USER MOD reduce.3.24.130724 H: found=0, std=0, add=958, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 955 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 95 LYS NZ :NH3+ -113:sc= 0.396 (180deg=0) USER MOD Set 1.2: A 99 THR OG1 : rot 92:sc= 1.17 USER MOD Set 2.1: A 39 CYS SG : rot 89:sc= -2.65! USER MOD Set 2.2: A 63 ASN : amide:sc= -1.14! C(o=-3.8!,f=-5.7!) USER MOD Set 3.1: A 20 TYR OH : rot -136:sc= -2.23! USER MOD Set 3.2: A 43 HIS : no HD1:sc= -0.862 K(o=-3.1,f=-11!) USER MOD Set 4.1: A 27 ASN : amide:sc= 0.903! C(o=2.1!,f=-13!) USER MOD Set 4.2: A 29 SER OG : rot -74:sc= 1.22! USER MOD Set 5.1: A 22 HIS : no HE2:sc= -2! C(o=-3.9!,f=-12!) USER MOD Set 5.2: A 36 MET CE :methyl 167:sc= -0.782 (180deg=0) USER MOD Set 5.3: A 52 TYR OH : rot -178:sc= -1.11 USER MOD Set 6.1: A 19 ASN : amide:sc= -0.844 K(o=-3.5,f=-4.1!) USER MOD Set 6.2: A 44 LYS NZ :NH3+ 153:sc= -2.67! (180deg=-4.35!) USER MOD Set 7.1: A 5 SER OG : rot 180:sc= 0.0519 USER MOD Set 7.2: A 98 TYR OH : rot -129:sc= 0.056 USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.112 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -167:sc=-0.00966 (180deg=-0.196) USER MOD Single : A 7 ASN :FLIP amide:sc= -1.06 F(o=-3.3!,f=-1.1) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 CYS SG : rot 13:sc= 1.71 USER MOD Single : A 16 MET CE :methyl -166:sc= -2.52 (180deg=-3.31!) USER MOD Single : A 17 THR OG1 : rot 64:sc= 0.0543! USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -92:sc= 0.57 USER MOD Single : A 33 SER OG : rot -102:sc= 1 USER MOD Single : A 34 SER OG : rot 180:sc= 0.0104 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 65 THR OG1 : rot 82:sc= -0.885! USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 99:sc= 1.18 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 CYS SG : rot -107:sc= 0.444 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 86 MET CE :methyl -156:sc= -0.076 (180deg=-0.413) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 CYS SG : rot 180:sc= -0.603 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -0.0254 K(o=-0.025,f=-1.7) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 69:sc= 0.0794 USER MOD Single : A 110 GLN : amide:sc= -0.527 X(o=-0.53,f=-0.53) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 166:sc=-0.00361 (180deg=-0.149) USER MOD Single : A 116 THR OG1 : rot -4:sc=-0.00954 USER MOD Single : A 117 LYS NZ :NH3+ -155:sc= -0.945 (180deg=-1.76) USER MOD Single : A 118 LYS NZ :NH3+ 164:sc= -0.0116 (180deg=-0.349) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.789 17.976 6.501 1.00 0.00 N ATOM 2 CA GLY A 1 8.413 18.577 7.714 1.00 0.00 C ATOM 3 C GLY A 1 8.296 17.601 8.881 1.00 0.00 C ATOM 4 O GLY A 1 8.000 16.421 8.687 1.00 0.00 O ATOM 0 H1 GLY A 1 8.473 17.987 5.717 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.510 16.995 6.704 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.948 18.526 6.234 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.461 18.807 7.521 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.921 19.518 7.961 1.00 0.00 H new ATOM 10 N PRO A 2 8.512 18.072 10.082 1.00 0.00 N ATOM 11 CA PRO A 2 8.417 17.220 11.294 1.00 0.00 C ATOM 12 C PRO A 2 6.964 16.842 11.556 1.00 0.00 C ATOM 13 O PRO A 2 6.670 15.816 12.172 1.00 0.00 O ATOM 14 CB PRO A 2 8.990 18.088 12.442 1.00 0.00 C ATOM 15 CG PRO A 2 9.385 19.417 11.837 1.00 0.00 C ATOM 16 CD PRO A 2 8.851 19.461 10.397 1.00 0.00 C ATOM 0 HA PRO A 2 8.966 16.284 11.192 1.00 0.00 H new ATOM 0 HB2 PRO A 2 8.247 18.227 13.228 1.00 0.00 H new ATOM 0 HB3 PRO A 2 9.851 17.602 12.900 1.00 0.00 H new ATOM 0 HG2 PRO A 2 8.973 20.239 12.422 1.00 0.00 H new ATOM 0 HG3 PRO A 2 10.469 19.532 11.845 1.00 0.00 H new ATOM 0 HD2 PRO A 2 7.978 20.109 10.318 1.00 0.00 H new ATOM 0 HD3 PRO A 2 9.601 19.851 9.709 1.00 0.00 H new ATOM 24 N LEU A 3 6.065 17.695 11.080 1.00 0.00 N ATOM 25 CA LEU A 3 4.635 17.481 11.257 1.00 0.00 C ATOM 26 C LEU A 3 4.051 16.740 10.060 1.00 0.00 C ATOM 27 O LEU A 3 2.899 16.310 10.090 1.00 0.00 O ATOM 28 CB LEU A 3 3.940 18.841 11.426 1.00 0.00 C ATOM 29 CG LEU A 3 4.461 19.530 12.701 1.00 0.00 C ATOM 30 CD1 LEU A 3 3.874 20.948 12.817 1.00 0.00 C ATOM 31 CD2 LEU A 3 4.066 18.698 13.941 1.00 0.00 C ATOM 0 H LEU A 3 6.303 18.544 10.567 1.00 0.00 H new ATOM 0 HA LEU A 3 4.472 16.872 12.146 1.00 0.00 H new ATOM 0 HB2 LEU A 3 4.131 19.470 10.556 1.00 0.00 H new ATOM 0 HB3 LEU A 3 2.860 18.704 11.489 1.00 0.00 H new ATOM 0 HG LEU A 3 5.547 19.602 12.645 1.00 0.00 H new ATOM 0 HD11 LEU A 3 4.250 21.424 13.722 1.00 0.00 H new ATOM 0 HD12 LEU A 3 4.169 21.536 11.948 1.00 0.00 H new ATOM 0 HD13 LEU A 3 2.787 20.889 12.863 1.00 0.00 H new ATOM 0 HD21 LEU A 3 4.436 19.188 14.841 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.980 18.616 13.993 1.00 0.00 H new ATOM 0 HD23 LEU A 3 4.502 17.702 13.865 1.00 0.00 H new ATOM 43 N GLY A 4 4.858 16.583 9.011 1.00 0.00 N ATOM 44 CA GLY A 4 4.420 15.882 7.802 1.00 0.00 C ATOM 45 C GLY A 4 5.148 14.550 7.662 1.00 0.00 C ATOM 46 O GLY A 4 5.794 14.284 6.649 1.00 0.00 O ATOM 0 H GLY A 4 5.816 16.930 8.973 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.344 15.712 7.843 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.612 16.502 6.926 1.00 0.00 H new ATOM 50 N SER A 5 5.048 13.723 8.695 1.00 0.00 N ATOM 51 CA SER A 5 5.707 12.422 8.683 1.00 0.00 C ATOM 52 C SER A 5 5.124 11.530 7.593 1.00 0.00 C ATOM 53 O SER A 5 5.843 11.048 6.719 1.00 0.00 O ATOM 54 CB SER A 5 5.523 11.742 10.039 1.00 0.00 C ATOM 55 OG SER A 5 5.817 10.357 9.914 1.00 0.00 O ATOM 0 H SER A 5 4.522 13.927 9.545 1.00 0.00 H new ATOM 0 HA SER A 5 6.767 12.575 8.482 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.179 12.199 10.780 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.500 11.878 10.391 1.00 0.00 H new ATOM 0 HG SER A 5 5.701 9.918 10.783 1.00 0.00 H new ATOM 61 N LYS A 6 3.814 11.319 7.653 1.00 0.00 N ATOM 62 CA LYS A 6 3.135 10.484 6.669 1.00 0.00 C ATOM 63 C LYS A 6 2.875 11.264 5.386 1.00 0.00 C ATOM 64 O LYS A 6 2.471 10.692 4.374 1.00 0.00 O ATOM 65 CB LYS A 6 1.811 9.982 7.250 1.00 0.00 C ATOM 66 CG LYS A 6 0.898 11.177 7.550 1.00 0.00 C ATOM 67 CD LYS A 6 -0.388 10.689 8.223 1.00 0.00 C ATOM 68 CE LYS A 6 -1.358 11.861 8.403 1.00 0.00 C ATOM 69 NZ LYS A 6 -0.799 12.822 9.394 1.00 0.00 N ATOM 0 H LYS A 6 3.203 11.712 8.369 1.00 0.00 H new ATOM 0 HA LYS A 6 3.775 9.635 6.430 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.325 9.307 6.545 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.994 9.413 8.161 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.413 11.886 8.198 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.659 11.705 6.627 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.853 9.910 7.618 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -0.156 10.245 9.191 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -1.522 12.361 7.448 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -2.327 11.496 8.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.539 13.494 9.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.460 12.302 10.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.007 13.342 8.965 1.00 0.00 H new ATOM 83 N ASN A 7 3.107 12.569 5.438 1.00 0.00 N ATOM 84 CA ASN A 7 2.891 13.415 4.273 1.00 0.00 C ATOM 85 C ASN A 7 3.782 12.949 3.129 1.00 0.00 C ATOM 86 O ASN A 7 3.355 12.899 1.976 1.00 0.00 O ATOM 87 CB ASN A 7 3.212 14.869 4.618 1.00 0.00 C ATOM 88 CG ASN A 7 2.149 15.428 5.558 1.00 0.00 C ATOM 89 OD1 ASN A 7 1.379 14.608 6.220 1.00 0.00 O flip ATOM 90 ND2 ASN A 7 2.019 16.645 5.696 1.00 0.00 N flip ATOM 0 H ASN A 7 3.442 13.061 6.267 1.00 0.00 H new ATOM 0 HA ASN A 7 1.847 13.344 3.969 1.00 0.00 H new ATOM 0 HB2 ASN A 7 4.194 14.932 5.087 1.00 0.00 H new ATOM 0 HB3 ASN A 7 3.255 15.467 3.707 1.00 0.00 H new ATOM 0 HD21 ASN A 7 2.622 17.284 5.178 1.00 0.00 H new ATOM 0 HD22 ASN A 7 1.309 17.014 6.328 1.00 0.00 H new ATOM 97 N MET A 8 5.014 12.591 3.466 1.00 0.00 N ATOM 98 CA MET A 8 5.962 12.105 2.471 1.00 0.00 C ATOM 99 C MET A 8 5.442 10.823 1.828 1.00 0.00 C ATOM 100 O MET A 8 5.453 10.677 0.605 1.00 0.00 O ATOM 101 CB MET A 8 7.310 11.840 3.150 1.00 0.00 C ATOM 102 CG MET A 8 8.321 11.274 2.146 1.00 0.00 C ATOM 103 SD MET A 8 8.589 12.463 0.810 1.00 0.00 S ATOM 104 CE MET A 8 9.335 11.309 -0.366 1.00 0.00 C ATOM 0 H MET A 8 5.380 12.628 4.417 1.00 0.00 H new ATOM 0 HA MET A 8 6.085 12.857 1.692 1.00 0.00 H new ATOM 0 HB2 MET A 8 7.695 12.765 3.579 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.176 11.139 3.974 1.00 0.00 H new ATOM 0 HG2 MET A 8 9.264 11.059 2.648 1.00 0.00 H new ATOM 0 HG3 MET A 8 7.954 10.332 1.739 1.00 0.00 H new ATOM 0 HE1 MET A 8 9.586 11.838 -1.285 1.00 0.00 H new ATOM 0 HE2 MET A 8 10.240 10.883 0.067 1.00 0.00 H new ATOM 0 HE3 MET A 8 8.629 10.509 -0.589 1.00 0.00 H new ATOM 114 N LEU A 9 4.986 9.901 2.665 1.00 0.00 N ATOM 115 CA LEU A 9 4.458 8.634 2.196 1.00 0.00 C ATOM 116 C LEU A 9 3.168 8.852 1.429 1.00 0.00 C ATOM 117 O LEU A 9 2.924 8.214 0.405 1.00 0.00 O ATOM 118 CB LEU A 9 4.178 7.736 3.390 1.00 0.00 C ATOM 119 CG LEU A 9 5.488 7.316 4.049 1.00 0.00 C ATOM 120 CD1 LEU A 9 5.182 6.602 5.370 1.00 0.00 C ATOM 121 CD2 LEU A 9 6.287 6.369 3.125 1.00 0.00 C ATOM 0 H LEU A 9 4.973 10.012 3.679 1.00 0.00 H new ATOM 0 HA LEU A 9 5.191 8.168 1.537 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.551 8.261 4.111 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.624 6.854 3.069 1.00 0.00 H new ATOM 0 HG LEU A 9 6.088 8.207 4.235 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.115 6.300 5.845 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.640 7.278 6.032 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.572 5.720 5.174 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.217 6.082 3.615 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.695 5.477 2.919 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.512 6.879 2.188 1.00 0.00 H new ATOM 133 N LEU A 10 2.339 9.750 1.949 1.00 0.00 N ATOM 134 CA LEU A 10 1.055 10.038 1.316 1.00 0.00 C ATOM 135 C LEU A 10 1.289 10.576 -0.090 1.00 0.00 C ATOM 136 O LEU A 10 0.680 10.116 -1.056 1.00 0.00 O ATOM 137 CB LEU A 10 0.272 11.058 2.168 1.00 0.00 C ATOM 138 CG LEU A 10 -1.043 11.451 1.471 1.00 0.00 C ATOM 139 CD1 LEU A 10 -1.892 10.199 1.208 1.00 0.00 C ATOM 140 CD2 LEU A 10 -1.828 12.434 2.362 1.00 0.00 C ATOM 0 H LEU A 10 2.528 10.286 2.796 1.00 0.00 H new ATOM 0 HA LEU A 10 0.467 9.123 1.246 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.057 10.632 3.148 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.882 11.946 2.333 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.813 11.930 0.520 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.821 10.486 0.715 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.338 9.512 0.568 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.120 9.709 2.154 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.759 12.711 1.866 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.053 11.959 3.317 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.228 13.328 2.533 1.00 0.00 H new ATOM 152 N GLU A 11 2.189 11.540 -0.191 1.00 0.00 N ATOM 153 CA GLU A 11 2.520 12.147 -1.475 1.00 0.00 C ATOM 154 C GLU A 11 3.028 11.088 -2.436 1.00 0.00 C ATOM 155 O GLU A 11 2.560 10.939 -3.567 1.00 0.00 O ATOM 156 CB GLU A 11 3.637 13.154 -1.238 1.00 0.00 C ATOM 157 CG GLU A 11 3.859 13.990 -2.495 1.00 0.00 C ATOM 158 CD GLU A 11 4.999 14.975 -2.265 1.00 0.00 C ATOM 159 OE1 GLU A 11 6.141 14.552 -2.331 1.00 0.00 O ATOM 160 OE2 GLU A 11 4.715 16.138 -2.027 1.00 0.00 O ATOM 0 H GLU A 11 2.706 11.922 0.601 1.00 0.00 H new ATOM 0 HA GLU A 11 1.635 12.623 -1.899 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.382 13.803 -0.400 1.00 0.00 H new ATOM 0 HB3 GLU A 11 4.556 12.634 -0.970 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.092 13.340 -3.339 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.947 14.529 -2.750 1.00 0.00 H new ATOM 167 N TRP A 12 4.001 10.376 -1.927 1.00 0.00 N ATOM 168 CA TRP A 12 4.681 9.302 -2.621 1.00 0.00 C ATOM 169 C TRP A 12 3.694 8.238 -3.116 1.00 0.00 C ATOM 170 O TRP A 12 3.589 7.986 -4.318 1.00 0.00 O ATOM 171 CB TRP A 12 5.637 8.751 -1.576 1.00 0.00 C ATOM 172 CG TRP A 12 6.434 7.590 -2.038 1.00 0.00 C ATOM 173 CD1 TRP A 12 7.523 7.641 -2.832 1.00 0.00 C ATOM 174 CD2 TRP A 12 6.259 6.208 -1.657 1.00 0.00 C ATOM 175 NE1 TRP A 12 8.025 6.357 -2.971 1.00 0.00 N ATOM 176 CE2 TRP A 12 7.272 5.436 -2.264 1.00 0.00 C ATOM 177 CE3 TRP A 12 5.313 5.564 -0.853 1.00 0.00 C ATOM 178 CZ2 TRP A 12 7.347 4.057 -2.070 1.00 0.00 C ATOM 179 CZ3 TRP A 12 5.379 4.178 -0.652 1.00 0.00 C ATOM 180 CH2 TRP A 12 6.396 3.425 -1.261 1.00 0.00 C ATOM 0 H TRP A 12 4.357 10.531 -0.984 1.00 0.00 H new ATOM 0 HA TRP A 12 5.197 9.638 -3.521 1.00 0.00 H new ATOM 0 HB2 TRP A 12 6.317 9.545 -1.266 1.00 0.00 H new ATOM 0 HB3 TRP A 12 5.066 8.459 -0.695 1.00 0.00 H new ATOM 0 HD1 TRP A 12 7.934 8.532 -3.283 1.00 0.00 H new ATOM 0 HE1 TRP A 12 8.848 6.120 -3.526 1.00 0.00 H new ATOM 0 HE3 TRP A 12 4.527 6.138 -0.384 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 8.132 3.482 -2.540 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 4.646 3.688 -0.028 1.00 0.00 H new ATOM 0 HH2 TRP A 12 6.444 2.357 -1.105 1.00 0.00 H new ATOM 191 N CYS A 13 2.964 7.629 -2.186 1.00 0.00 N ATOM 192 CA CYS A 13 1.986 6.602 -2.534 1.00 0.00 C ATOM 193 C CYS A 13 0.991 7.131 -3.576 1.00 0.00 C ATOM 194 O CYS A 13 0.683 6.458 -4.553 1.00 0.00 O ATOM 195 CB CYS A 13 1.235 6.186 -1.261 1.00 0.00 C ATOM 196 SG CYS A 13 2.168 4.895 -0.400 1.00 0.00 S ATOM 0 H CYS A 13 3.031 7.828 -1.188 1.00 0.00 H new ATOM 0 HA CYS A 13 2.503 5.744 -2.963 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.100 7.048 -0.608 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.240 5.821 -1.516 1.00 0.00 H new ATOM 0 HG CYS A 13 3.368 4.823 -0.896 1.00 0.00 H new ATOM 202 N ARG A 14 0.498 8.339 -3.335 1.00 0.00 N ATOM 203 CA ARG A 14 -0.474 8.965 -4.234 1.00 0.00 C ATOM 204 C ARG A 14 0.105 9.099 -5.633 1.00 0.00 C ATOM 205 O ARG A 14 -0.544 8.787 -6.632 1.00 0.00 O ATOM 206 CB ARG A 14 -0.824 10.357 -3.723 1.00 0.00 C ATOM 207 CG ARG A 14 -2.071 10.877 -4.450 1.00 0.00 C ATOM 208 CD ARG A 14 -2.389 12.295 -3.966 1.00 0.00 C ATOM 209 NE ARG A 14 -2.765 12.279 -2.557 1.00 0.00 N ATOM 210 CZ ARG A 14 -2.913 13.409 -1.870 1.00 0.00 C ATOM 211 NH1 ARG A 14 -1.860 14.053 -1.441 1.00 0.00 N ATOM 212 NH2 ARG A 14 -4.106 13.874 -1.621 1.00 0.00 N ATOM 0 H ARG A 14 0.752 8.907 -2.527 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.365 8.337 -4.266 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.004 10.326 -2.648 1.00 0.00 H new ATOM 0 HB3 ARG A 14 0.013 11.036 -3.886 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.903 10.878 -5.527 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -2.918 10.218 -4.260 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -1.521 12.938 -4.110 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -3.200 12.716 -4.561 1.00 0.00 H new ATOM 0 HE ARG A 14 -2.917 11.385 -2.090 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -0.927 13.689 -1.633 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -1.972 14.919 -0.914 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -4.929 13.371 -1.953 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -4.216 14.740 -1.094 1.00 0.00 H new ATOM 226 N ALA A 15 1.327 9.591 -5.680 1.00 0.00 N ATOM 227 CA ALA A 15 2.016 9.806 -6.947 1.00 0.00 C ATOM 228 C ALA A 15 2.115 8.516 -7.756 1.00 0.00 C ATOM 229 O ALA A 15 2.199 8.548 -8.984 1.00 0.00 O ATOM 230 CB ALA A 15 3.420 10.347 -6.685 1.00 0.00 C ATOM 0 H ALA A 15 1.869 9.852 -4.856 1.00 0.00 H new ATOM 0 HA ALA A 15 1.438 10.528 -7.524 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.932 10.506 -7.634 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.351 11.292 -6.147 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.981 9.629 -6.087 1.00 0.00 H new ATOM 236 N MET A 16 2.124 7.384 -7.063 1.00 0.00 N ATOM 237 CA MET A 16 2.229 6.081 -7.719 1.00 0.00 C ATOM 238 C MET A 16 0.874 5.374 -7.738 1.00 0.00 C ATOM 239 O MET A 16 0.757 4.253 -8.237 1.00 0.00 O ATOM 240 CB MET A 16 3.272 5.234 -6.974 1.00 0.00 C ATOM 241 CG MET A 16 4.681 5.610 -7.455 1.00 0.00 C ATOM 242 SD MET A 16 4.985 7.371 -7.150 1.00 0.00 S ATOM 243 CE MET A 16 5.843 7.194 -5.567 1.00 0.00 C ATOM 0 H MET A 16 2.060 7.339 -6.046 1.00 0.00 H new ATOM 0 HA MET A 16 2.543 6.219 -8.754 1.00 0.00 H new ATOM 0 HB2 MET A 16 3.188 5.398 -5.900 1.00 0.00 H new ATOM 0 HB3 MET A 16 3.088 4.174 -7.150 1.00 0.00 H new ATOM 0 HG2 MET A 16 5.426 5.008 -6.935 1.00 0.00 H new ATOM 0 HG3 MET A 16 4.782 5.393 -8.518 1.00 0.00 H new ATOM 0 HE1 MET A 16 5.904 8.165 -5.076 1.00 0.00 H new ATOM 0 HE2 MET A 16 5.294 6.499 -4.931 1.00 0.00 H new ATOM 0 HE3 MET A 16 6.849 6.811 -5.739 1.00 0.00 H new ATOM 253 N THR A 17 -0.148 6.032 -7.185 1.00 0.00 N ATOM 254 CA THR A 17 -1.496 5.460 -7.138 1.00 0.00 C ATOM 255 C THR A 17 -2.407 6.095 -8.191 1.00 0.00 C ATOM 256 O THR A 17 -3.528 5.631 -8.411 1.00 0.00 O ATOM 257 CB THR A 17 -2.103 5.681 -5.756 1.00 0.00 C ATOM 258 OG1 THR A 17 -1.223 5.168 -4.768 1.00 0.00 O ATOM 259 CG2 THR A 17 -3.448 4.967 -5.659 1.00 0.00 C ATOM 0 H THR A 17 -0.068 6.958 -6.765 1.00 0.00 H new ATOM 0 HA THR A 17 -1.414 4.393 -7.347 1.00 0.00 H new ATOM 0 HB THR A 17 -2.253 6.749 -5.596 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.382 5.672 -4.785 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.875 5.129 -4.670 1.00 0.00 H new ATOM 0 HG22 THR A 17 -4.125 5.362 -6.416 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.305 3.899 -5.822 1.00 0.00 H new ATOM 267 N ARG A 18 -1.915 7.140 -8.847 1.00 0.00 N ATOM 268 CA ARG A 18 -2.679 7.814 -9.887 1.00 0.00 C ATOM 269 C ARG A 18 -2.825 6.882 -11.089 1.00 0.00 C ATOM 270 O ARG A 18 -3.888 6.777 -11.698 1.00 0.00 O ATOM 271 CB ARG A 18 -1.924 9.078 -10.284 1.00 0.00 C ATOM 272 CG ARG A 18 -0.578 8.674 -10.889 1.00 0.00 C ATOM 273 CD ARG A 18 0.332 9.887 -10.988 1.00 0.00 C ATOM 274 NE ARG A 18 -0.198 10.819 -11.976 1.00 0.00 N ATOM 275 CZ ARG A 18 -0.006 12.125 -11.859 1.00 0.00 C ATOM 276 NH1 ARG A 18 1.083 12.666 -12.327 1.00 0.00 N ATOM 277 NH2 ARG A 18 -0.904 12.862 -11.267 1.00 0.00 N ATOM 0 H ARG A 18 -0.991 7.538 -8.676 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.674 8.077 -9.529 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.504 9.655 -11.004 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.771 9.716 -9.414 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.109 7.906 -10.273 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -0.730 8.241 -11.878 1.00 0.00 H new ATOM 0 HD2 ARG A 18 0.409 10.376 -10.017 1.00 0.00 H new ATOM 0 HD3 ARG A 18 1.338 9.577 -11.269 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.726 10.459 -12.771 1.00 0.00 H new ATOM 0 HH11 ARG A 18 1.786 12.084 -12.783 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.232 13.671 -12.238 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -1.752 12.433 -10.895 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -0.759 13.867 -11.175 1.00 0.00 H new ATOM 291 N ASN A 19 -1.720 6.218 -11.408 1.00 0.00 N ATOM 292 CA ASN A 19 -1.671 5.286 -12.531 1.00 0.00 C ATOM 293 C ASN A 19 -2.802 4.276 -12.401 1.00 0.00 C ATOM 294 O ASN A 19 -3.328 3.775 -13.392 1.00 0.00 O ATOM 295 CB ASN A 19 -0.329 4.547 -12.538 1.00 0.00 C ATOM 296 CG ASN A 19 0.770 5.455 -13.077 1.00 0.00 C ATOM 297 OD1 ASN A 19 0.483 6.456 -13.731 1.00 0.00 O ATOM 298 ND2 ASN A 19 2.020 5.163 -12.838 1.00 0.00 N ATOM 0 H ASN A 19 -0.839 6.308 -10.901 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.780 5.842 -13.462 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.079 4.222 -11.528 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.403 3.650 -13.152 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.762 5.766 -13.194 1.00 0.00 H new ATOM 0 HD22 ASN A 19 2.255 4.332 -12.295 1.00 0.00 H new ATOM 305 N TYR A 20 -3.159 3.986 -11.157 1.00 0.00 N ATOM 306 CA TYR A 20 -4.221 3.036 -10.856 1.00 0.00 C ATOM 307 C TYR A 20 -5.570 3.742 -10.781 1.00 0.00 C ATOM 308 O TYR A 20 -5.641 4.936 -10.492 1.00 0.00 O ATOM 309 CB TYR A 20 -3.922 2.367 -9.518 1.00 0.00 C ATOM 310 CG TYR A 20 -2.730 1.458 -9.673 1.00 0.00 C ATOM 311 CD1 TYR A 20 -1.436 1.979 -9.580 1.00 0.00 C ATOM 312 CD2 TYR A 20 -2.922 0.095 -9.906 1.00 0.00 C ATOM 313 CE1 TYR A 20 -0.329 1.130 -9.721 1.00 0.00 C ATOM 314 CE2 TYR A 20 -1.822 -0.754 -10.048 1.00 0.00 C ATOM 315 CZ TYR A 20 -0.524 -0.236 -9.955 1.00 0.00 C ATOM 316 OH TYR A 20 0.564 -1.069 -10.093 1.00 0.00 O ATOM 0 H TYR A 20 -2.723 4.400 -10.333 1.00 0.00 H new ATOM 0 HA TYR A 20 -4.265 2.290 -11.649 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.722 3.122 -8.757 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.788 1.797 -9.182 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -1.289 3.034 -9.400 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -3.923 -0.304 -9.977 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.672 1.529 -9.649 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -1.972 -1.808 -10.229 1.00 0.00 H new ATOM 0 HH TYR A 20 0.418 -1.676 -10.849 1.00 0.00 H new ATOM 326 N GLU A 21 -6.645 3.001 -11.065 1.00 0.00 N ATOM 327 CA GLU A 21 -7.997 3.570 -11.043 1.00 0.00 C ATOM 328 C GLU A 21 -8.839 2.895 -9.979 1.00 0.00 C ATOM 329 O GLU A 21 -8.424 1.892 -9.405 1.00 0.00 O ATOM 330 CB GLU A 21 -8.665 3.373 -12.402 1.00 0.00 C ATOM 331 CG GLU A 21 -7.853 4.099 -13.482 1.00 0.00 C ATOM 332 CD GLU A 21 -6.673 3.233 -13.914 1.00 0.00 C ATOM 333 OE1 GLU A 21 -6.476 2.188 -13.317 1.00 0.00 O ATOM 334 OE2 GLU A 21 -5.982 3.629 -14.837 1.00 0.00 O ATOM 0 H GLU A 21 -6.607 2.012 -11.311 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.918 4.634 -10.819 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.732 2.310 -12.635 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.684 3.759 -12.377 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.488 4.319 -14.340 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.494 5.054 -13.099 1.00 0.00 H new ATOM 341 N HIS A 22 -10.016 3.463 -9.717 1.00 0.00 N ATOM 342 CA HIS A 22 -10.914 2.915 -8.705 1.00 0.00 C ATOM 343 C HIS A 22 -10.238 3.035 -7.340 1.00 0.00 C ATOM 344 O HIS A 22 -10.755 2.593 -6.319 1.00 0.00 O ATOM 345 CB HIS A 22 -11.249 1.448 -9.047 1.00 0.00 C ATOM 346 CG HIS A 22 -12.325 0.912 -8.141 1.00 0.00 C ATOM 347 ND1 HIS A 22 -12.167 0.848 -6.771 1.00 0.00 N ATOM 348 CD2 HIS A 22 -13.561 0.374 -8.399 1.00 0.00 C ATOM 349 CE1 HIS A 22 -13.276 0.293 -6.256 1.00 0.00 C ATOM 350 NE2 HIS A 22 -14.162 -0.017 -7.206 1.00 0.00 N ATOM 0 H HIS A 22 -10.367 4.297 -10.189 1.00 0.00 H new ATOM 0 HA HIS A 22 -11.852 3.469 -8.681 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -11.575 1.379 -10.085 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -10.352 0.836 -8.953 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -11.353 1.166 -6.244 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -14.001 0.270 -9.380 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -13.432 0.119 -5.202 1.00 0.00 H new ATOM 358 N VAL A 23 -9.065 3.660 -7.341 1.00 0.00 N ATOM 359 CA VAL A 23 -8.290 3.864 -6.119 1.00 0.00 C ATOM 360 C VAL A 23 -8.013 5.351 -5.911 1.00 0.00 C ATOM 361 O VAL A 23 -7.487 6.025 -6.796 1.00 0.00 O ATOM 362 CB VAL A 23 -6.967 3.107 -6.256 1.00 0.00 C ATOM 363 CG1 VAL A 23 -6.096 3.304 -5.013 1.00 0.00 C ATOM 364 CG2 VAL A 23 -7.250 1.613 -6.443 1.00 0.00 C ATOM 0 H VAL A 23 -8.626 4.037 -8.181 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.851 3.495 -5.260 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.433 3.498 -7.122 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.161 2.757 -5.133 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.881 4.365 -4.883 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.624 2.931 -4.136 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.308 1.074 -6.541 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.797 1.235 -5.579 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.847 1.466 -7.343 1.00 0.00 H new ATOM 374 N ASP A 24 -8.361 5.846 -4.731 1.00 0.00 N ATOM 375 CA ASP A 24 -8.142 7.256 -4.387 1.00 0.00 C ATOM 376 C ASP A 24 -7.673 7.364 -2.942 1.00 0.00 C ATOM 377 O ASP A 24 -8.453 7.166 -2.009 1.00 0.00 O ATOM 378 CB ASP A 24 -9.432 8.054 -4.572 1.00 0.00 C ATOM 379 CG ASP A 24 -9.179 9.526 -4.266 1.00 0.00 C ATOM 380 OD1 ASP A 24 -8.415 10.138 -4.995 1.00 0.00 O ATOM 381 OD2 ASP A 24 -9.745 10.017 -3.305 1.00 0.00 O ATOM 0 H ASP A 24 -8.797 5.296 -3.991 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.378 7.665 -5.048 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.795 7.943 -5.594 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.208 7.665 -3.913 1.00 0.00 H new ATOM 386 N ILE A 25 -6.386 7.643 -2.761 1.00 0.00 N ATOM 387 CA ILE A 25 -5.812 7.731 -1.420 1.00 0.00 C ATOM 388 C ILE A 25 -5.977 9.117 -0.792 1.00 0.00 C ATOM 389 O ILE A 25 -5.114 9.986 -0.915 1.00 0.00 O ATOM 390 CB ILE A 25 -4.339 7.319 -1.478 1.00 0.00 C ATOM 391 CG1 ILE A 25 -4.273 5.849 -1.912 1.00 0.00 C ATOM 392 CG2 ILE A 25 -3.699 7.474 -0.100 1.00 0.00 C ATOM 393 CD1 ILE A 25 -2.823 5.437 -2.192 1.00 0.00 C ATOM 0 H ILE A 25 -5.724 7.811 -3.519 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.360 7.047 -0.773 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.801 7.951 -2.185 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.694 5.214 -1.132 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.879 5.700 -2.806 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.651 7.179 -0.150 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -3.768 8.514 0.218 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.221 6.840 0.617 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.795 4.391 -2.499 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.415 6.060 -2.988 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.227 5.566 -1.289 1.00 0.00 H new ATOM 405 N GLN A 26 -7.101 9.284 -0.086 1.00 0.00 N ATOM 406 CA GLN A 26 -7.418 10.530 0.617 1.00 0.00 C ATOM 407 C GLN A 26 -7.200 10.322 2.111 1.00 0.00 C ATOM 408 O GLN A 26 -7.415 11.218 2.927 1.00 0.00 O ATOM 409 CB GLN A 26 -8.872 10.934 0.356 1.00 0.00 C ATOM 410 CG GLN A 26 -9.815 9.856 0.891 1.00 0.00 C ATOM 411 CD GLN A 26 -11.253 10.199 0.526 1.00 0.00 C ATOM 412 OE1 GLN A 26 -11.799 11.185 1.018 1.00 0.00 O ATOM 413 NE2 GLN A 26 -11.904 9.439 -0.312 1.00 0.00 N ATOM 0 H GLN A 26 -7.814 8.561 0.013 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.768 11.326 0.254 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.086 11.888 0.838 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.034 11.073 -0.713 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.546 8.886 0.474 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.714 9.777 1.973 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -11.449 8.622 -0.719 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -12.868 9.662 -0.560 1.00 0.00 H new ATOM 422 N ASN A 27 -6.763 9.119 2.443 1.00 0.00 N ATOM 423 CA ASN A 27 -6.493 8.744 3.821 1.00 0.00 C ATOM 424 C ASN A 27 -5.784 7.407 3.818 1.00 0.00 C ATOM 425 O ASN A 27 -5.535 6.834 2.757 1.00 0.00 O ATOM 426 CB ASN A 27 -7.791 8.645 4.629 1.00 0.00 C ATOM 427 CG ASN A 27 -7.480 8.630 6.126 1.00 0.00 C ATOM 428 OD1 ASN A 27 -7.177 7.577 6.689 1.00 0.00 O ATOM 429 ND2 ASN A 27 -7.544 9.742 6.808 1.00 0.00 N ATOM 0 H ASN A 27 -6.586 8.376 1.767 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.869 9.506 4.288 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -8.440 9.488 4.393 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -8.332 7.740 4.353 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -7.343 9.739 7.808 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -7.795 10.613 6.341 1.00 0.00 H new ATOM 436 N PHE A 28 -5.443 6.910 4.995 1.00 0.00 N ATOM 437 CA PHE A 28 -4.747 5.629 5.095 1.00 0.00 C ATOM 438 C PHE A 28 -5.702 4.540 5.561 1.00 0.00 C ATOM 439 O PHE A 28 -5.363 3.359 5.559 1.00 0.00 O ATOM 440 CB PHE A 28 -3.587 5.764 6.084 1.00 0.00 C ATOM 441 CG PHE A 28 -2.446 6.498 5.420 1.00 0.00 C ATOM 442 CD1 PHE A 28 -1.572 5.805 4.574 1.00 0.00 C ATOM 443 CD2 PHE A 28 -2.265 7.869 5.640 1.00 0.00 C ATOM 444 CE1 PHE A 28 -0.518 6.479 3.951 1.00 0.00 C ATOM 445 CE2 PHE A 28 -1.208 8.544 5.017 1.00 0.00 C ATOM 446 CZ PHE A 28 -0.335 7.849 4.171 1.00 0.00 C ATOM 0 H PHE A 28 -5.632 7.365 5.888 1.00 0.00 H new ATOM 0 HA PHE A 28 -4.363 5.352 4.113 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.913 6.304 6.973 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.258 4.778 6.413 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.712 4.748 4.403 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.940 8.406 6.290 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.156 5.942 3.299 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.066 9.601 5.189 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.479 8.370 3.689 1.00 0.00 H new ATOM 456 N SER A 29 -6.884 4.958 5.991 1.00 0.00 N ATOM 457 CA SER A 29 -7.892 4.033 6.511 1.00 0.00 C ATOM 458 C SER A 29 -9.005 3.734 5.511 1.00 0.00 C ATOM 459 O SER A 29 -9.127 2.614 5.012 1.00 0.00 O ATOM 460 CB SER A 29 -8.515 4.646 7.762 1.00 0.00 C ATOM 461 OG SER A 29 -9.194 5.845 7.408 1.00 0.00 O ATOM 0 H SER A 29 -7.173 5.936 5.992 1.00 0.00 H new ATOM 0 HA SER A 29 -7.387 3.091 6.726 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.210 3.942 8.219 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.742 4.856 8.502 1.00 0.00 H new ATOM 0 HG SER A 29 -8.539 6.552 7.230 1.00 0.00 H new ATOM 467 N SER A 30 -9.837 4.736 5.259 1.00 0.00 N ATOM 468 CA SER A 30 -10.976 4.578 4.362 1.00 0.00 C ATOM 469 C SER A 30 -10.563 4.168 2.959 1.00 0.00 C ATOM 470 O SER A 30 -11.230 3.353 2.323 1.00 0.00 O ATOM 471 CB SER A 30 -11.751 5.892 4.277 1.00 0.00 C ATOM 472 OG SER A 30 -12.887 5.709 3.442 1.00 0.00 O ATOM 0 H SER A 30 -9.745 5.668 5.663 1.00 0.00 H new ATOM 0 HA SER A 30 -11.597 3.784 4.776 1.00 0.00 H new ATOM 0 HB2 SER A 30 -12.063 6.210 5.272 1.00 0.00 H new ATOM 0 HB3 SER A 30 -11.113 6.680 3.876 1.00 0.00 H new ATOM 0 HG SER A 30 -13.389 6.548 3.385 1.00 0.00 H new ATOM 478 N SER A 31 -9.494 4.754 2.462 1.00 0.00 N ATOM 479 CA SER A 31 -9.039 4.447 1.115 1.00 0.00 C ATOM 480 C SER A 31 -8.340 3.094 1.058 1.00 0.00 C ATOM 481 O SER A 31 -7.810 2.705 0.017 1.00 0.00 O ATOM 482 CB SER A 31 -8.095 5.543 0.635 1.00 0.00 C ATOM 483 OG SER A 31 -8.858 6.688 0.288 1.00 0.00 O ATOM 0 H SER A 31 -8.927 5.439 2.961 1.00 0.00 H new ATOM 0 HA SER A 31 -9.910 4.399 0.462 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.377 5.791 1.417 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.522 5.197 -0.225 1.00 0.00 H new ATOM 0 HG SER A 31 -9.078 6.657 -0.666 1.00 0.00 H new ATOM 489 N TRP A 32 -8.335 2.385 2.183 1.00 0.00 N ATOM 490 CA TRP A 32 -7.688 1.076 2.266 1.00 0.00 C ATOM 491 C TRP A 32 -8.695 -0.036 2.563 1.00 0.00 C ATOM 492 O TRP A 32 -8.359 -1.217 2.485 1.00 0.00 O ATOM 493 CB TRP A 32 -6.649 1.132 3.371 1.00 0.00 C ATOM 494 CG TRP A 32 -5.534 2.016 2.948 1.00 0.00 C ATOM 495 CD1 TRP A 32 -5.629 3.353 2.791 1.00 0.00 C ATOM 496 CD2 TRP A 32 -4.167 1.657 2.632 1.00 0.00 C ATOM 497 NE1 TRP A 32 -4.400 3.837 2.387 1.00 0.00 N ATOM 498 CE2 TRP A 32 -3.464 2.830 2.282 1.00 0.00 C ATOM 499 CE3 TRP A 32 -3.478 0.438 2.615 1.00 0.00 C ATOM 500 CZ2 TRP A 32 -2.118 2.792 1.930 1.00 0.00 C ATOM 501 CZ3 TRP A 32 -2.122 0.396 2.255 1.00 0.00 C ATOM 502 CH2 TRP A 32 -1.444 1.570 1.917 1.00 0.00 C ATOM 0 H TRP A 32 -8.772 2.694 3.052 1.00 0.00 H new ATOM 0 HA TRP A 32 -7.226 0.849 1.305 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -7.098 1.508 4.290 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -6.274 0.131 3.585 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -6.517 3.945 2.954 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.208 4.819 2.190 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -3.992 -0.474 2.880 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -1.599 3.702 1.669 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -1.600 -0.549 2.239 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -0.399 1.532 1.646 1.00 0.00 H new ATOM 513 N SER A 33 -9.916 0.340 2.925 1.00 0.00 N ATOM 514 CA SER A 33 -10.939 -0.641 3.252 1.00 0.00 C ATOM 515 C SER A 33 -11.143 -1.630 2.105 1.00 0.00 C ATOM 516 O SER A 33 -11.387 -2.812 2.336 1.00 0.00 O ATOM 517 CB SER A 33 -12.255 0.071 3.545 1.00 0.00 C ATOM 518 OG SER A 33 -12.126 0.827 4.743 1.00 0.00 O ATOM 0 H SER A 33 -10.219 1.311 2.999 1.00 0.00 H new ATOM 0 HA SER A 33 -10.610 -1.196 4.131 1.00 0.00 H new ATOM 0 HB2 SER A 33 -12.519 0.726 2.715 1.00 0.00 H new ATOM 0 HB3 SER A 33 -13.060 -0.657 3.646 1.00 0.00 H new ATOM 0 HG SER A 33 -12.564 0.351 5.479 1.00 0.00 H new ATOM 524 N SER A 34 -11.053 -1.145 0.870 1.00 0.00 N ATOM 525 CA SER A 34 -11.240 -2.004 -0.296 1.00 0.00 C ATOM 526 C SER A 34 -10.091 -2.993 -0.461 1.00 0.00 C ATOM 527 O SER A 34 -10.256 -4.048 -1.076 1.00 0.00 O ATOM 528 CB SER A 34 -11.341 -1.144 -1.559 1.00 0.00 C ATOM 529 OG SER A 34 -12.070 0.038 -1.266 1.00 0.00 O ATOM 0 H SER A 34 -10.853 -0.169 0.651 1.00 0.00 H new ATOM 0 HA SER A 34 -12.160 -2.569 -0.144 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.344 -0.890 -1.920 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.836 -1.702 -2.354 1.00 0.00 H new ATOM 0 HG SER A 34 -12.134 0.591 -2.073 1.00 0.00 H new ATOM 535 N GLY A 35 -8.920 -2.637 0.051 1.00 0.00 N ATOM 536 CA GLY A 35 -7.751 -3.496 -0.096 1.00 0.00 C ATOM 537 C GLY A 35 -7.130 -3.247 -1.461 1.00 0.00 C ATOM 538 O GLY A 35 -6.035 -3.720 -1.765 1.00 0.00 O ATOM 0 H GLY A 35 -8.754 -1.772 0.565 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.027 -3.287 0.692 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.037 -4.543 0.003 1.00 0.00 H new ATOM 542 N MET A 36 -7.851 -2.478 -2.263 1.00 0.00 N ATOM 543 CA MET A 36 -7.412 -2.124 -3.600 1.00 0.00 C ATOM 544 C MET A 36 -6.096 -1.357 -3.538 1.00 0.00 C ATOM 545 O MET A 36 -5.292 -1.411 -4.464 1.00 0.00 O ATOM 546 CB MET A 36 -8.488 -1.262 -4.271 1.00 0.00 C ATOM 547 CG MET A 36 -9.830 -2.008 -4.287 1.00 0.00 C ATOM 548 SD MET A 36 -9.893 -3.111 -5.724 1.00 0.00 S ATOM 549 CE MET A 36 -10.886 -2.037 -6.793 1.00 0.00 C ATOM 0 H MET A 36 -8.755 -2.083 -2.004 1.00 0.00 H new ATOM 0 HA MET A 36 -7.256 -3.033 -4.181 1.00 0.00 H new ATOM 0 HB2 MET A 36 -8.594 -0.318 -3.736 1.00 0.00 H new ATOM 0 HB3 MET A 36 -8.187 -1.019 -5.290 1.00 0.00 H new ATOM 0 HG2 MET A 36 -9.949 -2.583 -3.369 1.00 0.00 H new ATOM 0 HG3 MET A 36 -10.654 -1.295 -4.326 1.00 0.00 H new ATOM 0 HE1 MET A 36 -10.858 -2.414 -7.815 1.00 0.00 H new ATOM 0 HE2 MET A 36 -11.917 -2.024 -6.439 1.00 0.00 H new ATOM 0 HE3 MET A 36 -10.482 -1.025 -6.769 1.00 0.00 H new ATOM 559 N ALA A 37 -5.894 -0.628 -2.446 1.00 0.00 N ATOM 560 CA ALA A 37 -4.676 0.159 -2.283 1.00 0.00 C ATOM 561 C ALA A 37 -3.445 -0.729 -2.074 1.00 0.00 C ATOM 562 O ALA A 37 -2.429 -0.552 -2.748 1.00 0.00 O ATOM 563 CB ALA A 37 -4.827 1.116 -1.104 1.00 0.00 C ATOM 0 H ALA A 37 -6.550 -0.565 -1.668 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.526 0.726 -3.202 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.913 1.699 -0.990 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -5.666 1.788 -1.286 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -5.010 0.545 -0.193 1.00 0.00 H new ATOM 569 N PHE A 38 -3.526 -1.674 -1.137 1.00 0.00 N ATOM 570 CA PHE A 38 -2.388 -2.554 -0.860 1.00 0.00 C ATOM 571 C PHE A 38 -1.953 -3.311 -2.117 1.00 0.00 C ATOM 572 O PHE A 38 -0.761 -3.437 -2.391 1.00 0.00 O ATOM 573 CB PHE A 38 -2.746 -3.561 0.271 1.00 0.00 C ATOM 574 CG PHE A 38 -2.127 -3.119 1.584 1.00 0.00 C ATOM 575 CD1 PHE A 38 -0.735 -3.016 1.683 1.00 0.00 C ATOM 576 CD2 PHE A 38 -2.931 -2.819 2.689 1.00 0.00 C ATOM 577 CE1 PHE A 38 -0.147 -2.614 2.885 1.00 0.00 C ATOM 578 CE2 PHE A 38 -2.337 -2.417 3.897 1.00 0.00 C ATOM 579 CZ PHE A 38 -0.946 -2.316 3.993 1.00 0.00 C ATOM 0 H PHE A 38 -4.352 -1.849 -0.565 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.556 -1.931 -0.533 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.829 -3.630 0.376 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.387 -4.556 0.008 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.115 -3.247 0.830 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -4.006 -2.896 2.614 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.927 -2.533 2.958 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.955 -2.186 4.752 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.489 -2.008 4.922 1.00 0.00 H new ATOM 589 N CYS A 39 -2.916 -3.823 -2.860 1.00 0.00 N ATOM 590 CA CYS A 39 -2.605 -4.572 -4.071 1.00 0.00 C ATOM 591 C CYS A 39 -2.130 -3.644 -5.189 1.00 0.00 C ATOM 592 O CYS A 39 -1.153 -3.932 -5.880 1.00 0.00 O ATOM 593 CB CYS A 39 -3.838 -5.341 -4.540 1.00 0.00 C ATOM 594 SG CYS A 39 -5.064 -4.175 -5.180 1.00 0.00 S ATOM 0 H CYS A 39 -3.911 -3.738 -2.653 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.802 -5.270 -3.836 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -3.561 -6.057 -5.314 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.260 -5.913 -3.714 1.00 0.00 H new ATOM 0 HG CYS A 39 -4.850 -3.972 -6.446 1.00 0.00 H new ATOM 600 N ALA A 40 -2.848 -2.545 -5.363 1.00 0.00 N ATOM 601 CA ALA A 40 -2.537 -1.575 -6.411 1.00 0.00 C ATOM 602 C ALA A 40 -1.158 -0.938 -6.233 1.00 0.00 C ATOM 603 O ALA A 40 -0.421 -0.756 -7.202 1.00 0.00 O ATOM 604 CB ALA A 40 -3.595 -0.475 -6.395 1.00 0.00 C ATOM 0 H ALA A 40 -3.655 -2.298 -4.790 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.532 -2.108 -7.362 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.373 0.255 -7.173 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.577 -0.912 -6.577 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.592 0.019 -5.423 1.00 0.00 H new ATOM 610 N LEU A 41 -0.826 -0.582 -5.001 1.00 0.00 N ATOM 611 CA LEU A 41 0.456 0.058 -4.711 1.00 0.00 C ATOM 612 C LEU A 41 1.622 -0.875 -5.053 1.00 0.00 C ATOM 613 O LEU A 41 2.597 -0.461 -5.683 1.00 0.00 O ATOM 614 CB LEU A 41 0.479 0.443 -3.227 1.00 0.00 C ATOM 615 CG LEU A 41 1.791 1.146 -2.854 1.00 0.00 C ATOM 616 CD1 LEU A 41 1.917 2.480 -3.607 1.00 0.00 C ATOM 617 CD2 LEU A 41 1.787 1.409 -1.345 1.00 0.00 C ATOM 0 H LEU A 41 -1.422 -0.723 -4.186 1.00 0.00 H new ATOM 0 HA LEU A 41 0.569 0.952 -5.325 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.363 1.099 -3.006 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.356 -0.451 -2.615 1.00 0.00 H new ATOM 0 HG LEU A 41 2.635 0.513 -3.128 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.853 2.966 -3.332 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.907 2.294 -4.681 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.080 3.127 -3.343 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.713 1.909 -1.060 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.938 2.043 -1.088 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.707 0.462 -0.811 1.00 0.00 H new ATOM 629 N ILE A 42 1.502 -2.131 -4.648 1.00 0.00 N ATOM 630 CA ILE A 42 2.534 -3.132 -4.917 1.00 0.00 C ATOM 631 C ILE A 42 2.670 -3.419 -6.418 1.00 0.00 C ATOM 632 O ILE A 42 3.779 -3.554 -6.935 1.00 0.00 O ATOM 633 CB ILE A 42 2.185 -4.429 -4.151 1.00 0.00 C ATOM 634 CG1 ILE A 42 2.614 -4.299 -2.678 1.00 0.00 C ATOM 635 CG2 ILE A 42 2.853 -5.661 -4.782 1.00 0.00 C ATOM 636 CD1 ILE A 42 4.143 -4.491 -2.522 1.00 0.00 C ATOM 0 H ILE A 42 0.698 -2.486 -4.130 1.00 0.00 H new ATOM 0 HA ILE A 42 3.494 -2.743 -4.576 1.00 0.00 H new ATOM 0 HB ILE A 42 1.106 -4.569 -4.209 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.327 -3.319 -2.298 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.088 -5.040 -2.076 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.583 -6.552 -4.215 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.515 -5.771 -5.812 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.936 -5.536 -4.767 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.417 -4.394 -1.471 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.424 -5.482 -2.880 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.666 -3.733 -3.105 1.00 0.00 H new ATOM 648 N HIS A 43 1.538 -3.539 -7.094 1.00 0.00 N ATOM 649 CA HIS A 43 1.530 -3.840 -8.524 1.00 0.00 C ATOM 650 C HIS A 43 2.315 -2.794 -9.314 1.00 0.00 C ATOM 651 O HIS A 43 2.541 -2.947 -10.516 1.00 0.00 O ATOM 652 CB HIS A 43 0.080 -3.881 -9.014 1.00 0.00 C ATOM 653 CG HIS A 43 0.041 -4.193 -10.485 1.00 0.00 C ATOM 654 ND1 HIS A 43 -0.354 -3.258 -11.429 1.00 0.00 N ATOM 655 CD2 HIS A 43 0.330 -5.336 -11.187 1.00 0.00 C ATOM 656 CE1 HIS A 43 -0.296 -3.849 -12.635 1.00 0.00 C ATOM 657 NE2 HIS A 43 0.115 -5.117 -12.546 1.00 0.00 N ATOM 0 H HIS A 43 0.612 -3.433 -6.679 1.00 0.00 H new ATOM 0 HA HIS A 43 2.009 -4.806 -8.682 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -0.478 -4.635 -8.459 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -0.404 -2.923 -8.824 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.672 -6.264 -10.752 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -0.551 -3.358 -13.563 1.00 0.00 H new ATOM 0 HE2 HIS A 43 0.244 -5.782 -13.309 1.00 0.00 H new ATOM 665 N LYS A 44 2.706 -1.728 -8.629 1.00 0.00 N ATOM 666 CA LYS A 44 3.446 -0.646 -9.266 1.00 0.00 C ATOM 667 C LYS A 44 4.919 -1.005 -9.447 1.00 0.00 C ATOM 668 O LYS A 44 5.547 -0.621 -10.436 1.00 0.00 O ATOM 669 CB LYS A 44 3.325 0.635 -8.414 1.00 0.00 C ATOM 670 CG LYS A 44 3.496 1.900 -9.296 1.00 0.00 C ATOM 671 CD LYS A 44 4.959 2.356 -9.286 1.00 0.00 C ATOM 672 CE LYS A 44 5.212 3.272 -10.479 1.00 0.00 C ATOM 673 NZ LYS A 44 4.134 4.295 -10.545 1.00 0.00 N ATOM 0 H LYS A 44 2.524 -1.589 -7.635 1.00 0.00 H new ATOM 0 HA LYS A 44 3.017 -0.479 -10.254 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.353 0.659 -7.920 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.081 0.628 -7.629 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.181 1.686 -10.317 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.855 2.700 -8.926 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.182 2.881 -8.357 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.621 1.491 -9.330 1.00 0.00 H new ATOM 0 HE2 LYS A 44 6.184 3.756 -10.382 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.236 2.691 -11.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 4.496 5.151 -11.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 3.331 3.918 -11.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 3.821 4.532 -9.582 1.00 0.00 H new ATOM 687 N PHE A 45 5.471 -1.704 -8.464 1.00 0.00 N ATOM 688 CA PHE A 45 6.885 -2.077 -8.492 1.00 0.00 C ATOM 689 C PHE A 45 7.069 -3.516 -8.973 1.00 0.00 C ATOM 690 O PHE A 45 8.169 -3.913 -9.347 1.00 0.00 O ATOM 691 CB PHE A 45 7.470 -1.930 -7.080 1.00 0.00 C ATOM 692 CG PHE A 45 6.822 -0.758 -6.367 1.00 0.00 C ATOM 693 CD1 PHE A 45 7.012 0.550 -6.837 1.00 0.00 C ATOM 694 CD2 PHE A 45 6.034 -0.981 -5.228 1.00 0.00 C ATOM 695 CE1 PHE A 45 6.413 1.627 -6.167 1.00 0.00 C ATOM 696 CE2 PHE A 45 5.438 0.093 -4.564 1.00 0.00 C ATOM 697 CZ PHE A 45 5.628 1.398 -5.032 1.00 0.00 C ATOM 0 H PHE A 45 4.966 -2.025 -7.638 1.00 0.00 H new ATOM 0 HA PHE A 45 7.404 -1.418 -9.188 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.306 -2.846 -6.513 1.00 0.00 H new ATOM 0 HB3 PHE A 45 8.548 -1.779 -7.138 1.00 0.00 H new ATOM 0 HD1 PHE A 45 7.618 0.727 -7.713 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.888 -1.987 -4.863 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.558 2.635 -6.528 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.830 -0.084 -3.689 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.168 2.229 -4.517 1.00 0.00 H new ATOM 707 N PHE A 46 5.994 -4.300 -8.935 1.00 0.00 N ATOM 708 CA PHE A 46 6.058 -5.707 -9.340 1.00 0.00 C ATOM 709 C PHE A 46 4.994 -6.033 -10.403 1.00 0.00 C ATOM 710 O PHE A 46 3.838 -6.255 -10.060 1.00 0.00 O ATOM 711 CB PHE A 46 5.836 -6.553 -8.090 1.00 0.00 C ATOM 712 CG PHE A 46 6.949 -6.262 -7.117 1.00 0.00 C ATOM 713 CD1 PHE A 46 8.171 -6.925 -7.238 1.00 0.00 C ATOM 714 CD2 PHE A 46 6.765 -5.315 -6.103 1.00 0.00 C ATOM 715 CE1 PHE A 46 9.209 -6.648 -6.344 1.00 0.00 C ATOM 716 CE2 PHE A 46 7.801 -5.035 -5.209 1.00 0.00 C ATOM 717 CZ PHE A 46 9.022 -5.702 -5.327 1.00 0.00 C ATOM 0 H PHE A 46 5.072 -3.989 -8.630 1.00 0.00 H new ATOM 0 HA PHE A 46 7.029 -5.921 -9.787 1.00 0.00 H new ATOM 0 HB2 PHE A 46 4.870 -6.322 -7.642 1.00 0.00 H new ATOM 0 HB3 PHE A 46 5.823 -7.612 -8.346 1.00 0.00 H new ATOM 0 HD1 PHE A 46 8.315 -7.653 -8.023 1.00 0.00 H new ATOM 0 HD2 PHE A 46 5.820 -4.800 -6.012 1.00 0.00 H new ATOM 0 HE1 PHE A 46 10.154 -7.162 -6.437 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.658 -4.304 -4.427 1.00 0.00 H new ATOM 0 HZ PHE A 46 9.823 -5.489 -4.634 1.00 0.00 H new ATOM 727 N PRO A 47 5.340 -6.064 -11.683 1.00 0.00 N ATOM 728 CA PRO A 47 4.350 -6.374 -12.761 1.00 0.00 C ATOM 729 C PRO A 47 4.001 -7.863 -12.802 1.00 0.00 C ATOM 730 O PRO A 47 2.852 -8.238 -13.040 1.00 0.00 O ATOM 731 CB PRO A 47 5.045 -5.937 -14.076 1.00 0.00 C ATOM 732 CG PRO A 47 6.396 -5.393 -13.690 1.00 0.00 C ATOM 733 CD PRO A 47 6.677 -5.823 -12.247 1.00 0.00 C ATOM 0 HA PRO A 47 3.406 -5.856 -12.596 1.00 0.00 H new ATOM 0 HB2 PRO A 47 5.148 -6.781 -14.759 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.456 -5.179 -14.592 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.167 -5.774 -14.360 1.00 0.00 H new ATOM 0 HG3 PRO A 47 6.409 -4.306 -13.775 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.294 -6.721 -12.211 1.00 0.00 H new ATOM 0 HD3 PRO A 47 7.209 -5.048 -11.696 1.00 0.00 H new ATOM 741 N GLU A 48 5.004 -8.696 -12.561 1.00 0.00 N ATOM 742 CA GLU A 48 4.803 -10.137 -12.564 1.00 0.00 C ATOM 743 C GLU A 48 3.954 -10.515 -11.360 1.00 0.00 C ATOM 744 O GLU A 48 3.648 -11.686 -11.128 1.00 0.00 O ATOM 745 CB GLU A 48 6.161 -10.853 -12.514 1.00 0.00 C ATOM 746 CG GLU A 48 6.918 -10.607 -13.826 1.00 0.00 C ATOM 747 CD GLU A 48 8.309 -11.234 -13.758 1.00 0.00 C ATOM 748 OE1 GLU A 48 8.663 -11.732 -12.703 1.00 0.00 O ATOM 749 OE2 GLU A 48 9.004 -11.194 -14.761 1.00 0.00 O ATOM 0 H GLU A 48 5.960 -8.400 -12.362 1.00 0.00 H new ATOM 0 HA GLU A 48 4.290 -10.442 -13.477 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.746 -10.487 -11.670 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.015 -11.922 -12.361 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.360 -11.031 -14.661 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.002 -9.536 -14.010 1.00 0.00 H new ATOM 756 N ALA A 49 3.594 -9.489 -10.594 1.00 0.00 N ATOM 757 CA ALA A 49 2.790 -9.662 -9.386 1.00 0.00 C ATOM 758 C ALA A 49 1.442 -10.286 -9.687 1.00 0.00 C ATOM 759 O ALA A 49 1.223 -11.478 -9.471 1.00 0.00 O ATOM 760 CB ALA A 49 2.541 -8.300 -8.742 1.00 0.00 C ATOM 0 H ALA A 49 3.849 -8.521 -10.790 1.00 0.00 H new ATOM 0 HA ALA A 49 3.345 -10.323 -8.720 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.941 -8.428 -7.841 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.495 -7.841 -8.481 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.009 -7.658 -9.444 1.00 0.00 H new ATOM 766 N PHE A 50 0.545 -9.460 -10.204 1.00 0.00 N ATOM 767 CA PHE A 50 -0.787 -9.898 -10.552 1.00 0.00 C ATOM 768 C PHE A 50 -1.463 -8.839 -11.412 1.00 0.00 C ATOM 769 O PHE A 50 -1.075 -7.671 -11.399 1.00 0.00 O ATOM 770 CB PHE A 50 -1.615 -10.147 -9.286 1.00 0.00 C ATOM 771 CG PHE A 50 -1.360 -9.046 -8.278 1.00 0.00 C ATOM 772 CD1 PHE A 50 -2.006 -7.810 -8.407 1.00 0.00 C ATOM 773 CD2 PHE A 50 -0.477 -9.264 -7.212 1.00 0.00 C ATOM 774 CE1 PHE A 50 -1.769 -6.795 -7.470 1.00 0.00 C ATOM 775 CE2 PHE A 50 -0.241 -8.249 -6.276 1.00 0.00 C ATOM 776 CZ PHE A 50 -0.886 -7.015 -6.405 1.00 0.00 C ATOM 0 H PHE A 50 0.724 -8.473 -10.391 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.718 -10.831 -11.112 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.675 -10.185 -9.536 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.355 -11.114 -8.855 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.686 -7.639 -9.228 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.022 -10.216 -7.112 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.268 -5.842 -7.569 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.439 -8.419 -5.455 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.703 -6.232 -5.684 1.00 0.00 H new ATOM 786 N ASP A 51 -2.491 -9.249 -12.137 1.00 0.00 N ATOM 787 CA ASP A 51 -3.232 -8.323 -12.978 1.00 0.00 C ATOM 788 C ASP A 51 -4.246 -7.564 -12.127 1.00 0.00 C ATOM 789 O ASP A 51 -5.366 -8.030 -11.915 1.00 0.00 O ATOM 790 CB ASP A 51 -3.959 -9.085 -14.088 1.00 0.00 C ATOM 791 CG ASP A 51 -2.962 -9.589 -15.127 1.00 0.00 C ATOM 792 OD1 ASP A 51 -1.839 -9.111 -15.125 1.00 0.00 O ATOM 793 OD2 ASP A 51 -3.337 -10.447 -15.911 1.00 0.00 O ATOM 0 H ASP A 51 -2.830 -10.211 -12.161 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.535 -7.618 -13.432 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.507 -9.926 -13.662 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.693 -8.435 -14.564 1.00 0.00 H new ATOM 798 N TYR A 52 -3.842 -6.398 -11.627 1.00 0.00 N ATOM 799 CA TYR A 52 -4.714 -5.586 -10.786 1.00 0.00 C ATOM 800 C TYR A 52 -6.015 -5.276 -11.496 1.00 0.00 C ATOM 801 O TYR A 52 -7.023 -4.967 -10.860 1.00 0.00 O ATOM 802 CB TYR A 52 -4.013 -4.271 -10.444 1.00 0.00 C ATOM 803 CG TYR A 52 -4.992 -3.307 -9.799 1.00 0.00 C ATOM 804 CD1 TYR A 52 -5.373 -3.481 -8.464 1.00 0.00 C ATOM 805 CD2 TYR A 52 -5.525 -2.248 -10.546 1.00 0.00 C ATOM 806 CE1 TYR A 52 -6.285 -2.596 -7.877 1.00 0.00 C ATOM 807 CE2 TYR A 52 -6.437 -1.363 -9.957 1.00 0.00 C ATOM 808 CZ TYR A 52 -6.817 -1.537 -8.622 1.00 0.00 C ATOM 809 OH TYR A 52 -7.716 -0.666 -8.040 1.00 0.00 O ATOM 0 H TYR A 52 -2.919 -5.997 -11.790 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.932 -6.148 -9.878 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -3.179 -4.460 -9.768 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.596 -3.827 -11.348 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.964 -4.297 -7.887 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -5.232 -2.114 -11.577 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.579 -2.731 -6.847 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -6.847 -0.547 -10.533 1.00 0.00 H new ATOM 0 HH TYR A 52 -8.010 -0.008 -8.704 1.00 0.00 H new ATOM 819 N ALA A 53 -5.989 -5.357 -12.810 1.00 0.00 N ATOM 820 CA ALA A 53 -7.177 -5.076 -13.600 1.00 0.00 C ATOM 821 C ALA A 53 -8.087 -6.296 -13.647 1.00 0.00 C ATOM 822 O ALA A 53 -9.287 -6.178 -13.894 1.00 0.00 O ATOM 823 CB ALA A 53 -6.767 -4.684 -15.018 1.00 0.00 C ATOM 0 H ALA A 53 -5.165 -5.613 -13.354 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.721 -4.253 -13.136 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.658 -4.474 -15.609 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -6.137 -3.795 -14.982 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.213 -5.503 -15.476 1.00 0.00 H new ATOM 829 N GLU A 54 -7.507 -7.469 -13.420 1.00 0.00 N ATOM 830 CA GLU A 54 -8.265 -8.715 -13.448 1.00 0.00 C ATOM 831 C GLU A 54 -8.997 -8.928 -12.133 1.00 0.00 C ATOM 832 O GLU A 54 -9.988 -9.656 -12.075 1.00 0.00 O ATOM 833 CB GLU A 54 -7.296 -9.874 -13.659 1.00 0.00 C ATOM 834 CG GLU A 54 -8.065 -11.164 -13.958 1.00 0.00 C ATOM 835 CD GLU A 54 -7.082 -12.299 -14.242 1.00 0.00 C ATOM 836 OE1 GLU A 54 -5.908 -12.122 -13.965 1.00 0.00 O ATOM 837 OE2 GLU A 54 -7.521 -13.328 -14.731 1.00 0.00 O ATOM 0 H GLU A 54 -6.515 -7.584 -13.215 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.995 -8.665 -14.256 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.620 -9.646 -14.484 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.680 -10.008 -12.770 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.700 -11.424 -13.111 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.722 -11.016 -14.815 1.00 0.00 H new ATOM 844 N LEU A 55 -8.505 -8.290 -11.078 1.00 0.00 N ATOM 845 CA LEU A 55 -9.115 -8.420 -9.762 1.00 0.00 C ATOM 846 C LEU A 55 -10.327 -7.509 -9.624 1.00 0.00 C ATOM 847 O LEU A 55 -10.428 -6.480 -10.294 1.00 0.00 O ATOM 848 CB LEU A 55 -8.069 -8.076 -8.701 1.00 0.00 C ATOM 849 CG LEU A 55 -6.986 -9.171 -8.684 1.00 0.00 C ATOM 850 CD1 LEU A 55 -5.761 -8.685 -7.898 1.00 0.00 C ATOM 851 CD2 LEU A 55 -7.535 -10.462 -8.042 1.00 0.00 C ATOM 0 H LEU A 55 -7.688 -7.680 -11.108 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.460 -9.445 -9.628 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.620 -7.107 -8.917 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.540 -7.998 -7.721 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.694 -9.385 -9.712 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.000 -9.465 -7.891 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.358 -7.789 -8.370 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.054 -8.455 -6.874 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.757 -11.226 -8.038 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.846 -10.255 -7.018 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.390 -10.819 -8.616 1.00 0.00 H new ATOM 863 N ASP A 56 -11.252 -7.904 -8.746 1.00 0.00 N ATOM 864 CA ASP A 56 -12.473 -7.135 -8.510 1.00 0.00 C ATOM 865 C ASP A 56 -12.566 -6.723 -7.033 1.00 0.00 C ATOM 866 O ASP A 56 -11.807 -7.225 -6.203 1.00 0.00 O ATOM 867 CB ASP A 56 -13.690 -8.007 -8.901 1.00 0.00 C ATOM 868 CG ASP A 56 -14.219 -7.615 -10.280 1.00 0.00 C ATOM 869 OD1 ASP A 56 -13.441 -7.641 -11.220 1.00 0.00 O ATOM 870 OD2 ASP A 56 -15.392 -7.298 -10.371 1.00 0.00 O ATOM 0 H ASP A 56 -11.177 -8.754 -8.187 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.460 -6.228 -9.114 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -13.404 -9.059 -8.902 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.479 -7.892 -8.158 1.00 0.00 H new ATOM 875 N PRO A 57 -13.485 -5.843 -6.682 1.00 0.00 N ATOM 876 CA PRO A 57 -13.662 -5.401 -5.270 1.00 0.00 C ATOM 877 C PRO A 57 -14.356 -6.488 -4.463 1.00 0.00 C ATOM 878 O PRO A 57 -14.381 -6.455 -3.236 1.00 0.00 O ATOM 879 CB PRO A 57 -14.526 -4.120 -5.358 1.00 0.00 C ATOM 880 CG PRO A 57 -14.814 -3.898 -6.822 1.00 0.00 C ATOM 881 CD PRO A 57 -14.463 -5.188 -7.563 1.00 0.00 C ATOM 0 HA PRO A 57 -12.714 -5.207 -4.768 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -15.451 -4.237 -4.794 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -13.999 -3.266 -4.932 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -15.863 -3.644 -6.972 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -14.226 -3.064 -7.206 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -15.343 -5.812 -7.718 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -14.041 -4.982 -8.547 1.00 0.00 H new ATOM 889 N ALA A 58 -14.934 -7.440 -5.183 1.00 0.00 N ATOM 890 CA ALA A 58 -15.645 -8.548 -4.559 1.00 0.00 C ATOM 891 C ALA A 58 -14.666 -9.456 -3.822 1.00 0.00 C ATOM 892 O ALA A 58 -14.929 -9.900 -2.703 1.00 0.00 O ATOM 893 CB ALA A 58 -16.366 -9.357 -5.638 1.00 0.00 C ATOM 0 H ALA A 58 -14.924 -7.467 -6.203 1.00 0.00 H new ATOM 0 HA ALA A 58 -16.367 -8.149 -3.846 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -16.899 -10.187 -5.175 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -17.076 -8.716 -6.160 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -15.637 -9.746 -6.349 1.00 0.00 H new ATOM 899 N LYS A 59 -13.542 -9.730 -4.476 1.00 0.00 N ATOM 900 CA LYS A 59 -12.509 -10.598 -3.917 1.00 0.00 C ATOM 901 C LYS A 59 -11.566 -9.820 -2.993 1.00 0.00 C ATOM 902 O LYS A 59 -10.401 -9.598 -3.330 1.00 0.00 O ATOM 903 CB LYS A 59 -11.705 -11.214 -5.069 1.00 0.00 C ATOM 904 CG LYS A 59 -12.513 -12.339 -5.730 1.00 0.00 C ATOM 905 CD LYS A 59 -11.772 -12.857 -6.973 1.00 0.00 C ATOM 906 CE LYS A 59 -10.494 -13.594 -6.554 1.00 0.00 C ATOM 907 NZ LYS A 59 -10.025 -14.447 -7.678 1.00 0.00 N ATOM 0 H LYS A 59 -13.321 -9.361 -5.401 1.00 0.00 H new ATOM 0 HA LYS A 59 -12.990 -11.378 -3.326 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.463 -10.448 -5.805 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.759 -11.606 -4.695 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.665 -13.153 -5.022 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -13.500 -11.972 -6.011 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.419 -13.527 -7.539 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.522 -12.024 -7.631 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -9.720 -12.877 -6.280 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.687 -14.207 -5.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -9.158 -14.948 -7.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -10.762 -15.140 -7.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.826 -13.851 -8.507 1.00 0.00 H new ATOM 921 N ARG A 60 -12.075 -9.396 -1.839 1.00 0.00 N ATOM 922 CA ARG A 60 -11.266 -8.631 -0.894 1.00 0.00 C ATOM 923 C ARG A 60 -10.274 -9.514 -0.128 1.00 0.00 C ATOM 924 O ARG A 60 -9.086 -9.208 -0.062 1.00 0.00 O ATOM 925 CB ARG A 60 -12.181 -7.916 0.104 1.00 0.00 C ATOM 926 CG ARG A 60 -13.131 -6.997 -0.662 1.00 0.00 C ATOM 927 CD ARG A 60 -14.068 -6.288 0.317 1.00 0.00 C ATOM 928 NE ARG A 60 -13.318 -5.324 1.113 1.00 0.00 N ATOM 929 CZ ARG A 60 -13.894 -4.654 2.104 1.00 0.00 C ATOM 930 NH1 ARG A 60 -14.518 -5.298 3.050 1.00 0.00 N ATOM 931 NH2 ARG A 60 -13.831 -3.350 2.133 1.00 0.00 N ATOM 0 H ARG A 60 -13.034 -9.567 -1.538 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.689 -7.908 -1.470 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -12.748 -8.644 0.684 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -11.587 -7.338 0.812 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -12.561 -6.262 -1.231 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -13.711 -7.576 -1.380 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -14.863 -5.781 -0.230 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -14.546 -7.018 0.970 1.00 0.00 H new ATOM 0 HE ARG A 60 -12.333 -5.161 0.905 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -14.564 -6.317 3.029 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -14.960 -4.783 3.811 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -13.339 -2.847 1.395 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -14.273 -2.835 2.894 1.00 0.00 H new ATOM 945 N ARG A 61 -10.761 -10.599 0.464 1.00 0.00 N ATOM 946 CA ARG A 61 -9.885 -11.475 1.239 1.00 0.00 C ATOM 947 C ARG A 61 -8.652 -11.850 0.437 1.00 0.00 C ATOM 948 O ARG A 61 -7.527 -11.786 0.933 1.00 0.00 O ATOM 949 CB ARG A 61 -10.630 -12.756 1.600 1.00 0.00 C ATOM 950 CG ARG A 61 -11.701 -12.460 2.649 1.00 0.00 C ATOM 951 CD ARG A 61 -12.471 -13.745 2.959 1.00 0.00 C ATOM 952 NE ARG A 61 -13.457 -13.498 4.011 1.00 0.00 N ATOM 953 CZ ARG A 61 -13.254 -13.911 5.260 1.00 0.00 C ATOM 954 NH1 ARG A 61 -12.255 -13.428 5.948 1.00 0.00 N ATOM 955 NH2 ARG A 61 -14.045 -14.801 5.792 1.00 0.00 N ATOM 0 H ARG A 61 -11.738 -10.891 0.425 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.583 -10.941 2.140 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.090 -13.182 0.709 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -9.930 -13.498 1.983 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.240 -12.070 3.557 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.383 -11.693 2.283 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.970 -14.105 2.059 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -11.779 -14.526 3.274 1.00 0.00 H new ATOM 0 HE ARG A 61 -14.317 -12.999 3.783 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -11.634 -12.737 5.528 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -12.096 -13.742 6.905 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -14.821 -15.182 5.251 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -13.888 -15.116 6.749 1.00 0.00 H new ATOM 969 N HIS A 62 -8.883 -12.236 -0.801 1.00 0.00 N ATOM 970 CA HIS A 62 -7.805 -12.623 -1.690 1.00 0.00 C ATOM 971 C HIS A 62 -6.924 -11.423 -2.025 1.00 0.00 C ATOM 972 O HIS A 62 -5.712 -11.556 -2.153 1.00 0.00 O ATOM 973 CB HIS A 62 -8.402 -13.200 -2.970 1.00 0.00 C ATOM 974 CG HIS A 62 -8.977 -14.565 -2.695 1.00 0.00 C ATOM 975 ND1 HIS A 62 -8.174 -15.669 -2.453 1.00 0.00 N ATOM 976 CD2 HIS A 62 -10.272 -15.023 -2.627 1.00 0.00 C ATOM 977 CE1 HIS A 62 -8.983 -16.725 -2.253 1.00 0.00 C ATOM 978 NE2 HIS A 62 -10.272 -16.386 -2.347 1.00 0.00 N ATOM 0 H HIS A 62 -9.813 -12.290 -1.217 1.00 0.00 H new ATOM 0 HA HIS A 62 -7.186 -13.372 -1.196 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -9.180 -12.538 -3.350 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -7.635 -13.267 -3.742 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -11.155 -14.417 -2.769 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -8.633 -17.725 -2.042 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -11.082 -16.996 -2.237 1.00 0.00 H new ATOM 986 N ASN A 63 -7.546 -10.258 -2.167 1.00 0.00 N ATOM 987 CA ASN A 63 -6.814 -9.035 -2.501 1.00 0.00 C ATOM 988 C ASN A 63 -5.812 -8.698 -1.415 1.00 0.00 C ATOM 989 O ASN A 63 -4.661 -8.362 -1.695 1.00 0.00 O ATOM 990 CB ASN A 63 -7.801 -7.876 -2.641 1.00 0.00 C ATOM 991 CG ASN A 63 -7.077 -6.575 -2.990 1.00 0.00 C ATOM 992 OD1 ASN A 63 -6.338 -6.029 -2.167 1.00 0.00 O ATOM 993 ND2 ASN A 63 -7.262 -6.038 -4.165 1.00 0.00 N ATOM 0 H ASN A 63 -8.552 -10.131 -2.057 1.00 0.00 H new ATOM 0 HA ASN A 63 -6.282 -9.194 -3.439 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.532 -8.108 -3.416 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -8.353 -7.750 -1.710 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.795 -5.164 -4.405 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -7.874 -6.493 -4.843 1.00 0.00 H new ATOM 1000 N PHE A 64 -6.245 -8.815 -0.170 1.00 0.00 N ATOM 1001 CA PHE A 64 -5.347 -8.532 0.940 1.00 0.00 C ATOM 1002 C PHE A 64 -4.262 -9.605 1.014 1.00 0.00 C ATOM 1003 O PHE A 64 -3.072 -9.296 1.003 1.00 0.00 O ATOM 1004 CB PHE A 64 -6.131 -8.460 2.258 1.00 0.00 C ATOM 1005 CG PHE A 64 -6.830 -7.118 2.375 1.00 0.00 C ATOM 1006 CD1 PHE A 64 -6.113 -5.989 2.798 1.00 0.00 C ATOM 1007 CD2 PHE A 64 -8.189 -6.999 2.066 1.00 0.00 C ATOM 1008 CE1 PHE A 64 -6.755 -4.750 2.907 1.00 0.00 C ATOM 1009 CE2 PHE A 64 -8.832 -5.758 2.176 1.00 0.00 C ATOM 1010 CZ PHE A 64 -8.113 -4.634 2.596 1.00 0.00 C ATOM 0 H PHE A 64 -7.189 -9.097 0.095 1.00 0.00 H new ATOM 0 HA PHE A 64 -4.872 -7.565 0.776 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -6.864 -9.266 2.299 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -5.455 -8.601 3.101 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -5.064 -6.076 3.040 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -8.745 -7.866 1.742 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -6.200 -3.882 3.232 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -9.881 -5.670 1.937 1.00 0.00 H new ATOM 0 HZ PHE A 64 -8.607 -3.677 2.680 1.00 0.00 H new ATOM 1020 N THR A 65 -4.681 -10.863 1.074 1.00 0.00 N ATOM 1021 CA THR A 65 -3.722 -11.962 1.137 1.00 0.00 C ATOM 1022 C THR A 65 -2.724 -11.832 -0.004 1.00 0.00 C ATOM 1023 O THR A 65 -1.523 -12.029 0.176 1.00 0.00 O ATOM 1024 CB THR A 65 -4.428 -13.316 1.022 1.00 0.00 C ATOM 1025 OG1 THR A 65 -5.532 -13.359 1.914 1.00 0.00 O ATOM 1026 CG2 THR A 65 -3.441 -14.433 1.373 1.00 0.00 C ATOM 0 H THR A 65 -5.661 -11.146 1.080 1.00 0.00 H new ATOM 0 HA THR A 65 -3.211 -11.911 2.098 1.00 0.00 H new ATOM 0 HB THR A 65 -4.787 -13.452 0.002 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.302 -12.914 1.503 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.940 -15.398 1.292 1.00 0.00 H new ATOM 0 HG22 THR A 65 -2.597 -14.402 0.684 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.082 -14.294 2.393 1.00 0.00 H new ATOM 1034 N LEU A 66 -3.242 -11.512 -1.181 1.00 0.00 N ATOM 1035 CA LEU A 66 -2.414 -11.369 -2.369 1.00 0.00 C ATOM 1036 C LEU A 66 -1.366 -10.285 -2.175 1.00 0.00 C ATOM 1037 O LEU A 66 -0.194 -10.491 -2.482 1.00 0.00 O ATOM 1038 CB LEU A 66 -3.314 -10.997 -3.542 1.00 0.00 C ATOM 1039 CG LEU A 66 -2.510 -10.827 -4.837 1.00 0.00 C ATOM 1040 CD1 LEU A 66 -1.858 -12.159 -5.236 1.00 0.00 C ATOM 1041 CD2 LEU A 66 -3.471 -10.372 -5.941 1.00 0.00 C ATOM 0 H LEU A 66 -4.236 -11.346 -1.339 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.899 -12.310 -2.560 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.070 -11.770 -3.681 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.843 -10.071 -3.317 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.722 -10.088 -4.690 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.290 -12.025 -6.157 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.188 -12.489 -4.442 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.632 -12.910 -5.393 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.920 -10.244 -6.873 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.249 -11.123 -6.079 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.929 -9.424 -5.657 1.00 0.00 H new ATOM 1053 N ALA A 67 -1.786 -9.130 -1.682 1.00 0.00 N ATOM 1054 CA ALA A 67 -0.852 -8.046 -1.479 1.00 0.00 C ATOM 1055 C ALA A 67 0.218 -8.461 -0.490 1.00 0.00 C ATOM 1056 O ALA A 67 1.388 -8.110 -0.638 1.00 0.00 O ATOM 1057 CB ALA A 67 -1.580 -6.814 -0.955 1.00 0.00 C ATOM 0 H ALA A 67 -2.751 -8.926 -1.421 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.386 -7.805 -2.434 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.865 -6.005 -0.806 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.335 -6.503 -1.677 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.061 -7.052 -0.006 1.00 0.00 H new ATOM 1063 N PHE A 68 -0.192 -9.213 0.520 1.00 0.00 N ATOM 1064 CA PHE A 68 0.742 -9.672 1.533 1.00 0.00 C ATOM 1065 C PHE A 68 1.553 -10.867 1.027 1.00 0.00 C ATOM 1066 O PHE A 68 2.782 -10.847 1.069 1.00 0.00 O ATOM 1067 CB PHE A 68 -0.016 -10.041 2.815 1.00 0.00 C ATOM 1068 CG PHE A 68 -0.657 -8.799 3.422 1.00 0.00 C ATOM 1069 CD1 PHE A 68 0.143 -7.725 3.841 1.00 0.00 C ATOM 1070 CD2 PHE A 68 -2.051 -8.725 3.574 1.00 0.00 C ATOM 1071 CE1 PHE A 68 -0.448 -6.586 4.405 1.00 0.00 C ATOM 1072 CE2 PHE A 68 -2.639 -7.584 4.141 1.00 0.00 C ATOM 1073 CZ PHE A 68 -1.836 -6.515 4.554 1.00 0.00 C ATOM 0 H PHE A 68 -1.156 -9.515 0.659 1.00 0.00 H new ATOM 0 HA PHE A 68 1.438 -8.863 1.754 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.783 -10.783 2.592 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.668 -10.494 3.533 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.216 -7.776 3.729 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.672 -9.548 3.254 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.171 -5.761 4.725 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.711 -7.531 4.259 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.288 -5.635 4.988 1.00 0.00 H new ATOM 1083 N SER A 69 0.870 -11.900 0.545 1.00 0.00 N ATOM 1084 CA SER A 69 1.564 -13.082 0.040 1.00 0.00 C ATOM 1085 C SER A 69 2.467 -12.719 -1.136 1.00 0.00 C ATOM 1086 O SER A 69 3.494 -13.363 -1.362 1.00 0.00 O ATOM 1087 CB SER A 69 0.560 -14.149 -0.396 1.00 0.00 C ATOM 1088 OG SER A 69 -0.044 -14.723 0.758 1.00 0.00 O ATOM 0 H SER A 69 -0.148 -11.945 0.493 1.00 0.00 H new ATOM 0 HA SER A 69 2.179 -13.479 0.848 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.202 -13.708 -1.038 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.062 -14.920 -0.980 1.00 0.00 H new ATOM 0 HG SER A 69 -0.690 -15.407 0.483 1.00 0.00 H new ATOM 1094 N THR A 70 2.102 -11.669 -1.866 1.00 0.00 N ATOM 1095 CA THR A 70 2.921 -11.228 -2.987 1.00 0.00 C ATOM 1096 C THR A 70 4.130 -10.448 -2.483 1.00 0.00 C ATOM 1097 O THR A 70 5.254 -10.659 -2.940 1.00 0.00 O ATOM 1098 CB THR A 70 2.114 -10.359 -3.952 1.00 0.00 C ATOM 1099 OG1 THR A 70 1.046 -11.120 -4.496 1.00 0.00 O ATOM 1100 CG2 THR A 70 3.027 -9.879 -5.080 1.00 0.00 C ATOM 0 H THR A 70 1.260 -11.117 -1.705 1.00 0.00 H new ATOM 0 HA THR A 70 3.260 -12.115 -3.522 1.00 0.00 H new ATOM 0 HB THR A 70 1.708 -9.499 -3.419 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.220 -10.918 -4.010 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.456 -9.259 -5.771 1.00 0.00 H new ATOM 0 HG22 THR A 70 3.847 -9.296 -4.661 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.430 -10.740 -5.613 1.00 0.00 H new ATOM 1108 N ALA A 71 3.889 -9.541 -1.542 1.00 0.00 N ATOM 1109 CA ALA A 71 4.966 -8.728 -0.988 1.00 0.00 C ATOM 1110 C ALA A 71 5.978 -9.594 -0.249 1.00 0.00 C ATOM 1111 O ALA A 71 7.175 -9.304 -0.257 1.00 0.00 O ATOM 1112 CB ALA A 71 4.403 -7.676 -0.031 1.00 0.00 C ATOM 0 H ALA A 71 2.967 -9.351 -1.150 1.00 0.00 H new ATOM 0 HA ALA A 71 5.468 -8.231 -1.818 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.220 -7.078 0.374 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.711 -7.028 -0.569 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.877 -8.171 0.785 1.00 0.00 H new ATOM 1118 N GLU A 72 5.498 -10.652 0.397 1.00 0.00 N ATOM 1119 CA GLU A 72 6.387 -11.536 1.132 1.00 0.00 C ATOM 1120 C GLU A 72 7.203 -12.408 0.179 1.00 0.00 C ATOM 1121 O GLU A 72 8.419 -12.508 0.295 1.00 0.00 O ATOM 1122 CB GLU A 72 5.580 -12.427 2.086 1.00 0.00 C ATOM 1123 CG GLU A 72 4.992 -11.574 3.215 1.00 0.00 C ATOM 1124 CD GLU A 72 4.095 -12.426 4.109 1.00 0.00 C ATOM 1125 OE1 GLU A 72 3.990 -13.614 3.850 1.00 0.00 O ATOM 1126 OE2 GLU A 72 3.526 -11.879 5.040 1.00 0.00 O ATOM 0 H GLU A 72 4.512 -10.913 0.425 1.00 0.00 H new ATOM 0 HA GLU A 72 7.074 -10.918 1.710 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.780 -12.929 1.541 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.220 -13.206 2.501 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.796 -11.136 3.806 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.419 -10.747 2.795 1.00 0.00 H new ATOM 1133 N LYS A 73 6.536 -13.063 -0.755 1.00 0.00 N ATOM 1134 CA LYS A 73 7.247 -13.930 -1.676 1.00 0.00 C ATOM 1135 C LYS A 73 8.305 -13.151 -2.455 1.00 0.00 C ATOM 1136 O LYS A 73 9.425 -13.630 -2.645 1.00 0.00 O ATOM 1137 CB LYS A 73 6.252 -14.572 -2.652 1.00 0.00 C ATOM 1138 CG LYS A 73 6.950 -15.650 -3.520 1.00 0.00 C ATOM 1139 CD LYS A 73 7.306 -15.081 -4.906 1.00 0.00 C ATOM 1140 CE LYS A 73 6.075 -15.139 -5.825 1.00 0.00 C ATOM 1141 NZ LYS A 73 5.985 -16.494 -6.439 1.00 0.00 N ATOM 0 H LYS A 73 5.527 -13.014 -0.894 1.00 0.00 H new ATOM 0 HA LYS A 73 7.749 -14.707 -1.100 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.430 -15.023 -2.096 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.820 -13.805 -3.295 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.854 -15.998 -3.020 1.00 0.00 H new ATOM 0 HG3 LYS A 73 6.295 -16.514 -3.633 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.650 -14.051 -4.809 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.125 -15.651 -5.344 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.171 -14.924 -5.256 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.151 -14.379 -6.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.153 -16.538 -7.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.844 -16.681 -6.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.895 -17.209 -5.690 1.00 0.00 H new ATOM 1155 N LEU A 74 7.940 -11.957 -2.915 1.00 0.00 N ATOM 1156 CA LEU A 74 8.856 -11.131 -3.689 1.00 0.00 C ATOM 1157 C LEU A 74 9.900 -10.413 -2.830 1.00 0.00 C ATOM 1158 O LEU A 74 11.073 -10.379 -3.198 1.00 0.00 O ATOM 1159 CB LEU A 74 8.056 -10.091 -4.480 1.00 0.00 C ATOM 1160 CG LEU A 74 7.221 -10.777 -5.580 1.00 0.00 C ATOM 1161 CD1 LEU A 74 6.281 -9.748 -6.223 1.00 0.00 C ATOM 1162 CD2 LEU A 74 8.140 -11.377 -6.664 1.00 0.00 C ATOM 0 H LEU A 74 7.020 -11.543 -2.765 1.00 0.00 H new ATOM 0 HA LEU A 74 9.398 -11.802 -4.355 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.399 -9.539 -3.807 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.735 -9.366 -4.929 1.00 0.00 H new ATOM 0 HG LEU A 74 6.640 -11.581 -5.128 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.690 -10.231 -7.001 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.615 -9.339 -5.463 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.869 -8.942 -6.662 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.532 -11.857 -7.431 1.00 0.00 H new ATOM 0 HD22 LEU A 74 8.736 -10.584 -7.116 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.802 -12.115 -6.212 1.00 0.00 H new ATOM 1174 N ALA A 75 9.479 -9.799 -1.720 1.00 0.00 N ATOM 1175 CA ALA A 75 10.421 -9.040 -0.874 1.00 0.00 C ATOM 1176 C ALA A 75 10.464 -9.533 0.567 1.00 0.00 C ATOM 1177 O ALA A 75 11.119 -8.914 1.405 1.00 0.00 O ATOM 1178 CB ALA A 75 10.030 -7.562 -0.889 1.00 0.00 C ATOM 0 H ALA A 75 8.515 -9.808 -1.387 1.00 0.00 H new ATOM 0 HA ALA A 75 11.417 -9.188 -1.291 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.722 -6.996 -0.266 1.00 0.00 H new ATOM 0 HB2 ALA A 75 10.071 -7.185 -1.911 1.00 0.00 H new ATOM 0 HB3 ALA A 75 9.018 -7.450 -0.501 1.00 0.00 H new ATOM 1184 N ASP A 76 9.795 -10.642 0.870 1.00 0.00 N ATOM 1185 CA ASP A 76 9.821 -11.159 2.240 1.00 0.00 C ATOM 1186 C ASP A 76 9.591 -10.018 3.230 1.00 0.00 C ATOM 1187 O ASP A 76 10.224 -9.947 4.281 1.00 0.00 O ATOM 1188 CB ASP A 76 11.172 -11.816 2.499 1.00 0.00 C ATOM 1189 CG ASP A 76 11.149 -12.550 3.833 1.00 0.00 C ATOM 1190 OD1 ASP A 76 10.171 -12.406 4.551 1.00 0.00 O ATOM 1191 OD2 ASP A 76 12.109 -13.246 4.119 1.00 0.00 O ATOM 0 H ASP A 76 9.243 -11.188 0.209 1.00 0.00 H new ATOM 0 HA ASP A 76 9.029 -11.897 2.370 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.406 -12.514 1.695 1.00 0.00 H new ATOM 0 HB3 ASP A 76 11.958 -11.060 2.504 1.00 0.00 H new ATOM 1196 N CYS A 77 8.694 -9.114 2.849 1.00 0.00 N ATOM 1197 CA CYS A 77 8.373 -7.940 3.658 1.00 0.00 C ATOM 1198 C CYS A 77 7.871 -8.311 5.056 1.00 0.00 C ATOM 1199 O CYS A 77 8.040 -9.438 5.522 1.00 0.00 O ATOM 1200 CB CYS A 77 7.309 -7.109 2.930 1.00 0.00 C ATOM 1201 SG CYS A 77 7.393 -5.389 3.485 1.00 0.00 S ATOM 0 H CYS A 77 8.171 -9.172 1.975 1.00 0.00 H new ATOM 0 HA CYS A 77 9.289 -7.364 3.789 1.00 0.00 H new ATOM 0 HB2 CYS A 77 7.467 -7.162 1.853 1.00 0.00 H new ATOM 0 HB3 CYS A 77 6.318 -7.517 3.127 1.00 0.00 H new ATOM 0 HG CYS A 77 6.373 -5.129 4.248 1.00 0.00 H new ATOM 1207 N ALA A 78 7.240 -7.332 5.707 1.00 0.00 N ATOM 1208 CA ALA A 78 6.689 -7.513 7.045 1.00 0.00 C ATOM 1209 C ALA A 78 5.283 -8.104 6.965 1.00 0.00 C ATOM 1210 O ALA A 78 4.702 -8.202 5.884 1.00 0.00 O ATOM 1211 CB ALA A 78 6.644 -6.163 7.773 1.00 0.00 C ATOM 0 H ALA A 78 7.099 -6.398 5.322 1.00 0.00 H new ATOM 0 HA ALA A 78 7.328 -8.202 7.598 1.00 0.00 H new ATOM 0 HB1 ALA A 78 6.232 -6.302 8.772 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.653 -5.757 7.850 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.015 -5.469 7.215 1.00 0.00 H new ATOM 1217 N GLN A 79 4.740 -8.499 8.116 1.00 0.00 N ATOM 1218 CA GLN A 79 3.398 -9.084 8.178 1.00 0.00 C ATOM 1219 C GLN A 79 2.646 -8.541 9.388 1.00 0.00 C ATOM 1220 O GLN A 79 1.972 -9.286 10.099 1.00 0.00 O ATOM 1221 CB GLN A 79 3.513 -10.605 8.294 1.00 0.00 C ATOM 1222 CG GLN A 79 4.393 -10.949 9.498 1.00 0.00 C ATOM 1223 CD GLN A 79 4.616 -12.453 9.575 1.00 0.00 C ATOM 1224 OE1 GLN A 79 3.700 -13.233 9.313 1.00 0.00 O ATOM 1225 NE2 GLN A 79 5.790 -12.912 9.917 1.00 0.00 N ATOM 0 H GLN A 79 5.208 -8.425 9.019 1.00 0.00 H new ATOM 0 HA GLN A 79 2.852 -8.822 7.271 1.00 0.00 H new ATOM 0 HB2 GLN A 79 2.525 -11.049 8.411 1.00 0.00 H new ATOM 0 HB3 GLN A 79 3.943 -11.020 7.383 1.00 0.00 H new ATOM 0 HG2 GLN A 79 5.351 -10.436 9.416 1.00 0.00 H new ATOM 0 HG3 GLN A 79 3.921 -10.597 10.415 1.00 0.00 H new ATOM 0 HE21 GLN A 79 6.548 -12.264 10.134 1.00 0.00 H new ATOM 0 HE22 GLN A 79 5.949 -13.918 9.967 1.00 0.00 H new ATOM 1234 N LEU A 80 2.797 -7.245 9.635 1.00 0.00 N ATOM 1235 CA LEU A 80 2.163 -6.612 10.786 1.00 0.00 C ATOM 1236 C LEU A 80 0.633 -6.629 10.657 1.00 0.00 C ATOM 1237 O LEU A 80 -0.074 -6.450 11.648 1.00 0.00 O ATOM 1238 CB LEU A 80 2.617 -5.148 10.915 1.00 0.00 C ATOM 1239 CG LEU A 80 4.104 -5.000 10.583 1.00 0.00 C ATOM 1240 CD1 LEU A 80 4.523 -3.562 10.861 1.00 0.00 C ATOM 1241 CD2 LEU A 80 4.946 -5.941 11.438 1.00 0.00 C ATOM 0 H LEU A 80 3.351 -6.614 9.056 1.00 0.00 H new ATOM 0 HA LEU A 80 2.461 -7.178 11.668 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.028 -4.521 10.246 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.431 -4.794 11.929 1.00 0.00 H new ATOM 0 HG LEU A 80 4.262 -5.251 9.534 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.581 -3.440 10.629 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.935 -2.885 10.241 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.353 -3.330 11.912 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.999 -5.818 11.185 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.797 -5.707 12.492 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.645 -6.971 11.249 1.00 0.00 H new ATOM 1253 N LEU A 81 0.124 -6.818 9.433 1.00 0.00 N ATOM 1254 CA LEU A 81 -1.339 -6.823 9.198 1.00 0.00 C ATOM 1255 C LEU A 81 -1.850 -8.199 8.770 1.00 0.00 C ATOM 1256 O LEU A 81 -1.166 -8.943 8.071 1.00 0.00 O ATOM 1257 CB LEU A 81 -1.715 -5.809 8.096 1.00 0.00 C ATOM 1258 CG LEU A 81 -0.791 -4.594 8.150 1.00 0.00 C ATOM 1259 CD1 LEU A 81 -1.119 -3.647 6.993 1.00 0.00 C ATOM 1260 CD2 LEU A 81 -1.001 -3.860 9.466 1.00 0.00 C ATOM 0 H LEU A 81 0.688 -6.968 8.596 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.804 -6.551 10.146 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.645 -6.284 7.117 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.750 -5.492 8.223 1.00 0.00 H new ATOM 0 HG LEU A 81 0.245 -4.925 8.070 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.459 -2.781 7.033 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.978 -4.167 6.046 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.155 -3.318 7.075 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.343 -2.992 9.508 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.038 -3.533 9.539 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.773 -4.529 10.296 1.00 0.00 H new ATOM 1272 N GLU A 82 -3.082 -8.505 9.188 1.00 0.00 N ATOM 1273 CA GLU A 82 -3.730 -9.772 8.848 1.00 0.00 C ATOM 1274 C GLU A 82 -4.943 -9.520 7.960 1.00 0.00 C ATOM 1275 O GLU A 82 -5.669 -8.543 8.142 1.00 0.00 O ATOM 1276 CB GLU A 82 -4.156 -10.490 10.123 1.00 0.00 C ATOM 1277 CG GLU A 82 -2.907 -10.929 10.885 1.00 0.00 C ATOM 1278 CD GLU A 82 -3.300 -11.569 12.211 1.00 0.00 C ATOM 1279 OE1 GLU A 82 -4.489 -11.670 12.466 1.00 0.00 O ATOM 1280 OE2 GLU A 82 -2.409 -11.944 12.952 1.00 0.00 O ATOM 0 H GLU A 82 -3.652 -7.887 9.766 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.023 -10.398 8.304 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -4.763 -9.830 10.743 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.773 -11.355 9.880 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -2.336 -11.638 10.285 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.260 -10.070 11.064 1.00 0.00 H new ATOM 1287 N VAL A 83 -5.144 -10.404 6.992 1.00 0.00 N ATOM 1288 CA VAL A 83 -6.246 -10.277 6.046 1.00 0.00 C ATOM 1289 C VAL A 83 -7.590 -10.198 6.768 1.00 0.00 C ATOM 1290 O VAL A 83 -8.391 -9.297 6.517 1.00 0.00 O ATOM 1291 CB VAL A 83 -6.222 -11.514 5.141 1.00 0.00 C ATOM 1292 CG1 VAL A 83 -7.477 -11.557 4.255 1.00 0.00 C ATOM 1293 CG2 VAL A 83 -4.943 -11.499 4.285 1.00 0.00 C ATOM 0 H VAL A 83 -4.554 -11.222 6.840 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.128 -9.360 5.468 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.221 -12.412 5.759 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.443 -12.442 3.619 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.366 -11.596 4.885 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.513 -10.663 3.632 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.926 -12.379 3.641 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.927 -10.599 3.670 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.069 -11.509 4.936 1.00 0.00 H new ATOM 1303 N ASP A 84 -7.836 -11.158 7.641 1.00 0.00 N ATOM 1304 CA ASP A 84 -9.096 -11.207 8.373 1.00 0.00 C ATOM 1305 C ASP A 84 -9.348 -9.901 9.116 1.00 0.00 C ATOM 1306 O ASP A 84 -10.451 -9.356 9.069 1.00 0.00 O ATOM 1307 CB ASP A 84 -9.058 -12.365 9.371 1.00 0.00 C ATOM 1308 CG ASP A 84 -9.175 -13.693 8.630 1.00 0.00 C ATOM 1309 OD1 ASP A 84 -9.504 -13.668 7.456 1.00 0.00 O ATOM 1310 OD2 ASP A 84 -8.926 -14.715 9.247 1.00 0.00 O ATOM 0 H ASP A 84 -7.186 -11.912 7.862 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.906 -11.356 7.659 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -8.128 -12.336 9.939 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.873 -12.266 10.088 1.00 0.00 H new ATOM 1315 N ASP A 85 -8.329 -9.403 9.804 1.00 0.00 N ATOM 1316 CA ASP A 85 -8.465 -8.160 10.548 1.00 0.00 C ATOM 1317 C ASP A 85 -8.755 -7.011 9.597 1.00 0.00 C ATOM 1318 O ASP A 85 -9.629 -6.188 9.855 1.00 0.00 O ATOM 1319 CB ASP A 85 -7.175 -7.879 11.318 1.00 0.00 C ATOM 1320 CG ASP A 85 -7.041 -8.848 12.486 1.00 0.00 C ATOM 1321 OD1 ASP A 85 -8.026 -9.489 12.813 1.00 0.00 O ATOM 1322 OD2 ASP A 85 -5.956 -8.938 13.036 1.00 0.00 O ATOM 0 H ASP A 85 -7.408 -9.837 9.862 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.293 -8.255 11.250 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.317 -7.978 10.653 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.178 -6.853 11.685 1.00 0.00 H new ATOM 1327 N MET A 86 -8.023 -6.965 8.494 1.00 0.00 N ATOM 1328 CA MET A 86 -8.220 -5.912 7.513 1.00 0.00 C ATOM 1329 C MET A 86 -9.628 -5.993 6.953 1.00 0.00 C ATOM 1330 O MET A 86 -10.326 -4.987 6.828 1.00 0.00 O ATOM 1331 CB MET A 86 -7.215 -6.099 6.366 1.00 0.00 C ATOM 1332 CG MET A 86 -5.795 -5.661 6.802 1.00 0.00 C ATOM 1333 SD MET A 86 -4.957 -4.858 5.418 1.00 0.00 S ATOM 1334 CE MET A 86 -5.419 -3.162 5.839 1.00 0.00 C ATOM 0 H MET A 86 -7.294 -7.638 8.258 1.00 0.00 H new ATOM 0 HA MET A 86 -8.071 -4.942 7.987 1.00 0.00 H new ATOM 0 HB2 MET A 86 -7.199 -7.144 6.057 1.00 0.00 H new ATOM 0 HB3 MET A 86 -7.531 -5.516 5.501 1.00 0.00 H new ATOM 0 HG2 MET A 86 -5.858 -4.977 7.648 1.00 0.00 H new ATOM 0 HG3 MET A 86 -5.222 -6.527 7.134 1.00 0.00 H new ATOM 0 HE1 MET A 86 -5.391 -2.544 4.942 1.00 0.00 H new ATOM 0 HE2 MET A 86 -6.426 -3.152 6.255 1.00 0.00 H new ATOM 0 HE3 MET A 86 -4.719 -2.766 6.575 1.00 0.00 H new ATOM 1344 N VAL A 87 -10.032 -7.209 6.635 1.00 0.00 N ATOM 1345 CA VAL A 87 -11.359 -7.464 6.104 1.00 0.00 C ATOM 1346 C VAL A 87 -12.424 -7.247 7.171 1.00 0.00 C ATOM 1347 O VAL A 87 -13.477 -6.670 6.902 1.00 0.00 O ATOM 1348 CB VAL A 87 -11.423 -8.899 5.577 1.00 0.00 C ATOM 1349 CG1 VAL A 87 -12.864 -9.250 5.188 1.00 0.00 C ATOM 1350 CG2 VAL A 87 -10.509 -9.025 4.350 1.00 0.00 C ATOM 0 H VAL A 87 -9.454 -8.043 6.736 1.00 0.00 H new ATOM 0 HA VAL A 87 -11.554 -6.765 5.290 1.00 0.00 H new ATOM 0 HB VAL A 87 -11.091 -9.587 6.355 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -12.901 -10.273 4.814 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -13.509 -9.160 6.062 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -13.208 -8.567 4.411 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.550 -10.045 3.969 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -10.843 -8.335 3.575 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.484 -8.784 4.633 1.00 0.00 H new ATOM 1360 N ARG A 88 -12.150 -7.719 8.387 1.00 0.00 N ATOM 1361 CA ARG A 88 -13.089 -7.583 9.484 1.00 0.00 C ATOM 1362 C ARG A 88 -13.211 -6.137 9.945 1.00 0.00 C ATOM 1363 O ARG A 88 -14.315 -5.624 10.123 1.00 0.00 O ATOM 1364 CB ARG A 88 -12.603 -8.461 10.644 1.00 0.00 C ATOM 1365 CG ARG A 88 -13.476 -8.226 11.869 1.00 0.00 C ATOM 1366 CD ARG A 88 -13.161 -9.263 12.944 1.00 0.00 C ATOM 1367 NE ARG A 88 -14.128 -9.161 14.036 1.00 0.00 N ATOM 1368 CZ ARG A 88 -13.905 -8.379 15.088 1.00 0.00 C ATOM 1369 NH1 ARG A 88 -13.437 -7.173 14.920 1.00 0.00 N ATOM 1370 NH2 ARG A 88 -14.151 -8.823 16.289 1.00 0.00 N ATOM 0 H ARG A 88 -11.283 -8.198 8.631 1.00 0.00 H new ATOM 0 HA ARG A 88 -14.076 -7.899 9.146 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -12.639 -9.512 10.357 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -11.564 -8.229 10.877 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -13.306 -7.223 12.260 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -14.529 -8.286 11.592 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -13.190 -10.264 12.514 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -12.152 -9.108 13.325 1.00 0.00 H new ATOM 0 HE ARG A 88 -14.992 -9.701 13.990 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -13.241 -6.828 13.980 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -13.267 -6.575 15.728 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -14.513 -9.768 16.419 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -13.981 -8.226 17.098 1.00 0.00 H new ATOM 1384 N LEU A 89 -12.073 -5.489 10.149 1.00 0.00 N ATOM 1385 CA LEU A 89 -12.078 -4.107 10.599 1.00 0.00 C ATOM 1386 C LEU A 89 -12.686 -3.205 9.534 1.00 0.00 C ATOM 1387 O LEU A 89 -13.553 -2.378 9.818 1.00 0.00 O ATOM 1388 CB LEU A 89 -10.640 -3.656 10.891 1.00 0.00 C ATOM 1389 CG LEU A 89 -10.089 -4.377 12.137 1.00 0.00 C ATOM 1390 CD1 LEU A 89 -8.574 -4.162 12.219 1.00 0.00 C ATOM 1391 CD2 LEU A 89 -10.749 -3.820 13.416 1.00 0.00 C ATOM 0 H LEU A 89 -11.146 -5.893 10.012 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.677 -4.035 11.507 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.005 -3.868 10.031 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.616 -2.578 11.048 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.312 -5.441 12.056 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.181 -4.671 13.099 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.100 -4.567 11.325 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.361 -3.095 12.291 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -10.350 -4.339 14.287 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -10.537 -2.754 13.500 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.827 -3.973 13.365 1.00 0.00 H new ATOM 1403 N ALA A 90 -12.182 -3.345 8.314 1.00 0.00 N ATOM 1404 CA ALA A 90 -12.637 -2.506 7.216 1.00 0.00 C ATOM 1405 C ALA A 90 -12.396 -1.059 7.617 1.00 0.00 C ATOM 1406 O ALA A 90 -13.090 -0.142 7.178 1.00 0.00 O ATOM 1407 CB ALA A 90 -14.124 -2.747 6.929 1.00 0.00 C ATOM 0 H ALA A 90 -11.465 -4.025 8.063 1.00 0.00 H new ATOM 0 HA ALA A 90 -12.090 -2.745 6.304 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -14.443 -2.110 6.105 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -14.278 -3.792 6.660 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -14.709 -2.511 7.818 1.00 0.00 H new ATOM 1413 N VAL A 91 -11.378 -0.898 8.463 1.00 0.00 N ATOM 1414 CA VAL A 91 -10.968 0.403 8.983 1.00 0.00 C ATOM 1415 C VAL A 91 -9.547 0.307 9.561 1.00 0.00 C ATOM 1416 O VAL A 91 -9.348 0.531 10.752 1.00 0.00 O ATOM 1417 CB VAL A 91 -11.932 0.859 10.102 1.00 0.00 C ATOM 1418 CG1 VAL A 91 -11.390 2.146 10.781 1.00 0.00 C ATOM 1419 CG2 VAL A 91 -13.325 1.143 9.515 1.00 0.00 C ATOM 0 H VAL A 91 -10.812 -1.673 8.808 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.990 1.126 8.167 1.00 0.00 H new ATOM 0 HB VAL A 91 -12.006 0.063 10.843 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.076 2.459 11.568 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -10.410 1.944 11.213 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -11.303 2.940 10.039 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -13.997 1.464 10.311 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -13.250 1.930 8.765 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -13.717 0.237 9.053 1.00 0.00 H new ATOM 1429 N PRO A 92 -8.563 -0.040 8.767 1.00 0.00 N ATOM 1430 CA PRO A 92 -7.160 -0.164 9.256 1.00 0.00 C ATOM 1431 C PRO A 92 -6.766 1.040 10.113 1.00 0.00 C ATOM 1432 O PRO A 92 -7.574 1.932 10.364 1.00 0.00 O ATOM 1433 CB PRO A 92 -6.297 -0.248 7.973 1.00 0.00 C ATOM 1434 CG PRO A 92 -7.249 -0.143 6.809 1.00 0.00 C ATOM 1435 CD PRO A 92 -8.668 -0.372 7.340 1.00 0.00 C ATOM 0 HA PRO A 92 -7.025 -1.037 9.894 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -5.562 0.556 7.947 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -5.744 -1.187 7.938 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -7.171 0.837 6.339 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -7.003 -0.882 6.047 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -9.393 0.265 6.833 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -8.990 -1.403 7.191 1.00 0.00 H new ATOM 1443 N ASP A 93 -5.511 1.063 10.535 1.00 0.00 N ATOM 1444 CA ASP A 93 -4.996 2.164 11.348 1.00 0.00 C ATOM 1445 C ASP A 93 -3.862 2.878 10.620 1.00 0.00 C ATOM 1446 O ASP A 93 -2.939 2.249 10.110 1.00 0.00 O ATOM 1447 CB ASP A 93 -4.521 1.629 12.700 1.00 0.00 C ATOM 1448 CG ASP A 93 -5.721 1.180 13.526 1.00 0.00 C ATOM 1449 OD1 ASP A 93 -6.773 1.780 13.380 1.00 0.00 O ATOM 1450 OD2 ASP A 93 -5.570 0.245 14.297 1.00 0.00 O ATOM 0 H ASP A 93 -4.827 0.334 10.330 1.00 0.00 H new ATOM 0 HA ASP A 93 -5.795 2.886 11.518 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -3.837 0.794 12.551 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.969 2.402 13.234 1.00 0.00 H new ATOM 1455 N SER A 94 -3.965 4.199 10.557 1.00 0.00 N ATOM 1456 CA SER A 94 -2.971 5.014 9.866 1.00 0.00 C ATOM 1457 C SER A 94 -1.567 4.642 10.309 1.00 0.00 C ATOM 1458 O SER A 94 -0.621 4.691 9.524 1.00 0.00 O ATOM 1459 CB SER A 94 -3.222 6.492 10.155 1.00 0.00 C ATOM 1460 OG SER A 94 -2.276 7.276 9.440 1.00 0.00 O ATOM 0 H SER A 94 -4.728 4.731 10.976 1.00 0.00 H new ATOM 0 HA SER A 94 -3.060 4.829 8.795 1.00 0.00 H new ATOM 0 HB2 SER A 94 -4.235 6.765 9.861 1.00 0.00 H new ATOM 0 HB3 SER A 94 -3.138 6.685 11.224 1.00 0.00 H new ATOM 0 HG SER A 94 -2.435 8.226 9.621 1.00 0.00 H new ATOM 1466 N LYS A 95 -1.438 4.252 11.564 1.00 0.00 N ATOM 1467 CA LYS A 95 -0.146 3.860 12.086 1.00 0.00 C ATOM 1468 C LYS A 95 0.240 2.478 11.570 1.00 0.00 C ATOM 1469 O LYS A 95 1.411 2.199 11.313 1.00 0.00 O ATOM 1470 CB LYS A 95 -0.195 3.839 13.628 1.00 0.00 C ATOM 1471 CG LYS A 95 1.088 4.448 14.214 1.00 0.00 C ATOM 1472 CD LYS A 95 2.293 3.582 13.825 1.00 0.00 C ATOM 1473 CE LYS A 95 3.542 4.071 14.555 1.00 0.00 C ATOM 1474 NZ LYS A 95 4.681 3.160 14.243 1.00 0.00 N ATOM 0 H LYS A 95 -2.206 4.199 12.234 1.00 0.00 H new ATOM 0 HA LYS A 95 0.600 4.581 11.752 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -1.063 4.398 13.978 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -0.312 2.814 13.980 1.00 0.00 H new ATOM 0 HG2 LYS A 95 1.223 5.464 13.843 1.00 0.00 H new ATOM 0 HG3 LYS A 95 1.009 4.513 15.299 1.00 0.00 H new ATOM 0 HD2 LYS A 95 2.099 2.539 14.077 1.00 0.00 H new ATOM 0 HD3 LYS A 95 2.451 3.626 12.747 1.00 0.00 H new ATOM 0 HE2 LYS A 95 3.781 5.090 14.249 1.00 0.00 H new ATOM 0 HE3 LYS A 95 3.364 4.095 15.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 4.961 2.647 15.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 4.391 2.479 13.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 5.487 3.718 13.895 1.00 0.00 H new ATOM 1488 N CYS A 96 -0.750 1.609 11.436 1.00 0.00 N ATOM 1489 CA CYS A 96 -0.492 0.256 10.969 1.00 0.00 C ATOM 1490 C CYS A 96 0.006 0.274 9.530 1.00 0.00 C ATOM 1491 O CYS A 96 1.040 -0.312 9.210 1.00 0.00 O ATOM 1492 CB CYS A 96 -1.776 -0.578 11.057 1.00 0.00 C ATOM 1493 SG CYS A 96 -1.987 -1.197 12.744 1.00 0.00 S ATOM 0 H CYS A 96 -1.728 1.813 11.641 1.00 0.00 H new ATOM 0 HA CYS A 96 0.276 -0.189 11.602 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -2.635 0.029 10.772 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -1.728 -1.412 10.357 1.00 0.00 H new ATOM 0 HG CYS A 96 -3.077 -1.901 12.815 1.00 0.00 H new ATOM 1499 N VAL A 97 -0.736 0.964 8.674 1.00 0.00 N ATOM 1500 CA VAL A 97 -0.369 1.072 7.272 1.00 0.00 C ATOM 1501 C VAL A 97 0.966 1.777 7.167 1.00 0.00 C ATOM 1502 O VAL A 97 1.840 1.377 6.402 1.00 0.00 O ATOM 1503 CB VAL A 97 -1.420 1.885 6.514 1.00 0.00 C ATOM 1504 CG1 VAL A 97 -0.989 2.054 5.056 1.00 0.00 C ATOM 1505 CG2 VAL A 97 -2.770 1.168 6.575 1.00 0.00 C ATOM 0 H VAL A 97 -1.593 1.456 8.927 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.307 0.073 6.839 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.515 2.868 6.975 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.740 2.634 4.519 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.033 2.575 5.017 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.887 1.074 4.591 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.516 1.750 6.034 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.679 0.182 6.120 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.078 1.060 7.615 1.00 0.00 H new ATOM 1515 N TYR A 98 1.109 2.839 7.946 1.00 0.00 N ATOM 1516 CA TYR A 98 2.335 3.611 7.941 1.00 0.00 C ATOM 1517 C TYR A 98 3.509 2.725 8.316 1.00 0.00 C ATOM 1518 O TYR A 98 4.523 2.693 7.619 1.00 0.00 O ATOM 1519 CB TYR A 98 2.215 4.752 8.955 1.00 0.00 C ATOM 1520 CG TYR A 98 3.524 5.493 9.043 1.00 0.00 C ATOM 1521 CD1 TYR A 98 4.558 4.992 9.844 1.00 0.00 C ATOM 1522 CD2 TYR A 98 3.707 6.675 8.323 1.00 0.00 C ATOM 1523 CE1 TYR A 98 5.777 5.675 9.922 1.00 0.00 C ATOM 1524 CE2 TYR A 98 4.928 7.360 8.403 1.00 0.00 C ATOM 1525 CZ TYR A 98 5.963 6.858 9.200 1.00 0.00 C ATOM 1526 OH TYR A 98 7.166 7.527 9.273 1.00 0.00 O ATOM 0 H TYR A 98 0.392 3.182 8.586 1.00 0.00 H new ATOM 0 HA TYR A 98 2.500 4.017 6.943 1.00 0.00 H new ATOM 0 HB2 TYR A 98 1.419 5.434 8.657 1.00 0.00 H new ATOM 0 HB3 TYR A 98 1.944 4.355 9.933 1.00 0.00 H new ATOM 0 HD1 TYR A 98 4.415 4.078 10.402 1.00 0.00 H new ATOM 0 HD2 TYR A 98 2.910 7.061 7.705 1.00 0.00 H new ATOM 0 HE1 TYR A 98 6.574 5.288 10.540 1.00 0.00 H new ATOM 0 HE2 TYR A 98 5.070 8.276 7.849 1.00 0.00 H new ATOM 0 HH TYR A 98 7.004 8.469 9.487 1.00 0.00 H new ATOM 1536 N THR A 99 3.364 2.004 9.417 1.00 0.00 N ATOM 1537 CA THR A 99 4.427 1.126 9.872 1.00 0.00 C ATOM 1538 C THR A 99 4.766 0.115 8.789 1.00 0.00 C ATOM 1539 O THR A 99 5.936 -0.127 8.498 1.00 0.00 O ATOM 1540 CB THR A 99 3.996 0.390 11.144 1.00 0.00 C ATOM 1541 OG1 THR A 99 3.476 1.326 12.079 1.00 0.00 O ATOM 1542 CG2 THR A 99 5.203 -0.327 11.751 1.00 0.00 C ATOM 0 H THR A 99 2.531 2.009 10.005 1.00 0.00 H new ATOM 0 HA THR A 99 5.308 1.729 10.090 1.00 0.00 H new ATOM 0 HB THR A 99 3.226 -0.342 10.899 1.00 0.00 H new ATOM 0 HG1 THR A 99 2.506 1.402 11.961 1.00 0.00 H new ATOM 0 HG21 THR A 99 4.897 -0.851 12.656 1.00 0.00 H new ATOM 0 HG22 THR A 99 5.599 -1.045 11.032 1.00 0.00 H new ATOM 0 HG23 THR A 99 5.974 0.403 11.997 1.00 0.00 H new ATOM 1550 N TYR A 100 3.739 -0.465 8.183 1.00 0.00 N ATOM 1551 CA TYR A 100 3.935 -1.440 7.118 1.00 0.00 C ATOM 1552 C TYR A 100 4.674 -0.799 5.951 1.00 0.00 C ATOM 1553 O TYR A 100 5.665 -1.330 5.449 1.00 0.00 O ATOM 1554 CB TYR A 100 2.572 -1.906 6.627 1.00 0.00 C ATOM 1555 CG TYR A 100 2.753 -3.060 5.679 1.00 0.00 C ATOM 1556 CD1 TYR A 100 3.076 -2.820 4.341 1.00 0.00 C ATOM 1557 CD2 TYR A 100 2.592 -4.370 6.138 1.00 0.00 C ATOM 1558 CE1 TYR A 100 3.239 -3.894 3.458 1.00 0.00 C ATOM 1559 CE2 TYR A 100 2.755 -5.445 5.258 1.00 0.00 C ATOM 1560 CZ TYR A 100 3.078 -5.207 3.916 1.00 0.00 C ATOM 1561 OH TYR A 100 3.236 -6.267 3.047 1.00 0.00 O ATOM 0 H TYR A 100 2.762 -0.278 8.410 1.00 0.00 H new ATOM 0 HA TYR A 100 4.517 -2.278 7.501 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.952 -2.208 7.471 1.00 0.00 H new ATOM 0 HB3 TYR A 100 2.053 -1.088 6.127 1.00 0.00 H new ATOM 0 HD1 TYR A 100 3.200 -1.807 3.988 1.00 0.00 H new ATOM 0 HD2 TYR A 100 2.342 -4.553 7.173 1.00 0.00 H new ATOM 0 HE1 TYR A 100 3.489 -3.710 2.424 1.00 0.00 H new ATOM 0 HE2 TYR A 100 2.632 -6.458 5.613 1.00 0.00 H new ATOM 0 HH TYR A 100 3.090 -7.109 3.528 1.00 0.00 H new ATOM 1571 N ILE A 101 4.168 0.357 5.535 1.00 0.00 N ATOM 1572 CA ILE A 101 4.754 1.103 4.432 1.00 0.00 C ATOM 1573 C ILE A 101 6.191 1.463 4.787 1.00 0.00 C ATOM 1574 O ILE A 101 7.091 1.396 3.946 1.00 0.00 O ATOM 1575 CB ILE A 101 3.933 2.383 4.170 1.00 0.00 C ATOM 1576 CG1 ILE A 101 2.535 2.014 3.611 1.00 0.00 C ATOM 1577 CG2 ILE A 101 4.668 3.295 3.182 1.00 0.00 C ATOM 1578 CD1 ILE A 101 2.582 1.725 2.098 1.00 0.00 C ATOM 0 H ILE A 101 3.347 0.799 5.950 1.00 0.00 H new ATOM 0 HA ILE A 101 4.745 0.494 3.528 1.00 0.00 H new ATOM 0 HB ILE A 101 3.809 2.916 5.113 1.00 0.00 H new ATOM 0 HG12 ILE A 101 2.153 1.139 4.137 1.00 0.00 H new ATOM 0 HG13 ILE A 101 1.839 2.831 3.804 1.00 0.00 H new ATOM 0 HG21 ILE A 101 4.076 4.194 3.007 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.637 3.573 3.596 1.00 0.00 H new ATOM 0 HG23 ILE A 101 4.814 2.768 2.239 1.00 0.00 H new ATOM 0 HD11 ILE A 101 1.583 1.470 1.745 1.00 0.00 H new ATOM 0 HD12 ILE A 101 2.939 2.609 1.570 1.00 0.00 H new ATOM 0 HD13 ILE A 101 3.257 0.891 1.908 1.00 0.00 H new ATOM 1590 N GLN A 102 6.388 1.850 6.042 1.00 0.00 N ATOM 1591 CA GLN A 102 7.711 2.226 6.527 1.00 0.00 C ATOM 1592 C GLN A 102 8.728 1.136 6.220 1.00 0.00 C ATOM 1593 O GLN A 102 9.730 1.369 5.541 1.00 0.00 O ATOM 1594 CB GLN A 102 7.658 2.430 8.042 1.00 0.00 C ATOM 1595 CG GLN A 102 8.881 3.238 8.489 1.00 0.00 C ATOM 1596 CD GLN A 102 8.850 3.447 9.998 1.00 0.00 C ATOM 1597 OE1 GLN A 102 7.803 3.294 10.625 1.00 0.00 O ATOM 1598 NE2 GLN A 102 9.945 3.787 10.622 1.00 0.00 N ATOM 0 H GLN A 102 5.649 1.912 6.742 1.00 0.00 H new ATOM 0 HA GLN A 102 8.011 3.147 6.027 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.742 2.953 8.318 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.640 1.466 8.550 1.00 0.00 H new ATOM 0 HG2 GLN A 102 9.795 2.716 8.205 1.00 0.00 H new ATOM 0 HG3 GLN A 102 8.894 4.202 7.981 1.00 0.00 H new ATOM 0 HE21 GLN A 102 10.812 3.913 10.099 1.00 0.00 H new ATOM 0 HE22 GLN A 102 9.934 3.927 11.632 1.00 0.00 H new ATOM 1607 N GLU A 103 8.471 -0.052 6.747 1.00 0.00 N ATOM 1608 CA GLU A 103 9.376 -1.169 6.540 1.00 0.00 C ATOM 1609 C GLU A 103 9.511 -1.444 5.049 1.00 0.00 C ATOM 1610 O GLU A 103 10.614 -1.635 4.535 1.00 0.00 O ATOM 1611 CB GLU A 103 8.843 -2.407 7.261 1.00 0.00 C ATOM 1612 CG GLU A 103 8.938 -2.199 8.774 1.00 0.00 C ATOM 1613 CD GLU A 103 8.245 -3.346 9.501 1.00 0.00 C ATOM 1614 OE1 GLU A 103 7.217 -3.790 9.020 1.00 0.00 O ATOM 1615 OE2 GLU A 103 8.752 -3.762 10.531 1.00 0.00 O ATOM 0 H GLU A 103 7.651 -0.265 7.315 1.00 0.00 H new ATOM 0 HA GLU A 103 10.357 -0.923 6.946 1.00 0.00 H new ATOM 0 HB2 GLU A 103 7.808 -2.591 6.973 1.00 0.00 H new ATOM 0 HB3 GLU A 103 9.416 -3.286 6.968 1.00 0.00 H new ATOM 0 HG2 GLU A 103 9.984 -2.144 9.077 1.00 0.00 H new ATOM 0 HG3 GLU A 103 8.476 -1.251 9.049 1.00 0.00 H new ATOM 1622 N LEU A 104 8.378 -1.464 4.362 1.00 0.00 N ATOM 1623 CA LEU A 104 8.360 -1.715 2.932 1.00 0.00 C ATOM 1624 C LEU A 104 9.201 -0.688 2.194 1.00 0.00 C ATOM 1625 O LEU A 104 10.016 -1.037 1.344 1.00 0.00 O ATOM 1626 CB LEU A 104 6.916 -1.601 2.455 1.00 0.00 C ATOM 1627 CG LEU A 104 6.797 -1.841 0.941 1.00 0.00 C ATOM 1628 CD1 LEU A 104 7.141 -3.296 0.604 1.00 0.00 C ATOM 1629 CD2 LEU A 104 5.360 -1.539 0.503 1.00 0.00 C ATOM 0 H LEU A 104 7.458 -1.309 4.775 1.00 0.00 H new ATOM 0 HA LEU A 104 8.768 -2.706 2.732 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.299 -2.324 2.988 1.00 0.00 H new ATOM 0 HB3 LEU A 104 6.529 -0.611 2.698 1.00 0.00 H new ATOM 0 HG LEU A 104 7.494 -1.188 0.416 1.00 0.00 H new ATOM 0 HD11 LEU A 104 7.052 -3.451 -0.471 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.162 -3.511 0.919 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.453 -3.962 1.125 1.00 0.00 H new ATOM 0 HD21 LEU A 104 5.264 -1.706 -0.570 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.672 -2.195 1.035 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.121 -0.500 0.731 1.00 0.00 H new ATOM 1641 N TYR A 105 8.994 0.576 2.529 1.00 0.00 N ATOM 1642 CA TYR A 105 9.722 1.658 1.891 1.00 0.00 C ATOM 1643 C TYR A 105 11.206 1.376 1.955 1.00 0.00 C ATOM 1644 O TYR A 105 11.938 1.524 0.974 1.00 0.00 O ATOM 1645 CB TYR A 105 9.430 2.953 2.644 1.00 0.00 C ATOM 1646 CG TYR A 105 10.154 4.106 1.993 1.00 0.00 C ATOM 1647 CD1 TYR A 105 9.640 4.679 0.827 1.00 0.00 C ATOM 1648 CD2 TYR A 105 11.333 4.605 2.560 1.00 0.00 C ATOM 1649 CE1 TYR A 105 10.305 5.752 0.223 1.00 0.00 C ATOM 1650 CE2 TYR A 105 11.998 5.676 1.958 1.00 0.00 C ATOM 1651 CZ TYR A 105 11.483 6.250 0.788 1.00 0.00 C ATOM 1652 OH TYR A 105 12.138 7.309 0.194 1.00 0.00 O ATOM 0 H TYR A 105 8.327 0.876 3.240 1.00 0.00 H new ATOM 0 HA TYR A 105 9.414 1.747 0.849 1.00 0.00 H new ATOM 0 HB2 TYR A 105 8.357 3.145 2.651 1.00 0.00 H new ATOM 0 HB3 TYR A 105 9.743 2.857 3.684 1.00 0.00 H new ATOM 0 HD1 TYR A 105 8.730 4.294 0.392 1.00 0.00 H new ATOM 0 HD2 TYR A 105 11.728 4.162 3.462 1.00 0.00 H new ATOM 0 HE1 TYR A 105 9.909 6.195 -0.679 1.00 0.00 H new ATOM 0 HE2 TYR A 105 12.908 6.061 2.394 1.00 0.00 H new ATOM 0 HH TYR A 105 12.938 7.532 0.714 1.00 0.00 H new ATOM 1662 N ARG A 106 11.641 0.998 3.137 1.00 0.00 N ATOM 1663 CA ARG A 106 13.042 0.721 3.371 1.00 0.00 C ATOM 1664 C ARG A 106 13.526 -0.427 2.499 1.00 0.00 C ATOM 1665 O ARG A 106 14.631 -0.375 1.971 1.00 0.00 O ATOM 1666 CB ARG A 106 13.232 0.409 4.847 1.00 0.00 C ATOM 1667 CG ARG A 106 13.003 1.698 5.642 1.00 0.00 C ATOM 1668 CD ARG A 106 13.039 1.401 7.138 1.00 0.00 C ATOM 1669 NE ARG A 106 14.352 0.906 7.522 1.00 0.00 N ATOM 1670 CZ ARG A 106 14.582 0.463 8.750 1.00 0.00 C ATOM 1671 NH1 ARG A 106 14.638 1.306 9.745 1.00 0.00 N ATOM 1672 NH2 ARG A 106 14.744 -0.814 8.963 1.00 0.00 N ATOM 0 H ARG A 106 11.043 0.875 3.954 1.00 0.00 H new ATOM 0 HA ARG A 106 13.638 1.594 3.104 1.00 0.00 H new ATOM 0 HB2 ARG A 106 12.532 -0.363 5.165 1.00 0.00 H new ATOM 0 HB3 ARG A 106 14.236 0.024 5.028 1.00 0.00 H new ATOM 0 HG2 ARG A 106 13.769 2.432 5.390 1.00 0.00 H new ATOM 0 HG3 ARG A 106 12.042 2.135 5.373 1.00 0.00 H new ATOM 0 HD2 ARG A 106 12.804 2.304 7.701 1.00 0.00 H new ATOM 0 HD3 ARG A 106 12.277 0.663 7.388 1.00 0.00 H new ATOM 0 HE ARG A 106 15.107 0.900 6.836 1.00 0.00 H new ATOM 0 HH11 ARG A 106 14.505 2.303 9.577 1.00 0.00 H new ATOM 0 HH12 ARG A 106 14.815 0.968 10.691 1.00 0.00 H new ATOM 0 HH21 ARG A 106 14.694 -1.471 8.185 1.00 0.00 H new ATOM 0 HH22 ARG A 106 14.921 -1.155 9.908 1.00 0.00 H new ATOM 1686 N SER A 107 12.697 -1.453 2.330 1.00 0.00 N ATOM 1687 CA SER A 107 13.082 -2.582 1.492 1.00 0.00 C ATOM 1688 C SER A 107 13.371 -2.102 0.066 1.00 0.00 C ATOM 1689 O SER A 107 14.308 -2.569 -0.581 1.00 0.00 O ATOM 1690 CB SER A 107 11.975 -3.635 1.467 1.00 0.00 C ATOM 1691 OG SER A 107 11.737 -4.099 2.790 1.00 0.00 O ATOM 0 H SER A 107 11.772 -1.526 2.753 1.00 0.00 H new ATOM 0 HA SER A 107 13.983 -3.031 1.911 1.00 0.00 H new ATOM 0 HB2 SER A 107 11.063 -3.210 1.049 1.00 0.00 H new ATOM 0 HB3 SER A 107 12.263 -4.467 0.824 1.00 0.00 H new ATOM 0 HG SER A 107 11.321 -3.385 3.317 1.00 0.00 H new ATOM 1697 N LEU A 108 12.555 -1.168 -0.419 1.00 0.00 N ATOM 1698 CA LEU A 108 12.730 -0.625 -1.761 1.00 0.00 C ATOM 1699 C LEU A 108 14.018 0.188 -1.859 1.00 0.00 C ATOM 1700 O LEU A 108 14.687 0.192 -2.891 1.00 0.00 O ATOM 1701 CB LEU A 108 11.567 0.297 -2.129 1.00 0.00 C ATOM 1702 CG LEU A 108 10.221 -0.397 -1.905 1.00 0.00 C ATOM 1703 CD1 LEU A 108 9.092 0.620 -2.107 1.00 0.00 C ATOM 1704 CD2 LEU A 108 10.048 -1.548 -2.898 1.00 0.00 C ATOM 0 H LEU A 108 11.769 -0.773 0.097 1.00 0.00 H new ATOM 0 HA LEU A 108 12.771 -1.473 -2.445 1.00 0.00 H new ATOM 0 HB2 LEU A 108 11.615 1.206 -1.529 1.00 0.00 H new ATOM 0 HB3 LEU A 108 11.655 0.599 -3.173 1.00 0.00 H new ATOM 0 HG LEU A 108 10.189 -0.796 -0.891 1.00 0.00 H new ATOM 0 HD11 LEU A 108 8.130 0.132 -1.949 1.00 0.00 H new ATOM 0 HD12 LEU A 108 9.206 1.437 -1.394 1.00 0.00 H new ATOM 0 HD13 LEU A 108 9.136 1.015 -3.122 1.00 0.00 H new ATOM 0 HD21 LEU A 108 9.087 -2.034 -2.728 1.00 0.00 H new ATOM 0 HD22 LEU A 108 10.083 -1.159 -3.916 1.00 0.00 H new ATOM 0 HD23 LEU A 108 10.850 -2.273 -2.758 1.00 0.00 H new ATOM 1716 N VAL A 109 14.336 0.916 -0.791 1.00 0.00 N ATOM 1717 CA VAL A 109 15.518 1.763 -0.788 1.00 0.00 C ATOM 1718 C VAL A 109 16.782 0.928 -0.940 1.00 0.00 C ATOM 1719 O VAL A 109 17.644 1.240 -1.763 1.00 0.00 O ATOM 1720 CB VAL A 109 15.561 2.574 0.509 1.00 0.00 C ATOM 1721 CG1 VAL A 109 16.908 3.288 0.633 1.00 0.00 C ATOM 1722 CG2 VAL A 109 14.439 3.613 0.487 1.00 0.00 C ATOM 0 H VAL A 109 13.795 0.935 0.074 1.00 0.00 H new ATOM 0 HA VAL A 109 15.466 2.446 -1.636 1.00 0.00 H new ATOM 0 HB VAL A 109 15.432 1.904 1.359 1.00 0.00 H new ATOM 0 HG11 VAL A 109 16.931 3.863 1.559 1.00 0.00 H new ATOM 0 HG12 VAL A 109 17.711 2.551 0.644 1.00 0.00 H new ATOM 0 HG13 VAL A 109 17.043 3.959 -0.215 1.00 0.00 H new ATOM 0 HG21 VAL A 109 14.464 4.195 1.408 1.00 0.00 H new ATOM 0 HG22 VAL A 109 14.576 4.278 -0.366 1.00 0.00 H new ATOM 0 HG23 VAL A 109 13.477 3.108 0.403 1.00 0.00 H new ATOM 1732 N GLN A 110 16.884 -0.135 -0.155 1.00 0.00 N ATOM 1733 CA GLN A 110 18.046 -1.003 -0.237 1.00 0.00 C ATOM 1734 C GLN A 110 18.078 -1.685 -1.595 1.00 0.00 C ATOM 1735 O GLN A 110 19.105 -1.695 -2.275 1.00 0.00 O ATOM 1736 CB GLN A 110 18.017 -2.060 0.875 1.00 0.00 C ATOM 1737 CG GLN A 110 16.646 -2.748 0.932 1.00 0.00 C ATOM 1738 CD GLN A 110 16.535 -3.644 2.162 1.00 0.00 C ATOM 1739 OE1 GLN A 110 16.549 -4.869 2.040 1.00 0.00 O ATOM 1740 NE2 GLN A 110 16.408 -3.107 3.345 1.00 0.00 N ATOM 0 H GLN A 110 16.187 -0.413 0.536 1.00 0.00 H new ATOM 0 HA GLN A 110 18.943 -0.396 -0.111 1.00 0.00 H new ATOM 0 HB2 GLN A 110 18.795 -2.802 0.699 1.00 0.00 H new ATOM 0 HB3 GLN A 110 18.235 -1.592 1.835 1.00 0.00 H new ATOM 0 HG2 GLN A 110 15.858 -1.995 0.954 1.00 0.00 H new ATOM 0 HG3 GLN A 110 16.495 -3.342 0.030 1.00 0.00 H new ATOM 0 HE21 GLN A 110 16.396 -2.092 3.446 1.00 0.00 H new ATOM 0 HE22 GLN A 110 16.320 -3.702 4.169 1.00 0.00 H new ATOM 1749 N LYS A 111 16.944 -2.256 -1.976 1.00 0.00 N ATOM 1750 CA LYS A 111 16.837 -2.952 -3.245 1.00 0.00 C ATOM 1751 C LYS A 111 17.242 -2.027 -4.387 1.00 0.00 C ATOM 1752 O LYS A 111 17.734 -2.483 -5.418 1.00 0.00 O ATOM 1753 CB LYS A 111 15.393 -3.449 -3.452 1.00 0.00 C ATOM 1754 CG LYS A 111 15.367 -4.585 -4.500 1.00 0.00 C ATOM 1755 CD LYS A 111 15.636 -5.937 -3.822 1.00 0.00 C ATOM 1756 CE LYS A 111 15.511 -7.065 -4.850 1.00 0.00 C ATOM 1757 NZ LYS A 111 15.814 -8.372 -4.196 1.00 0.00 N ATOM 0 H LYS A 111 16.087 -2.250 -1.423 1.00 0.00 H new ATOM 0 HA LYS A 111 17.509 -3.810 -3.235 1.00 0.00 H new ATOM 0 HB2 LYS A 111 14.984 -3.806 -2.507 1.00 0.00 H new ATOM 0 HB3 LYS A 111 14.760 -2.625 -3.782 1.00 0.00 H new ATOM 0 HG2 LYS A 111 14.399 -4.607 -5.000 1.00 0.00 H new ATOM 0 HG3 LYS A 111 16.118 -4.399 -5.268 1.00 0.00 H new ATOM 0 HD2 LYS A 111 16.633 -5.942 -3.382 1.00 0.00 H new ATOM 0 HD3 LYS A 111 14.928 -6.094 -3.008 1.00 0.00 H new ATOM 0 HE2 LYS A 111 14.504 -7.080 -5.268 1.00 0.00 H new ATOM 0 HE3 LYS A 111 16.198 -6.893 -5.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 15.729 -9.138 -4.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 16.783 -8.355 -3.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 15.142 -8.536 -3.419 1.00 0.00 H new ATOM 1771 N GLY A 112 17.019 -0.727 -4.204 1.00 0.00 N ATOM 1772 CA GLY A 112 17.351 0.255 -5.237 1.00 0.00 C ATOM 1773 C GLY A 112 16.175 0.414 -6.185 1.00 0.00 C ATOM 1774 O GLY A 112 16.309 0.919 -7.302 1.00 0.00 O ATOM 0 H GLY A 112 16.613 -0.330 -3.357 1.00 0.00 H new ATOM 0 HA2 GLY A 112 17.593 1.213 -4.778 1.00 0.00 H new ATOM 0 HA3 GLY A 112 18.235 -0.067 -5.788 1.00 0.00 H new ATOM 1778 N LEU A 113 15.017 -0.021 -5.704 1.00 0.00 N ATOM 1779 CA LEU A 113 13.776 0.064 -6.457 1.00 0.00 C ATOM 1780 C LEU A 113 13.290 1.512 -6.557 1.00 0.00 C ATOM 1781 O LEU A 113 12.879 1.966 -7.624 1.00 0.00 O ATOM 1782 CB LEU A 113 12.720 -0.797 -5.751 1.00 0.00 C ATOM 1783 CG LEU A 113 12.881 -2.277 -6.133 1.00 0.00 C ATOM 1784 CD1 LEU A 113 11.988 -3.127 -5.221 1.00 0.00 C ATOM 1785 CD2 LEU A 113 12.476 -2.498 -7.606 1.00 0.00 C ATOM 0 H LEU A 113 14.914 -0.442 -4.781 1.00 0.00 H new ATOM 0 HA LEU A 113 13.945 -0.299 -7.471 1.00 0.00 H new ATOM 0 HB2 LEU A 113 12.814 -0.683 -4.671 1.00 0.00 H new ATOM 0 HB3 LEU A 113 11.722 -0.453 -6.023 1.00 0.00 H new ATOM 0 HG LEU A 113 13.924 -2.569 -6.011 1.00 0.00 H new ATOM 0 HD11 LEU A 113 12.095 -4.179 -5.485 1.00 0.00 H new ATOM 0 HD12 LEU A 113 12.285 -2.981 -4.182 1.00 0.00 H new ATOM 0 HD13 LEU A 113 10.948 -2.826 -5.347 1.00 0.00 H new ATOM 0 HD21 LEU A 113 12.595 -3.551 -7.862 1.00 0.00 H new ATOM 0 HD22 LEU A 113 11.435 -2.206 -7.745 1.00 0.00 H new ATOM 0 HD23 LEU A 113 13.111 -1.893 -8.253 1.00 0.00 H new ATOM 1797 N VAL A 114 13.337 2.222 -5.433 1.00 0.00 N ATOM 1798 CA VAL A 114 12.889 3.614 -5.393 1.00 0.00 C ATOM 1799 C VAL A 114 13.882 4.542 -6.103 1.00 0.00 C ATOM 1800 O VAL A 114 13.488 5.542 -6.704 1.00 0.00 O ATOM 1801 CB VAL A 114 12.648 4.042 -3.926 1.00 0.00 C ATOM 1802 CG1 VAL A 114 12.719 5.571 -3.778 1.00 0.00 C ATOM 1803 CG2 VAL A 114 11.252 3.560 -3.467 1.00 0.00 C ATOM 0 H VAL A 114 13.678 1.861 -4.542 1.00 0.00 H new ATOM 0 HA VAL A 114 11.946 3.696 -5.934 1.00 0.00 H new ATOM 0 HB VAL A 114 13.426 3.591 -3.310 1.00 0.00 H new ATOM 0 HG11 VAL A 114 12.546 5.844 -2.737 1.00 0.00 H new ATOM 0 HG12 VAL A 114 13.704 5.921 -4.086 1.00 0.00 H new ATOM 0 HG13 VAL A 114 11.957 6.033 -4.406 1.00 0.00 H new ATOM 0 HG21 VAL A 114 11.084 3.863 -2.433 1.00 0.00 H new ATOM 0 HG22 VAL A 114 10.486 4.004 -4.104 1.00 0.00 H new ATOM 0 HG23 VAL A 114 11.200 2.474 -3.540 1.00 0.00 H new ATOM 1813 N LYS A 115 15.157 4.205 -6.032 1.00 0.00 N ATOM 1814 CA LYS A 115 16.196 5.013 -6.672 1.00 0.00 C ATOM 1815 C LYS A 115 16.169 4.819 -8.188 1.00 0.00 C ATOM 1816 O LYS A 115 17.201 4.565 -8.810 1.00 0.00 O ATOM 1817 CB LYS A 115 17.573 4.622 -6.118 1.00 0.00 C ATOM 1818 CG LYS A 115 17.540 4.622 -4.578 1.00 0.00 C ATOM 1819 CD LYS A 115 17.308 6.047 -4.052 1.00 0.00 C ATOM 1820 CE LYS A 115 17.490 6.083 -2.532 1.00 0.00 C ATOM 1821 NZ LYS A 115 18.940 6.006 -2.200 1.00 0.00 N ATOM 0 H LYS A 115 15.504 3.381 -5.541 1.00 0.00 H new ATOM 0 HA LYS A 115 16.005 6.064 -6.454 1.00 0.00 H new ATOM 0 HB2 LYS A 115 17.855 3.635 -6.484 1.00 0.00 H new ATOM 0 HB3 LYS A 115 18.329 5.321 -6.474 1.00 0.00 H new ATOM 0 HG2 LYS A 115 16.748 3.962 -4.224 1.00 0.00 H new ATOM 0 HG3 LYS A 115 18.479 4.231 -4.187 1.00 0.00 H new ATOM 0 HD2 LYS A 115 18.007 6.736 -4.526 1.00 0.00 H new ATOM 0 HD3 LYS A 115 16.304 6.381 -4.314 1.00 0.00 H new ATOM 0 HE2 LYS A 115 17.062 7.000 -2.126 1.00 0.00 H new ATOM 0 HE3 LYS A 115 16.957 5.251 -2.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 19.082 6.266 -1.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 19.281 5.036 -2.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 19.471 6.662 -2.808 1.00 0.00 H new ATOM 1835 N THR A 116 14.977 4.939 -8.767 1.00 0.00 N ATOM 1836 CA THR A 116 14.802 4.782 -10.209 1.00 0.00 C ATOM 1837 C THR A 116 15.333 5.988 -10.970 1.00 0.00 C ATOM 1838 O THR A 116 15.849 5.862 -12.081 1.00 0.00 O ATOM 1839 CB THR A 116 13.323 4.565 -10.538 1.00 0.00 C ATOM 1840 OG1 THR A 116 12.809 3.519 -9.724 1.00 0.00 O ATOM 1841 CG2 THR A 116 13.173 4.187 -12.012 1.00 0.00 C ATOM 0 H THR A 116 14.117 5.145 -8.259 1.00 0.00 H new ATOM 0 HA THR A 116 15.375 3.909 -10.522 1.00 0.00 H new ATOM 0 HB THR A 116 12.770 5.484 -10.345 1.00 0.00 H new ATOM 0 HG1 THR A 116 13.534 3.135 -9.188 1.00 0.00 H new ATOM 0 HG21 THR A 116 12.119 4.033 -12.243 1.00 0.00 H new ATOM 0 HG22 THR A 116 13.568 4.989 -12.635 1.00 0.00 H new ATOM 0 HG23 THR A 116 13.725 3.269 -12.210 1.00 0.00 H new ATOM 1849 N LYS A 117 15.171 7.157 -10.376 1.00 0.00 N ATOM 1850 CA LYS A 117 15.610 8.401 -11.005 1.00 0.00 C ATOM 1851 C LYS A 117 17.126 8.430 -11.191 1.00 0.00 C ATOM 1852 O LYS A 117 17.623 8.281 -12.306 1.00 0.00 O ATOM 1853 CB LYS A 117 15.181 9.594 -10.155 1.00 0.00 C ATOM 1854 CG LYS A 117 13.653 9.688 -10.130 1.00 0.00 C ATOM 1855 CD LYS A 117 13.241 11.017 -9.487 1.00 0.00 C ATOM 1856 CE LYS A 117 13.757 11.077 -8.048 1.00 0.00 C ATOM 1857 NZ LYS A 117 13.624 9.735 -7.414 1.00 0.00 N ATOM 0 H LYS A 117 14.740 7.276 -9.459 1.00 0.00 H new ATOM 0 HA LYS A 117 15.143 8.459 -11.988 1.00 0.00 H new ATOM 0 HB2 LYS A 117 15.565 9.487 -9.140 1.00 0.00 H new ATOM 0 HB3 LYS A 117 15.605 10.513 -10.561 1.00 0.00 H new ATOM 0 HG2 LYS A 117 13.256 9.622 -11.143 1.00 0.00 H new ATOM 0 HG3 LYS A 117 13.234 8.853 -9.568 1.00 0.00 H new ATOM 0 HD2 LYS A 117 13.644 11.850 -10.063 1.00 0.00 H new ATOM 0 HD3 LYS A 117 12.156 11.116 -9.499 1.00 0.00 H new ATOM 0 HE2 LYS A 117 14.800 11.394 -8.038 1.00 0.00 H new ATOM 0 HE3 LYS A 117 13.194 11.817 -7.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 13.559 9.844 -6.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 12.765 9.268 -7.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 14.455 9.156 -7.650 1.00 0.00 H new ATOM 1871 N LYS A 118 17.854 8.624 -10.095 1.00 0.00 N ATOM 1872 CA LYS A 118 19.311 8.675 -10.161 1.00 0.00 C ATOM 1873 C LYS A 118 19.839 7.464 -10.927 1.00 0.00 C ATOM 1874 O LYS A 118 19.353 6.348 -10.747 1.00 0.00 O ATOM 1875 CB LYS A 118 19.891 8.694 -8.739 1.00 0.00 C ATOM 1876 CG LYS A 118 21.388 9.061 -8.772 1.00 0.00 C ATOM 1877 CD LYS A 118 21.553 10.588 -8.769 1.00 0.00 C ATOM 1878 CE LYS A 118 23.036 10.956 -8.750 1.00 0.00 C ATOM 1879 NZ LYS A 118 23.673 10.511 -10.022 1.00 0.00 N ATOM 0 H LYS A 118 17.464 8.747 -9.160 1.00 0.00 H new ATOM 0 HA LYS A 118 19.617 9.582 -10.683 1.00 0.00 H new ATOM 0 HB2 LYS A 118 19.347 9.414 -8.128 1.00 0.00 H new ATOM 0 HB3 LYS A 118 19.760 7.717 -8.273 1.00 0.00 H new ATOM 0 HG2 LYS A 118 21.896 8.630 -7.909 1.00 0.00 H new ATOM 0 HG3 LYS A 118 21.855 8.638 -9.661 1.00 0.00 H new ATOM 0 HD2 LYS A 118 21.076 11.015 -9.651 1.00 0.00 H new ATOM 0 HD3 LYS A 118 21.053 11.014 -7.899 1.00 0.00 H new ATOM 0 HE2 LYS A 118 23.153 12.033 -8.629 1.00 0.00 H new ATOM 0 HE3 LYS A 118 23.528 10.484 -7.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 24.591 10.986 -10.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 23.816 9.481 -9.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 23.056 10.755 -10.823 1.00 0.00 H new ATOM 1893 N LYS A 119 20.826 7.695 -11.792 1.00 0.00 N ATOM 1894 CA LYS A 119 21.402 6.616 -12.591 1.00 0.00 C ATOM 1895 C LYS A 119 20.310 5.917 -13.403 1.00 0.00 C ATOM 1896 O LYS A 119 20.651 5.226 -14.348 1.00 0.00 O ATOM 1897 CB LYS A 119 22.093 5.600 -11.679 1.00 0.00 C ATOM 1898 CG LYS A 119 22.948 4.645 -12.519 1.00 0.00 C ATOM 1899 CD LYS A 119 23.728 3.715 -11.584 1.00 0.00 C ATOM 1900 CE LYS A 119 24.600 2.766 -12.407 1.00 0.00 C ATOM 1901 NZ LYS A 119 25.378 1.886 -11.487 1.00 0.00 N ATOM 1902 OXT LYS A 119 19.150 6.087 -13.070 1.00 0.00 O ATOM 0 H LYS A 119 21.240 8.612 -11.956 1.00 0.00 H new ATOM 0 HA LYS A 119 22.135 7.043 -13.275 1.00 0.00 H new ATOM 0 HB2 LYS A 119 22.718 6.117 -10.951 1.00 0.00 H new ATOM 0 HB3 LYS A 119 21.348 5.037 -11.117 1.00 0.00 H new ATOM 0 HG2 LYS A 119 22.314 4.061 -13.187 1.00 0.00 H new ATOM 0 HG3 LYS A 119 23.637 5.211 -13.147 1.00 0.00 H new ATOM 0 HD2 LYS A 119 24.350 4.302 -10.909 1.00 0.00 H new ATOM 0 HD3 LYS A 119 23.037 3.143 -10.965 1.00 0.00 H new ATOM 0 HE2 LYS A 119 23.977 2.161 -13.066 1.00 0.00 H new ATOM 0 HE3 LYS A 119 25.278 3.336 -13.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 25.972 1.240 -12.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 25.983 2.471 -10.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 24.723 1.333 -10.899 1.00 0.00 H new TER 1916 LYS A 119