358 1.003 1.00 0.00 N ATOM 909 CA GLY A 53 -12.848 14.001 -0.253 1.00 0.00 C ATOM 910 C GLY A 53 -12.329 13.198 -1.438 1.00 0.00 C ATOM 911 O GLY A 53 -12.675 12.030 -1.628 1.00 0.00 O ATOM 0 H GLY A 53 -13.285 12.996 1.509 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -13.932 14.092 -0.315 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.441 15.012 -0.285 1.00 0.00 H new ATOM 915 N LYS A 54 -11.458 13.840 -2.211 1.00 0.00 N ATOM 916 CA LYS A 54 -10.795 13.292 -3.400 1.00 0.00 C ATOM 917 C LYS A 54 -9.359 12.822 -3.134 1.00 0.00 C ATOM 918 O LYS A 54 -8.612 12.568 -4.078 1.00 0.00 O ATOM 919 CB LYS A 54 -10.896 14.351 -4.501 1.00 0.00 C ATOM 920 CG LYS A 54 -12.332 14.510 -5.022 1.00 0.00 C ATOM 921 CD LYS A 54 -12.397 15.539 -6.157 1.00 0.00 C ATOM 922 CE LYS A 54 -13.852 15.721 -6.600 1.00 0.00 C ATOM 923 NZ LYS A 54 -13.971 16.717 -7.699 1.00 0.00 N ATOM 0 H LYS A 54 -11.179 14.802 -2.020 1.00 0.00 H new ATOM 0 HA LYS A 54 -11.298 12.379 -3.718 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.543 15.308 -4.116 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.240 14.078 -5.327 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -12.702 13.548 -5.377 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -12.985 14.821 -4.207 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -11.986 16.491 -5.822 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.789 15.207 -6.998 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -14.254 14.764 -6.931 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -14.454 16.043 -5.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.970 16.814 -7.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -13.610 17.637 -7.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.417 16.397 -8.519 1.00 0.00 H new ATOM 937 N THR A 55 -8.974 12.685 -1.864 1.00 0.00 N ATOM 938 CA THR A 55 -7.649 12.204 -1.458 1.00 0.00 C ATOM 939 C THR A 55 -7.784 10.987 -0.549 1.00 0.00 C ATOM 940 O THR A 55 -8.180 11.116 0.610 1.00 0.00 O ATOM 941 CB THR A 55 -6.852 13.302 -0.743 1.00 0.00 C ATOM 942 OG1 THR A 55 -6.866 14.514 -1.477 1.00 0.00 O ATOM 943 CG2 THR A 55 -5.386 12.892 -0.616 1.00 0.00 C ATOM 0 H THR A 55 -9.582 12.908 -1.076 1.00 0.00 H new ATOM 0 HA THR A 55 -7.107 11.922 -2.360 1.00 0.00 H new ATOM 0 HB THR A 55 -7.318 13.442 0.233 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.351 15.194 -0.995 1.00 0.00 H new ATOM 0 HG21 THR A 55 -4.831 13.680 -0.107 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.315 11.968 -0.042 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.965 12.735 -1.609 1.00 0.00 H new ATOM 951 N ALA A 56 -7.426 9.808 -1.062 1.00 0.00 N ATOM 952 CA ALA A 56 -7.289 8.606 -0.245 1.00 0.00 C ATOM 953 C ALA A 56 -5.913 8.562 0.431 1.00 0.00 C ATOM 954 O ALA A 56 -4.962 9.204 -0.017 1.00 0.00 O ATOM 955 CB ALA A 56 -7.597 7.350 -1.060 1.00 0.00 C ATOM 0 H ALA A 56 -7.224 9.662 -2.051 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.028 8.639 0.556 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.487 6.469 -0.427 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.619 7.402 -1.436 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.905 7.282 -1.899 1.00 0.00 H new ATOM 961 N TYR A 57 -5.815 7.789 1.505 1.00 0.00 N ATOM 962 CA TYR A 57 -4.648 7.649 2.364 1.00 0.00 C ATOM 963 C TYR A 57 -4.481 6.168 2.731 1.00 0.00 C ATOM 964 O TYR A 57 -5.308 5.618 3.463 1.00 0.00 O ATOM 965 CB TYR A 57 -4.847 8.510 3.630 1.00 0.00 C ATOM 966 CG TYR A 57 -5.187 9.978 3.406 1.00 0.00 C ATOM 967 CD1 TYR A 57 -4.201 10.856 2.917 1.00 0.00 C ATOM 968 CD2 TYR A 57 -6.474 10.475 3.716 1.00 0.00 C ATOM 969 CE1 TYR A 57 -4.489 12.225 2.748 1.00 0.00 C ATOM 970 CE2 TYR A 57 -6.769 11.839 3.533 1.00 0.00 C ATOM 971 CZ TYR A 57 -5.776 12.720 3.058 1.00 0.00 C ATOM 972 OH TYR A 57 -6.064 14.044 2.917 1.00 0.00 O ATOM 0 H TYR A 57 -6.594 7.209 1.817 1.00 0.00 H new ATOM 0 HA TYR A 57 -3.749 7.989 1.851 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -5.643 8.062 4.226 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -3.935 8.458 4.225 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -3.220 10.479 2.670 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -7.233 9.806 4.094 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -3.726 12.896 2.382 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -7.758 12.211 3.757 1.00 0.00 H new ATOM 0 HH TYR A 57 -6.996 14.205 3.174 1.00 0.00 H new ATOM 982 N ILE A 58 -3.418 5.512 2.259 1.00 0.00 N ATOM 983 CA ILE A 58 -2.991 4.207 2.785 1.00 0.00 C ATOM 984 C ILE A 58 -1.974 4.480 3.890 1.00 0.00 C ATOM 985 O ILE A 58 -0.838 4.866 3.613 1.00 0.00 O ATOM 986 CB ILE A 58 -2.439 3.265 1.690 1.00 0.00 C ATOM 987 CG1 ILE A 58 -3.439 2.942 0.555 1.00 0.00 C ATOM 988 CG2 ILE A 58 -1.999 1.935 2.332 1.00 0.00 C ATOM 989 CD1 ILE A 58 -3.432 3.978 -0.573 1.00 0.00 C ATOM 0 H ILE A 58 -2.829 5.866 1.505 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.851 3.671 3.186 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.606 3.802 1.236 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.203 1.962 0.140 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.444 2.877 0.973 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.610 1.270 1.561 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.222 2.128 3.071 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.854 1.465 2.818 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.156 3.690 -1.336 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.698 4.956 -0.171 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.438 4.026 -1.017 1.00 0.00 H new ATOM 1001 N LYS A 59 -2.388 4.308 5.146 1.00 0.00 N ATOM 1002 CA LYS A 59 -1.555 4.480 6.339 1.00 0.00 C ATOM 1003 C LYS A 59 -1.152 3.124 6.920 1.00 0.00 C ATOM 1004 O LYS A 59 -1.969 2.213 7.050 1.00 0.00 O ATOM 1005 CB LYS A 59 -2.268 5.376 7.364 1.00 0.00 C ATOM 1006 CG LYS A 59 -2.554 6.774 6.788 1.00 0.00 C ATOM 1007 CD LYS A 59 -2.981 7.764 7.878 1.00 0.00 C ATOM 1008 CE LYS A 59 -3.221 9.149 7.267 1.00 0.00 C ATOM 1009 NZ LYS A 59 -3.632 10.130 8.301 1.00 0.00 N ATOM 0 H LYS A 59 -3.345 4.036 5.369 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.631 4.986 6.059 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.204 4.908 7.669 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.652 5.469 8.259 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.662 7.149 6.286 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.338 6.703 6.034 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.890 7.411 8.365 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.210 7.826 8.646 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.312 9.495 6.776 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.992 9.082 6.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.607 11.089 7.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.598 9.914 8.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.980 10.076 9.109 1.00 0.00 H new ATOM 1023 N LEU A 60 0.119 2.997 7.272 1.00 0.00 N ATOM 1024 CA LEU A 60 0.712 1.824 7.914 1.00 0.00 C ATOM 1025 C LEU A 60 1.007 2.135 9.383 1.00 0.00 C ATOM 1026 O LEU A 60 1.640 3.145 9.689 1.00 0.00 O ATOM 1027 CB LEU A 60 1.974 1.410 7.140 1.00 0.00 C ATOM 1028 CG LEU A 60 1.741 0.294 6.109 1.00 0.00 C ATOM 1029 CD1 LEU A 60 0.661 0.606 5.070 1.00 0.00 C ATOM 1030 CD2 LEU A 60 3.046 0.051 5.359 1.00 0.00 C ATOM 0 H LEU A 60 0.799 3.740 7.112 1.00 0.00 H new ATOM 0 HA LEU A 60 0.018 0.984 7.894 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.376 2.284 6.628 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.731 1.080 7.851 1.00 0.00 H new ATOM 0 HG LEU A 60 1.401 -0.575 6.673 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.563 -0.235 4.383 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.291 0.776 5.574 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.940 1.500 4.512 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.900 -0.739 4.622 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.351 0.967 4.854 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.821 -0.249 6.065 1.00 0.00 H new ATOM 1042 N GLU A 61 0.551 1.275 10.292 1.00 0.00 N ATOM 1043 CA GLU A 61 0.574 1.523 11.741 1.00 0.00 C ATOM 1044 C GLU A 61 1.121 0.323 12.520 1.00 0.00 C ATOM 1045 O GLU A 61 0.916 -0.822 12.129 1.00 0.00 O ATOM 1046 CB GLU A 61 -0.835 1.877 12.242 1.00 0.00 C ATOM 1047 CG GLU A 61 -1.377 3.178 11.639 1.00 0.00 C ATOM 1048 CD GLU A 61 -2.701 3.585 12.303 1.00 0.00 C ATOM 1049 OE1 GLU A 61 -3.595 2.719 12.487 1.00 0.00 O ATOM 1050 OE2 GLU A 61 -2.870 4.777 12.644 1.00 0.00 O ATOM 0 H GLU A 61 0.148 0.371 10.044 1.00 0.00 H new ATOM 0 HA GLU A 61 1.245 2.364 11.917 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.516 1.060 12.001 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -0.816 1.967 13.328 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.643 3.974 11.765 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.528 3.051 10.567 1.00 0.00 H new ATOM 1057 N ASP A 62 1.820 0.548 13.629 1.00 0.00 N ATOM 1058 CA ASP A 62 2.390 -0.523 14.440 1.00 0.00 C ATOM 1059 C ASP A 62 1.290 -1.327 15.147 1.00 0.00 C ATOM 1060 O ASP A 62 0.388 -0.768 15.775 1.00 0.00 O ATOM 1061 CB ASP A 62 3.358 0.087 15.449 1.00 0.00 C ATOM 1062 CG ASP A 62 4.220 -0.990 16.110 1.00 0.00 C ATOM 1063 OD1 ASP A 62 5.402 -1.151 15.730 1.00 0.00 O ATOM 1064 OD2 ASP A 62 3.678 -1.683 16.997 1.00 0.00 O ATOM 0 H ASP A 62 2.008 1.483 13.992 1.00 0.00 H new ATOM 0 HA ASP A 62 2.928 -1.218 13.795 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.999 0.813 14.949 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.799 0.628 16.212 1.00 0.00 H new ATOM 1069 N LYS A 63 1.387 -2.654 15.080 1.00 0.00 N ATOM 1070 CA LYS A 63 0.397 -3.592 15.634 1.00 0.00 C ATOM 1071 C LYS A 63 0.451 -3.786 17.152 1.00 0.00 C ATOM 1072 O LYS A 63 -0.393 -4.492 17.706 1.00 0.00 O ATOM 1073 CB LYS A 63 0.454 -4.922 14.856 1.00 0.00 C ATOM 1074 CG LYS A 63 1.873 -5.514 14.829 1.00 0.00 C ATOM 1075 CD LYS A 63 1.938 -6.837 14.061 1.00 0.00 C ATOM 1076 CE LYS A 63 3.365 -7.045 13.543 1.00 0.00 C ATOM 1077 NZ LYS A 63 3.498 -8.290 12.745 1.00 0.00 N ATOM 0 H LYS A 63 2.173 -3.123 14.629 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.580 -3.130 15.489 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.229 -5.638 15.313 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.110 -4.759 13.835 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.554 -4.797 14.371 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.217 -5.673 15.851 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.649 -7.664 14.710 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.234 -6.824 13.229 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.655 -6.191 12.931 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.054 -7.081 14.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.286 -8.189 12.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.685 -9.091 13.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.616 -8.462 12.221 1.00 0.00 H new ATOM 1091 N VAL A 64 1.403 -3.143 17.824 1.00 0.00 N ATOM 1092 CA VAL A 64 1.593 -3.184 19.279 1.00 0.00 C ATOM 1093 C VAL A 64 1.554 -1.780 19.889 1.00 0.00 C ATOM 1094 O VAL A 64 0.898 -1.587 20.916 1.00 0.00 O ATOM 1095 CB VAL A 64 2.912 -3.917 19.591 1.00 0.00 C ATOM 1096 CG1 VAL A 64 3.343 -3.804 21.059 1.00 0.00 C ATOM 1097 CG2 VAL A 64 2.803 -5.410 19.252 1.00 0.00 C ATOM 0 H VAL A 64 2.092 -2.555 17.355 1.00 0.00 H new ATOM 0 HA VAL A 64 0.771 -3.734 19.737 1.00 0.00 H new ATOM 0 HB VAL A 64 3.662 -3.425 18.972 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.279 -4.343 21.206 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.485 -2.754 21.317 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.572 -4.234 21.699 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.747 -5.905 19.481 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.005 -5.860 19.842 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.580 -5.527 18.191 1.00 0.00 H new ATOM 1107 N SER A 65 2.191 -0.790 19.256 1.00 0.00 N ATOM 1108 CA SER A 65 2.243 0.592 19.763 1.00 0.00 C ATOM 1109 C SER A 65 1.139 1.494 19.197 1.00 0.00 C ATOM 1110 O SER A 65 0.824 2.529 19.785 1.00 0.00 O ATOM 1111 CB SER A 65 3.614 1.214 19.472 1.00 0.00 C ATOM 1112 OG SER A 65 4.642 0.504 20.147 1.00 0.00 O ATOM 0 H SER A 65 2.688 -0.921 18.375 1.00 0.00 H new ATOM 0 HA SER A 65 2.077 0.526 20.838 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.803 1.204 18.399 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.619 2.258 19.787 1.00 0.00 H new ATOM 0 HG SER A 65 5.509 0.915 19.947 1.00 0.00 H new ATOM 1118 N GLY A 66 0.555 1.123 18.051 1.00 0.00 N ATOM 1119 CA GLY A 66 -0.476 1.901 17.348 1.00 0.00 C ATOM 1120 C GLY A 66 0.066 3.136 16.614 1.00 0.00 C ATOM 1121 O GLY A 66 -0.710 3.982 16.172 1.00 0.00 O ATOM 0 H GLY A 66 0.791 0.253 17.574 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.977 1.254 16.628 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.230 2.220 18.068 1.00 0.00 H new ATOM 1125 N GLU A 67 1.391 3.262 16.510 1.00 0.00 N ATOM 1126 CA GLU A 67 2.090 4.435 15.983 1.00 0.00 C ATOM 1127 C GLU A 67 2.251 4.387 14.454 1.00 0.00 C ATOM 1128 O GLU A 67 2.368 3.310 13.871 1.00 0.00 O ATOM 1129 CB GLU A 67 3.423 4.609 16.730 1.00 0.00 C ATOM 1130 CG GLU A 67 4.507 3.579 16.380 1.00 0.00 C ATOM 1131 CD GLU A 67 5.800 3.860 17.172 1.00 0.00 C ATOM 1132 OE1 GLU A 67 6.663 4.628 16.682 1.00 0.00 O ATOM 1133 OE2 GLU A 67 5.962 3.313 18.289 1.00 0.00 O ATOM 0 H GLU A 67 2.030 2.522 16.802 1.00 0.00 H new ATOM 0 HA GLU A 67 1.482 5.321 16.166 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.811 5.606 16.521 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.230 4.560 17.802 1.00 0.00 H new ATOM 0 HG2 GLU A 67 4.148 2.575 16.605 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.715 3.611 15.311 1.00 0.00 H new ATOM 1140 N LEU A 68 2.266 5.546 13.792 1.00 0.00 N ATOM 1141 CA LEU A 68 2.371 5.640 12.330 1.00 0.00 C ATOM 1142 C LEU A 68 3.791 5.287 11.844 1.00 0.00 C ATOM 1143 O LEU A 68 4.769 5.924 12.243 1.00 0.00 O ATOM 1144 CB LEU A 68 1.940 7.056 11.890 1.00 0.00 C ATOM 1145 CG LEU A 68 1.818 7.245 10.364 1.00 0.00 C ATOM 1146 CD1 LEU A 68 0.595 6.529 9.790 1.00 0.00 C ATOM 1147 CD2 LEU A 68 1.673 8.731 10.035 1.00 0.00 C ATOM 0 H LEU A 68 2.205 6.452 14.256 1.00 0.00 H new ATOM 0 HA LEU A 68 1.705 4.911 11.868 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.979 7.288 12.350 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.661 7.777 12.276 1.00 0.00 H new ATOM 0 HG LEU A 68 2.721 6.823 9.923 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.551 6.691 8.713 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.670 5.461 9.994 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -0.309 6.924 10.253 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.587 8.858 8.956 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.779 9.125 10.519 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.549 9.271 10.395 1.00 0.00 H new ATOM 1159 N PHE A 69 3.898 4.305 10.945 1.00 0.00 N ATOM 1160 CA PHE A 69 5.134 3.943 10.241 1.00 0.00 C ATOM 1161 C PHE A 69 5.308 4.772 8.960 1.00 0.00 C ATOM 1162 O PHE A 69 6.335 5.430 8.779 1.00 0.00 O ATOM 1163 CB PHE A 69 5.129 2.435 9.938 1.00 0.00 C ATOM 1164 CG PHE A 69 6.207 1.985 8.963 1.00 0.00 C ATOM 1165 CD1 PHE A 69 7.552 1.922 9.373 1.00 0.00 C ATOM 1166 CD2 PHE A 69 5.872 1.663 7.632 1.00 0.00 C ATOM 1167 CE1 PHE A 69 8.552 1.531 8.463 1.00 0.00 C ATOM 1168 CE2 PHE A 69 6.875 1.297 6.718 1.00 0.00 C ATOM 1169 CZ PHE A 69 8.213 1.219 7.135 1.00 0.00 C ATOM 0 H PHE A 69 3.105 3.722 10.678 1.00 0.00 H new ATOM 0 HA PHE A 69 5.986 4.169 10.883 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.251 1.889 10.873 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.154 2.161 9.534 1.00 0.00 H new ATOM 0 HD1 PHE A 69 7.818 2.174 10.389 1.00 0.00 H new ATOM 0 HD2 PHE A 69 4.841 1.698 7.313 1.00 0.00 H new ATOM 0 HE1 PHE A 69 9.581 1.471 8.785 1.00 0.00 H new ATOM 0 HE2 PHE A 69 6.616 1.075 5.693 1.00 0.00 H new ATOM 0 HZ PHE A 69 8.981 0.920 6.437 1.00 0.00 H new ATOM 1179 N ALA A 70 4.298 4.754 8.083 1.00 0.00 N ATOM 1180 CA ALA A 70 4.303 5.444 6.794 1.00 0.00 C ATOM 1181 C ALA A 70 2.876 5.761 6.313 1.00 0.00 C ATOM 1182 O ALA A 70 1.901 5.179 6.790 1.00 0.00 O ATOM 1183 CB ALA A 70 5.048 4.568 5.775 1.00 0.00 C ATOM 0 H ALA A 70 3.432 4.244 8.258 1.00 0.00 H new ATOM 0 HA ALA A 70 4.813 6.401 6.902 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.061 5.068 4.806 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.071 4.406 6.114 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.541 3.608 5.681 1.00 0.00 H new ATOM 1189 N GLN A 71 2.753 6.674 5.347 1.00 0.00 N ATOM 1190 CA GLN A 71 1.475 7.099 4.762 1.00 0.00 C ATOM 1191 C GLN A 71 1.621 7.431 3.268 1.00 0.00 C ATOM 1192 O GLN A 71 2.516 8.178 2.881 1.00 0.00 O ATOM 1193 CB GLN A 71 0.906 8.298 5.548 1.00 0.00 C ATOM 1194 CG GLN A 71 1.945 9.400 5.821 1.00 0.00 C ATOM 1195 CD GLN A 71 1.336 10.785 6.004 1.00 0.00 C ATOM 1196 OE1 GLN A 71 0.278 10.976 6.592 1.00 0.00 O ATOM 1197 NE2 GLN A 71 1.996 11.803 5.494 1.00 0.00 N ATOM 0 H GLN A 71 3.557 7.151 4.939 1.00 0.00 H new ATOM 0 HA GLN A 71 0.772 6.269 4.837 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.072 8.725 4.991 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.506 7.943 6.498 1.00 0.00 H new ATOM 0 HG2 GLN A 71 2.510 9.140 6.716 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.654 9.431 4.994 1.00 0.00 H new ATOM 0 HE21 GLN A 71 2.877 11.646 5.004 1.00 0.00 H new ATOM 0 HE22 GLN A 71 1.627 12.749 5.589 1.00 0.00 H new ATOM 1206 N ALA A 72 0.734 6.901 2.428 1.00 0.00 N ATOM 1207 CA ALA A 72 0.698 7.120 0.982 1.00 0.00 C ATOM 1208 C ALA A 72 -0.612 7.819 0.565 1.00 0.00 C ATOM 1209 O ALA A 72 -1.664 7.171 0.551 1.00 0.00 O ATOM 1210 CB ALA A 72 0.896 5.770 0.278 1.00 0.00 C ATOM 0 H ALA A 72 -0.010 6.282 2.749 1.00 0.00 H new ATOM 0 HA ALA A 72 1.505 7.788 0.681 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.872 5.916 -0.802 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.859 5.347 0.566 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.098 5.087 0.570 1.00 0.00 H new ATOM 1216 N PRO A 73 -0.581 9.129 0.242 1.00 0.00 N ATOM 1217 CA PRO A 73 -1.732 9.842 -0.302 1.00 0.00 C ATOM 1218 C PRO A 73 -1.935 9.519 -1.792 1.00 0.00 C ATOM 1219 O PRO A 73 -0.974 9.354 -2.546 1.00 0.00 O ATOM 1220 CB PRO A 73 -1.446 11.324 -0.055 1.00 0.00 C ATOM 1221 CG PRO A 73 0.077 11.397 -0.156 1.00 0.00 C ATOM 1222 CD PRO A 73 0.542 10.048 0.400 1.00 0.00 C ATOM 0 HA PRO A 73 -2.664 9.543 0.178 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.931 11.959 -0.797 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.802 11.647 0.923 1.00 0.00 H new ATOM 0 HG2 PRO A 73 0.404 11.540 -1.186 1.00 0.00 H new ATOM 0 HG3 PRO A 73 0.477 12.229 0.424 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.418 9.687 -0.139 1.00 0.00 H new ATOM 0 HD3 PRO A 73 0.827 10.137 1.448 1.00 0.00 H new ATOM 1230 N VAL A 74 -3.195 9.446 -2.226 1.00 0.00 N ATOM 1231 CA VAL A 74 -3.617 9.049 -3.582 1.00 0.00 C ATOM 1232 C VAL A 74 -4.709 10.007 -4.065 1.00 0.00 C ATOM 1233 O VAL A 74 -5.671 10.245 -3.338 1.00 0.00 O ATOM 1234 CB VAL A 74 -4.157 7.599 -3.588 1.00 0.00 C ATOM 1235 CG1 VAL A 74 -4.369 7.081 -5.015 1.00 0.00 C ATOM 1236 CG2 VAL A 74 -3.257 6.597 -2.855 1.00 0.00 C ATOM 0 H VAL A 74 -3.986 9.670 -1.622 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.756 9.096 -4.248 1.00 0.00 H new ATOM 0 HB VAL A 74 -5.105 7.664 -3.054 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.749 6.060 -4.979 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.088 7.718 -5.530 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.421 7.097 -5.552 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.703 5.604 -2.903 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.275 6.577 -3.327 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.152 6.897 -1.812 1.00 0.00 H new ATOM 1246 N GLU A 75 -4.596 10.546 -5.283 1.00 0.00 N ATOM 1247 CA GLU A 75 -5.593 11.491 -5.838 1.00 0.00 C ATOM 1248 C GLU A 75 -6.645 10.811 -6.738 1.00 0.00 C ATOM 1249 O GLU A 75 -7.740 11.339 -6.934 1.00 0.00 O ATOM 1250 CB GLU A 75 -4.875 12.614 -6.603 1.00 0.00 C ATOM 1251 CG GLU A 75 -4.024 13.498 -5.682 1.00 0.00 C ATOM 1252 CD GLU A 75 -3.393 14.664 -6.469 1.00 0.00 C ATOM 1253 OE1 GLU A 75 -4.018 15.750 -6.562 1.00 0.00 O ATOM 1254 OE2 GLU A 75 -2.264 14.507 -6.994 1.00 0.00 O ATOM 0 H GLU A 75 -3.820 10.347 -5.914 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.141 11.907 -4.993 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -4.238 12.177 -7.372 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.614 13.232 -7.114 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.642 13.891 -4.875 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.239 12.899 -5.220 1.00 0.00 H new ATOM 1261 N GLN A 76 -6.310 9.640 -7.287 1.00 0.00 N ATOM 1262 CA GLN A 76 -7.183 8.751 -8.061 1.00 0.00 C ATOM 1263 C GLN A 76 -6.562 7.348 -8.156 1.00 0.00 C ATOM 1264 O GLN A 76 -5.335 7.220 -8.176 1.00 0.00 O ATOM 1265 CB GLN A 76 -7.479 9.326 -9.467 1.00 0.00 C ATOM 1266 CG GLN A 76 -6.336 9.308 -10.500 1.00 0.00 C ATOM 1267 CD GLN A 76 -5.108 10.134 -10.116 1.00 0.00 C ATOM 1268 OE1 GLN A 76 -4.994 11.313 -10.421 1.00 0.00 O ATOM 1269 NE2 GLN A 76 -4.139 9.547 -9.445 1.00 0.00 N ATOM 0 H GLN A 76 -5.366 9.264 -7.198 1.00 0.00 H new ATOM 0 HA GLN A 76 -8.137 8.674 -7.539 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -8.319 8.773 -9.886 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.806 10.359 -9.346 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -6.026 8.275 -10.659 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -6.720 9.676 -11.452 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -4.222 8.564 -9.185 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -3.306 10.075 -9.186 1.00 0.00 H new ATOM 1278 N TYR A 77 -7.392 6.309 -8.264 1.00 0.00 N ATOM 1279 CA TYR A 77 -6.972 4.914 -8.414 1.00 0.00 C ATOM 1280 C TYR A 77 -7.561 4.288 -9.698 1.00 0.00 C ATOM 1281 O TYR A 77 -8.782 4.354 -9.880 1.00 0.00 O ATOM 1282 CB TYR A 77 -7.402 4.124 -7.173 1.00 0.00 C ATOM 1283 CG TYR A 77 -6.907 2.696 -7.156 1.00 0.00 C ATOM 1284 CD1 TYR A 77 -7.808 1.627 -7.335 1.00 0.00 C ATOM 1285 CD2 TYR A 77 -5.535 2.439 -6.982 1.00 0.00 C ATOM 1286 CE1 TYR A 77 -7.339 0.300 -7.339 1.00 0.00 C ATOM 1287 CE2 TYR A 77 -5.062 1.115 -7.017 1.00 0.00 C ATOM 1288 CZ TYR A 77 -5.959 0.041 -7.188 1.00 0.00 C ATOM 1289 OH TYR A 77 -5.488 -1.235 -7.218 1.00 0.00 O ATOM 0 H TYR A 77 -8.406 6.418 -8.249 1.00 0.00 H new ATOM 0 HA TYR A 77 -5.887 4.877 -8.507 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.036 4.636 -6.283 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.490 4.122 -7.114 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.861 1.827 -7.469 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -4.847 3.256 -6.822 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -8.033 -0.519 -7.457 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -4.005 0.920 -6.912 1.00 0.00 H new ATOM 0 HH TYR A 77 -4.515 -1.227 -7.100 1.00 0.00 H new ATOM 1299 N PRO A 78 -6.748 3.660 -10.573 1.00 0.00 N ATOM 1300 CA PRO A 78 -5.282 3.591 -10.530 1.00 0.00 C ATOM 1301 C PRO A 78 -4.591 4.961 -10.668 1.00 0.00 C ATOM 1302 O PRO A 78 -5.102 5.867 -11.330 1.00 0.00 O ATOM 1303 CB PRO A 78 -4.872 2.648 -11.670 1.00 0.00 C ATOM 1304 CG PRO A 78 -6.127 1.811 -11.912 1.00 0.00 C ATOM 1305 CD PRO A 78 -7.240 2.822 -11.656 1.00 0.00 C ATOM 0 HA PRO A 78 -4.962 3.226 -9.554 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -4.581 3.201 -12.563 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -4.023 2.025 -11.389 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -6.163 1.414 -12.926 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -6.186 0.960 -11.234 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -7.449 3.413 -12.548 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -8.169 2.324 -11.378 1.00 0.00 H new ATOM 1313 N GLY A 79 -3.419 5.101 -10.045 1.00 0.00 N ATOM 1314 CA GLY A 79 -2.573 6.302 -10.069 1.00 0.00 C ATOM 1315 C GLY A 79 -1.095 5.985 -9.810 1.00 0.00 C ATOM 1316 O GLY A 79 -0.687 4.823 -9.847 1.00 0.00 O ATOM 0 H GLY A 79 -3.014 4.350 -9.486 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.672 6.793 -11.037 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -2.927 7.007 -9.317 1.00 0.00 H new ATOM 1320 N ILE A 80 -0.280 7.008 -9.524 1.00 0.00 N ATOM 1321 CA ILE A 80 1.167 6.831 -9.272 1.00 0.00 C ATOM 1322 C ILE A 80 1.461 6.184 -7.910 1.00 0.00 C ATOM 1323 O ILE A 80 2.379 5.376 -7.788 1.00 0.00 O ATOM 1324 CB ILE A 80 1.935 8.166 -9.450 1.00 0.00 C ATOM 1325 CG1 ILE A 80 3.450 7.934 -9.241 1.00 0.00 C ATOM 1326 CG2 ILE A 80 1.410 9.278 -8.518 1.00 0.00 C ATOM 1327 CD1 ILE A 80 4.357 9.098 -9.648 1.00 0.00 C ATOM 0 H ILE A 80 -0.595 7.976 -9.460 1.00 0.00 H new ATOM 0 HA ILE A 80 1.531 6.131 -10.024 1.00 0.00 H new ATOM 0 HB ILE A 80 1.763 8.513 -10.469 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.624 7.712 -8.188 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.746 7.051 -9.807 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.982 10.191 -8.683 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.358 9.465 -8.732 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.519 8.964 -7.480 1.00 0.00 H new ATOM 0 HD11 ILE A 80 5.397 8.831 -9.461 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.222 9.311 -10.709 1.00 0.00 H new ATOM 0 HD13 ILE A 80 4.098 9.982 -9.065 1.00 0.00 H new ATOM 1339 N ALA A 81 0.683 6.515 -6.878 1.00 0.00 N ATOM 1340 CA ALA A 81 0.992 6.189 -5.485 1.00 0.00 C ATOM 1341 C ALA A 81 0.592 4.764 -5.069 1.00 0.00 C ATOM 1342 O ALA A 81 0.716 4.431 -3.893 1.00 0.00 O ATOM 1343 CB ALA A 81 0.387 7.283 -4.600 1.00 0.00 C ATOM 0 H ALA A 81 -0.193 7.025 -6.989 1.00 0.00 H new ATOM 0 HA ALA A 81 2.074 6.176 -5.356 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.602 7.065 -3.554 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.820 8.247 -4.866 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.692 7.316 -4.749 1.00 0.00 H new ATOM 1349 N VAL A 82 0.135 3.930 -6.010 1.00 0.00 N ATOM 1350 CA VAL A 82 -0.314 2.546 -5.785 1.00 0.00 C ATOM 1351 C VAL A 82 -0.065 1.694 -7.042 1.00 0.00 C ATOM 1352 O VAL A 82 -0.417 2.098 -8.149 1.00 0.00 O ATOM 1353 CB VAL A 82 -1.813 2.489 -5.428 1.00 0.00 C ATOM 1354 CG1 VAL A 82 -2.188 1.076 -4.958 1.00 0.00 C ATOM 1355 CG2 VAL A 82 -2.275 3.468 -4.341 1.00 0.00 C ATOM 0 H VAL A 82 0.064 4.209 -6.989 1.00 0.00 H new ATOM 0 HA VAL A 82 0.260 2.149 -4.947 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.316 2.778 -6.351 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.248 1.045 -4.708 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.982 0.361 -5.755 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.600 0.817 -4.077 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.344 3.343 -4.169 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.733 3.268 -3.417 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.077 4.490 -4.664 1.00 0.00 H new ATOM 1365 N GLU A 83 0.515 0.505 -6.876 1.00 0.00 N ATOM 1366 CA GLU A 83 0.924 -0.424 -7.944 1.00 0.00 C ATOM 1367 C GLU A 83 0.780 -1.904 -7.522 1.00 0.00 C ATOM 1368 O GLU A 83 0.721 -2.223 -6.337 1.00 0.00 O ATOM 1369 CB GLU A 83 2.385 -0.118 -8.356 1.00 0.00 C ATOM 1370 CG GLU A 83 2.439 0.668 -9.674 1.00 0.00 C ATOM 1371 CD GLU A 83 3.849 1.106 -10.106 1.00 0.00 C ATOM 1372 OE1 GLU A 83 3.982 1.748 -11.176 1.00 0.00 O ATOM 1373 OE2 GLU A 83 4.858 0.768 -9.448 1.00 0.00 O ATOM 0 H GLU A 83 0.726 0.140 -5.947 1.00 0.00 H new ATOM 0 HA GLU A 83 0.259 -0.274 -8.794 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.875 0.454 -7.568 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.938 -1.051 -8.463 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.006 0.055 -10.464 1.00 0.00 H new ATOM 0 HG3 GLU A 83 1.812 1.554 -9.578 1.00 0.00 H new ATOM 1380 N THR A 84 0.750 -2.820 -8.493 1.00 0.00 N ATOM 1381 CA THR A 84 0.672 -4.292 -8.325 1.00 0.00 C ATOM 1382 C THR A 84 1.976 -4.982 -8.749 1.00 0.00 C ATOM 1383 O THR A 84 2.797 -4.412 -9.474 1.00 0.00 O ATOM 1384 CB THR A 84 -0.480 -4.866 -9.173 1.00 0.00 C ATOM 1385 OG1 THR A 84 -0.434 -4.365 -10.496 1.00 0.00 O ATOM 1386 CG2 THR A 84 -1.847 -4.513 -8.592 1.00 0.00 C ATOM 0 H THR A 84 0.781 -2.550 -9.476 1.00 0.00 H new ATOM 0 HA THR A 84 0.498 -4.484 -7.266 1.00 0.00 H new ATOM 0 HB THR A 84 -0.349 -5.948 -9.169 1.00 0.00 H new ATOM 0 HG1 THR A 84 -1.173 -4.744 -11.015 1.00 0.00 H new ATOM 0 HG21 THR A 84 -2.630 -4.937 -9.221 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.930 -4.920 -7.584 1.00 0.00 H new ATOM 0 HG23 THR A 84 -1.958 -3.429 -8.556 1.00 0.00 H new ATOM 1394 N VAL A 85 2.162 -6.237 -8.326 1.00 0.00 N ATOM 1395 CA VAL A 85 3.161 -7.163 -8.874 1.00 0.00 C ATOM 1396 C VAL A 85 2.584 -7.930 -10.076 1.00 0.00 C ATOM 1397 O VAL A 85 1.389 -7.849 -10.374 1.00 0.00 O ATOM 1398 CB VAL A 85 3.639 -8.139 -7.788 1.00 0.00 C ATOM 1399 CG1 VAL A 85 4.233 -7.368 -6.608 1.00 0.00 C ATOM 1400 CG2 VAL A 85 2.515 -9.050 -7.298 1.00 0.00 C ATOM 0 H VAL A 85 1.608 -6.648 -7.574 1.00 0.00 H new ATOM 0 HA VAL A 85 4.018 -6.584 -9.218 1.00 0.00 H new ATOM 0 HB VAL A 85 4.406 -8.771 -8.237 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.568 -8.071 -5.845 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.080 -6.774 -6.951 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.475 -6.709 -6.186 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.900 -9.722 -6.531 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.712 -8.444 -6.879 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.130 -9.635 -8.134 1.00 0.00 H new ATOM 1410 N THR A 86 3.415 -8.729 -10.740 1.00 0.00 N ATOM 1411 CA THR A 86 3.051 -9.549 -11.903 1.00 0.00 C ATOM 1412 C THR A 86 2.708 -10.989 -11.523 1.00 0.00 C ATOM 1413 O THR A 86 1.813 -11.582 -12.127 1.00 0.00 O ATOM 1414 CB THR A 86 4.190 -9.557 -12.935 1.00 0.00 C ATOM 1415 OG1 THR A 86 5.344 -10.161 -12.393 1.00 0.00 O ATOM 1416 CG2 THR A 86 4.592 -8.146 -13.357 1.00 0.00 C ATOM 0 H THR A 86 4.396 -8.830 -10.478 1.00 0.00 H new ATOM 0 HA THR A 86 2.159 -9.095 -12.334 1.00 0.00 H new ATOM 0 HB THR A 86 3.814 -10.111 -13.795 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.059 -10.160 -13.063 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.400 -8.201 -14.087 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.735 -7.641 -13.802 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.929 -7.587 -12.484 1.00 0.00 H new ATOM 1424 N ASP A 87 3.408 -11.560 -10.532 1.00 0.00 N ATOM 1425 CA ASP A 87 3.440 -13.025 -10.357 1.00 0.00 C ATOM 1426 C ASP A 87 2.568 -13.582 -9.215 1.00 0.00 C ATOM 1427 O ASP A 87 2.099 -14.718 -9.324 1.00 0.00 O ATOM 1428 CB ASP A 87 4.895 -13.484 -10.222 1.00 0.00 C ATOM 1429 CG ASP A 87 5.038 -15.013 -10.324 1.00 0.00 C ATOM 1430 OD1 ASP A 87 5.334 -15.671 -9.298 1.00 0.00 O ATOM 1431 OD2 ASP A 87 4.880 -15.560 -11.442 1.00 0.00 O ATOM 0 H ASP A 87 3.954 -11.040 -9.845 1.00 0.00 H new ATOM 0 HA ASP A 87 2.983 -13.443 -11.254 1.00 0.00 H new ATOM 0 HB2 ASP A 87 5.496 -13.013 -11.000 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.292 -13.147 -9.264 1.00 0.00 H new ATOM 1436 N SER A 88 2.315 -12.815 -8.142 1.00 0.00 N ATOM 1437 CA SER A 88 1.532 -13.291 -6.982 1.00 0.00 C ATOM 1438 C SER A 88 0.456 -12.301 -6.523 1.00 0.00 C ATOM 1439 O SER A 88 0.722 -11.138 -6.234 1.00 0.00 O ATOM 1440 CB SER A 88 2.461 -13.677 -5.832 1.00 0.00 C ATOM 1441 OG SER A 88 1.697 -14.269 -4.794 1.00 0.00 O ATOM 0 H SER A 88 2.643 -11.854 -8.051 1.00 0.00 H new ATOM 0 HA SER A 88 0.992 -14.178 -7.314 1.00 0.00 H new ATOM 0 HB2 SER A 88 3.223 -14.374 -6.182 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.983 -12.796 -5.459 1.00 0.00 H new ATOM 0 HG SER A 88 2.289 -14.520 -4.054 1.00 0.00 H new ATOM 1447 N SER A 89 -0.784 -12.777 -6.414 1.00 0.00 N ATOM 1448 CA SER A 89 -2.024 -11.993 -6.276 1.00 0.00 C ATOM 1449 C SER A 89 -2.287 -11.373 -4.885 1.00 0.00 C ATOM 1450 O SER A 89 -3.429 -11.069 -4.536 1.00 0.00 O ATOM 1451 CB SER A 89 -3.181 -12.873 -6.775 1.00 0.00 C ATOM 1452 OG SER A 89 -3.088 -14.194 -6.241 1.00 0.00 O ATOM 0 H SER A 89 -0.967 -13.780 -6.419 1.00 0.00 H new ATOM 0 HA SER A 89 -1.920 -11.098 -6.889 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.133 -12.427 -6.486 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.166 -12.916 -7.864 1.00 0.00 H new ATOM 0 HG SER A 89 -3.836 -14.734 -6.572 1.00 0.00 H new ATOM 1458 N ARG A 90 -1.235 -11.189 -4.074 1.00 0.00 N ATOM 1459 CA ARG A 90 -1.285 -10.746 -2.663 1.00 0.00 C ATOM 1460 C ARG A 90 -0.198 -9.727 -2.271 1.00 0.00 C ATOM 1461 O ARG A 90 0.189 -9.652 -1.105 1.00 0.00 O ATOM 1462 CB ARG A 90 -1.398 -11.978 -1.745 1.00 0.00 C ATOM 1463 CG ARG A 90 -0.186 -12.919 -1.803 1.00 0.00 C ATOM 1464 CD ARG A 90 -0.592 -14.392 -1.680 1.00 0.00 C ATOM 1465 NE ARG A 90 -1.307 -14.836 -2.897 1.00 0.00 N ATOM 1466 CZ ARG A 90 -1.650 -16.067 -3.224 1.00 0.00 C ATOM 1467 NH1 ARG A 90 -2.254 -16.291 -4.354 1.00 0.00 N ATOM 1468 NH2 ARG A 90 -1.416 -17.084 -2.445 1.00 0.00 N ATOM 0 H ARG A 90 -0.280 -11.351 -4.393 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.188 -10.152 -2.523 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -1.533 -11.640 -0.717 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -2.293 -12.539 -2.016 1.00 0.00 H new ATOM 0 HG2 ARG A 90 0.345 -12.767 -2.743 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.507 -12.666 -1.001 1.00 0.00 H new ATOM 0 HD2 ARG A 90 0.294 -15.008 -1.527 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -1.230 -14.528 -0.807 1.00 0.00 H new ATOM 0 HE ARG A 90 -1.565 -14.105 -3.560 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -2.461 -15.516 -4.984 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -2.521 -17.242 -4.610 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -0.953 -16.943 -1.547 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -1.696 -18.022 -2.732 1.00 0.00 H new ATOM 1482 N TYR A 91 0.295 -8.944 -3.240 1.00 0.00 N ATOM 1483 CA TYR A 91 1.387 -7.983 -3.066 1.00 0.00 C ATOM 1484 C TYR A 91 1.145 -6.694 -3.870 1.00 0.00 C ATOM 1485 O TYR A 91 0.671 -6.743 -5.009 1.00 0.00 O ATOM 1486 CB TYR A 91 2.700 -8.635 -3.515 1.00 0.00 C ATOM 1487 CG TYR A 91 3.152 -9.812 -2.674 1.00 0.00 C ATOM 1488 CD1 TYR A 91 2.769 -11.120 -3.028 1.00 0.00 C ATOM 1489 CD2 TYR A 91 3.959 -9.599 -1.542 1.00 0.00 C ATOM 1490 CE1 TYR A 91 3.185 -12.215 -2.247 1.00 0.00 C ATOM 1491 CE2 TYR A 91 4.361 -10.689 -0.750 1.00 0.00 C ATOM 1492 CZ TYR A 91 3.979 -12.001 -1.099 1.00 0.00 C ATOM 1493 OH TYR A 91 4.380 -13.050 -0.329 1.00 0.00 O ATOM 0 H TYR A 91 -0.067 -8.964 -4.193 1.00 0.00 H new ATOM 0 HA TYR A 91 1.439 -7.709 -2.012 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.589 -8.967 -4.547 1.00 0.00 H new ATOM 0 HB3 TYR A 91 3.485 -7.879 -3.506 1.00 0.00 H new ATOM 0 HD1 TYR A 91 2.155 -11.284 -3.901 1.00 0.00 H new ATOM 0 HD2 TYR A 91 4.270 -8.598 -1.281 1.00 0.00 H new ATOM 0 HE1 TYR A 91 2.897 -13.218 -2.526 1.00 0.00 H new ATOM 0 HE2 TYR A 91 4.965 -10.521 0.129 1.00 0.00 H new ATOM 0 HH TYR A 91 4.920 -12.719 0.419 1.00 0.00 H new ATOM 1503 N PHE A 92 1.512 -5.546 -3.294 1.00 0.00 N ATOM 1504 CA PHE A 92 1.359 -4.215 -3.894 1.00 0.00 C ATOM 1505 C PHE A 92 2.580 -3.338 -3.607 1.00 0.00 C ATOM 1506 O PHE A 92 3.350 -3.616 -2.694 1.00 0.00 O ATOM 1507 CB PHE A 92 0.098 -3.528 -3.346 1.00 0.00 C ATOM 1508 CG PHE A 92 -1.182 -4.298 -3.577 1.00 0.00 C ATOM 1509 CD1 PHE A 92 -1.853 -4.221 -4.810 1.00 0.00 C ATOM 1510 CD2 PHE A 92 -1.693 -5.112 -2.553 1.00 0.00 C ATOM 1511 CE1 PHE A 92 -3.025 -4.972 -5.019 1.00 0.00 C ATOM 1512 CE2 PHE A 92 -2.876 -5.838 -2.752 1.00 0.00 C ATOM 1513 CZ PHE A 92 -3.540 -5.779 -3.989 1.00 0.00 C ATOM 0 H PHE A 92 1.938 -5.515 -2.368 1.00 0.00 H new ATOM 0 HA PHE A 92 1.267 -4.343 -4.972 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.223 -3.367 -2.275 1.00 0.00 H new ATOM 0 HB3 PHE A 92 0.005 -2.545 -3.807 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -1.470 -3.587 -5.596 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -1.173 -5.179 -1.609 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -3.530 -4.928 -5.973 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.278 -6.444 -1.953 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.442 -6.351 -4.148 1.00 0.00 H new ATOM 1523 N VAL A 93 2.737 -2.250 -4.351 1.00 0.00 N ATOM 1524 CA VAL A 93 3.673 -1.157 -4.056 1.00 0.00 C ATOM 1525 C VAL A 93 2.877 0.118 -3.803 1.00 0.00 C ATOM 1526 O VAL A 93 1.860 0.335 -4.457 1.00 0.00 O ATOM 1527 CB VAL A 93 4.694 -0.993 -5.196 1.00 0.00 C ATOM 1528 CG1 VAL A 93 5.592 0.242 -5.060 1.00 0.00 C ATOM 1529 CG2 VAL A 93 5.583 -2.238 -5.253 1.00 0.00 C ATOM 0 H VAL A 93 2.202 -2.093 -5.205 1.00 0.00 H new ATOM 0 HA VAL A 93 4.247 -1.387 -3.159 1.00 0.00 H new ATOM 0 HB VAL A 93 4.114 -0.861 -6.109 1.00 0.00 H new ATOM 0 HG11 VAL A 93 6.282 0.284 -5.902 1.00 0.00 H new ATOM 0 HG12 VAL A 93 4.976 1.141 -5.051 1.00 0.00 H new ATOM 0 HG13 VAL A 93 6.157 0.180 -4.130 1.00 0.00 H new ATOM 0 HG21 VAL A 93 6.309 -2.130 -6.058 1.00 0.00 H new ATOM 0 HG22 VAL A 93 6.107 -2.354 -4.305 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.966 -3.118 -5.437 1.00 0.00 H new ATOM 1539 N ILE A 94 3.325 0.979 -2.886 1.00 0.00 N ATOM 1540 CA ILE A 94 2.747 2.314 -2.697 1.00 0.00 C ATOM 1541 C ILE A 94 3.829 3.388 -2.560 1.00 0.00 C ATOM 1542 O ILE A 94 4.918 3.120 -2.047 1.00 0.00 O ATOM 1543 CB ILE A 94 1.723 2.386 -1.538 1.00 0.00 C ATOM 1544 CG1 ILE A 94 2.283 2.084 -0.126 1.00 0.00 C ATOM 1545 CG2 ILE A 94 0.456 1.564 -1.819 1.00 0.00 C ATOM 1546 CD1 ILE A 94 2.454 0.605 0.252 1.00 0.00 C ATOM 0 H ILE A 94 4.098 0.772 -2.254 1.00 0.00 H new ATOM 0 HA ILE A 94 2.183 2.522 -3.607 1.00 0.00 H new ATOM 0 HB ILE A 94 1.453 3.442 -1.511 1.00 0.00 H new ATOM 0 HG12 ILE A 94 3.253 2.572 -0.034 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.623 2.547 0.607 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.228 1.649 -0.975 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -0.030 1.941 -2.719 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.726 0.518 -1.963 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.853 0.532 1.264 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.487 0.104 0.206 1.00 0.00 H new ATOM 0 HD13 ILE A 94 3.143 0.129 -0.445 1.00 0.00 H new ATOM 1558 N ARG A 95 3.522 4.616 -3.003 1.00 0.00 N ATOM 1559 CA ARG A 95 4.400 5.786 -2.811 1.00 0.00 C ATOM 1560 C ARG A 95 4.026 6.512 -1.521 1.00 0.00 C ATOM 1561 O ARG A 95 3.047 7.256 -1.494 1.00 0.00 O ATOM 1562 CB ARG A 95 4.387 6.720 -4.037 1.00 0.00 C ATOM 1563 CG ARG A 95 5.649 7.600 -4.064 1.00 0.00 C ATOM 1564 CD ARG A 95 5.560 8.740 -5.089 1.00 0.00 C ATOM 1565 NE ARG A 95 4.623 9.798 -4.653 1.00 0.00 N ATOM 1566 CZ ARG A 95 4.205 10.837 -5.353 1.00 0.00 C ATOM 1567 NH1 ARG A 95 3.348 11.670 -4.840 1.00 0.00 N ATOM 1568 NH2 ARG A 95 4.628 11.072 -6.561 1.00 0.00 N ATOM 0 H ARG A 95 2.660 4.829 -3.504 1.00 0.00 H new ATOM 0 HA ARG A 95 5.428 5.437 -2.713 1.00 0.00 H new ATOM 0 HB2 ARG A 95 4.331 6.128 -4.951 1.00 0.00 H new ATOM 0 HB3 ARG A 95 3.498 7.351 -4.011 1.00 0.00 H new ATOM 0 HG2 ARG A 95 5.813 8.022 -3.072 1.00 0.00 H new ATOM 0 HG3 ARG A 95 6.515 6.978 -4.293 1.00 0.00 H new ATOM 0 HD2 ARG A 95 6.550 9.171 -5.241 1.00 0.00 H new ATOM 0 HD3 ARG A 95 5.236 8.340 -6.050 1.00 0.00 H new ATOM 0 HE ARG A 95 4.258 9.716 -3.704 1.00 0.00 H new ATOM 0 HH11 ARG A 95 2.996 11.522 -3.894 1.00 0.00 H new ATOM 0 HH12 ARG A 95 3.027 12.471 -5.384 1.00 0.00 H new ATOM 0 HH21 ARG A 95 5.304 10.444 -6.996 1.00 0.00 H new ATOM 0 HH22 ARG A 95 4.284 11.884 -7.073 1.00 0.00 H new ATOM 1582 N ILE A 96 4.816 6.327 -0.467 1.00 0.00 N ATOM 1583 CA ILE A 96 4.640 6.996 0.834 1.00 0.00 C ATOM 1584 C ILE A 96 5.307 8.383 0.848 1.00 0.00 C ATOM 1585 O ILE A 96 6.275 8.609 0.118 1.00 0.00 O ATOM 1586 CB ILE A 96 5.032 6.083 2.022 1.00 0.00 C ATOM 1587 CG1 ILE A 96 6.532 5.712 2.103 1.00 0.00 C ATOM 1588 CG2 ILE A 96 4.192 4.796 2.019 1.00 0.00 C ATOM 1589 CD1 ILE A 96 7.353 6.668 2.973 1.00 0.00 C ATOM 0 H ILE A 96 5.616 5.695 -0.486 1.00 0.00 H new ATOM 0 HA ILE A 96 3.576 7.184 0.975 1.00 0.00 H new ATOM 0 HB ILE A 96 4.823 6.685 2.906 1.00 0.00 H new ATOM 0 HG12 ILE A 96 6.627 4.701 2.499 1.00 0.00 H new ATOM 0 HG13 ILE A 96 6.950 5.700 1.096 1.00 0.00 H new ATOM 0 HG21 ILE A 96 4.484 4.169 2.862 1.00 0.00 H new ATOM 0 HG22 ILE A 96 3.136 5.051 2.105 1.00 0.00 H new ATOM 0 HG23 ILE A 96 4.360 4.254 1.088 1.00 0.00 H new ATOM 0 HD11 ILE A 96 8.394 6.347 2.984 1.00 0.00 H new ATOM 0 HD12 ILE A 96 7.289 7.677 2.565 1.00 0.00 H new ATOM 0 HD13 ILE A 96 6.961 6.662 3.990 1.00 0.00 H new ATOM 1601 N GLN A 97 4.758 9.344 1.597 1.00 0.00 N ATOM 1602 CA GLN A 97 5.254 10.727 1.728 1.00 0.00 C ATOM 1603 C GLN A 97 5.360 11.149 3.203 1.00 0.00 C ATOM 1604 O GLN A 97 4.449 10.916 3.999 1.00 0.00 O ATOM 1605 CB GLN A 97 4.353 11.747 0.990 1.00 0.00 C ATOM 1606 CG GLN A 97 4.619 11.947 -0.514 1.00 0.00 C ATOM 1607 CD GLN A 97 3.842 11.007 -1.427 1.00 0.00 C ATOM 1608 OE1 GLN A 97 2.849 11.358 -2.043 1.00 0.00 O ATOM 1609 NE2 GLN A 97 4.274 9.784 -1.604 1.00 0.00 N ATOM 0 H GLN A 97 3.920 9.177 2.154 1.00 0.00 H new ATOM 0 HA GLN A 97 6.243 10.732 1.270 1.00 0.00 H new ATOM 0 HB2 GLN A 97 3.316 11.436 1.113 1.00 0.00 H new ATOM 0 HB3 GLN A 97 4.457 12.713 1.485 1.00 0.00 H new ATOM 0 HG2 GLN A 97 4.373 12.975 -0.779 1.00 0.00 H new ATOM 0 HG3 GLN A 97 5.685 11.816 -0.702 1.00 0.00 H new ATOM 0 HE21 GLN A 97 5.102 9.458 -1.105 1.00 0.00 H new ATOM 0 HE22 GLN A 97 3.783 9.157 -2.241 1.00 0.00 H new ATOM 1618 N ASP A 98 6.429 11.869 3.550 1.00 0.00 N ATOM 1619 CA ASP A 98 6.668 12.401 4.908 1.00 0.00 C ATOM 1620 C ASP A 98 5.955 13.752 5.174 1.00 0.00 C ATOM 1621 O ASP A 98 6.131 14.367 6.227 1.00 0.00 O ATOM 1622 CB ASP A 98 8.186 12.481 5.128 1.00 0.00 C ATOM 1623 CG ASP A 98 8.617 12.653 6.596 1.00 0.00 C ATOM 1624 OD1 ASP A 98 9.620 13.370 6.828 1.00 0.00 O ATOM 1625 OD2 ASP A 98 8.031 12.008 7.498 1.00 0.00 O ATOM 0 H ASP A 98 7.169 12.107 2.890 1.00 0.00 H new ATOM 0 HA ASP A 98 6.226 11.722 5.637 1.00 0.00 H new ATOM 0 HB2 ASP A 98 8.645 11.574 4.733 1.00 0.00 H new ATOM 0 HB3 ASP A 98 8.580 13.316 4.548 1.00 0.00 H new ATOM 1630 N GLY A 99 5.158 14.236 4.211 1.00 0.00 N ATOM 1631 CA GLY A 99 4.370 15.477 4.305 1.00 0.00 C ATOM 1632 C GLY A 99 5.167 16.767 4.054 1.00 0.00 C ATOM 1633 O GLY A 99 4.687 17.860 4.359 1.00 0.00 O ATOM 0 H GLY A 99 5.039 13.761 3.316 1.00 0.00 H new ATOM 0 HA2 GLY A 99 3.552 15.427 3.587 1.00 0.00 H new ATOM 0 HA3 GLY A 99 3.921 15.531 5.297 1.00 0.00 H new ATOM 1637 N THR A 100 6.389 16.644 3.523 1.00 0.00 N ATOM 1638 CA THR A 100 7.372 17.740 3.370 1.00 0.00 C ATOM 1639 C THR A 100 8.140 17.697 2.031 1.00 0.00 C ATOM 1640 O THR A 100 9.202 18.308 1.890 1.00 0.00 O ATOM 1641 CB THR A 100 8.292 17.760 4.610 1.00 0.00 C ATOM 1642 OG1 THR A 100 9.077 18.934 4.673 1.00 0.00 O ATOM 1643 CG2 THR A 100 9.217 16.544 4.699 1.00 0.00 C ATOM 0 H THR A 100 6.739 15.752 3.174 1.00 0.00 H new ATOM 0 HA THR A 100 6.834 18.687 3.321 1.00 0.00 H new ATOM 0 HB THR A 100 7.609 17.732 5.459 1.00 0.00 H new ATOM 0 HG1 THR A 100 9.407 19.156 3.777 1.00 0.00 H new ATOM 0 HG21 THR A 100 9.836 16.622 5.593 1.00 0.00 H new ATOM 0 HG22 THR A 100 8.618 15.634 4.750 1.00 0.00 H new ATOM 0 HG23 THR A 100 9.857 16.508 3.817 1.00 0.00 H new ATOM 1651 N GLY A 101 7.630 16.961 1.033 1.00 0.00 N ATOM 1652 CA GLY A 101 8.254 16.805 -0.294 1.00 0.00 C ATOM 1653 C GLY A 101 9.232 15.625 -0.418 1.00 0.00 C ATOM 1654 O GLY A 101 9.777 15.389 -1.499 1.00 0.00 O ATOM 0 H GLY A 101 6.754 16.446 1.125 1.00 0.00 H new ATOM 0 HA2 GLY A 101 7.466 16.684 -1.037 1.00 0.00 H new ATOM 0 HA3 GLY A 101 8.785 17.725 -0.539 1.00 0.00 H new ATOM 1658 N ARG A 102 9.424 14.850 0.660 1.00 0.00 N ATOM 1659 CA ARG A 102 10.074 13.535 0.656 1.00 0.00 C ATOM 1660 C ARG A 102 9.074 12.488 0.200 1.00 0.00 C ATOM 1661 O ARG A 102 7.908 12.521 0.602 1.00 0.00 O ATOM 1662 CB ARG A 102 10.561 13.144 2.059 1.00 0.00 C ATOM 1663 CG ARG A 102 11.603 14.107 2.627 1.00 0.00 C ATOM 1664 CD ARG A 102 11.920 13.791 4.095 1.00 0.00 C ATOM 1665 NE ARG A 102 12.678 12.533 4.246 1.00 0.00 N ATOM 1666 CZ ARG A 102 12.716 11.742 5.306 1.00 0.00 C ATOM 1667 NH1 ARG A 102 13.519 10.717 5.321 1.00 0.00 N ATOM 1668 NH2 ARG A 102 11.979 11.929 6.364 1.00 0.00 N ATOM 0 H ARG A 102 9.119 15.134 1.591 1.00 0.00 H new ATOM 0 HA ARG A 102 10.930 13.587 -0.016 1.00 0.00 H new ATOM 0 HB2 ARG A 102 9.707 13.104 2.735 1.00 0.00 H new ATOM 0 HB3 ARG A 102 10.985 12.141 2.022 1.00 0.00 H new ATOM 0 HG2 ARG A 102 12.516 14.047 2.035 1.00 0.00 H new ATOM 0 HG3 ARG A 102 11.237 15.130 2.545 1.00 0.00 H new ATOM 0 HD2 ARG A 102 12.493 14.612 4.526 1.00 0.00 H new ATOM 0 HD3 ARG A 102 10.990 13.722 4.659 1.00 0.00 H new ATOM 0 HE ARG A 102 13.235 12.241 3.443 1.00 0.00 H new ATOM 0 HH11 ARG A 102 14.117 10.526 4.517 1.00 0.00 H new ATOM 0 HH12 ARG A 102 13.550 10.106 6.137 1.00 0.00 H new ATOM 0 HH21 ARG A 102 11.332 12.717 6.402 1.00 0.00 H new ATOM 0 HH22 ARG A 102 12.049 11.287 7.154 1.00 0.00 H new ATOM 1682 N SER A 103 9.564 11.518 -0.551 1.00 0.00 N ATOM 1683 CA SER A 103 8.813 10.303 -0.878 1.00 0.00 C ATOM 1684 C SER A 103 9.681 9.051 -1.047 1.00 0.00 C ATOM 1685 O SER A 103 10.887 9.139 -1.297 1.00 0.00 O ATOM 1686 CB SER A 103 7.940 10.518 -2.125 1.00 0.00 C ATOM 1687 OG SER A 103 8.717 10.650 -3.304 1.00 0.00 O ATOM 0 H SER A 103 10.499 11.544 -0.957 1.00 0.00 H new ATOM 0 HA SER A 103 8.179 10.114 -0.012 1.00 0.00 H new ATOM 0 HB2 SER A 103 7.254 9.678 -2.236 1.00 0.00 H new ATOM 0 HB3 SER A 103 7.331 11.412 -1.991 1.00 0.00 H new ATOM 0 HG SER A 103 8.124 10.783 -4.073 1.00 0.00 H new ATOM 1693 N ALA A 104 9.050 7.880 -0.926 1.00 0.00 N ATOM 1694 CA ALA A 104 9.633 6.576 -1.244 1.00 0.00 C ATOM 1695 C ALA A 104 8.572 5.623 -1.814 1.00 0.00 C ATOM 1696 O ALA A 104 7.420 5.641 -1.383 1.00 0.00 O ATOM 1697 CB ALA A 104 10.281 5.991 0.019 1.00 0.00 C ATOM 0 H ALA A 104 8.088 7.813 -0.593 1.00 0.00 H new ATOM 0 HA ALA A 104 10.398 6.703 -2.010 1.00 0.00 H new ATOM 0 HB1 ALA A 104 10.717 5.019 -0.213 1.00 0.00 H new ATOM 0 HB2 ALA A 104 11.062 6.664 0.372 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.525 5.874 0.795 1.00 0.00 H new ATOM 1703 N PHE A 105 8.965 4.758 -2.750 1.00 0.00 N ATOM 1704 CA PHE A 105 8.160 3.609 -3.168 1.00 0.00 C ATOM 1705 C PHE A 105 8.519 2.398 -2.295 1.00 0.00 C ATOM 1706 O PHE A 105 9.680 1.985 -2.248 1.00 0.00 O ATOM 1707 CB PHE A 105 8.365 3.322 -4.663 1.00 0.00 C ATOM 1708 CG PHE A 105 7.667 4.292 -5.601 1.00 0.00 C ATOM 1709 CD1 PHE A 105 8.336 5.428 -6.098 1.00 0.00 C ATOM 1710 CD2 PHE A 105 6.345 4.035 -6.014 1.00 0.00 C ATOM 1711 CE1 PHE A 105 7.694 6.287 -7.009 1.00 0.00 C ATOM 1712 CE2 PHE A 105 5.706 4.885 -6.933 1.00 0.00 C ATOM 1713 CZ PHE A 105 6.382 6.011 -7.432 1.00 0.00 C ATOM 0 H PHE A 105 9.855 4.835 -3.242 1.00 0.00 H new ATOM 0 HA PHE A 105 7.101 3.829 -3.030 1.00 0.00 H new ATOM 0 HB2 PHE A 105 9.434 3.336 -4.878 1.00 0.00 H new ATOM 0 HB3 PHE A 105 8.011 2.314 -4.877 1.00 0.00 H new ATOM 0 HD1 PHE A 105 9.346 5.640 -5.778 1.00 0.00 H new ATOM 0 HD2 PHE A 105 5.818 3.178 -5.621 1.00 0.00 H new ATOM 0 HE1 PHE A 105 8.210 7.159 -7.384 1.00 0.00 H new ATOM 0 HE2 PHE A 105 4.697 4.673 -7.255 1.00 0.00 H new ATOM 0 HZ PHE A 105 5.894 6.664 -8.140 1.00 0.00 H new ATOM 1723 N ILE A 106 7.527 1.835 -1.602 1.00 0.00 N ATOM 1724 CA ILE A 106 7.672 0.652 -0.734 1.00 0.00 C ATOM 1725 C ILE A 106 6.747 -0.477 -1.189 1.00 0.00 C ATOM 1726 O ILE A 106 5.627 -0.221 -1.629 1.00 0.00 O ATOM 1727 CB ILE A 106 7.481 0.995 0.765 1.00 0.00 C ATOM 1728 CG1 ILE A 106 6.023 1.343 1.147 1.00 0.00 C ATOM 1729 CG2 ILE A 106 8.440 2.130 1.160 1.00 0.00 C ATOM 1730 CD1 ILE A 106 5.796 1.526 2.654 1.00 0.00 C ATOM 0 H ILE A 106 6.573 2.195 -1.626 1.00 0.00 H new ATOM 0 HA ILE A 106 8.698 0.298 -0.835 1.00 0.00 H new ATOM 0 HB ILE A 106 7.719 0.093 1.329 1.00 0.00 H new ATOM 0 HG12 ILE A 106 5.733 2.259 0.633 1.00 0.00 H new ATOM 0 HG13 ILE A 106 5.365 0.553 0.785 1.00 0.00 H new ATOM 0 HG21 ILE A 106 8.305 2.370 2.215 1.00 0.00 H new ATOM 0 HG22 ILE A 106 9.469 1.813 0.989 1.00 0.00 H new ATOM 0 HG23 ILE A 106 8.227 3.013 0.557 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.749 1.768 2.838 1.00 0.00 H new ATOM 0 HD12 ILE A 106 6.052 0.604 3.175 1.00 0.00 H new ATOM 0 HD13 ILE A 106 6.425 2.337 3.021 1.00 0.00 H new ATOM 1742 N GLY A 107 7.200 -1.724 -1.072 1.00 0.00 N ATOM 1743 CA GLY A 107 6.393 -2.915 -1.334 1.00 0.00 C ATOM 1744 C GLY A 107 5.698 -3.385 -0.061 1.00 0.00 C ATOM 1745 O GLY A 107 6.292 -3.323 1.015 1.00 0.00 O ATOM 0 H GLY A 107 8.156 -1.939 -0.787 1.00 0.00 H new ATOM 0 HA2 GLY A 107 5.650 -2.695 -2.100 1.00 0.00 H new ATOM 0 HA3 GLY A 107 7.027 -3.712 -1.724 1.00 0.00 H new ATOM 1749 N ILE A 108 4.462 -3.871 -0.176 1.00 0.00 N ATOM 1750 CA ILE A 108 3.701 -4.517 0.896 1.00 0.00 C ATOM 1751 C ILE A 108 3.177 -5.892 0.468 1.00 0.00 C ATOM 1752 O ILE A 108 2.732 -6.078 -0.666 1.00 0.00 O ATOM 1753 CB ILE A 108 2.569 -3.633 1.469 1.00 0.00 C ATOM 1754 CG1 ILE A 108 1.529 -3.170 0.424 1.00 0.00 C ATOM 1755 CG2 ILE A 108 3.183 -2.452 2.232 1.00 0.00 C ATOM 1756 CD1 ILE A 108 0.282 -2.525 1.049 1.00 0.00 C ATOM 0 H ILE A 108 3.942 -3.824 -1.052 1.00 0.00 H new ATOM 0 HA ILE A 108 4.408 -4.664 1.713 1.00 0.00 H new ATOM 0 HB ILE A 108 1.995 -4.255 2.156 1.00 0.00 H new ATOM 0 HG12 ILE A 108 1.998 -2.456 -0.253 1.00 0.00 H new ATOM 0 HG13 ILE A 108 1.223 -4.026 -0.178 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.387 -1.827 2.637 1.00 0.00 H new ATOM 0 HG22 ILE A 108 3.800 -2.828 3.048 1.00 0.00 H new ATOM 0 HG23 ILE A 108 3.799 -1.861 1.554 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -0.406 -2.223 0.259 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -0.210 -3.244 1.704 1.00 0.00 H new ATOM 0 HD13 ILE A 108 0.576 -1.649 1.628 1.00 0.00 H new ATOM 1768 N GLY A 109 3.222 -6.852 1.391 1.00 0.00 N ATOM 1769 CA GLY A 109 2.730 -8.219 1.211 1.00 0.00 C ATOM 1770 C GLY A 109 1.692 -8.619 2.254 1.00 0.00 C ATOM 1771 O GLY A 109 1.829 -8.305 3.440 1.00 0.00 O ATOM 0 H GLY A 109 3.616 -6.694 2.318 1.00 0.00 H new ATOM 0 HA2 GLY A 109 2.294 -8.315 0.217 1.00 0.00 H new ATOM 0 HA3 GLY A 109 3.571 -8.911 1.258 1.00 0.00 H new ATOM 1775 N PHE A 110 0.658 -9.319 1.791 1.00 0.00 N ATOM 1776 CA PHE A 110 -0.488 -9.773 2.578 1.00 0.00 C ATOM 1777 C PHE A 110 -0.356 -11.254 2.961 1.00 0.00 C ATOM 1778 O PHE A 110 0.338 -12.034 2.304 1.00 0.00 O ATOM 1779 CB PHE A 110 -1.786 -9.510 1.795 1.00 0.00 C ATOM 1780 CG PHE A 110 -2.203 -8.051 1.734 1.00 0.00 C ATOM 1781 CD1 PHE A 110 -1.423 -7.103 1.042 1.00 0.00 C ATOM 1782 CD2 PHE A 110 -3.383 -7.638 2.384 1.00 0.00 C ATOM 1783 CE1 PHE A 110 -1.791 -5.748 1.050 1.00 0.00 C ATOM 1784 CE2 PHE A 110 -3.776 -6.291 2.344 1.00 0.00 C ATOM 1785 CZ PHE A 110 -2.969 -5.343 1.692 1.00 0.00 C ATOM 0 H PHE A 110 0.593 -9.598 0.812 1.00 0.00 H new ATOM 0 HA PHE A 110 -0.518 -9.208 3.510 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -1.663 -9.882 0.778 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -2.592 -10.086 2.250 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -0.541 -7.419 0.505 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -3.987 -8.360 2.914 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -1.165 -5.017 0.560 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -4.698 -5.983 2.814 1.00 0.00 H new ATOM 0 HZ PHE A 110 -3.257 -4.302 1.686 1.00 0.00 H new ATOM 1795 N THR A 111 -1.069 -11.654 4.016 1.00 0.00 N ATOM 1796 CA THR A 111 -1.086 -13.041 4.514 1.00 0.00 C ATOM 1797 C THR A 111 -1.892 -13.987 3.614 1.00 0.00 C ATOM 1798 O THR A 111 -1.671 -15.200 3.622 1.00 0.00 O ATOM 1799 CB THR A 111 -1.596 -13.056 5.966 1.00 0.00 C ATOM 1800 OG1 THR A 111 -1.287 -14.283 6.593 1.00 0.00 O ATOM 1801 CG2 THR A 111 -3.101 -12.808 6.113 1.00 0.00 C ATOM 0 H THR A 111 -1.658 -11.022 4.558 1.00 0.00 H new ATOM 0 HA THR A 111 -0.065 -13.421 4.491 1.00 0.00 H new ATOM 0 HB THR A 111 -1.081 -12.225 6.447 1.00 0.00 H new ATOM 0 HG1 THR A 111 -1.618 -14.272 7.515 1.00 0.00 H new ATOM 0 HG21 THR A 111 -3.373 -12.836 7.168 1.00 0.00 H new ATOM 0 HG22 THR A 111 -3.351 -11.831 5.700 1.00 0.00 H new ATOM 0 HG23 THR A 111 -3.651 -13.581 5.576 1.00 0.00 H new ATOM 1809 N ASP A 112 -2.809 -13.444 2.802 1.00 0.00 N ATOM 1810 CA ASP A 112 -3.678 -14.207 1.908 1.00 0.00 C ATOM 1811 C ASP A 112 -4.205 -13.338 0.754 1.00 0.00 C ATOM 1812 O ASP A 112 -4.401 -12.126 0.903 1.00 0.00 O ATOM 1813 CB ASP A 112 -4.852 -14.806 2.705 1.00 0.00 C ATOM 1814 CG ASP A 112 -5.623 -15.849 1.881 1.00 0.00 C ATOM 1815 OD1 ASP A 112 -5.178 -17.020 1.820 1.00 0.00 O ATOM 1816 OD2 ASP A 112 -6.647 -15.489 1.257 1.00 0.00 O ATOM 0 H ASP A 112 -2.968 -12.438 2.750 1.00 0.00 H new ATOM 0 HA ASP A 112 -3.089 -15.013 1.471 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -4.475 -15.269 3.617 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -5.530 -14.009 3.009 1.00 0.00 H new ATOM 1821 N ARG A 113 -4.482 -13.973 -0.390 1.00 0.00 N ATOM 1822 CA ARG A 113 -5.092 -13.344 -1.570 1.00 0.00 C ATOM 1823 C ARG A 113 -6.419 -12.654 -1.253 1.00 0.00 C ATOM 1824 O ARG A 113 -6.650 -11.545 -1.724 1.00 0.00 O ATOM 1825 CB ARG A 113 -5.298 -14.435 -2.630 1.00 0.00 C ATOM 1826 CG ARG A 113 -5.608 -13.820 -3.998 1.00 0.00 C ATOM 1827 CD ARG A 113 -6.025 -14.892 -5.010 1.00 0.00 C ATOM 1828 NE ARG A 113 -7.376 -15.424 -4.735 1.00 0.00 N ATOM 1829 CZ ARG A 113 -7.958 -16.449 -5.332 1.00 0.00 C ATOM 1830 NH1 ARG A 113 -9.158 -16.819 -4.986 1.00 0.00 N ATOM 1831 NH2 ARG A 113 -7.372 -17.127 -6.280 1.00 0.00 N ATOM 0 H ARG A 113 -4.284 -14.964 -0.526 1.00 0.00 H new ATOM 0 HA ARG A 113 -4.425 -12.563 -1.933 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -4.403 -15.053 -2.700 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -6.115 -15.090 -2.328 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -6.405 -13.084 -3.896 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -4.730 -13.290 -4.368 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -6.000 -14.470 -6.015 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -5.304 -15.709 -4.989 1.00 0.00 H new ATOM 0 HE ARG A 113 -7.915 -14.951 -4.009 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -9.654 -16.317 -4.250 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -9.601 -17.611 -5.451 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -6.432 -16.871 -6.584 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -7.853 -17.913 -6.717 1.00 0.00 H new ATOM 1845 N GLY A 114 -7.272 -13.271 -0.439 1.00 0.00 N ATOM 1846 CA GLY A 114 -8.584 -12.735 -0.061 1.00 0.00 C ATOM 1847 C GLY A 114 -8.523 -11.401 0.696 1.00 0.00 C ATOM 1848 O GLY A 114 -9.425 -10.577 0.554 1.00 0.00 O ATOM 0 H GLY A 114 -7.070 -14.176 -0.013 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -9.183 -12.602 -0.962 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -9.099 -13.469 0.559 1.00 0.00 H new ATOM 1852 N ASP A 115 -7.441 -11.145 1.443 1.00 0.00 N ATOM 1853 CA ASP A 115 -7.226 -9.874 2.150 1.00 0.00 C ATOM 1854 C ASP A 115 -6.615 -8.800 1.236 1.00 0.00 C ATOM 1855 O ASP A 115 -7.021 -7.638 1.289 1.00 0.00 O ATOM 1856 CB ASP A 115 -6.372 -10.111 3.404 1.00 0.00 C ATOM 1857 CG ASP A 115 -7.127 -10.932 4.460 1.00 0.00 C ATOM 1858 OD1 ASP A 115 -8.187 -10.457 4.935 1.00 0.00 O ATOM 1859 OD2 ASP A 115 -6.660 -12.033 4.830 1.00 0.00 O ATOM 0 H ASP A 115 -6.685 -11.817 1.575 1.00 0.00 H new ATOM 0 HA ASP A 115 -8.197 -9.489 2.461 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -5.455 -10.631 3.127 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -6.078 -9.152 3.831 1.00 0.00 H new ATOM 1864 N ALA A 116 -5.719 -9.187 0.323 1.00 0.00 N ATOM 1865 CA ALA A 116 -5.262 -8.314 -0.761 1.00 0.00 C ATOM 1866 C ALA A 116 -6.402 -7.918 -1.721 1.00 0.00 C ATOM 1867 O ALA A 116 -6.428 -6.795 -2.227 1.00 0.00 O ATOM 1868 CB ALA A 116 -4.152 -9.045 -1.506 1.00 0.00 C ATOM 0 H ALA A 116 -5.291 -10.113 0.315 1.00 0.00 H new ATOM 0 HA ALA A 116 -4.894 -7.380 -0.337 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -3.789 -8.420 -2.322 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -3.332 -9.258 -0.820 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -4.540 -9.980 -1.910 1.00 0.00 H new ATOM 1874 N PHE A 117 -7.386 -8.800 -1.913 1.00 0.00 N ATOM 1875 CA PHE A 117 -8.626 -8.513 -2.641 1.00 0.00 C ATOM 1876 C PHE A 117 -9.653 -7.664 -1.859 1.00 0.00 C ATOM 1877 O PHE A 117 -10.749 -7.410 -2.362 1.00 0.00 O ATOM 1878 CB PHE A 117 -9.203 -9.794 -3.261 1.00 0.00 C ATOM 1879 CG PHE A 117 -8.747 -9.971 -4.697 1.00 0.00 C ATOM 1880 CD1 PHE A 117 -7.456 -10.455 -4.980 1.00 0.00 C ATOM 1881 CD2 PHE A 117 -9.588 -9.567 -5.753 1.00 0.00 C ATOM 1882 CE1 PHE A 117 -7.016 -10.559 -6.312 1.00 0.00 C ATOM 1883 CE2 PHE A 117 -9.147 -9.671 -7.086 1.00 0.00 C ATOM 1884 CZ PHE A 117 -7.863 -10.171 -7.365 1.00 0.00 C ATOM 0 H PHE A 117 -7.342 -9.756 -1.559 1.00 0.00 H new ATOM 0 HA PHE A 117 -8.358 -7.852 -3.465 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -8.893 -10.657 -2.671 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -10.292 -9.758 -3.226 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -6.801 -10.747 -4.172 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -10.572 -9.177 -5.540 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -6.027 -10.937 -6.526 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -9.795 -9.367 -7.894 1.00 0.00 H new ATOM 0 HZ PHE A 117 -7.527 -10.257 -8.388 1.00 0.00 H new ATOM 1894 N ASP A 118 -9.299 -7.165 -0.666 1.00 0.00 N ATOM 1895 CA ASP A 118 -9.960 -6.002 -0.058 1.00 0.00 C ATOM 1896 C ASP A 118 -9.169 -4.698 -0.257 1.00 0.00 C ATOM 1897 O ASP A 118 -9.788 -3.650 -0.426 1.00 0.00 O ATOM 1898 CB ASP A 118 -10.251 -6.247 1.432 1.00 0.00 C ATOM 1899 CG ASP A 118 -11.415 -7.223 1.670 1.00 0.00 C ATOM 1900 OD1 ASP A 118 -11.261 -8.129 2.523 1.00 0.00 O ATOM 1901 OD2 ASP A 118 -12.506 -7.042 1.079 1.00 0.00 O ATOM 0 H ASP A 118 -8.548 -7.555 -0.097 1.00 0.00 H new ATOM 0 HA ASP A 118 -10.909 -5.876 -0.579 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -9.354 -6.638 1.911 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -10.479 -5.295 1.912 1.00 0.00 H new ATOM 1906 N PHE A 119 -7.829 -4.731 -0.302 1.00 0.00 N ATOM 1907 CA PHE A 119 -6.983 -3.543 -0.518 1.00 0.00 C ATOM 1908 C PHE A 119 -7.342 -2.793 -1.814 1.00 0.00 C ATOM 1909 O PHE A 119 -7.603 -1.589 -1.804 1.00 0.00 O ATOM 1910 CB PHE A 119 -5.503 -3.969 -0.506 1.00 0.00 C ATOM 1911 CG PHE A 119 -4.515 -2.889 -0.914 1.00 0.00 C ATOM 1912 CD1 PHE A 119 -3.909 -2.070 0.055 1.00 0.00 C ATOM 1913 CD2 PHE A 119 -4.199 -2.696 -2.273 1.00 0.00 C ATOM 1914 CE1 PHE A 119 -3.043 -1.034 -0.330 1.00 0.00 C ATOM 1915 CE2 PHE A 119 -3.323 -1.667 -2.660 1.00 0.00 C ATOM 1916 CZ PHE A 119 -2.748 -0.829 -1.688 1.00 0.00 C ATOM 0 H PHE A 119 -7.294 -5.592 -0.188 1.00 0.00 H new ATOM 0 HA PHE A 119 -7.165 -2.839 0.294 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -5.248 -4.312 0.497 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -5.382 -4.821 -1.174 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -4.111 -2.239 1.102 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -4.632 -3.342 -3.022 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -2.603 -0.393 0.420 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -3.091 -1.520 -3.705 1.00 0.00 H new ATOM 0 HZ PHE A 119 -2.083 -0.032 -1.984 1.00 0.00 H new ATOM 1926 N ASN A 120 -7.412 -3.521 -2.926 1.00 0.00 N ATOM 1927 CA ASN A 120 -7.728 -2.977 -4.250 1.00 0.00 C ATOM 1928 C ASN A 120 -9.200 -2.538 -4.403 1.00 0.00 C ATOM 1929 O ASN A 120 -9.487 -1.559 -5.099 1.00 0.00 O ATOM 1930 CB ASN A 120 -7.327 -4.026 -5.312 1.00 0.00 C ATOM 1931 CG ASN A 120 -8.056 -5.364 -5.196 1.00 0.00 C ATOM 1932 OD1 ASN A 120 -8.753 -5.658 -4.241 1.00 0.00 O ATOM 1933 ND2 ASN A 120 -7.928 -6.236 -6.165 1.00 0.00 N ATOM 0 H ASN A 120 -7.248 -4.528 -2.935 1.00 0.00 H new ATOM 0 HA ASN A 120 -7.155 -2.060 -4.390 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -7.514 -3.610 -6.302 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -6.254 -4.205 -5.239 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -8.406 -7.135 -6.108 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -7.350 -6.016 -6.976 1.00 0.00 H new ATOM 1940 N VAL A 121 -10.141 -3.237 -3.762 1.00 0.00 N ATOM 1941 CA VAL A 121 -11.579 -2.921 -3.795 1.00 0.00 C ATOM 1942 C VAL A 121 -11.883 -1.687 -2.940 1.00 0.00 C ATOM 1943 O VAL A 121 -12.637 -0.813 -3.366 1.00 0.00 O ATOM 1944 CB VAL A 121 -12.420 -4.148 -3.379 1.00 0.00 C ATOM 1945 CG1 VAL A 121 -13.904 -3.815 -3.175 1.00 0.00 C ATOM 1946 CG2 VAL A 121 -12.348 -5.229 -4.466 1.00 0.00 C ATOM 0 H VAL A 121 -9.924 -4.055 -3.193 1.00 0.00 H new ATOM 0 HA VAL A 121 -11.860 -2.676 -4.819 1.00 0.00 H new ATOM 0 HB VAL A 121 -12.000 -4.492 -2.434 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -14.443 -4.717 -2.884 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -14.004 -3.064 -2.391 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -14.321 -3.427 -4.104 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -12.944 -6.090 -4.163 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -12.737 -4.830 -5.403 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -11.312 -5.536 -4.605 1.00 0.00 H new ATOM 1956 N SER A 122 -11.234 -1.564 -1.780 1.00 0.00 N ATOM 1957 CA SER A 122 -11.351 -0.418 -0.871 1.00 0.00 C ATOM 1958 C SER A 122 -10.991 0.914 -1.549 1.00 0.00 C ATOM 1959 O SER A 122 -11.673 1.921 -1.346 1.00 0.00 O ATOM 1960 CB SER A 122 -10.429 -0.674 0.324 1.00 0.00 C ATOM 1961 OG SER A 122 -10.575 0.325 1.306 1.00 0.00 O ATOM 0 H SER A 122 -10.593 -2.279 -1.436 1.00 0.00 H new ATOM 0 HA SER A 122 -12.390 -0.325 -0.554 1.00 0.00 H new ATOM 0 HB2 SER A 122 -10.654 -1.649 0.757 1.00 0.00 H new ATOM 0 HB3 SER A 122 -9.393 -0.707 -0.014 1.00 0.00 H new ATOM 0 HG SER A 122 -10.158 1.155 0.993 1.00 0.00 H new ATOM 1967 N LEU A 123 -9.974 0.908 -2.422 1.00 0.00 N ATOM 1968 CA LEU A 123 -9.561 2.078 -3.204 1.00 0.00 C ATOM 1969 C LEU A 123 -10.507 2.356 -4.383 1.00 0.00 C ATOM 1970 O LEU A 123 -11.028 3.468 -4.504 1.00 0.00 O ATOM 1971 CB LEU A 123 -8.104 1.893 -3.667 1.00 0.00 C ATOM 1972 CG LEU A 123 -7.076 1.867 -2.518 1.00 0.00 C ATOM 1973 CD1 LEU A 123 -5.706 1.479 -3.069 1.00 0.00 C ATOM 1974 CD2 LEU A 123 -6.951 3.227 -1.824 1.00 0.00 C ATOM 0 H LEU A 123 -9.409 0.079 -2.606 1.00 0.00 H new ATOM 0 HA LEU A 123 -9.620 2.959 -2.565 1.00 0.00 H new ATOM 0 HB2 LEU A 123 -8.028 0.962 -4.229 1.00 0.00 H new ATOM 0 HB3 LEU A 123 -7.847 2.701 -4.352 1.00 0.00 H new ATOM 0 HG LEU A 123 -7.426 1.138 -1.787 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -4.979 1.461 -2.257 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -5.764 0.491 -3.526 1.00 0.00 H new ATOM 0 HD13 LEU A 123 -5.395 2.208 -3.818 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -6.216 3.160 -1.022 1.00 0.00 H new ATOM 0 HD22 LEU A 123 -6.631 3.977 -2.548 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -7.917 3.513 -1.408 1.00 0.00 H new ATOM 1986 N GLN A 124 -10.781 1.361 -5.235 1.00 0.00 N ATOM 1987 CA GLN A 124 -11.594 1.584 -6.442 1.00 0.00 C ATOM 1988 C GLN A 124 -13.053 1.955 -6.124 1.00 0.00 C ATOM 1989 O GLN A 124 -13.652 2.750 -6.844 1.00 0.00 O ATOM 1990 CB GLN A 124 -11.473 0.383 -7.399 1.00 0.00 C ATOM 1991 CG GLN A 124 -12.346 -0.817 -7.019 1.00 0.00 C ATOM 1992 CD GLN A 124 -11.950 -2.076 -7.787 1.00 0.00 C ATOM 1993 OE1 GLN A 124 -12.628 -2.526 -8.702 1.00 0.00 O ATOM 1994 NE2 GLN A 124 -10.834 -2.686 -7.447 1.00 0.00 N ATOM 0 H GLN A 124 -10.456 0.401 -5.115 1.00 0.00 H new ATOM 0 HA GLN A 124 -11.192 2.458 -6.955 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -11.739 0.707 -8.405 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -10.431 0.064 -7.432 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -12.261 -1.003 -5.948 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -13.392 -0.583 -7.220 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -10.263 -2.318 -6.686 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -10.540 -3.527 -7.945 1.00 0.00 H new ATOM 2003 N ASP A 125 -13.607 1.462 -5.010 1.00 0.00 N ATOM 2004 CA ASP A 125 -14.960 1.785 -4.545 1.00 0.00 C ATOM 2005 C ASP A 125 -15.004 3.038 -3.648 1.00 0.00 C ATOM 2006 O ASP A 125 -16.072 3.411 -3.158 1.00 0.00 O ATOM 2007 CB ASP A 125 -15.606 0.549 -3.897 1.00 0.00 C ATOM 2008 CG ASP A 125 -17.130 0.694 -3.728 1.00 0.00 C ATOM 2009 OD1 ASP A 125 -17.660 0.326 -2.652 1.00 0.00 O ATOM 2010 OD2 ASP A 125 -17.810 1.168 -4.672 1.00 0.00 O ATOM 0 H ASP A 125 -13.116 0.814 -4.394 1.00 0.00 H new ATOM 0 HA ASP A 125 -15.560 2.053 -5.414 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -15.394 -0.329 -4.508 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -15.151 0.376 -2.922 1.00 0.00 H new ATOM 2015 N HIS A 126 -13.879 3.750 -3.499 1.00 0.00 N ATOM 2016 CA HIS A 126 -13.894 5.174 -3.157 1.00 0.00 C ATOM 2017 C HIS A 126 -13.824 6.063 -4.402 1.00 0.00 C ATOM 2018 O HIS A 126 -14.582 7.022 -4.512 1.00 0.00 O ATOM 2019 CB HIS A 126 -12.784 5.527 -2.158 1.00 0.00 C ATOM 2020 CG HIS A 126 -12.924 6.948 -1.661 1.00 0.00 C ATOM 2021 ND1 HIS A 126 -13.750 7.352 -0.607 1.00 0.00 N ATOM 2022 CD2 HIS A 126 -12.391 8.060 -2.252 1.00 0.00 C ATOM 2023 CE1 HIS A 126 -13.700 8.694 -0.591 1.00 0.00 C ATOM 2024 NE2 HIS A 126 -12.899 9.147 -1.571 1.00 0.00 N ATOM 0 H HIS A 126 -12.944 3.358 -3.611 1.00 0.00 H new ATOM 0 HA HIS A 126 -14.850 5.372 -2.672 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -12.820 4.839 -1.313 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -11.811 5.400 -2.632 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -11.707 8.083 -3.087 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -14.229 9.321 0.111 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -12.701 10.126 -1.776 1.00 0.00 H new ATOM 2032 N PHE A 127 -12.960 5.738 -5.368 1.00 0.00 N ATOM 2033 CA PHE A 127 -12.678 6.599 -6.524 1.00 0.00 C ATOM 2034 C PHE A 127 -13.640 6.437 -7.712 1.00 0.00 C ATOM 2035 O PHE A 127 -13.497 7.156 -8.703 1.00 0.00 O ATOM 2036 CB PHE A 127 -11.211 6.432 -6.935 1.00 0.00 C ATOM 2037 CG PHE A 127 -10.225 7.031 -5.952 1.00 0.00 C ATOM 2038 CD1 PHE A 127 -10.199 8.422 -5.740 1.00 0.00 C ATOM 2039 CD2 PHE A 127 -9.301 6.211 -5.280 1.00 0.00 C ATOM 2040 CE1 PHE A 127 -9.217 8.992 -4.913 1.00 0.00 C ATOM 2041 CE2 PHE A 127 -8.308 6.779 -4.467 1.00 0.00 C ATOM 2042 CZ PHE A 127 -8.261 8.172 -4.297 1.00 0.00 C ATOM 0 H PHE A 127 -12.432 4.865 -5.371 1.00 0.00 H new ATOM 0 HA PHE A 127 -12.856 7.624 -6.199 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -10.995 5.370 -7.050 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -11.062 6.895 -7.911 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -10.936 9.053 -6.214 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -9.356 5.138 -5.390 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -9.198 10.060 -4.752 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -7.583 6.148 -3.974 1.00 0.00 H new ATOM 0 HZ PHE A 127 -7.485 8.614 -3.689 1.00 0.00 H new ATOM 2052 N LYS A 128 -14.657 5.568 -7.619 1.00 0.00 N ATOM 2053 CA LYS A 128 -15.630 5.305 -8.700 1.00 0.00 C ATOM 2054 C LYS A 128 -16.421 6.525 -9.208 1.00 0.00 C ATOM 2055 O LYS A 128 -16.957 6.475 -10.312 1.00 0.00 O ATOM 2056 CB LYS A 128 -16.551 4.118 -8.344 1.00 0.00 C ATOM 2057 CG LYS A 128 -17.718 4.407 -7.387 1.00 0.00 C ATOM 2058 CD LYS A 128 -17.292 4.897 -6.001 1.00 0.00 C ATOM 2059 CE LYS A 128 -18.501 4.995 -5.063 1.00 0.00 C ATOM 2060 NZ LYS A 128 -18.650 3.785 -4.214 1.00 0.00 N ATOM 0 H LYS A 128 -14.833 5.017 -6.779 1.00 0.00 H new ATOM 0 HA LYS A 128 -15.016 5.032 -9.558 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -16.963 3.718 -9.271 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -15.937 3.332 -7.903 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -18.367 5.156 -7.840 1.00 0.00 H new ATOM 0 HG3 LYS A 128 -18.311 3.500 -7.272 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -16.554 4.214 -5.580 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -16.812 5.872 -6.087 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -18.395 5.873 -4.426 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -19.406 5.137 -5.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -19.566 3.817 -3.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -18.608 2.935 -4.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -17.881 3.755 -3.514 1.00 0.00 H new ATOM 2074 N TRP A 129 -16.467 7.620 -8.442 1.00 0.00 N ATOM 2075 CA TRP A 129 -17.040 8.918 -8.852 1.00 0.00 C ATOM 2076 C TRP A 129 -15.991 9.956 -9.308 1.00 0.00 C ATOM 2077 O TRP A 129 -16.343 10.939 -9.961 1.00 0.00 O ATOM 2078 CB TRP A 129 -17.895 9.483 -7.708 1.00 0.00 C ATOM 2079 CG TRP A 129 -17.139 9.889 -6.475 1.00 0.00 C ATOM 2080 CD1 TRP A 129 -16.642 9.040 -5.552 1.00 0.00 C ATOM 2081 CD2 TRP A 129 -16.776 11.229 -6.005 1.00 0.00 C ATOM 2082 NE1 TRP A 129 -15.934 9.734 -4.598 1.00 0.00 N ATOM 2083 CE2 TRP A 129 -16.018 11.094 -4.798 1.00 0.00 C ATOM 2084 CE3 TRP A 129 -17.009 12.543 -6.467 1.00 0.00 C ATOM 2085 CZ2 TRP A 129 -15.520 12.199 -4.093 1.00 0.00 C ATOM 2086 CZ3 TRP A 129 -16.535 13.661 -5.754 1.00 0.00 C ATOM 2087 CH2 TRP A 129 -15.792 13.493 -4.569 1.00 0.00 C ATOM 0 H TRP A 129 -16.097 7.634 -7.491 1.00 0.00 H new ATOM 0 HA TRP A 129 -17.656 8.724 -9.730 1.00 0.00 H new ATOM 0 HB2 TRP A 129 -18.441 10.350 -8.080 1.00 0.00 H new ATOM 0 HB3 TRP A 129 -18.637 8.735 -7.428 1.00 0.00 H new ATOM 0 HD1 TRP A 129 -16.780 7.969 -5.561 1.00 0.00 H new ATOM 0 HE1 TRP A 129 -15.413 9.296 -3.838 1.00 0.00 H new ATOM 0 HE3 TRP A 129 -17.560 12.693 -7.383 1.00 0.00 H new ATOM 0 HZ2 TRP A 129 -14.935 12.058 -3.196 1.00 0.00 H new ATOM 0 HZ3 TRP A 129 -16.743 14.656 -6.119 1.00 0.00 H new ATOM 0 HH2 TRP A 129 -15.433 14.356 -4.028 1.00 0.00 H new ATOM 2098 N VAL A 130 -14.710 9.744 -8.983 1.00 0.00 N ATOM 2099 CA VAL A 130 -13.590 10.668 -9.259 1.00 0.00 C ATOM 2100 C VAL A 130 -12.881 10.319 -10.572 1.00 0.00 C ATOM 2101 O VAL A 130 -12.524 11.213 -11.339 1.00 0.00 O ATOM 2102 CB VAL A 130 -12.569 10.665 -8.097 1.00 0.00 C ATOM 2103 CG1 VAL A 130 -11.506 11.759 -8.255 1.00 0.00 C ATOM 2104 CG2 VAL A 130 -13.240 10.880 -6.735 1.00 0.00 C ATOM 0 H VAL A 130 -14.408 8.896 -8.503 1.00 0.00 H new ATOM 0 HA VAL A 130 -14.016 11.667 -9.354 1.00 0.00 H new ATOM 0 HB VAL A 130 -12.103 9.680 -8.136 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -10.812 11.716 -7.415 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -10.959 11.604 -9.185 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -11.990 12.736 -8.277 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -12.483 10.870 -5.951 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -13.754 11.841 -6.730 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -13.960 10.082 -6.554 1.00 0.00 H new ATOM 2114 N LYS A 131 -12.715 9.021 -10.868 1.00 0.00 N ATOM 2115 CA LYS A 131 -11.991 8.495 -12.041 1.00 0.00 C ATOM 2116 C LYS A 131 -12.926 8.291 -13.249 1.00 0.00 C ATOM 2117 O LYS A 131 -12.771 7.367 -14.046 1.00 0.00 O ATOM 2118 CB LYS A 131 -11.166 7.265 -11.595 1.00 0.00 C ATOM 2119 CG LYS A 131 -10.144 6.704 -12.605 1.00 0.00 C ATOM 2120 CD LYS A 131 -9.217 7.762 -13.222 1.00 0.00 C ATOM 2121 CE LYS A 131 -8.289 7.097 -14.241 1.00 0.00 C ATOM 2122 NZ LYS A 131 -7.415 8.094 -14.911 1.00 0.00 N ATOM 0 H LYS A 131 -13.094 8.280 -10.278 1.00 0.00 H new ATOM 0 HA LYS A 131 -11.273 9.222 -12.422 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -10.631 7.529 -10.683 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -11.861 6.466 -11.337 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -9.534 5.951 -12.106 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -10.683 6.199 -13.406 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -9.807 8.540 -13.706 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -8.630 8.246 -12.441 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -7.673 6.349 -13.741 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -8.884 6.572 -14.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -6.897 7.635 -15.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -7.998 8.866 -15.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -6.737 8.480 -14.223 1.00 0.00 H new ATOM 2136 N GLN A 132 -13.928 9.161 -13.366 1.00 0.00 N ATOM 2137 CA GLN A 132 -14.907 9.181 -14.450 1.00 0.00 C ATOM 2138 C GLN A 132 -14.419 10.101 -15.579 1.00 0.00 C ATOM 2139 O GLN A 132 -14.554 11.327 -15.518 1.00 0.00 O ATOM 2140 CB GLN A 132 -16.287 9.598 -13.919 1.00 0.00 C ATOM 2141 CG GLN A 132 -16.936 8.525 -13.025 1.00 0.00 C ATOM 2142 CD GLN A 132 -17.341 7.248 -13.770 1.00 0.00 C ATOM 2143 OE1 GLN A 132 -17.465 7.193 -14.988 1.00 0.00 O ATOM 2144 NE2 GLN A 132 -17.576 6.164 -13.065 1.00 0.00 N ATOM 0 H GLN A 132 -14.086 9.900 -12.681 1.00 0.00 H new ATOM 0 HA GLN A 132 -15.012 8.178 -14.863 1.00 0.00 H new ATOM 0 HB2 GLN A 132 -16.188 10.524 -13.352 1.00 0.00 H new ATOM 0 HB3 GLN A 132 -16.946 9.809 -14.761 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -16.240 8.262 -12.228 1.00 0.00 H new ATOM 0 HG3 GLN A 132 -17.820 8.950 -12.549 1.00 0.00 H new ATOM 0 HE21 GLN A 132 -17.479 6.185 -12.050 1.00 0.00 H new ATOM 0 HE22 GLN A 132 -17.855 5.302 -13.533 1.00 0.00 H new ATOM 2153 N GLU A 133 -13.824 9.485 -16.599 1.00 0.00 N ATOM 2154 CA GLU A 133 -13.217 10.124 -17.786 1.00 0.00 C ATOM 2155 C GLU A 133 -13.651 9.458 -19.106 1.00 0.00 C ATOM 2156 O GLU A 133 -14.050 10.195 -20.038 1.00 0.00 O ATOM 2157 CB GLU A 133 -11.680 10.130 -17.667 1.00 0.00 C ATOM 2158 CG GLU A 133 -11.152 10.971 -16.493 1.00 0.00 C ATOM 2159 CD GLU A 133 -9.611 11.059 -16.523 1.00 0.00 C ATOM 2160 OE1 GLU A 133 -8.935 10.118 -16.037 1.00 0.00 O ATOM 2161 OE2 GLU A 133 -9.058 12.070 -17.027 1.00 0.00 O ATOM 2162 OXT GLU A 133 -13.604 8.209 -19.206 1.00 0.00 O ATOM 0 H GLU A 133 -13.743 8.469 -16.630 1.00 0.00 H new ATOM 0 HA GLU A 133 -13.581 11.151 -17.814 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -11.330 9.104 -17.553 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -11.254 10.511 -18.595 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -11.578 11.973 -16.539 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -11.476 10.530 -15.550 1.00 0.00 H new TER 2169 GLU A 133