USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 835 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 47 CYS SG : rot 88:sc= -5.78! USER MOD Set 1.2: A 80 CYS SG : rot 56:sc= -6.87! USER MOD Set 2.1: A 21 LYS NZ :NH3+ -149:sc= -0.145 (180deg=-1.83) USER MOD Set 2.2: A 105 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 12 MET CE :methyl -157:sc= -1.74 (180deg=-2.33!) USER MOD Set 3.2: A 14 HIS : no HD1:sc= 0 K(o=-1.7,f=-2.4) USER MOD Single : A 1 GLY N :NH3+ -97:sc= 0.0587 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 21:sc= 0.0719 USER MOD Single : A 10 SER OG : rot 30:sc= 0.303 USER MOD Single : A 22 ASN : amide:sc= 0.77 K(o=0.77,f=0) USER MOD Single : A 23 MET CE :methyl -136:sc= -5.31 (180deg=-12.2!) USER MOD Single : A 25 HIS : no HD1:sc= -3.4! C(o=-3.4!,f=-7.4!) USER MOD Single : A 27 MET CE :methyl -162:sc= -2.8! (180deg=-4.24!) USER MOD Single : A 37 ASN : amide:sc= -0.124 X(o=-0.12,f=-0.064) USER MOD Single : A 48 SER OG : rot 38:sc= 0.133 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 163:sc= -0.0596 (180deg=-0.362) USER MOD Single : A 62 HIS : no HD1:sc= -0.5 K(o=-0.5,f=-4) USER MOD Single : A 68 SER OG : rot -140:sc= -2.19! USER MOD Single : A 70 SER OG : rot 180:sc= -0.0801 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.814 X(o=-0.81,f=-0.86) USER MOD Single : A 83 THR OG1 : rot 111:sc= 0.714 USER MOD Single : A 93 GLN : amide:sc= -2.2 X(o=-2.2,f=-2!) USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.0641 USER MOD Single : A 97 GLN : amide:sc= -8.86! C(o=-8.9!,f=-4.9!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot -159:sc= 0.501 USER MOD Single : A 106 GLN : amide:sc= -2.21 K(o=-2.2,f=-4) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 50:sc= 0.307 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.954 -9.793 -13.741 1.00 0.00 N ATOM 2 CA GLY A 1 22.913 -8.894 -13.125 1.00 0.00 C ATOM 3 C GLY A 1 23.139 -7.638 -13.943 1.00 0.00 C ATOM 4 O GLY A 1 22.834 -7.602 -15.135 1.00 0.00 O ATOM 0 H1 GLY A 1 21.016 -9.642 -13.318 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.908 -9.604 -14.763 1.00 0.00 H new ATOM 0 H3 GLY A 1 22.250 -10.777 -13.584 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.561 -8.618 -12.131 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.862 -9.414 -12.994 1.00 0.00 H new ATOM 8 N SER A 2 23.673 -6.604 -13.301 1.00 0.00 N ATOM 9 CA SER A 2 23.934 -5.338 -13.976 1.00 0.00 C ATOM 10 C SER A 2 24.864 -4.460 -13.143 1.00 0.00 C ATOM 11 O SER A 2 24.492 -3.985 -12.070 1.00 0.00 O ATOM 12 CB SER A 2 22.621 -4.599 -14.244 1.00 0.00 C ATOM 13 OG SER A 2 22.795 -3.590 -15.224 1.00 0.00 O ATOM 0 H SER A 2 23.933 -6.618 -12.315 1.00 0.00 H new ATOM 0 HA SER A 2 24.422 -5.555 -14.926 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.863 -5.307 -14.577 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.256 -4.153 -13.319 1.00 0.00 H new ATOM 0 HG SER A 2 21.942 -3.134 -15.379 1.00 0.00 H new ATOM 19 N SER A 3 26.076 -4.249 -13.646 1.00 0.00 N ATOM 20 CA SER A 3 27.062 -3.433 -12.948 1.00 0.00 C ATOM 21 C SER A 3 26.497 -2.051 -12.632 1.00 0.00 C ATOM 22 O SER A 3 26.552 -1.591 -11.492 1.00 0.00 O ATOM 23 CB SER A 3 28.331 -3.296 -13.792 1.00 0.00 C ATOM 24 OG SER A 3 29.246 -2.394 -13.194 1.00 0.00 O ATOM 0 H SER A 3 26.399 -4.632 -14.535 1.00 0.00 H new ATOM 0 HA SER A 3 27.310 -3.929 -12.010 1.00 0.00 H new ATOM 0 HB2 SER A 3 28.801 -4.272 -13.908 1.00 0.00 H new ATOM 0 HB3 SER A 3 28.071 -2.946 -14.791 1.00 0.00 H new ATOM 0 HG SER A 3 30.049 -2.325 -13.752 1.00 0.00 H new ATOM 30 N GLY A 4 25.952 -1.393 -13.652 1.00 0.00 N ATOM 31 CA GLY A 4 25.385 -0.071 -13.463 1.00 0.00 C ATOM 32 C GLY A 4 26.439 1.018 -13.463 1.00 0.00 C ATOM 33 O GLY A 4 27.613 0.755 -13.726 1.00 0.00 O ATOM 0 H GLY A 4 25.893 -1.752 -14.605 1.00 0.00 H new ATOM 0 HA2 GLY A 4 24.662 0.127 -14.254 1.00 0.00 H new ATOM 0 HA3 GLY A 4 24.840 -0.045 -12.520 1.00 0.00 H new ATOM 37 N SER A 5 26.020 2.245 -13.170 1.00 0.00 N ATOM 38 CA SER A 5 26.937 3.379 -13.143 1.00 0.00 C ATOM 39 C SER A 5 28.267 2.987 -12.507 1.00 0.00 C ATOM 40 O SER A 5 28.322 2.618 -11.334 1.00 0.00 O ATOM 41 CB SER A 5 26.315 4.546 -12.374 1.00 0.00 C ATOM 42 OG SER A 5 25.540 5.366 -13.231 1.00 0.00 O ATOM 0 H SER A 5 25.052 2.479 -12.948 1.00 0.00 H new ATOM 0 HA SER A 5 27.123 3.689 -14.171 1.00 0.00 H new ATOM 0 HB2 SER A 5 25.689 4.162 -11.569 1.00 0.00 H new ATOM 0 HB3 SER A 5 27.102 5.141 -11.910 1.00 0.00 H new ATOM 0 HG SER A 5 25.152 6.103 -12.715 1.00 0.00 H new ATOM 48 N SER A 6 29.338 3.071 -13.290 1.00 0.00 N ATOM 49 CA SER A 6 30.668 2.722 -12.807 1.00 0.00 C ATOM 50 C SER A 6 31.460 3.974 -12.443 1.00 0.00 C ATOM 51 O SER A 6 32.133 4.020 -11.414 1.00 0.00 O ATOM 52 CB SER A 6 31.424 1.916 -13.865 1.00 0.00 C ATOM 53 OG SER A 6 30.757 0.699 -14.153 1.00 0.00 O ATOM 0 H SER A 6 29.310 3.378 -14.262 1.00 0.00 H new ATOM 0 HA SER A 6 30.553 2.113 -11.911 1.00 0.00 H new ATOM 0 HB2 SER A 6 31.520 2.506 -14.776 1.00 0.00 H new ATOM 0 HB3 SER A 6 32.434 1.706 -13.514 1.00 0.00 H new ATOM 0 HG SER A 6 29.816 0.771 -13.888 1.00 0.00 H new ATOM 59 N GLY A 7 31.373 4.990 -13.296 1.00 0.00 N ATOM 60 CA GLY A 7 32.086 6.230 -13.049 1.00 0.00 C ATOM 61 C GLY A 7 31.455 7.412 -13.757 1.00 0.00 C ATOM 62 O GLY A 7 32.154 8.240 -14.340 1.00 0.00 O ATOM 0 H GLY A 7 30.821 4.977 -14.154 1.00 0.00 H new ATOM 0 HA2 GLY A 7 32.111 6.424 -11.977 1.00 0.00 H new ATOM 0 HA3 GLY A 7 33.120 6.123 -13.378 1.00 0.00 H new ATOM 66 N GLY A 8 30.129 7.492 -13.708 1.00 0.00 N ATOM 67 CA GLY A 8 29.427 8.584 -14.356 1.00 0.00 C ATOM 68 C GLY A 8 29.042 9.683 -13.385 1.00 0.00 C ATOM 69 O GLY A 8 28.344 9.452 -12.398 1.00 0.00 O ATOM 0 H GLY A 8 29.528 6.820 -13.231 1.00 0.00 H new ATOM 0 HA2 GLY A 8 30.057 9.002 -15.141 1.00 0.00 H new ATOM 0 HA3 GLY A 8 28.529 8.199 -14.839 1.00 0.00 H new ATOM 73 N PRO A 9 29.506 10.911 -13.661 1.00 0.00 N ATOM 74 CA PRO A 9 29.220 12.073 -12.816 1.00 0.00 C ATOM 75 C PRO A 9 27.758 12.501 -12.893 1.00 0.00 C ATOM 76 O PRO A 9 27.304 13.337 -12.112 1.00 0.00 O ATOM 77 CB PRO A 9 30.127 13.163 -13.392 1.00 0.00 C ATOM 78 CG PRO A 9 30.347 12.762 -14.810 1.00 0.00 C ATOM 79 CD PRO A 9 30.344 11.259 -14.821 1.00 0.00 C ATOM 0 HA PRO A 9 29.399 11.863 -11.761 1.00 0.00 H new ATOM 0 HB2 PRO A 9 29.657 14.144 -13.326 1.00 0.00 H new ATOM 0 HB3 PRO A 9 31.069 13.223 -12.847 1.00 0.00 H new ATOM 0 HG2 PRO A 9 29.562 13.158 -15.454 1.00 0.00 H new ATOM 0 HG3 PRO A 9 31.293 13.153 -15.184 1.00 0.00 H new ATOM 0 HD2 PRO A 9 29.930 10.865 -15.749 1.00 0.00 H new ATOM 0 HD3 PRO A 9 31.352 10.854 -14.725 1.00 0.00 H new ATOM 87 N SER A 10 27.026 11.922 -13.840 1.00 0.00 N ATOM 88 CA SER A 10 25.616 12.246 -14.021 1.00 0.00 C ATOM 89 C SER A 10 24.730 11.100 -13.543 1.00 0.00 C ATOM 90 O SER A 10 24.891 9.957 -13.969 1.00 0.00 O ATOM 91 CB SER A 10 25.326 12.551 -15.492 1.00 0.00 C ATOM 92 OG SER A 10 25.577 11.419 -16.306 1.00 0.00 O ATOM 0 H SER A 10 27.386 11.226 -14.493 1.00 0.00 H new ATOM 0 HA SER A 10 25.392 13.129 -13.423 1.00 0.00 H new ATOM 0 HB2 SER A 10 24.287 12.861 -15.605 1.00 0.00 H new ATOM 0 HB3 SER A 10 25.945 13.385 -15.823 1.00 0.00 H new ATOM 0 HG SER A 10 25.414 10.602 -15.790 1.00 0.00 H new ATOM 98 N ARG A 11 23.793 11.416 -12.655 1.00 0.00 N ATOM 99 CA ARG A 11 22.880 10.414 -12.117 1.00 0.00 C ATOM 100 C ARG A 11 21.726 11.075 -11.369 1.00 0.00 C ATOM 101 O ARG A 11 21.824 12.228 -10.952 1.00 0.00 O ATOM 102 CB ARG A 11 23.629 9.462 -11.183 1.00 0.00 C ATOM 103 CG ARG A 11 24.241 10.150 -9.974 1.00 0.00 C ATOM 104 CD ARG A 11 24.553 9.157 -8.866 1.00 0.00 C ATOM 105 NE ARG A 11 25.856 8.523 -9.050 1.00 0.00 N ATOM 106 CZ ARG A 11 26.287 7.502 -8.318 1.00 0.00 C ATOM 107 NH1 ARG A 11 25.522 7.001 -7.358 1.00 0.00 N ATOM 108 NH2 ARG A 11 27.485 6.978 -8.546 1.00 0.00 N ATOM 0 H ARG A 11 23.646 12.358 -12.293 1.00 0.00 H new ATOM 0 HA ARG A 11 22.470 9.846 -12.952 1.00 0.00 H new ATOM 0 HB2 ARG A 11 22.942 8.688 -10.841 1.00 0.00 H new ATOM 0 HB3 ARG A 11 24.419 8.962 -11.744 1.00 0.00 H new ATOM 0 HG2 ARG A 11 25.155 10.664 -10.271 1.00 0.00 H new ATOM 0 HG3 ARG A 11 23.555 10.910 -9.600 1.00 0.00 H new ATOM 0 HD2 ARG A 11 24.532 9.669 -7.904 1.00 0.00 H new ATOM 0 HD3 ARG A 11 23.778 8.391 -8.837 1.00 0.00 H new ATOM 0 HE ARG A 11 26.469 8.884 -9.781 1.00 0.00 H new ATOM 0 HH11 ARG A 11 24.600 7.400 -7.180 1.00 0.00 H new ATOM 0 HH12 ARG A 11 25.855 6.217 -6.797 1.00 0.00 H new ATOM 0 HH21 ARG A 11 28.076 7.359 -9.284 1.00 0.00 H new ATOM 0 HH22 ARG A 11 27.814 6.194 -7.983 1.00 0.00 H new ATOM 122 N MET A 12 20.634 10.336 -11.205 1.00 0.00 N ATOM 123 CA MET A 12 19.462 10.850 -10.507 1.00 0.00 C ATOM 124 C MET A 12 19.694 10.875 -8.999 1.00 0.00 C ATOM 125 O MET A 12 19.828 9.828 -8.365 1.00 0.00 O ATOM 126 CB MET A 12 18.234 9.997 -10.831 1.00 0.00 C ATOM 127 CG MET A 12 17.687 10.228 -12.231 1.00 0.00 C ATOM 128 SD MET A 12 16.681 8.852 -12.819 1.00 0.00 S ATOM 129 CE MET A 12 15.471 8.730 -11.503 1.00 0.00 C ATOM 0 H MET A 12 20.536 9.380 -11.546 1.00 0.00 H new ATOM 0 HA MET A 12 19.287 11.871 -10.847 1.00 0.00 H new ATOM 0 HB2 MET A 12 18.493 8.944 -10.720 1.00 0.00 H new ATOM 0 HB3 MET A 12 17.451 10.211 -10.104 1.00 0.00 H new ATOM 0 HG2 MET A 12 17.089 11.139 -12.237 1.00 0.00 H new ATOM 0 HG3 MET A 12 18.517 10.387 -12.920 1.00 0.00 H new ATOM 0 HE1 MET A 12 15.049 7.725 -11.489 1.00 0.00 H new ATOM 0 HE2 MET A 12 15.952 8.936 -10.547 1.00 0.00 H new ATOM 0 HE3 MET A 12 14.675 9.455 -11.672 1.00 0.00 H new ATOM 139 N ARG A 13 19.741 12.076 -8.432 1.00 0.00 N ATOM 140 CA ARG A 13 19.958 12.236 -6.999 1.00 0.00 C ATOM 141 C ARG A 13 18.781 12.955 -6.347 1.00 0.00 C ATOM 142 O ARG A 13 18.849 14.151 -6.066 1.00 0.00 O ATOM 143 CB ARG A 13 21.250 13.014 -6.742 1.00 0.00 C ATOM 144 CG ARG A 13 21.299 14.362 -7.443 1.00 0.00 C ATOM 145 CD ARG A 13 22.716 14.912 -7.494 1.00 0.00 C ATOM 146 NE ARG A 13 23.581 14.118 -8.362 1.00 0.00 N ATOM 147 CZ ARG A 13 24.907 14.196 -8.349 1.00 0.00 C ATOM 148 NH1 ARG A 13 25.517 15.027 -7.516 1.00 0.00 N ATOM 149 NH2 ARG A 13 25.625 13.440 -9.169 1.00 0.00 N ATOM 0 H ARG A 13 19.632 12.952 -8.943 1.00 0.00 H new ATOM 0 HA ARG A 13 20.045 11.243 -6.557 1.00 0.00 H new ATOM 0 HB2 ARG A 13 21.364 13.168 -5.669 1.00 0.00 H new ATOM 0 HB3 ARG A 13 22.098 12.412 -7.070 1.00 0.00 H new ATOM 0 HG2 ARG A 13 20.910 14.261 -8.456 1.00 0.00 H new ATOM 0 HG3 ARG A 13 20.652 15.068 -6.922 1.00 0.00 H new ATOM 0 HD2 ARG A 13 22.692 15.942 -7.850 1.00 0.00 H new ATOM 0 HD3 ARG A 13 23.133 14.932 -6.487 1.00 0.00 H new ATOM 0 HE ARG A 13 23.143 13.468 -9.014 1.00 0.00 H new ATOM 0 HH11 ARG A 13 24.968 15.609 -6.883 1.00 0.00 H new ATOM 0 HH12 ARG A 13 26.535 15.085 -7.508 1.00 0.00 H new ATOM 0 HH21 ARG A 13 25.159 12.798 -9.810 1.00 0.00 H new ATOM 0 HH22 ARG A 13 26.643 13.501 -9.158 1.00 0.00 H new ATOM 163 N HIS A 14 17.701 12.216 -6.111 1.00 0.00 N ATOM 164 CA HIS A 14 16.508 12.783 -5.492 1.00 0.00 C ATOM 165 C HIS A 14 15.575 11.680 -5.000 1.00 0.00 C ATOM 166 O HIS A 14 15.508 10.602 -5.590 1.00 0.00 O ATOM 167 CB HIS A 14 15.772 13.684 -6.484 1.00 0.00 C ATOM 168 CG HIS A 14 15.683 13.108 -7.864 1.00 0.00 C ATOM 169 ND1 HIS A 14 14.915 12.006 -8.171 1.00 0.00 N ATOM 170 CD2 HIS A 14 16.271 13.490 -9.022 1.00 0.00 C ATOM 171 CE1 HIS A 14 15.035 11.733 -9.458 1.00 0.00 C ATOM 172 NE2 HIS A 14 15.852 12.619 -9.998 1.00 0.00 N ATOM 0 H HIS A 14 17.628 11.224 -6.339 1.00 0.00 H new ATOM 0 HA HIS A 14 16.822 13.379 -4.635 1.00 0.00 H new ATOM 0 HB2 HIS A 14 14.765 13.873 -6.112 1.00 0.00 H new ATOM 0 HB3 HIS A 14 16.280 14.647 -6.533 1.00 0.00 H new ATOM 0 HD2 HIS A 14 16.944 14.324 -9.154 1.00 0.00 H new ATOM 0 HE1 HIS A 14 14.548 10.923 -9.980 1.00 0.00 H new ATOM 0 HE2 HIS A 14 16.127 12.651 -10.980 1.00 0.00 H new ATOM 180 N GLU A 15 14.858 11.958 -3.915 1.00 0.00 N ATOM 181 CA GLU A 15 13.931 10.989 -3.344 1.00 0.00 C ATOM 182 C GLU A 15 12.514 11.552 -3.299 1.00 0.00 C ATOM 183 O GLU A 15 12.243 12.525 -2.595 1.00 0.00 O ATOM 184 CB GLU A 15 14.379 10.591 -1.936 1.00 0.00 C ATOM 185 CG GLU A 15 15.499 9.565 -1.920 1.00 0.00 C ATOM 186 CD GLU A 15 15.101 8.256 -2.572 1.00 0.00 C ATOM 187 OE1 GLU A 15 15.095 8.191 -3.819 1.00 0.00 O ATOM 188 OE2 GLU A 15 14.795 7.295 -1.835 1.00 0.00 O ATOM 0 H GLU A 15 14.902 12.846 -3.415 1.00 0.00 H new ATOM 0 HA GLU A 15 13.931 10.105 -3.981 1.00 0.00 H new ATOM 0 HB2 GLU A 15 14.708 11.483 -1.403 1.00 0.00 H new ATOM 0 HB3 GLU A 15 13.524 10.191 -1.391 1.00 0.00 H new ATOM 0 HG2 GLU A 15 16.368 9.974 -2.435 1.00 0.00 H new ATOM 0 HG3 GLU A 15 15.799 9.377 -0.889 1.00 0.00 H new ATOM 195 N ARG A 16 11.613 10.933 -4.055 1.00 0.00 N ATOM 196 CA ARG A 16 10.224 11.373 -4.104 1.00 0.00 C ATOM 197 C ARG A 16 9.298 10.318 -3.505 1.00 0.00 C ATOM 198 O ARG A 16 8.671 9.545 -4.229 1.00 0.00 O ATOM 199 CB ARG A 16 9.811 11.670 -5.547 1.00 0.00 C ATOM 200 CG ARG A 16 10.760 12.612 -6.270 1.00 0.00 C ATOM 201 CD ARG A 16 11.063 13.846 -5.436 1.00 0.00 C ATOM 202 NE ARG A 16 9.854 14.601 -5.115 1.00 0.00 N ATOM 203 CZ ARG A 16 9.772 15.463 -4.108 1.00 0.00 C ATOM 204 NH1 ARG A 16 10.822 15.679 -3.328 1.00 0.00 N ATOM 205 NH2 ARG A 16 8.637 16.111 -3.879 1.00 0.00 N ATOM 0 H ARG A 16 11.820 10.125 -4.642 1.00 0.00 H new ATOM 0 HA ARG A 16 10.137 12.285 -3.514 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.752 10.732 -6.100 1.00 0.00 H new ATOM 0 HB3 ARG A 16 8.811 12.104 -5.548 1.00 0.00 H new ATOM 0 HG2 ARG A 16 11.689 12.089 -6.499 1.00 0.00 H new ATOM 0 HG3 ARG A 16 10.321 12.913 -7.221 1.00 0.00 H new ATOM 0 HD2 ARG A 16 11.559 13.547 -4.513 1.00 0.00 H new ATOM 0 HD3 ARG A 16 11.758 14.488 -5.978 1.00 0.00 H new ATOM 0 HE ARG A 16 9.028 14.458 -5.696 1.00 0.00 H new ATOM 0 HH11 ARG A 16 11.696 15.183 -3.500 1.00 0.00 H new ATOM 0 HH12 ARG A 16 10.756 16.342 -2.555 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.827 15.947 -4.477 1.00 0.00 H new ATOM 0 HH22 ARG A 16 8.575 16.773 -3.105 1.00 0.00 H new ATOM 219 N VAL A 17 9.218 10.293 -2.179 1.00 0.00 N ATOM 220 CA VAL A 17 8.369 9.334 -1.482 1.00 0.00 C ATOM 221 C VAL A 17 7.309 10.043 -0.648 1.00 0.00 C ATOM 222 O VAL A 17 7.594 11.032 0.028 1.00 0.00 O ATOM 223 CB VAL A 17 9.197 8.413 -0.566 1.00 0.00 C ATOM 224 CG1 VAL A 17 8.296 7.408 0.136 1.00 0.00 C ATOM 225 CG2 VAL A 17 10.281 7.704 -1.363 1.00 0.00 C ATOM 0 H VAL A 17 9.731 10.926 -1.565 1.00 0.00 H new ATOM 0 HA VAL A 17 7.881 8.730 -2.246 1.00 0.00 H new ATOM 0 HB VAL A 17 9.680 9.026 0.195 1.00 0.00 H new ATOM 0 HG11 VAL A 17 8.898 6.766 0.779 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.560 7.939 0.740 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.783 6.798 -0.607 1.00 0.00 H new ATOM 0 HG21 VAL A 17 10.856 7.058 -0.700 1.00 0.00 H new ATOM 0 HG22 VAL A 17 9.821 7.103 -2.147 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.943 8.443 -1.814 1.00 0.00 H new ATOM 235 N VAL A 18 6.083 9.531 -0.699 1.00 0.00 N ATOM 236 CA VAL A 18 4.979 10.114 0.054 1.00 0.00 C ATOM 237 C VAL A 18 4.519 9.180 1.168 1.00 0.00 C ATOM 238 O VAL A 18 4.506 7.960 1.002 1.00 0.00 O ATOM 239 CB VAL A 18 3.782 10.432 -0.861 1.00 0.00 C ATOM 240 CG1 VAL A 18 4.255 11.072 -2.157 1.00 0.00 C ATOM 241 CG2 VAL A 18 2.977 9.172 -1.142 1.00 0.00 C ATOM 0 H VAL A 18 5.830 8.714 -1.254 1.00 0.00 H new ATOM 0 HA VAL A 18 5.349 11.041 0.491 1.00 0.00 H new ATOM 0 HB VAL A 18 3.134 11.143 -0.348 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.395 11.289 -2.790 1.00 0.00 H new ATOM 0 HG12 VAL A 18 4.784 11.998 -1.933 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.925 10.388 -2.677 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.135 9.415 -1.790 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.613 8.436 -1.634 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.606 8.761 -0.203 1.00 0.00 H new ATOM 251 N ILE A 19 4.144 9.761 2.302 1.00 0.00 N ATOM 252 CA ILE A 19 3.681 8.981 3.443 1.00 0.00 C ATOM 253 C ILE A 19 2.168 9.077 3.599 1.00 0.00 C ATOM 254 O ILE A 19 1.563 10.097 3.264 1.00 0.00 O ATOM 255 CB ILE A 19 4.351 9.443 4.750 1.00 0.00 C ATOM 256 CG1 ILE A 19 5.848 9.669 4.530 1.00 0.00 C ATOM 257 CG2 ILE A 19 4.121 8.422 5.854 1.00 0.00 C ATOM 258 CD1 ILE A 19 6.556 8.478 3.922 1.00 0.00 C ATOM 0 H ILE A 19 4.152 10.769 2.455 1.00 0.00 H new ATOM 0 HA ILE A 19 3.958 7.945 3.249 1.00 0.00 H new ATOM 0 HB ILE A 19 3.901 10.387 5.056 1.00 0.00 H new ATOM 0 HG12 ILE A 19 5.985 10.533 3.880 1.00 0.00 H new ATOM 0 HG13 ILE A 19 6.315 9.911 5.485 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.601 8.763 6.771 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.051 8.307 6.026 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.546 7.463 5.557 1.00 0.00 H new ATOM 0 HD11 ILE A 19 7.613 8.709 3.794 1.00 0.00 H new ATOM 0 HD12 ILE A 19 6.450 7.616 4.581 1.00 0.00 H new ATOM 0 HD13 ILE A 19 6.115 8.249 2.952 1.00 0.00 H new ATOM 270 N ILE A 20 1.562 8.011 4.110 1.00 0.00 N ATOM 271 CA ILE A 20 0.119 7.978 4.313 1.00 0.00 C ATOM 272 C ILE A 20 -0.228 7.508 5.722 1.00 0.00 C ATOM 273 O ILE A 20 0.353 6.548 6.229 1.00 0.00 O ATOM 274 CB ILE A 20 -0.572 7.054 3.292 1.00 0.00 C ATOM 275 CG1 ILE A 20 0.053 7.232 1.906 1.00 0.00 C ATOM 276 CG2 ILE A 20 -2.066 7.339 3.246 1.00 0.00 C ATOM 277 CD1 ILE A 20 -0.470 8.439 1.158 1.00 0.00 C ATOM 0 H ILE A 20 2.047 7.159 4.391 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.242 8.997 4.173 1.00 0.00 H new ATOM 0 HB ILE A 20 -0.429 6.020 3.605 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.134 7.321 2.013 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.136 6.337 1.313 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.540 6.678 2.520 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.500 7.167 4.231 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.230 8.376 2.954 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.016 8.503 0.185 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -1.547 8.343 1.020 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.257 9.342 1.730 1.00 0.00 H new ATOM 289 N LYS A 21 -1.180 8.190 6.349 1.00 0.00 N ATOM 290 CA LYS A 21 -1.608 7.842 7.699 1.00 0.00 C ATOM 291 C LYS A 21 -3.093 7.496 7.727 1.00 0.00 C ATOM 292 O LYS A 21 -3.862 7.954 6.883 1.00 0.00 O ATOM 293 CB LYS A 21 -1.325 8.999 8.660 1.00 0.00 C ATOM 294 CG LYS A 21 0.098 9.523 8.579 1.00 0.00 C ATOM 295 CD LYS A 21 1.107 8.389 8.499 1.00 0.00 C ATOM 296 CE LYS A 21 2.443 8.788 9.107 1.00 0.00 C ATOM 297 NZ LYS A 21 3.019 9.989 8.441 1.00 0.00 N ATOM 0 H LYS A 21 -1.670 8.987 5.944 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.043 6.966 8.018 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.016 9.814 8.447 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.525 8.670 9.680 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.201 10.165 7.704 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.310 10.139 9.453 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.716 7.515 9.020 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.251 8.102 7.457 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.312 8.990 10.170 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.143 7.956 9.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 4.057 9.937 8.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.700 10.024 7.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.703 10.846 8.937 1.00 0.00 H new ATOM 311 N ASN A 22 -3.489 6.686 8.703 1.00 0.00 N ATOM 312 CA ASN A 22 -4.883 6.279 8.841 1.00 0.00 C ATOM 313 C ASN A 22 -5.359 5.539 7.595 1.00 0.00 C ATOM 314 O ASN A 22 -6.390 5.878 7.016 1.00 0.00 O ATOM 315 CB ASN A 22 -5.769 7.500 9.093 1.00 0.00 C ATOM 316 CG ASN A 22 -6.973 7.173 9.955 1.00 0.00 C ATOM 317 OD1 ASN A 22 -6.840 6.889 11.145 1.00 0.00 O ATOM 318 ND2 ASN A 22 -8.158 7.211 9.355 1.00 0.00 N ATOM 0 H ASN A 22 -2.865 6.298 9.410 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.956 5.603 9.693 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.180 8.279 9.577 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -6.108 7.903 8.139 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -9.004 7.000 9.884 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.221 7.452 8.366 1.00 0.00 H new ATOM 325 N MET A 23 -4.601 4.525 7.190 1.00 0.00 N ATOM 326 CA MET A 23 -4.947 3.736 6.013 1.00 0.00 C ATOM 327 C MET A 23 -5.024 2.252 6.358 1.00 0.00 C ATOM 328 O MET A 23 -5.695 1.479 5.674 1.00 0.00 O ATOM 329 CB MET A 23 -3.920 3.960 4.902 1.00 0.00 C ATOM 330 CG MET A 23 -2.484 3.734 5.346 1.00 0.00 C ATOM 331 SD MET A 23 -1.385 3.346 3.971 1.00 0.00 S ATOM 332 CE MET A 23 -2.213 1.923 3.266 1.00 0.00 C ATOM 0 H MET A 23 -3.744 4.231 7.659 1.00 0.00 H new ATOM 0 HA MET A 23 -5.927 4.062 5.663 1.00 0.00 H new ATOM 0 HB2 MET A 23 -4.144 3.291 4.071 1.00 0.00 H new ATOM 0 HB3 MET A 23 -4.019 4.979 4.527 1.00 0.00 H new ATOM 0 HG2 MET A 23 -2.121 4.626 5.856 1.00 0.00 H new ATOM 0 HG3 MET A 23 -2.455 2.920 6.070 1.00 0.00 H new ATOM 0 HE1 MET A 23 -1.477 1.154 3.029 1.00 0.00 H new ATOM 0 HE2 MET A 23 -2.932 1.528 3.983 1.00 0.00 H new ATOM 0 HE3 MET A 23 -2.734 2.219 2.356 1.00 0.00 H new ATOM 342 N PHE A 24 -4.332 1.860 7.423 1.00 0.00 N ATOM 343 CA PHE A 24 -4.322 0.468 7.858 1.00 0.00 C ATOM 344 C PHE A 24 -3.925 0.360 9.327 1.00 0.00 C ATOM 345 O PHE A 24 -3.612 1.361 9.972 1.00 0.00 O ATOM 346 CB PHE A 24 -3.357 -0.350 6.996 1.00 0.00 C ATOM 347 CG PHE A 24 -1.912 -0.015 7.231 1.00 0.00 C ATOM 348 CD1 PHE A 24 -1.247 -0.500 8.345 1.00 0.00 C ATOM 349 CD2 PHE A 24 -1.219 0.784 6.337 1.00 0.00 C ATOM 350 CE1 PHE A 24 0.082 -0.193 8.564 1.00 0.00 C ATOM 351 CE2 PHE A 24 0.111 1.095 6.550 1.00 0.00 C ATOM 352 CZ PHE A 24 0.763 0.605 7.664 1.00 0.00 C ATOM 0 H PHE A 24 -3.771 2.486 8.000 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.330 0.070 7.742 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.513 -1.410 7.196 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.593 -0.186 5.945 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.774 -1.125 9.051 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.724 1.169 5.463 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.588 -0.576 9.438 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.639 1.721 5.846 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.803 0.845 7.832 1.00 0.00 H new ATOM 362 N HIS A 25 -3.941 -0.862 9.850 1.00 0.00 N ATOM 363 CA HIS A 25 -3.583 -1.102 11.243 1.00 0.00 C ATOM 364 C HIS A 25 -2.900 -2.457 11.403 1.00 0.00 C ATOM 365 O HIS A 25 -3.298 -3.455 10.802 1.00 0.00 O ATOM 366 CB HIS A 25 -4.827 -1.037 12.130 1.00 0.00 C ATOM 367 CG HIS A 25 -4.541 -0.593 13.532 1.00 0.00 C ATOM 368 ND1 HIS A 25 -4.266 -1.472 14.558 1.00 0.00 N ATOM 369 CD2 HIS A 25 -4.486 0.646 14.074 1.00 0.00 C ATOM 370 CE1 HIS A 25 -4.056 -0.793 15.672 1.00 0.00 C ATOM 371 NE2 HIS A 25 -4.184 0.495 15.405 1.00 0.00 N ATOM 0 H HIS A 25 -4.198 -1.701 9.330 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.885 -0.324 11.552 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -5.548 -0.354 11.681 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -5.295 -2.021 12.158 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -4.649 1.580 13.556 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -3.820 -1.218 16.636 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -4.076 1.254 16.078 1.00 0.00 H new ATOM 379 N PRO A 26 -1.847 -2.496 12.233 1.00 0.00 N ATOM 380 CA PRO A 26 -1.087 -3.722 12.491 1.00 0.00 C ATOM 381 C PRO A 26 -1.884 -4.740 13.299 1.00 0.00 C ATOM 382 O PRO A 26 -1.373 -5.801 13.656 1.00 0.00 O ATOM 383 CB PRO A 26 0.120 -3.229 13.293 1.00 0.00 C ATOM 384 CG PRO A 26 -0.345 -1.972 13.943 1.00 0.00 C ATOM 385 CD PRO A 26 -1.317 -1.345 12.983 1.00 0.00 C ATOM 0 HA PRO A 26 -0.821 -4.238 11.568 1.00 0.00 H new ATOM 0 HB2 PRO A 26 0.431 -3.966 14.033 1.00 0.00 H new ATOM 0 HB3 PRO A 26 0.978 -3.046 12.646 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -0.822 -2.181 14.901 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.492 -1.303 14.143 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -2.108 -0.808 13.506 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -0.826 -0.628 12.325 1.00 0.00 H new ATOM 393 N MET A 27 -3.139 -4.409 13.584 1.00 0.00 N ATOM 394 CA MET A 27 -4.008 -5.295 14.349 1.00 0.00 C ATOM 395 C MET A 27 -4.907 -6.108 13.423 1.00 0.00 C ATOM 396 O MET A 27 -5.292 -7.232 13.745 1.00 0.00 O ATOM 397 CB MET A 27 -4.862 -4.488 15.329 1.00 0.00 C ATOM 398 CG MET A 27 -5.707 -5.350 16.252 1.00 0.00 C ATOM 399 SD MET A 27 -4.864 -5.750 17.795 1.00 0.00 S ATOM 400 CE MET A 27 -3.483 -6.714 17.185 1.00 0.00 C ATOM 0 H MET A 27 -3.577 -3.534 13.297 1.00 0.00 H new ATOM 0 HA MET A 27 -3.377 -5.984 14.911 1.00 0.00 H new ATOM 0 HB2 MET A 27 -4.209 -3.856 15.932 1.00 0.00 H new ATOM 0 HB3 MET A 27 -5.517 -3.824 14.765 1.00 0.00 H new ATOM 0 HG2 MET A 27 -6.639 -4.830 16.476 1.00 0.00 H new ATOM 0 HG3 MET A 27 -5.973 -6.274 15.738 1.00 0.00 H new ATOM 0 HE1 MET A 27 -3.055 -7.294 18.002 1.00 0.00 H new ATOM 0 HE2 MET A 27 -3.828 -7.389 16.402 1.00 0.00 H new ATOM 0 HE3 MET A 27 -2.724 -6.046 16.779 1.00 0.00 H new ATOM 410 N ASP A 28 -5.239 -5.532 12.273 1.00 0.00 N ATOM 411 CA ASP A 28 -6.093 -6.203 11.300 1.00 0.00 C ATOM 412 C ASP A 28 -5.356 -7.365 10.641 1.00 0.00 C ATOM 413 O ASP A 28 -5.952 -8.399 10.337 1.00 0.00 O ATOM 414 CB ASP A 28 -6.565 -5.213 10.235 1.00 0.00 C ATOM 415 CG ASP A 28 -7.454 -4.126 10.807 1.00 0.00 C ATOM 416 OD1 ASP A 28 -6.965 -3.338 11.644 1.00 0.00 O ATOM 417 OD2 ASP A 28 -8.639 -4.064 10.419 1.00 0.00 O ATOM 0 H ASP A 28 -4.930 -4.602 11.992 1.00 0.00 H new ATOM 0 HA ASP A 28 -6.961 -6.598 11.827 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.698 -4.756 9.759 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -7.108 -5.751 9.458 1.00 0.00 H new ATOM 422 N PHE A 29 -4.058 -7.188 10.422 1.00 0.00 N ATOM 423 CA PHE A 29 -3.240 -8.221 9.797 1.00 0.00 C ATOM 424 C PHE A 29 -3.128 -9.446 10.700 1.00 0.00 C ATOM 425 O PHE A 29 -2.918 -10.562 10.225 1.00 0.00 O ATOM 426 CB PHE A 29 -1.844 -7.676 9.484 1.00 0.00 C ATOM 427 CG PHE A 29 -1.854 -6.266 8.967 1.00 0.00 C ATOM 428 CD1 PHE A 29 -2.741 -5.884 7.973 1.00 0.00 C ATOM 429 CD2 PHE A 29 -0.976 -5.322 9.475 1.00 0.00 C ATOM 430 CE1 PHE A 29 -2.751 -4.587 7.495 1.00 0.00 C ATOM 431 CE2 PHE A 29 -0.982 -4.023 9.001 1.00 0.00 C ATOM 432 CZ PHE A 29 -1.872 -3.655 8.010 1.00 0.00 C ATOM 0 H PHE A 29 -3.549 -6.339 10.668 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.724 -8.519 8.867 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.235 -7.719 10.387 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.367 -8.322 8.746 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.432 -6.608 7.567 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.279 -5.604 10.250 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.446 -4.303 6.719 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.292 -3.297 9.405 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.880 -2.641 7.639 1.00 0.00 H new ATOM 442 N GLU A 30 -3.270 -9.229 12.003 1.00 0.00 N ATOM 443 CA GLU A 30 -3.184 -10.315 12.972 1.00 0.00 C ATOM 444 C GLU A 30 -4.375 -11.260 12.837 1.00 0.00 C ATOM 445 O GLU A 30 -4.324 -12.407 13.282 1.00 0.00 O ATOM 446 CB GLU A 30 -3.121 -9.756 14.395 1.00 0.00 C ATOM 447 CG GLU A 30 -1.867 -8.945 14.675 1.00 0.00 C ATOM 448 CD GLU A 30 -1.437 -9.018 16.127 1.00 0.00 C ATOM 449 OE1 GLU A 30 -1.607 -10.090 16.743 1.00 0.00 O ATOM 450 OE2 GLU A 30 -0.930 -8.001 16.647 1.00 0.00 O ATOM 0 H GLU A 30 -3.445 -8.311 12.412 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.272 -10.876 12.770 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.995 -9.129 14.569 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.175 -10.582 15.104 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.057 -9.306 14.041 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.044 -7.904 14.404 1.00 0.00 H new ATOM 457 N ASP A 31 -5.445 -10.769 12.222 1.00 0.00 N ATOM 458 CA ASP A 31 -6.649 -11.568 12.028 1.00 0.00 C ATOM 459 C ASP A 31 -6.671 -12.189 10.634 1.00 0.00 C ATOM 460 O ASP A 31 -7.148 -13.309 10.450 1.00 0.00 O ATOM 461 CB ASP A 31 -7.897 -10.709 12.236 1.00 0.00 C ATOM 462 CG ASP A 31 -9.136 -11.541 12.498 1.00 0.00 C ATOM 463 OD1 ASP A 31 -9.370 -11.907 13.670 1.00 0.00 O ATOM 464 OD2 ASP A 31 -9.874 -11.826 11.532 1.00 0.00 O ATOM 0 H ASP A 31 -5.503 -9.821 11.849 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.644 -12.371 12.765 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.733 -10.033 13.075 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.059 -10.089 11.354 1.00 0.00 H new ATOM 469 N ASP A 32 -6.152 -11.454 9.657 1.00 0.00 N ATOM 470 CA ASP A 32 -6.112 -11.931 8.280 1.00 0.00 C ATOM 471 C ASP A 32 -5.130 -11.112 7.449 1.00 0.00 C ATOM 472 O ASP A 32 -5.044 -9.890 7.571 1.00 0.00 O ATOM 473 CB ASP A 32 -7.506 -11.867 7.654 1.00 0.00 C ATOM 474 CG ASP A 32 -8.313 -13.125 7.909 1.00 0.00 C ATOM 475 OD1 ASP A 32 -8.065 -14.139 7.223 1.00 0.00 O ATOM 476 OD2 ASP A 32 -9.192 -13.096 8.795 1.00 0.00 O ATOM 0 H ASP A 32 -5.753 -10.525 9.793 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.775 -12.967 8.291 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.042 -11.007 8.055 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.412 -11.711 6.579 1.00 0.00 H new ATOM 481 N PRO A 33 -4.369 -11.798 6.583 1.00 0.00 N ATOM 482 CA PRO A 33 -3.379 -11.154 5.716 1.00 0.00 C ATOM 483 C PRO A 33 -4.027 -10.307 4.625 1.00 0.00 C ATOM 484 O PRO A 33 -3.544 -9.222 4.298 1.00 0.00 O ATOM 485 CB PRO A 33 -2.626 -12.335 5.099 1.00 0.00 C ATOM 486 CG PRO A 33 -3.593 -13.467 5.145 1.00 0.00 C ATOM 487 CD PRO A 33 -4.418 -13.257 6.385 1.00 0.00 C ATOM 0 HA PRO A 33 -2.740 -10.465 6.269 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.319 -12.118 4.076 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -1.721 -12.565 5.661 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.222 -13.479 4.255 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.072 -14.424 5.180 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.440 -13.611 6.252 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -4.004 -13.793 7.239 1.00 0.00 H new ATOM 495 N LEU A 34 -5.122 -10.809 4.066 1.00 0.00 N ATOM 496 CA LEU A 34 -5.837 -10.098 3.012 1.00 0.00 C ATOM 497 C LEU A 34 -5.821 -8.594 3.262 1.00 0.00 C ATOM 498 O LEU A 34 -5.504 -7.809 2.368 1.00 0.00 O ATOM 499 CB LEU A 34 -7.281 -10.596 2.923 1.00 0.00 C ATOM 500 CG LEU A 34 -7.494 -11.907 2.165 1.00 0.00 C ATOM 501 CD1 LEU A 34 -7.551 -11.654 0.667 1.00 0.00 C ATOM 502 CD2 LEU A 34 -6.391 -12.900 2.499 1.00 0.00 C ATOM 0 H LEU A 34 -5.534 -11.705 4.325 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.331 -10.296 2.067 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.665 -10.719 3.936 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.882 -9.822 2.446 1.00 0.00 H new ATOM 0 HG LEU A 34 -8.447 -12.335 2.476 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.703 -12.598 0.144 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.377 -10.978 0.443 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -6.614 -11.204 0.338 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.558 -13.827 1.951 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.426 -12.480 2.216 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.398 -13.105 3.570 1.00 0.00 H new ATOM 514 N VAL A 35 -6.162 -8.198 4.484 1.00 0.00 N ATOM 515 CA VAL A 35 -6.183 -6.787 4.853 1.00 0.00 C ATOM 516 C VAL A 35 -4.949 -6.063 4.327 1.00 0.00 C ATOM 517 O VAL A 35 -5.058 -5.081 3.592 1.00 0.00 O ATOM 518 CB VAL A 35 -6.257 -6.608 6.381 1.00 0.00 C ATOM 519 CG1 VAL A 35 -6.263 -5.131 6.746 1.00 0.00 C ATOM 520 CG2 VAL A 35 -7.486 -7.309 6.940 1.00 0.00 C ATOM 0 H VAL A 35 -6.428 -8.834 5.236 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.075 -6.354 4.400 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.373 -7.064 6.826 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.316 -5.024 7.829 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.350 -4.662 6.379 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.128 -4.647 6.291 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.523 -7.172 8.021 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.383 -6.884 6.490 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.434 -8.373 6.710 1.00 0.00 H new ATOM 530 N LEU A 36 -3.774 -6.555 4.707 1.00 0.00 N ATOM 531 CA LEU A 36 -2.517 -5.955 4.273 1.00 0.00 C ATOM 532 C LEU A 36 -2.337 -6.100 2.765 1.00 0.00 C ATOM 533 O LEU A 36 -1.787 -5.217 2.108 1.00 0.00 O ATOM 534 CB LEU A 36 -1.341 -6.604 5.004 1.00 0.00 C ATOM 535 CG LEU A 36 -0.013 -5.848 4.942 1.00 0.00 C ATOM 536 CD1 LEU A 36 -0.045 -4.636 5.860 1.00 0.00 C ATOM 537 CD2 LEU A 36 1.142 -6.768 5.310 1.00 0.00 C ATOM 0 H LEU A 36 -3.666 -7.367 5.314 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.546 -4.893 4.516 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.615 -6.731 6.051 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.188 -7.601 4.591 1.00 0.00 H new ATOM 0 HG LEU A 36 0.137 -5.500 3.920 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.908 -4.111 5.803 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.847 -3.966 5.551 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.219 -4.961 6.886 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.079 -6.213 5.261 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.997 -7.147 6.322 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.178 -7.604 4.612 1.00 0.00 H new ATOM 549 N ASN A 37 -2.805 -7.220 2.224 1.00 0.00 N ATOM 550 CA ASN A 37 -2.697 -7.480 0.793 1.00 0.00 C ATOM 551 C ASN A 37 -3.442 -6.419 -0.011 1.00 0.00 C ATOM 552 O ASN A 37 -2.839 -5.677 -0.786 1.00 0.00 O ATOM 553 CB ASN A 37 -3.249 -8.868 0.463 1.00 0.00 C ATOM 554 CG ASN A 37 -2.208 -9.959 0.625 1.00 0.00 C ATOM 555 OD1 ASN A 37 -1.155 -9.927 -0.012 1.00 0.00 O ATOM 556 ND2 ASN A 37 -2.499 -10.932 1.481 1.00 0.00 N ATOM 0 H ASN A 37 -3.262 -7.962 2.754 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.642 -7.442 0.521 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -4.099 -9.081 1.112 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.621 -8.874 -0.562 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -1.837 -11.693 1.632 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.384 -10.918 1.988 1.00 0.00 H new ATOM 563 N GLU A 38 -4.756 -6.354 0.180 1.00 0.00 N ATOM 564 CA GLU A 38 -5.583 -5.384 -0.528 1.00 0.00 C ATOM 565 C GLU A 38 -5.067 -3.965 -0.306 1.00 0.00 C ATOM 566 O GLU A 38 -5.011 -3.162 -1.238 1.00 0.00 O ATOM 567 CB GLU A 38 -7.038 -5.488 -0.066 1.00 0.00 C ATOM 568 CG GLU A 38 -7.190 -6.003 1.355 1.00 0.00 C ATOM 569 CD GLU A 38 -8.401 -5.423 2.060 1.00 0.00 C ATOM 570 OE1 GLU A 38 -9.534 -5.808 1.705 1.00 0.00 O ATOM 571 OE2 GLU A 38 -8.215 -4.584 2.966 1.00 0.00 O ATOM 0 H GLU A 38 -5.270 -6.961 0.818 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.531 -5.608 -1.593 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.505 -4.506 -0.139 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.579 -6.149 -0.743 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.271 -7.090 1.337 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.292 -5.760 1.923 1.00 0.00 H new ATOM 578 N ILE A 39 -4.693 -3.665 0.933 1.00 0.00 N ATOM 579 CA ILE A 39 -4.182 -2.344 1.277 1.00 0.00 C ATOM 580 C ILE A 39 -2.907 -2.029 0.502 1.00 0.00 C ATOM 581 O ILE A 39 -2.820 -1.008 -0.181 1.00 0.00 O ATOM 582 CB ILE A 39 -3.894 -2.226 2.785 1.00 0.00 C ATOM 583 CG1 ILE A 39 -5.198 -2.308 3.583 1.00 0.00 C ATOM 584 CG2 ILE A 39 -3.164 -0.926 3.086 1.00 0.00 C ATOM 585 CD1 ILE A 39 -4.996 -2.688 5.033 1.00 0.00 C ATOM 0 H ILE A 39 -4.734 -4.318 1.715 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.957 -1.626 1.006 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.254 -3.056 3.083 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.705 -1.344 3.536 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.857 -3.038 3.113 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.968 -0.858 4.156 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.220 -0.905 2.542 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.780 -0.082 2.776 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.962 -2.727 5.537 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.517 -3.666 5.090 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.363 -1.946 5.519 1.00 0.00 H new ATOM 597 N ARG A 40 -1.921 -2.913 0.610 1.00 0.00 N ATOM 598 CA ARG A 40 -0.651 -2.730 -0.081 1.00 0.00 C ATOM 599 C ARG A 40 -0.872 -2.490 -1.571 1.00 0.00 C ATOM 600 O ARG A 40 -0.483 -1.452 -2.107 1.00 0.00 O ATOM 601 CB ARG A 40 0.246 -3.953 0.122 1.00 0.00 C ATOM 602 CG ARG A 40 1.725 -3.664 -0.076 1.00 0.00 C ATOM 603 CD ARG A 40 2.520 -4.944 -0.278 1.00 0.00 C ATOM 604 NE ARG A 40 2.999 -5.496 0.987 1.00 0.00 N ATOM 605 CZ ARG A 40 3.803 -6.550 1.071 1.00 0.00 C ATOM 606 NH1 ARG A 40 4.217 -7.162 -0.030 1.00 0.00 N ATOM 607 NH2 ARG A 40 4.196 -6.993 2.258 1.00 0.00 N ATOM 0 H ARG A 40 -1.977 -3.764 1.170 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.160 -1.854 0.342 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.092 -4.343 1.128 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.059 -4.736 -0.573 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.857 -3.012 -0.940 1.00 0.00 H new ATOM 0 HG3 ARG A 40 2.111 -3.127 0.791 1.00 0.00 H new ATOM 0 HD2 ARG A 40 1.897 -5.682 -0.783 1.00 0.00 H new ATOM 0 HD3 ARG A 40 3.369 -4.744 -0.931 1.00 0.00 H new ATOM 0 HE ARG A 40 2.700 -5.048 1.853 1.00 0.00 H new ATOM 0 HH11 ARG A 40 3.918 -6.824 -0.945 1.00 0.00 H new ATOM 0 HH12 ARG A 40 4.834 -7.971 0.038 1.00 0.00 H new ATOM 0 HH21 ARG A 40 3.881 -6.524 3.107 1.00 0.00 H new ATOM 0 HH22 ARG A 40 4.813 -7.802 2.321 1.00 0.00 H new ATOM 621 N GLU A 41 -1.500 -3.456 -2.235 1.00 0.00 N ATOM 622 CA GLU A 41 -1.771 -3.349 -3.663 1.00 0.00 C ATOM 623 C GLU A 41 -2.543 -2.070 -3.976 1.00 0.00 C ATOM 624 O GLU A 41 -2.330 -1.443 -5.014 1.00 0.00 O ATOM 625 CB GLU A 41 -2.563 -4.566 -4.147 1.00 0.00 C ATOM 626 CG GLU A 41 -4.069 -4.374 -4.092 1.00 0.00 C ATOM 627 CD GLU A 41 -4.822 -5.688 -4.013 1.00 0.00 C ATOM 628 OE1 GLU A 41 -4.399 -6.570 -3.238 1.00 0.00 O ATOM 629 OE2 GLU A 41 -5.836 -5.833 -4.728 1.00 0.00 O ATOM 0 H GLU A 41 -1.830 -4.321 -1.806 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.815 -3.314 -4.186 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.272 -4.794 -5.172 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.293 -5.430 -3.539 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.322 -3.762 -3.226 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.394 -3.826 -4.976 1.00 0.00 H new ATOM 636 N ASP A 42 -3.439 -1.691 -3.072 1.00 0.00 N ATOM 637 CA ASP A 42 -4.242 -0.487 -3.250 1.00 0.00 C ATOM 638 C ASP A 42 -3.352 0.746 -3.379 1.00 0.00 C ATOM 639 O ASP A 42 -3.579 1.601 -4.236 1.00 0.00 O ATOM 640 CB ASP A 42 -5.208 -0.314 -2.077 1.00 0.00 C ATOM 641 CG ASP A 42 -6.530 -1.019 -2.307 1.00 0.00 C ATOM 642 OD1 ASP A 42 -6.536 -2.057 -3.001 1.00 0.00 O ATOM 643 OD2 ASP A 42 -7.560 -0.533 -1.794 1.00 0.00 O ATOM 0 H ASP A 42 -3.628 -2.200 -2.208 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.816 -0.596 -4.170 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.746 -0.702 -1.169 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.390 0.748 -1.913 1.00 0.00 H new ATOM 648 N LEU A 43 -2.341 0.831 -2.522 1.00 0.00 N ATOM 649 CA LEU A 43 -1.417 1.960 -2.538 1.00 0.00 C ATOM 650 C LEU A 43 -0.581 1.961 -3.813 1.00 0.00 C ATOM 651 O LEU A 43 -0.156 3.014 -4.288 1.00 0.00 O ATOM 652 CB LEU A 43 -0.501 1.912 -1.314 1.00 0.00 C ATOM 653 CG LEU A 43 -0.981 2.688 -0.086 1.00 0.00 C ATOM 654 CD1 LEU A 43 -0.036 2.470 1.086 1.00 0.00 C ATOM 655 CD2 LEU A 43 -1.103 4.171 -0.406 1.00 0.00 C ATOM 0 H LEU A 43 -2.140 0.132 -1.807 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.004 2.878 -2.509 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.363 0.869 -1.029 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.478 2.296 -1.602 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.966 2.315 0.193 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.393 3.030 1.950 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.001 1.409 1.331 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.962 2.816 0.818 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.446 4.707 0.479 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.131 4.558 -0.711 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.820 4.311 -1.215 1.00 0.00 H new ATOM 667 N ARG A 44 -0.351 0.773 -4.364 1.00 0.00 N ATOM 668 CA ARG A 44 0.434 0.637 -5.586 1.00 0.00 C ATOM 669 C ARG A 44 -0.414 0.950 -6.815 1.00 0.00 C ATOM 670 O ARG A 44 0.100 1.397 -7.840 1.00 0.00 O ATOM 671 CB ARG A 44 1.006 -0.778 -5.695 1.00 0.00 C ATOM 672 CG ARG A 44 2.327 -0.844 -6.443 1.00 0.00 C ATOM 673 CD ARG A 44 2.992 -2.202 -6.279 1.00 0.00 C ATOM 674 NE ARG A 44 4.197 -2.324 -7.095 1.00 0.00 N ATOM 675 CZ ARG A 44 4.880 -3.455 -7.234 1.00 0.00 C ATOM 676 NH1 ARG A 44 4.478 -4.556 -6.614 1.00 0.00 N ATOM 677 NH2 ARG A 44 5.967 -3.486 -7.994 1.00 0.00 N ATOM 0 H ARG A 44 -0.697 -0.108 -3.984 1.00 0.00 H new ATOM 0 HA ARG A 44 1.256 1.352 -5.541 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.145 -1.183 -4.693 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.280 -1.416 -6.199 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.158 -0.646 -7.501 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.994 -0.064 -6.076 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.247 -2.356 -5.231 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.287 -2.986 -6.554 1.00 0.00 H new ATOM 0 HE ARG A 44 4.533 -1.495 -7.585 1.00 0.00 H new ATOM 0 HH11 ARG A 44 3.643 -4.536 -6.029 1.00 0.00 H new ATOM 0 HH12 ARG A 44 5.004 -5.423 -6.722 1.00 0.00 H new ATOM 0 HH21 ARG A 44 6.279 -2.641 -8.472 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.491 -4.355 -8.100 1.00 0.00 H new ATOM 691 N VAL A 45 -1.718 0.713 -6.704 1.00 0.00 N ATOM 692 CA VAL A 45 -2.638 0.970 -7.805 1.00 0.00 C ATOM 693 C VAL A 45 -3.185 2.391 -7.744 1.00 0.00 C ATOM 694 O VAL A 45 -3.634 2.938 -8.751 1.00 0.00 O ATOM 695 CB VAL A 45 -3.815 -0.023 -7.796 1.00 0.00 C ATOM 696 CG1 VAL A 45 -3.326 -1.429 -7.485 1.00 0.00 C ATOM 697 CG2 VAL A 45 -4.874 0.416 -6.796 1.00 0.00 C ATOM 0 H VAL A 45 -2.160 0.343 -5.862 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.071 0.842 -8.727 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.267 -0.033 -8.788 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.172 -2.116 -7.483 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.607 -1.740 -8.243 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.848 -1.440 -6.506 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.698 -0.297 -6.803 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.437 0.457 -5.798 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.246 1.403 -7.070 1.00 0.00 H new ATOM 707 N GLU A 46 -3.144 2.985 -6.555 1.00 0.00 N ATOM 708 CA GLU A 46 -3.637 4.343 -6.362 1.00 0.00 C ATOM 709 C GLU A 46 -2.583 5.368 -6.774 1.00 0.00 C ATOM 710 O GLU A 46 -2.895 6.371 -7.416 1.00 0.00 O ATOM 711 CB GLU A 46 -4.034 4.564 -4.901 1.00 0.00 C ATOM 712 CG GLU A 46 -2.897 5.072 -4.031 1.00 0.00 C ATOM 713 CD GLU A 46 -3.362 5.496 -2.651 1.00 0.00 C ATOM 714 OE1 GLU A 46 -4.576 5.393 -2.378 1.00 0.00 O ATOM 715 OE2 GLU A 46 -2.513 5.929 -1.845 1.00 0.00 O ATOM 0 H GLU A 46 -2.774 2.547 -5.711 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.516 4.475 -6.993 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.857 5.277 -4.861 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.405 3.626 -4.488 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.143 4.291 -3.932 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.417 5.917 -4.524 1.00 0.00 H new ATOM 722 N CYS A 47 -1.336 5.107 -6.400 1.00 0.00 N ATOM 723 CA CYS A 47 -0.235 6.006 -6.729 1.00 0.00 C ATOM 724 C CYS A 47 0.172 5.856 -8.191 1.00 0.00 C ATOM 725 O CYS A 47 0.864 6.710 -8.744 1.00 0.00 O ATOM 726 CB CYS A 47 0.965 5.730 -5.822 1.00 0.00 C ATOM 727 SG CYS A 47 0.592 5.821 -4.055 1.00 0.00 S ATOM 0 H CYS A 47 -1.061 4.281 -5.869 1.00 0.00 H new ATOM 0 HA CYS A 47 -0.574 7.029 -6.569 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.358 4.739 -6.049 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.754 6.446 -6.053 1.00 0.00 H new ATOM 0 HG CYS A 47 0.187 4.659 -3.637 1.00 0.00 H new ATOM 733 N SER A 48 -0.262 4.763 -8.811 1.00 0.00 N ATOM 734 CA SER A 48 0.062 4.497 -10.208 1.00 0.00 C ATOM 735 C SER A 48 -0.874 5.264 -11.137 1.00 0.00 C ATOM 736 O SER A 48 -0.510 5.601 -12.264 1.00 0.00 O ATOM 737 CB SER A 48 -0.028 2.998 -10.498 1.00 0.00 C ATOM 738 OG SER A 48 -0.036 2.748 -11.893 1.00 0.00 O ATOM 0 H SER A 48 -0.839 4.048 -8.368 1.00 0.00 H new ATOM 0 HA SER A 48 1.083 4.834 -10.390 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.816 2.484 -10.038 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.933 2.591 -10.047 1.00 0.00 H new ATOM 0 HG SER A 48 0.573 3.372 -12.341 1.00 0.00 H new ATOM 744 N LYS A 49 -2.083 5.536 -10.657 1.00 0.00 N ATOM 745 CA LYS A 49 -3.073 6.263 -11.442 1.00 0.00 C ATOM 746 C LYS A 49 -2.442 7.470 -12.130 1.00 0.00 C ATOM 747 O LYS A 49 -2.701 7.734 -13.304 1.00 0.00 O ATOM 748 CB LYS A 49 -4.228 6.718 -10.548 1.00 0.00 C ATOM 749 CG LYS A 49 -4.909 5.580 -9.808 1.00 0.00 C ATOM 750 CD LYS A 49 -5.243 4.429 -10.741 1.00 0.00 C ATOM 751 CE LYS A 49 -6.225 3.459 -10.101 1.00 0.00 C ATOM 752 NZ LYS A 49 -7.639 3.849 -10.361 1.00 0.00 N ATOM 0 H LYS A 49 -2.401 5.263 -9.727 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.458 5.590 -12.208 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.852 7.439 -9.822 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.967 7.237 -11.159 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.259 5.224 -9.008 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.822 5.945 -9.338 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -5.667 4.820 -11.666 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.329 3.899 -11.009 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -6.048 2.455 -10.488 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -6.050 3.422 -9.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -8.277 3.163 -9.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.815 4.796 -9.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.813 3.860 -11.386 1.00 0.00 H new ATOM 766 N PHE A 50 -1.612 8.199 -11.391 1.00 0.00 N ATOM 767 CA PHE A 50 -0.944 9.378 -11.930 1.00 0.00 C ATOM 768 C PHE A 50 0.248 8.979 -12.795 1.00 0.00 C ATOM 769 O PHE A 50 0.584 9.662 -13.762 1.00 0.00 O ATOM 770 CB PHE A 50 -0.481 10.292 -10.794 1.00 0.00 C ATOM 771 CG PHE A 50 -1.453 10.367 -9.651 1.00 0.00 C ATOM 772 CD1 PHE A 50 -1.441 9.409 -8.650 1.00 0.00 C ATOM 773 CD2 PHE A 50 -2.377 11.397 -9.577 1.00 0.00 C ATOM 774 CE1 PHE A 50 -2.335 9.476 -7.598 1.00 0.00 C ATOM 775 CE2 PHE A 50 -3.273 11.469 -8.528 1.00 0.00 C ATOM 776 CZ PHE A 50 -3.252 10.508 -7.536 1.00 0.00 C ATOM 0 H PHE A 50 -1.386 7.994 -10.418 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.658 9.917 -12.552 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.480 9.937 -10.421 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.318 11.295 -11.189 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.725 8.601 -8.692 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.397 12.152 -10.349 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.317 8.722 -6.825 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -3.989 12.276 -8.484 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.950 10.563 -6.714 1.00 0.00 H new ATOM 786 N GLY A 51 0.886 7.868 -12.438 1.00 0.00 N ATOM 787 CA GLY A 51 2.034 7.397 -13.191 1.00 0.00 C ATOM 788 C GLY A 51 2.386 5.958 -12.871 1.00 0.00 C ATOM 789 O GLY A 51 1.674 5.036 -13.267 1.00 0.00 O ATOM 0 H GLY A 51 0.628 7.286 -11.641 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.828 7.489 -14.257 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.892 8.034 -12.976 1.00 0.00 H new ATOM 793 N GLN A 52 3.489 5.766 -12.155 1.00 0.00 N ATOM 794 CA GLN A 52 3.935 4.428 -11.785 1.00 0.00 C ATOM 795 C GLN A 52 4.357 4.380 -10.320 1.00 0.00 C ATOM 796 O GLN A 52 4.307 5.390 -9.617 1.00 0.00 O ATOM 797 CB GLN A 52 5.098 3.990 -12.677 1.00 0.00 C ATOM 798 CG GLN A 52 4.660 3.485 -14.043 1.00 0.00 C ATOM 799 CD GLN A 52 5.829 3.074 -14.915 1.00 0.00 C ATOM 800 OE1 GLN A 52 6.354 3.876 -15.688 1.00 0.00 O ATOM 801 NE2 GLN A 52 6.244 1.818 -14.797 1.00 0.00 N ATOM 0 H GLN A 52 4.090 6.519 -11.820 1.00 0.00 H new ATOM 0 HA GLN A 52 3.099 3.742 -11.926 1.00 0.00 H new ATOM 0 HB2 GLN A 52 5.779 4.830 -12.811 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.658 3.204 -12.170 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.991 2.634 -13.914 1.00 0.00 H new ATOM 0 HG3 GLN A 52 4.091 4.265 -14.549 1.00 0.00 H new ATOM 0 HE21 GLN A 52 5.780 1.187 -14.144 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.027 1.485 -15.360 1.00 0.00 H new ATOM 810 N ILE A 53 4.772 3.202 -9.867 1.00 0.00 N ATOM 811 CA ILE A 53 5.203 3.024 -8.486 1.00 0.00 C ATOM 812 C ILE A 53 6.663 2.586 -8.418 1.00 0.00 C ATOM 813 O ILE A 53 6.968 1.396 -8.491 1.00 0.00 O ATOM 814 CB ILE A 53 4.333 1.986 -7.754 1.00 0.00 C ATOM 815 CG1 ILE A 53 2.887 2.060 -8.248 1.00 0.00 C ATOM 816 CG2 ILE A 53 4.396 2.208 -6.250 1.00 0.00 C ATOM 817 CD1 ILE A 53 2.255 3.422 -8.063 1.00 0.00 C ATOM 0 H ILE A 53 4.819 2.357 -10.436 1.00 0.00 H new ATOM 0 HA ILE A 53 5.092 3.990 -7.994 1.00 0.00 H new ATOM 0 HB ILE A 53 4.721 0.991 -7.972 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.859 1.796 -9.305 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.292 1.317 -7.717 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.776 1.466 -5.746 1.00 0.00 H new ATOM 0 HG22 ILE A 53 5.427 2.110 -5.911 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.030 3.207 -6.014 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.231 3.401 -8.435 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.251 3.681 -7.004 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.827 4.167 -8.616 1.00 0.00 H new ATOM 829 N ARG A 54 7.560 3.557 -8.275 1.00 0.00 N ATOM 830 CA ARG A 54 8.987 3.272 -8.197 1.00 0.00 C ATOM 831 C ARG A 54 9.279 2.255 -7.097 1.00 0.00 C ATOM 832 O ARG A 54 10.157 1.404 -7.239 1.00 0.00 O ATOM 833 CB ARG A 54 9.772 4.559 -7.937 1.00 0.00 C ATOM 834 CG ARG A 54 10.217 5.267 -9.206 1.00 0.00 C ATOM 835 CD ARG A 54 11.528 4.703 -9.729 1.00 0.00 C ATOM 836 NE ARG A 54 12.482 4.447 -8.653 1.00 0.00 N ATOM 837 CZ ARG A 54 13.195 5.399 -8.062 1.00 0.00 C ATOM 838 NH1 ARG A 54 13.062 6.663 -8.440 1.00 0.00 N ATOM 839 NH2 ARG A 54 14.043 5.088 -7.090 1.00 0.00 N ATOM 0 H ARG A 54 7.323 4.547 -8.211 1.00 0.00 H new ATOM 0 HA ARG A 54 9.300 2.849 -9.152 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.155 5.239 -7.349 1.00 0.00 H new ATOM 0 HB3 ARG A 54 10.650 4.324 -7.335 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.446 5.166 -9.970 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.332 6.333 -9.008 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.334 3.777 -10.269 1.00 0.00 H new ATOM 0 HD3 ARG A 54 11.965 5.402 -10.442 1.00 0.00 H new ATOM 0 HE ARG A 54 12.607 3.485 -8.338 1.00 0.00 H new ATOM 0 HH11 ARG A 54 12.411 6.906 -9.186 1.00 0.00 H new ATOM 0 HH12 ARG A 54 13.611 7.392 -7.984 1.00 0.00 H new ATOM 0 HH21 ARG A 54 14.148 4.117 -6.796 1.00 0.00 H new ATOM 0 HH22 ARG A 54 14.590 5.820 -6.637 1.00 0.00 H new ATOM 853 N LYS A 55 8.536 2.349 -5.999 1.00 0.00 N ATOM 854 CA LYS A 55 8.713 1.438 -4.874 1.00 0.00 C ATOM 855 C LYS A 55 7.583 1.598 -3.862 1.00 0.00 C ATOM 856 O LYS A 55 7.037 2.689 -3.693 1.00 0.00 O ATOM 857 CB LYS A 55 10.060 1.690 -4.195 1.00 0.00 C ATOM 858 CG LYS A 55 10.477 0.583 -3.241 1.00 0.00 C ATOM 859 CD LYS A 55 11.483 1.079 -2.216 1.00 0.00 C ATOM 860 CE LYS A 55 11.968 -0.049 -1.320 1.00 0.00 C ATOM 861 NZ LYS A 55 12.617 -1.138 -2.102 1.00 0.00 N ATOM 0 H LYS A 55 7.805 3.048 -5.864 1.00 0.00 H new ATOM 0 HA LYS A 55 8.692 0.418 -5.257 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.827 1.807 -4.961 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.011 2.631 -3.647 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.598 0.192 -2.729 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.910 -0.242 -3.807 1.00 0.00 H new ATOM 0 HD2 LYS A 55 12.333 1.530 -2.728 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.028 1.859 -1.606 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.675 0.345 -0.590 1.00 0.00 H new ATOM 0 HE3 LYS A 55 11.126 -0.456 -0.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 13.180 -1.736 -1.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.886 -1.717 -2.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 13.238 -0.723 -2.826 1.00 0.00 H new ATOM 875 N LEU A 56 7.238 0.505 -3.190 1.00 0.00 N ATOM 876 CA LEU A 56 6.174 0.524 -2.192 1.00 0.00 C ATOM 877 C LEU A 56 6.590 -0.236 -0.938 1.00 0.00 C ATOM 878 O LEU A 56 7.131 -1.340 -1.018 1.00 0.00 O ATOM 879 CB LEU A 56 4.895 -0.084 -2.771 1.00 0.00 C ATOM 880 CG LEU A 56 3.580 0.458 -2.208 1.00 0.00 C ATOM 881 CD1 LEU A 56 3.103 1.650 -3.022 1.00 0.00 C ATOM 882 CD2 LEU A 56 2.520 -0.634 -2.185 1.00 0.00 C ATOM 0 H LEU A 56 7.680 -0.406 -3.318 1.00 0.00 H new ATOM 0 HA LEU A 56 5.984 1.562 -1.918 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.898 0.073 -3.850 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.921 -1.161 -2.606 1.00 0.00 H new ATOM 0 HG LEU A 56 3.754 0.790 -1.184 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.166 2.022 -2.607 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.855 2.439 -2.987 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.946 1.345 -4.056 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.591 -0.231 -1.782 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.348 -0.996 -3.199 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.860 -1.458 -1.558 1.00 0.00 H new ATOM 894 N LEU A 57 6.333 0.359 0.221 1.00 0.00 N ATOM 895 CA LEU A 57 6.678 -0.263 1.495 1.00 0.00 C ATOM 896 C LEU A 57 5.596 -0.006 2.538 1.00 0.00 C ATOM 897 O LEU A 57 5.371 1.134 2.948 1.00 0.00 O ATOM 898 CB LEU A 57 8.022 0.268 1.996 1.00 0.00 C ATOM 899 CG LEU A 57 9.198 0.143 1.026 1.00 0.00 C ATOM 900 CD1 LEU A 57 10.305 1.115 1.401 1.00 0.00 C ATOM 901 CD2 LEU A 57 9.723 -1.285 1.007 1.00 0.00 C ATOM 0 H LEU A 57 5.887 1.272 0.305 1.00 0.00 H new ATOM 0 HA LEU A 57 6.755 -1.339 1.337 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.901 1.320 2.254 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.278 -0.259 2.915 1.00 0.00 H new ATOM 0 HG LEU A 57 8.847 0.394 0.025 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.133 1.012 0.700 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.922 2.135 1.363 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.655 0.897 2.410 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.559 -1.356 0.312 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.057 -1.563 2.006 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.929 -1.960 0.689 1.00 0.00 H new ATOM 913 N LEU A 58 4.929 -1.072 2.966 1.00 0.00 N ATOM 914 CA LEU A 58 3.871 -0.963 3.965 1.00 0.00 C ATOM 915 C LEU A 58 4.397 -1.302 5.355 1.00 0.00 C ATOM 916 O LEU A 58 4.834 -2.425 5.608 1.00 0.00 O ATOM 917 CB LEU A 58 2.707 -1.889 3.607 1.00 0.00 C ATOM 918 CG LEU A 58 1.311 -1.386 3.975 1.00 0.00 C ATOM 919 CD1 LEU A 58 0.244 -2.291 3.380 1.00 0.00 C ATOM 920 CD2 LEU A 58 1.157 -1.300 5.487 1.00 0.00 C ATOM 0 H LEU A 58 5.102 -2.022 2.637 1.00 0.00 H new ATOM 0 HA LEU A 58 3.518 0.068 3.973 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.733 -2.074 2.533 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.867 -2.848 4.100 1.00 0.00 H new ATOM 0 HG LEU A 58 1.184 -0.387 3.559 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.743 -1.917 3.652 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.341 -2.303 2.294 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.368 -3.303 3.766 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.157 -0.940 5.731 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.304 -2.287 5.924 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.899 -0.611 5.890 1.00 0.00 H new ATOM 932 N PHE A 59 4.350 -0.325 6.255 1.00 0.00 N ATOM 933 CA PHE A 59 4.821 -0.520 7.621 1.00 0.00 C ATOM 934 C PHE A 59 3.755 -1.205 8.471 1.00 0.00 C ATOM 935 O PHE A 59 2.910 -0.546 9.076 1.00 0.00 O ATOM 936 CB PHE A 59 5.204 0.822 8.248 1.00 0.00 C ATOM 937 CG PHE A 59 6.166 1.620 7.414 1.00 0.00 C ATOM 938 CD1 PHE A 59 6.829 1.035 6.347 1.00 0.00 C ATOM 939 CD2 PHE A 59 6.408 2.954 7.699 1.00 0.00 C ATOM 940 CE1 PHE A 59 7.714 1.767 5.578 1.00 0.00 C ATOM 941 CE2 PHE A 59 7.291 3.691 6.933 1.00 0.00 C ATOM 942 CZ PHE A 59 7.946 3.096 5.872 1.00 0.00 C ATOM 0 H PHE A 59 3.990 0.610 6.063 1.00 0.00 H new ATOM 0 HA PHE A 59 5.702 -1.162 7.587 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.300 1.410 8.409 1.00 0.00 H new ATOM 0 HB3 PHE A 59 5.647 0.643 9.228 1.00 0.00 H new ATOM 0 HD1 PHE A 59 6.652 -0.005 6.114 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.901 3.423 8.529 1.00 0.00 H new ATOM 0 HE1 PHE A 59 8.223 1.300 4.748 1.00 0.00 H new ATOM 0 HE2 PHE A 59 7.469 4.731 7.163 1.00 0.00 H new ATOM 0 HZ PHE A 59 8.638 3.669 5.274 1.00 0.00 H new ATOM 952 N ASP A 60 3.802 -2.532 8.511 1.00 0.00 N ATOM 953 CA ASP A 60 2.841 -3.308 9.287 1.00 0.00 C ATOM 954 C ASP A 60 3.242 -3.356 10.758 1.00 0.00 C ATOM 955 O ASP A 60 3.046 -4.367 11.432 1.00 0.00 O ATOM 956 CB ASP A 60 2.731 -4.728 8.729 1.00 0.00 C ATOM 957 CG ASP A 60 4.049 -5.475 8.784 1.00 0.00 C ATOM 958 OD1 ASP A 60 5.024 -5.004 8.163 1.00 0.00 O ATOM 959 OD2 ASP A 60 4.105 -6.532 9.448 1.00 0.00 O ATOM 0 H ASP A 60 4.495 -3.093 8.015 1.00 0.00 H new ATOM 0 HA ASP A 60 1.870 -2.819 9.210 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.980 -5.280 9.294 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.385 -4.684 7.696 1.00 0.00 H new ATOM 964 N ARG A 61 3.806 -2.256 11.248 1.00 0.00 N ATOM 965 CA ARG A 61 4.237 -2.174 12.638 1.00 0.00 C ATOM 966 C ARG A 61 3.596 -0.978 13.336 1.00 0.00 C ATOM 967 O ARG A 61 3.152 -1.078 14.480 1.00 0.00 O ATOM 968 CB ARG A 61 5.761 -2.066 12.716 1.00 0.00 C ATOM 969 CG ARG A 61 6.484 -2.875 11.652 1.00 0.00 C ATOM 970 CD ARG A 61 6.115 -4.349 11.725 1.00 0.00 C ATOM 971 NE ARG A 61 7.206 -5.209 11.278 1.00 0.00 N ATOM 972 CZ ARG A 61 7.084 -6.520 11.102 1.00 0.00 C ATOM 973 NH1 ARG A 61 5.923 -7.118 11.333 1.00 0.00 N ATOM 974 NH2 ARG A 61 8.123 -7.236 10.693 1.00 0.00 N ATOM 0 H ARG A 61 3.975 -1.410 10.703 1.00 0.00 H new ATOM 0 HA ARG A 61 3.917 -3.084 13.146 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.048 -1.019 12.621 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.091 -2.399 13.700 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.235 -2.485 10.665 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.561 -2.762 11.777 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.848 -4.605 12.750 1.00 0.00 H new ATOM 0 HD3 ARG A 61 5.234 -4.533 11.111 1.00 0.00 H new ATOM 0 HE ARG A 61 8.112 -4.780 11.090 1.00 0.00 H new ATOM 0 HH11 ARG A 61 5.121 -6.571 11.647 1.00 0.00 H new ATOM 0 HH12 ARG A 61 5.832 -8.125 11.197 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.017 -6.780 10.513 1.00 0.00 H new ATOM 0 HH22 ARG A 61 8.027 -8.243 10.558 1.00 0.00 H new ATOM 988 N HIS A 62 3.551 0.153 12.639 1.00 0.00 N ATOM 989 CA HIS A 62 2.964 1.369 13.192 1.00 0.00 C ATOM 990 C HIS A 62 1.458 1.210 13.375 1.00 0.00 C ATOM 991 O HIS A 62 0.720 0.923 12.432 1.00 0.00 O ATOM 992 CB HIS A 62 3.256 2.561 12.281 1.00 0.00 C ATOM 993 CG HIS A 62 3.376 3.861 13.015 1.00 0.00 C ATOM 994 ND1 HIS A 62 2.309 4.707 13.228 1.00 0.00 N ATOM 995 CD2 HIS A 62 4.447 4.458 13.589 1.00 0.00 C ATOM 996 CE1 HIS A 62 2.718 5.769 13.899 1.00 0.00 C ATOM 997 NE2 HIS A 62 4.012 5.642 14.131 1.00 0.00 N ATOM 0 H HIS A 62 3.914 0.253 11.691 1.00 0.00 H new ATOM 0 HA HIS A 62 3.414 1.549 14.168 1.00 0.00 H new ATOM 0 HB2 HIS A 62 4.182 2.374 11.737 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.462 2.644 11.539 1.00 0.00 H new ATOM 0 HD2 HIS A 62 5.456 4.074 13.616 1.00 0.00 H new ATOM 0 HE1 HIS A 62 2.100 6.600 14.206 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.594 6.314 14.631 1.00 0.00 H new ATOM 1005 N PRO A 63 0.989 1.400 14.617 1.00 0.00 N ATOM 1006 CA PRO A 63 -0.433 1.283 14.953 1.00 0.00 C ATOM 1007 C PRO A 63 -1.264 2.416 14.361 1.00 0.00 C ATOM 1008 O PRO A 63 -2.476 2.485 14.569 1.00 0.00 O ATOM 1009 CB PRO A 63 -0.444 1.355 16.482 1.00 0.00 C ATOM 1010 CG PRO A 63 0.792 2.109 16.834 1.00 0.00 C ATOM 1011 CD PRO A 63 1.811 1.745 15.790 1.00 0.00 C ATOM 0 HA PRO A 63 -0.872 0.369 14.552 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.336 1.864 16.848 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -0.440 0.359 16.925 1.00 0.00 H new ATOM 0 HG2 PRO A 63 0.606 3.183 16.840 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.142 1.841 17.831 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.484 2.576 15.579 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.430 0.906 16.108 1.00 0.00 H new ATOM 1019 N ASP A 64 -0.606 3.302 13.621 1.00 0.00 N ATOM 1020 CA ASP A 64 -1.285 4.432 12.997 1.00 0.00 C ATOM 1021 C ASP A 64 -1.288 4.292 11.478 1.00 0.00 C ATOM 1022 O ASP A 64 -1.423 5.277 10.754 1.00 0.00 O ATOM 1023 CB ASP A 64 -0.610 5.745 13.399 1.00 0.00 C ATOM 1024 CG ASP A 64 -1.585 6.905 13.449 1.00 0.00 C ATOM 1025 OD1 ASP A 64 -2.425 6.935 14.373 1.00 0.00 O ATOM 1026 OD2 ASP A 64 -1.508 7.782 12.564 1.00 0.00 O ATOM 0 H ASP A 64 0.397 3.260 13.439 1.00 0.00 H new ATOM 0 HA ASP A 64 -2.318 4.442 13.345 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.142 5.625 14.376 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.186 5.973 12.690 1.00 0.00 H new ATOM 1031 N GLY A 65 -1.138 3.059 11.002 1.00 0.00 N ATOM 1032 CA GLY A 65 -1.126 2.813 9.572 1.00 0.00 C ATOM 1033 C GLY A 65 -0.217 3.771 8.826 1.00 0.00 C ATOM 1034 O GLY A 65 -0.619 4.885 8.492 1.00 0.00 O ATOM 0 H GLY A 65 -1.025 2.227 11.581 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.801 1.789 9.385 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.140 2.902 9.183 1.00 0.00 H new ATOM 1038 N VAL A 66 1.012 3.337 8.566 1.00 0.00 N ATOM 1039 CA VAL A 66 1.980 4.164 7.855 1.00 0.00 C ATOM 1040 C VAL A 66 2.570 3.419 6.664 1.00 0.00 C ATOM 1041 O VAL A 66 3.070 2.303 6.802 1.00 0.00 O ATOM 1042 CB VAL A 66 3.124 4.612 8.784 1.00 0.00 C ATOM 1043 CG1 VAL A 66 4.169 5.395 8.005 1.00 0.00 C ATOM 1044 CG2 VAL A 66 2.579 5.437 9.940 1.00 0.00 C ATOM 0 H VAL A 66 1.361 2.418 8.837 1.00 0.00 H new ATOM 0 HA VAL A 66 1.444 5.044 7.500 1.00 0.00 H new ATOM 0 HB VAL A 66 3.603 3.724 9.196 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.969 5.703 8.678 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.581 4.766 7.215 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.707 6.278 7.562 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.401 5.745 10.586 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.073 6.320 9.550 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.872 4.838 10.513 1.00 0.00 H new ATOM 1054 N ALA A 67 2.508 4.044 5.492 1.00 0.00 N ATOM 1055 CA ALA A 67 3.039 3.441 4.276 1.00 0.00 C ATOM 1056 C ALA A 67 3.971 4.403 3.548 1.00 0.00 C ATOM 1057 O ALA A 67 3.835 5.621 3.664 1.00 0.00 O ATOM 1058 CB ALA A 67 1.902 3.010 3.361 1.00 0.00 C ATOM 0 H ALA A 67 2.095 4.967 5.360 1.00 0.00 H new ATOM 0 HA ALA A 67 3.617 2.561 4.559 1.00 0.00 H new ATOM 0 HB1 ALA A 67 2.313 2.561 2.457 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.277 2.281 3.876 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.301 3.879 3.094 1.00 0.00 H new ATOM 1064 N SER A 68 4.917 3.849 2.797 1.00 0.00 N ATOM 1065 CA SER A 68 5.875 4.659 2.053 1.00 0.00 C ATOM 1066 C SER A 68 5.802 4.353 0.561 1.00 0.00 C ATOM 1067 O SER A 68 6.200 3.277 0.115 1.00 0.00 O ATOM 1068 CB SER A 68 7.294 4.409 2.568 1.00 0.00 C ATOM 1069 OG SER A 68 8.155 5.483 2.230 1.00 0.00 O ATOM 0 H SER A 68 5.041 2.843 2.687 1.00 0.00 H new ATOM 0 HA SER A 68 5.621 5.708 2.203 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.274 4.281 3.650 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.680 3.482 2.144 1.00 0.00 H new ATOM 0 HG SER A 68 9.029 5.130 1.964 1.00 0.00 H new ATOM 1075 N VAL A 69 5.289 5.308 -0.208 1.00 0.00 N ATOM 1076 CA VAL A 69 5.163 5.143 -1.651 1.00 0.00 C ATOM 1077 C VAL A 69 6.184 5.998 -2.394 1.00 0.00 C ATOM 1078 O VAL A 69 6.044 7.219 -2.475 1.00 0.00 O ATOM 1079 CB VAL A 69 3.749 5.513 -2.138 1.00 0.00 C ATOM 1080 CG1 VAL A 69 3.455 4.853 -3.477 1.00 0.00 C ATOM 1081 CG2 VAL A 69 2.709 5.118 -1.100 1.00 0.00 C ATOM 0 H VAL A 69 4.954 6.205 0.145 1.00 0.00 H new ATOM 0 HA VAL A 69 5.349 4.091 -1.866 1.00 0.00 H new ATOM 0 HB VAL A 69 3.701 6.593 -2.275 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.452 5.126 -3.805 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.182 5.189 -4.216 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.520 3.770 -3.371 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.716 5.386 -1.460 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.755 4.042 -0.930 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.910 5.642 -0.166 1.00 0.00 H new ATOM 1091 N SER A 70 7.210 5.349 -2.934 1.00 0.00 N ATOM 1092 CA SER A 70 8.257 6.051 -3.667 1.00 0.00 C ATOM 1093 C SER A 70 7.791 6.402 -5.077 1.00 0.00 C ATOM 1094 O SER A 70 6.962 5.704 -5.661 1.00 0.00 O ATOM 1095 CB SER A 70 9.523 5.194 -3.735 1.00 0.00 C ATOM 1096 OG SER A 70 10.633 5.959 -4.172 1.00 0.00 O ATOM 0 H SER A 70 7.339 4.339 -2.878 1.00 0.00 H new ATOM 0 HA SER A 70 8.481 6.976 -3.136 1.00 0.00 H new ATOM 0 HB2 SER A 70 9.733 4.771 -2.753 1.00 0.00 H new ATOM 0 HB3 SER A 70 9.364 4.357 -4.415 1.00 0.00 H new ATOM 0 HG SER A 70 11.430 5.390 -4.205 1.00 0.00 H new ATOM 1102 N PHE A 71 8.330 7.490 -5.618 1.00 0.00 N ATOM 1103 CA PHE A 71 7.970 7.936 -6.958 1.00 0.00 C ATOM 1104 C PHE A 71 9.217 8.219 -7.791 1.00 0.00 C ATOM 1105 O PHE A 71 10.312 8.381 -7.253 1.00 0.00 O ATOM 1106 CB PHE A 71 7.098 9.191 -6.884 1.00 0.00 C ATOM 1107 CG PHE A 71 5.749 8.948 -6.269 1.00 0.00 C ATOM 1108 CD1 PHE A 71 5.609 8.848 -4.894 1.00 0.00 C ATOM 1109 CD2 PHE A 71 4.623 8.820 -7.064 1.00 0.00 C ATOM 1110 CE1 PHE A 71 4.369 8.624 -4.325 1.00 0.00 C ATOM 1111 CE2 PHE A 71 3.380 8.596 -6.501 1.00 0.00 C ATOM 1112 CZ PHE A 71 3.254 8.499 -5.129 1.00 0.00 C ATOM 0 H PHE A 71 9.018 8.079 -5.148 1.00 0.00 H new ATOM 0 HA PHE A 71 7.406 7.137 -7.440 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.620 9.953 -6.306 1.00 0.00 H new ATOM 0 HB3 PHE A 71 6.964 9.590 -7.889 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.478 8.946 -4.260 1.00 0.00 H new ATOM 0 HD2 PHE A 71 4.716 8.896 -8.137 1.00 0.00 H new ATOM 0 HE1 PHE A 71 4.273 8.547 -3.252 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.510 8.497 -7.133 1.00 0.00 H new ATOM 0 HZ PHE A 71 2.284 8.326 -4.686 1.00 0.00 H new ATOM 1122 N ARG A 72 9.042 8.275 -9.107 1.00 0.00 N ATOM 1123 CA ARG A 72 10.153 8.536 -10.015 1.00 0.00 C ATOM 1124 C ARG A 72 10.259 10.025 -10.330 1.00 0.00 C ATOM 1125 O ARG A 72 11.336 10.615 -10.233 1.00 0.00 O ATOM 1126 CB ARG A 72 9.978 7.741 -11.311 1.00 0.00 C ATOM 1127 CG ARG A 72 10.986 8.104 -12.389 1.00 0.00 C ATOM 1128 CD ARG A 72 12.304 7.374 -12.187 1.00 0.00 C ATOM 1129 NE ARG A 72 12.323 6.082 -12.868 1.00 0.00 N ATOM 1130 CZ ARG A 72 12.380 5.948 -14.189 1.00 0.00 C ATOM 1131 NH1 ARG A 72 12.423 7.021 -14.966 1.00 0.00 N ATOM 1132 NH2 ARG A 72 12.394 4.738 -14.734 1.00 0.00 N ATOM 0 H ARG A 72 8.142 8.143 -9.568 1.00 0.00 H new ATOM 0 HA ARG A 72 11.073 8.219 -9.524 1.00 0.00 H new ATOM 0 HB2 ARG A 72 10.063 6.677 -11.089 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.972 7.907 -11.696 1.00 0.00 H new ATOM 0 HG2 ARG A 72 10.578 7.856 -13.369 1.00 0.00 H new ATOM 0 HG3 ARG A 72 11.159 9.180 -12.379 1.00 0.00 H new ATOM 0 HD2 ARG A 72 13.121 7.992 -12.559 1.00 0.00 H new ATOM 0 HD3 ARG A 72 12.476 7.225 -11.121 1.00 0.00 H new ATOM 0 HE ARG A 72 12.291 5.236 -12.299 1.00 0.00 H new ATOM 0 HH11 ARG A 72 12.412 7.952 -14.550 1.00 0.00 H new ATOM 0 HH12 ARG A 72 12.467 6.915 -15.980 1.00 0.00 H new ATOM 0 HH21 ARG A 72 12.361 3.910 -14.139 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.438 4.636 -15.748 1.00 0.00 H new ATOM 1146 N ASP A 73 9.137 10.627 -10.707 1.00 0.00 N ATOM 1147 CA ASP A 73 9.103 12.047 -11.035 1.00 0.00 C ATOM 1148 C ASP A 73 8.561 12.863 -9.866 1.00 0.00 C ATOM 1149 O ASP A 73 7.579 12.493 -9.222 1.00 0.00 O ATOM 1150 CB ASP A 73 8.246 12.285 -12.280 1.00 0.00 C ATOM 1151 CG ASP A 73 7.134 11.264 -12.420 1.00 0.00 C ATOM 1152 OD1 ASP A 73 6.710 10.704 -11.388 1.00 0.00 O ATOM 1153 OD2 ASP A 73 6.687 11.026 -13.562 1.00 0.00 O ATOM 0 H ASP A 73 8.238 10.153 -10.793 1.00 0.00 H new ATOM 0 HA ASP A 73 10.124 12.371 -11.238 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.814 13.285 -12.235 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.880 12.252 -13.166 1.00 0.00 H new ATOM 1158 N PRO A 74 9.216 13.999 -9.582 1.00 0.00 N ATOM 1159 CA PRO A 74 8.817 14.890 -8.489 1.00 0.00 C ATOM 1160 C PRO A 74 7.501 15.604 -8.774 1.00 0.00 C ATOM 1161 O PRO A 74 6.889 16.180 -7.874 1.00 0.00 O ATOM 1162 CB PRO A 74 9.967 15.897 -8.416 1.00 0.00 C ATOM 1163 CG PRO A 74 10.555 15.901 -9.784 1.00 0.00 C ATOM 1164 CD PRO A 74 10.394 14.501 -10.308 1.00 0.00 C ATOM 0 HA PRO A 74 8.649 14.346 -7.560 1.00 0.00 H new ATOM 0 HB2 PRO A 74 9.608 16.888 -8.136 1.00 0.00 H new ATOM 0 HB3 PRO A 74 10.704 15.602 -7.669 1.00 0.00 H new ATOM 0 HG2 PRO A 74 10.045 16.619 -10.426 1.00 0.00 H new ATOM 0 HG3 PRO A 74 11.606 16.189 -9.756 1.00 0.00 H new ATOM 0 HD2 PRO A 74 10.236 14.491 -11.386 1.00 0.00 H new ATOM 0 HD3 PRO A 74 11.277 13.894 -10.110 1.00 0.00 H new ATOM 1172 N GLU A 75 7.070 15.563 -10.031 1.00 0.00 N ATOM 1173 CA GLU A 75 5.825 16.207 -10.432 1.00 0.00 C ATOM 1174 C GLU A 75 4.620 15.363 -10.028 1.00 0.00 C ATOM 1175 O GLU A 75 3.597 15.892 -9.594 1.00 0.00 O ATOM 1176 CB GLU A 75 5.812 16.443 -11.944 1.00 0.00 C ATOM 1177 CG GLU A 75 6.860 17.437 -12.415 1.00 0.00 C ATOM 1178 CD GLU A 75 6.522 18.049 -13.760 1.00 0.00 C ATOM 1179 OE1 GLU A 75 5.526 18.800 -13.836 1.00 0.00 O ATOM 1180 OE2 GLU A 75 7.252 17.778 -14.736 1.00 0.00 O ATOM 0 H GLU A 75 7.564 15.091 -10.788 1.00 0.00 H new ATOM 0 HA GLU A 75 5.761 17.167 -9.920 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.971 15.492 -12.453 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.826 16.801 -12.239 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.961 18.230 -11.674 1.00 0.00 H new ATOM 0 HG3 GLU A 75 7.826 16.937 -12.480 1.00 0.00 H new ATOM 1187 N GLU A 76 4.750 14.048 -10.174 1.00 0.00 N ATOM 1188 CA GLU A 76 3.671 13.131 -9.825 1.00 0.00 C ATOM 1189 C GLU A 76 3.512 13.030 -8.311 1.00 0.00 C ATOM 1190 O GLU A 76 2.418 13.214 -7.778 1.00 0.00 O ATOM 1191 CB GLU A 76 3.939 11.745 -10.415 1.00 0.00 C ATOM 1192 CG GLU A 76 3.817 11.694 -11.929 1.00 0.00 C ATOM 1193 CD GLU A 76 2.563 12.379 -12.436 1.00 0.00 C ATOM 1194 OE1 GLU A 76 1.531 12.324 -11.735 1.00 0.00 O ATOM 1195 OE2 GLU A 76 2.614 12.971 -13.535 1.00 0.00 O ATOM 0 H GLU A 76 5.591 13.594 -10.531 1.00 0.00 H new ATOM 0 HA GLU A 76 2.745 13.523 -10.245 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.941 11.425 -10.129 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.240 11.032 -9.978 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.691 12.167 -12.376 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.816 10.654 -12.255 1.00 0.00 H new ATOM 1202 N ALA A 77 4.611 12.735 -7.625 1.00 0.00 N ATOM 1203 CA ALA A 77 4.595 12.610 -6.173 1.00 0.00 C ATOM 1204 C ALA A 77 3.899 13.803 -5.527 1.00 0.00 C ATOM 1205 O ALA A 77 2.839 13.661 -4.917 1.00 0.00 O ATOM 1206 CB ALA A 77 6.013 12.470 -5.639 1.00 0.00 C ATOM 0 H ALA A 77 5.524 12.578 -8.052 1.00 0.00 H new ATOM 0 HA ALA A 77 4.032 11.712 -5.917 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.985 12.378 -4.553 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.477 11.581 -6.067 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.594 13.351 -5.914 1.00 0.00 H new ATOM 1212 N ASP A 78 4.503 14.979 -5.664 1.00 0.00 N ATOM 1213 CA ASP A 78 3.941 16.198 -5.093 1.00 0.00 C ATOM 1214 C ASP A 78 2.438 16.273 -5.345 1.00 0.00 C ATOM 1215 O ASP A 78 1.693 16.843 -4.548 1.00 0.00 O ATOM 1216 CB ASP A 78 4.632 17.428 -5.684 1.00 0.00 C ATOM 1217 CG ASP A 78 4.152 18.720 -5.052 1.00 0.00 C ATOM 1218 OD1 ASP A 78 4.689 19.095 -3.989 1.00 0.00 O ATOM 1219 OD2 ASP A 78 3.239 19.356 -5.620 1.00 0.00 O ATOM 0 H ASP A 78 5.381 15.114 -6.165 1.00 0.00 H new ATOM 0 HA ASP A 78 4.110 16.178 -4.016 1.00 0.00 H new ATOM 0 HB2 ASP A 78 5.709 17.338 -5.546 1.00 0.00 H new ATOM 0 HB3 ASP A 78 4.450 17.463 -6.758 1.00 0.00 H new ATOM 1224 N TYR A 79 2.001 15.695 -6.458 1.00 0.00 N ATOM 1225 CA TYR A 79 0.587 15.699 -6.817 1.00 0.00 C ATOM 1226 C TYR A 79 -0.140 14.518 -6.182 1.00 0.00 C ATOM 1227 O TYR A 79 -1.333 14.595 -5.886 1.00 0.00 O ATOM 1228 CB TYR A 79 0.425 15.655 -8.337 1.00 0.00 C ATOM 1229 CG TYR A 79 -1.015 15.583 -8.791 1.00 0.00 C ATOM 1230 CD1 TYR A 79 -2.006 16.309 -8.141 1.00 0.00 C ATOM 1231 CD2 TYR A 79 -1.386 14.788 -9.868 1.00 0.00 C ATOM 1232 CE1 TYR A 79 -3.323 16.246 -8.552 1.00 0.00 C ATOM 1233 CE2 TYR A 79 -2.701 14.719 -10.286 1.00 0.00 C ATOM 1234 CZ TYR A 79 -3.666 15.450 -9.625 1.00 0.00 C ATOM 1235 OH TYR A 79 -4.977 15.383 -10.038 1.00 0.00 O ATOM 0 H TYR A 79 2.605 15.218 -7.127 1.00 0.00 H new ATOM 0 HA TYR A 79 0.145 16.620 -6.438 1.00 0.00 H new ATOM 0 HB2 TYR A 79 0.889 16.541 -8.769 1.00 0.00 H new ATOM 0 HB3 TYR A 79 0.963 14.791 -8.726 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -1.742 16.933 -7.300 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -0.633 14.214 -10.388 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -4.081 16.817 -8.036 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -2.972 14.096 -11.126 1.00 0.00 H new ATOM 0 HH TYR A 79 -5.047 14.779 -10.806 1.00 0.00 H new ATOM 1245 N CYS A 80 0.588 13.426 -5.976 1.00 0.00 N ATOM 1246 CA CYS A 80 0.014 12.226 -5.376 1.00 0.00 C ATOM 1247 C CYS A 80 -0.176 12.407 -3.874 1.00 0.00 C ATOM 1248 O CYS A 80 -0.826 11.592 -3.218 1.00 0.00 O ATOM 1249 CB CYS A 80 0.909 11.017 -5.648 1.00 0.00 C ATOM 1250 SG CYS A 80 0.014 9.451 -5.784 1.00 0.00 S ATOM 0 H CYS A 80 1.576 13.346 -6.215 1.00 0.00 H new ATOM 0 HA CYS A 80 -0.963 12.054 -5.829 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.462 11.188 -6.571 1.00 0.00 H new ATOM 0 HB3 CYS A 80 1.644 10.935 -4.847 1.00 0.00 H new ATOM 0 HG CYS A 80 -0.894 9.549 -6.709 1.00 0.00 H new ATOM 1256 N ILE A 81 0.397 13.478 -3.335 1.00 0.00 N ATOM 1257 CA ILE A 81 0.292 13.765 -1.910 1.00 0.00 C ATOM 1258 C ILE A 81 -0.922 14.639 -1.613 1.00 0.00 C ATOM 1259 O ILE A 81 -1.460 14.615 -0.507 1.00 0.00 O ATOM 1260 CB ILE A 81 1.557 14.466 -1.381 1.00 0.00 C ATOM 1261 CG1 ILE A 81 1.484 15.970 -1.655 1.00 0.00 C ATOM 1262 CG2 ILE A 81 2.801 13.866 -2.019 1.00 0.00 C ATOM 1263 CD1 ILE A 81 0.780 16.749 -0.567 1.00 0.00 C ATOM 0 H ILE A 81 0.939 14.161 -3.864 1.00 0.00 H new ATOM 0 HA ILE A 81 0.180 12.807 -1.403 1.00 0.00 H new ATOM 0 HB ILE A 81 1.616 14.314 -0.303 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.495 16.359 -1.773 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.967 16.134 -2.601 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.687 14.372 -1.635 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.857 12.804 -1.779 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.752 13.991 -3.101 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.766 17.807 -0.828 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.243 16.387 -0.464 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.309 16.615 0.377 1.00 0.00 H new ATOM 1275 N GLN A 82 -1.349 15.407 -2.610 1.00 0.00 N ATOM 1276 CA GLN A 82 -2.501 16.288 -2.456 1.00 0.00 C ATOM 1277 C GLN A 82 -3.787 15.580 -2.868 1.00 0.00 C ATOM 1278 O GLN A 82 -4.873 15.918 -2.398 1.00 0.00 O ATOM 1279 CB GLN A 82 -2.314 17.557 -3.289 1.00 0.00 C ATOM 1280 CG GLN A 82 -1.727 17.299 -4.668 1.00 0.00 C ATOM 1281 CD GLN A 82 -1.693 18.545 -5.530 1.00 0.00 C ATOM 1282 OE1 GLN A 82 -2.684 18.898 -6.171 1.00 0.00 O ATOM 1283 NE2 GLN A 82 -0.550 19.220 -5.552 1.00 0.00 N ATOM 0 H GLN A 82 -0.915 15.437 -3.533 1.00 0.00 H new ATOM 0 HA GLN A 82 -2.580 16.561 -1.404 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -3.278 18.054 -3.401 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.662 18.244 -2.749 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -0.715 16.908 -4.561 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -2.314 16.530 -5.170 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.247 18.892 -5.006 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -0.468 20.067 -6.115 1.00 0.00 H new ATOM 1292 N THR A 83 -3.657 14.594 -3.750 1.00 0.00 N ATOM 1293 CA THR A 83 -4.808 13.838 -4.227 1.00 0.00 C ATOM 1294 C THR A 83 -5.089 12.639 -3.329 1.00 0.00 C ATOM 1295 O THR A 83 -6.227 12.177 -3.231 1.00 0.00 O ATOM 1296 CB THR A 83 -4.599 13.346 -5.672 1.00 0.00 C ATOM 1297 OG1 THR A 83 -4.763 14.434 -6.589 1.00 0.00 O ATOM 1298 CG2 THR A 83 -5.580 12.235 -6.013 1.00 0.00 C ATOM 0 H THR A 83 -2.765 14.300 -4.149 1.00 0.00 H new ATOM 0 HA THR A 83 -5.662 14.515 -4.202 1.00 0.00 H new ATOM 0 HB THR A 83 -3.586 12.952 -5.755 1.00 0.00 H new ATOM 0 HG1 THR A 83 -3.896 14.661 -6.985 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.413 11.904 -7.038 1.00 0.00 H new ATOM 0 HG22 THR A 83 -5.431 11.397 -5.332 1.00 0.00 H new ATOM 0 HG23 THR A 83 -6.600 12.607 -5.913 1.00 0.00 H new ATOM 1306 N LEU A 84 -4.047 12.138 -2.676 1.00 0.00 N ATOM 1307 CA LEU A 84 -4.181 10.992 -1.784 1.00 0.00 C ATOM 1308 C LEU A 84 -4.421 11.444 -0.347 1.00 0.00 C ATOM 1309 O LEU A 84 -4.685 10.628 0.536 1.00 0.00 O ATOM 1310 CB LEU A 84 -2.928 10.117 -1.853 1.00 0.00 C ATOM 1311 CG LEU A 84 -2.596 9.528 -3.225 1.00 0.00 C ATOM 1312 CD1 LEU A 84 -1.293 8.746 -3.168 1.00 0.00 C ATOM 1313 CD2 LEU A 84 -3.732 8.641 -3.713 1.00 0.00 C ATOM 0 H LEU A 84 -3.099 12.508 -2.747 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.042 10.409 -2.110 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.076 10.709 -1.518 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.043 9.296 -1.145 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.473 10.348 -3.932 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.072 8.334 -4.153 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.484 9.409 -2.863 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.388 7.933 -2.448 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.479 8.230 -4.690 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.887 7.826 -3.006 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.645 9.230 -3.793 1.00 0.00 H new ATOM 1325 N ASP A 85 -4.328 12.750 -0.121 1.00 0.00 N ATOM 1326 CA ASP A 85 -4.538 13.312 1.209 1.00 0.00 C ATOM 1327 C ASP A 85 -5.990 13.145 1.647 1.00 0.00 C ATOM 1328 O ASP A 85 -6.339 13.424 2.793 1.00 0.00 O ATOM 1329 CB ASP A 85 -4.154 14.793 1.226 1.00 0.00 C ATOM 1330 CG ASP A 85 -5.324 15.698 0.891 1.00 0.00 C ATOM 1331 OD1 ASP A 85 -6.088 15.361 -0.038 1.00 0.00 O ATOM 1332 OD2 ASP A 85 -5.475 16.742 1.558 1.00 0.00 O ATOM 0 H ASP A 85 -4.109 13.439 -0.841 1.00 0.00 H new ATOM 0 HA ASP A 85 -3.902 12.771 1.910 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.767 15.054 2.211 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.349 14.965 0.511 1.00 0.00 H new ATOM 1337 N GLY A 86 -6.832 12.688 0.725 1.00 0.00 N ATOM 1338 CA GLY A 86 -8.236 12.492 1.035 1.00 0.00 C ATOM 1339 C GLY A 86 -8.727 11.110 0.654 1.00 0.00 C ATOM 1340 O GLY A 86 -9.929 10.842 0.676 1.00 0.00 O ATOM 0 H GLY A 86 -6.567 12.450 -0.231 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -8.395 12.649 2.102 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -8.829 13.242 0.511 1.00 0.00 H new ATOM 1344 N ARG A 87 -7.796 10.229 0.301 1.00 0.00 N ATOM 1345 CA ARG A 87 -8.141 8.868 -0.090 1.00 0.00 C ATOM 1346 C ARG A 87 -8.837 8.134 1.053 1.00 0.00 C ATOM 1347 O ARG A 87 -8.805 8.579 2.200 1.00 0.00 O ATOM 1348 CB ARG A 87 -6.886 8.102 -0.513 1.00 0.00 C ATOM 1349 CG ARG A 87 -6.453 8.384 -1.942 1.00 0.00 C ATOM 1350 CD ARG A 87 -7.098 7.415 -2.921 1.00 0.00 C ATOM 1351 NE ARG A 87 -8.412 7.877 -3.362 1.00 0.00 N ATOM 1352 CZ ARG A 87 -9.012 7.439 -4.464 1.00 0.00 C ATOM 1353 NH1 ARG A 87 -8.420 6.534 -5.231 1.00 0.00 N ATOM 1354 NH2 ARG A 87 -10.208 7.907 -4.799 1.00 0.00 N ATOM 0 H ARG A 87 -6.797 10.434 0.278 1.00 0.00 H new ATOM 0 HA ARG A 87 -8.827 8.923 -0.935 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.070 8.358 0.162 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -7.068 7.033 -0.402 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.721 9.406 -2.210 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.368 8.310 -2.016 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.449 7.289 -3.787 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.197 6.436 -2.451 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.895 8.573 -2.794 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.501 6.172 -4.976 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -8.883 6.200 -6.076 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -10.667 8.603 -4.211 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -10.669 7.571 -5.645 1.00 0.00 H new ATOM 1368 N TRP A 88 -9.465 7.009 0.731 1.00 0.00 N ATOM 1369 CA TRP A 88 -10.169 6.214 1.731 1.00 0.00 C ATOM 1370 C TRP A 88 -9.721 4.757 1.681 1.00 0.00 C ATOM 1371 O TRP A 88 -9.866 4.087 0.658 1.00 0.00 O ATOM 1372 CB TRP A 88 -11.680 6.304 1.512 1.00 0.00 C ATOM 1373 CG TRP A 88 -12.251 7.647 1.851 1.00 0.00 C ATOM 1374 CD1 TRP A 88 -12.155 8.790 1.109 1.00 0.00 C ATOM 1375 CD2 TRP A 88 -13.003 7.988 3.021 1.00 0.00 C ATOM 1376 NE1 TRP A 88 -12.803 9.820 1.746 1.00 0.00 N ATOM 1377 CE2 TRP A 88 -13.332 9.354 2.921 1.00 0.00 C ATOM 1378 CE3 TRP A 88 -13.432 7.273 4.141 1.00 0.00 C ATOM 1379 CZ2 TRP A 88 -14.068 10.016 3.900 1.00 0.00 C ATOM 1380 CZ3 TRP A 88 -14.162 7.930 5.112 1.00 0.00 C ATOM 1381 CH2 TRP A 88 -14.476 9.290 4.987 1.00 0.00 C ATOM 0 H TRP A 88 -9.501 6.627 -0.214 1.00 0.00 H new ATOM 0 HA TRP A 88 -9.927 6.615 2.715 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -11.903 6.075 0.470 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -12.173 5.544 2.118 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -11.645 8.872 0.161 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -12.878 10.777 1.400 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -13.197 6.224 4.246 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -14.309 11.065 3.805 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -14.497 7.386 5.983 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -15.051 9.775 5.763 1.00 0.00 H new ATOM 1392 N PHE A 89 -9.178 4.272 2.792 1.00 0.00 N ATOM 1393 CA PHE A 89 -8.708 2.894 2.875 1.00 0.00 C ATOM 1394 C PHE A 89 -9.393 2.153 4.020 1.00 0.00 C ATOM 1395 O PHE A 89 -9.581 2.703 5.105 1.00 0.00 O ATOM 1396 CB PHE A 89 -7.191 2.860 3.066 1.00 0.00 C ATOM 1397 CG PHE A 89 -6.421 3.006 1.785 1.00 0.00 C ATOM 1398 CD1 PHE A 89 -6.676 4.063 0.925 1.00 0.00 C ATOM 1399 CD2 PHE A 89 -5.444 2.087 1.439 1.00 0.00 C ATOM 1400 CE1 PHE A 89 -5.970 4.199 -0.255 1.00 0.00 C ATOM 1401 CE2 PHE A 89 -4.734 2.218 0.260 1.00 0.00 C ATOM 1402 CZ PHE A 89 -4.997 3.276 -0.588 1.00 0.00 C ATOM 0 H PHE A 89 -9.052 4.813 3.648 1.00 0.00 H new ATOM 0 HA PHE A 89 -8.960 2.394 1.940 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -6.901 3.659 3.748 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.914 1.919 3.542 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.435 4.788 1.180 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.234 1.258 2.098 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -6.179 5.027 -0.917 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.975 1.494 0.002 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.443 3.382 -1.509 1.00 0.00 H new ATOM 1412 N GLY A 90 -9.765 0.902 3.770 1.00 0.00 N ATOM 1413 CA GLY A 90 -10.425 0.106 4.788 1.00 0.00 C ATOM 1414 C GLY A 90 -11.770 0.679 5.189 1.00 0.00 C ATOM 1415 O GLY A 90 -12.427 0.165 6.094 1.00 0.00 O ATOM 0 H GLY A 90 -9.621 0.425 2.880 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -10.562 -0.910 4.418 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -9.784 0.042 5.667 1.00 0.00 H new ATOM 1419 N GLY A 91 -12.181 1.748 4.515 1.00 0.00 N ATOM 1420 CA GLY A 91 -13.454 2.375 4.822 1.00 0.00 C ATOM 1421 C GLY A 91 -13.290 3.757 5.423 1.00 0.00 C ATOM 1422 O GLY A 91 -14.243 4.535 5.477 1.00 0.00 O ATOM 0 H GLY A 91 -11.656 2.192 3.762 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -14.049 2.446 3.912 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -14.008 1.744 5.516 1.00 0.00 H new ATOM 1426 N ARG A 92 -12.079 4.063 5.877 1.00 0.00 N ATOM 1427 CA ARG A 92 -11.794 5.360 6.479 1.00 0.00 C ATOM 1428 C ARG A 92 -10.907 6.201 5.566 1.00 0.00 C ATOM 1429 O ARG A 92 -10.265 5.678 4.656 1.00 0.00 O ATOM 1430 CB ARG A 92 -11.116 5.177 7.838 1.00 0.00 C ATOM 1431 CG ARG A 92 -9.749 4.518 7.753 1.00 0.00 C ATOM 1432 CD ARG A 92 -9.310 3.969 9.102 1.00 0.00 C ATOM 1433 NE ARG A 92 -10.062 2.775 9.478 1.00 0.00 N ATOM 1434 CZ ARG A 92 -9.610 1.858 10.326 1.00 0.00 C ATOM 1435 NH1 ARG A 92 -8.415 1.998 10.883 1.00 0.00 N ATOM 1436 NH2 ARG A 92 -10.353 0.799 10.618 1.00 0.00 N ATOM 0 H ARG A 92 -11.280 3.431 5.839 1.00 0.00 H new ATOM 0 HA ARG A 92 -12.740 5.883 6.619 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -11.011 6.151 8.316 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -11.761 4.575 8.478 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -9.778 3.710 7.022 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -9.016 5.242 7.398 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -8.247 3.732 9.068 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -9.442 4.736 9.866 1.00 0.00 H new ATOM 0 HE ARG A 92 -10.985 2.638 9.067 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -7.841 2.811 10.661 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -8.070 1.293 11.534 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -11.273 0.688 10.191 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -10.005 0.096 11.269 1.00 0.00 H new ATOM 1450 N GLN A 93 -10.879 7.506 5.815 1.00 0.00 N ATOM 1451 CA GLN A 93 -10.072 8.419 5.014 1.00 0.00 C ATOM 1452 C GLN A 93 -8.602 8.337 5.411 1.00 0.00 C ATOM 1453 O GLN A 93 -8.266 7.843 6.487 1.00 0.00 O ATOM 1454 CB GLN A 93 -10.577 9.854 5.174 1.00 0.00 C ATOM 1455 CG GLN A 93 -10.391 10.707 3.930 1.00 0.00 C ATOM 1456 CD GLN A 93 -10.495 12.192 4.220 1.00 0.00 C ATOM 1457 OE1 GLN A 93 -10.640 12.603 5.371 1.00 0.00 O ATOM 1458 NE2 GLN A 93 -10.421 13.006 3.173 1.00 0.00 N ATOM 0 H GLN A 93 -11.405 7.955 6.565 1.00 0.00 H new ATOM 0 HA GLN A 93 -10.164 8.124 3.969 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -11.635 9.831 5.434 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -10.055 10.323 6.008 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -9.417 10.494 3.490 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -11.142 10.432 3.190 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -10.301 12.622 2.236 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -10.485 14.015 3.306 1.00 0.00 H new ATOM 1467 N ILE A 94 -7.730 8.825 4.535 1.00 0.00 N ATOM 1468 CA ILE A 94 -6.296 8.808 4.795 1.00 0.00 C ATOM 1469 C ILE A 94 -5.634 10.093 4.311 1.00 0.00 C ATOM 1470 O ILE A 94 -6.089 10.717 3.352 1.00 0.00 O ATOM 1471 CB ILE A 94 -5.615 7.605 4.114 1.00 0.00 C ATOM 1472 CG1 ILE A 94 -5.263 7.945 2.664 1.00 0.00 C ATOM 1473 CG2 ILE A 94 -6.518 6.382 4.173 1.00 0.00 C ATOM 1474 CD1 ILE A 94 -4.811 6.748 1.856 1.00 0.00 C ATOM 0 H ILE A 94 -7.992 9.237 3.639 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.172 8.723 5.875 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.693 7.377 4.648 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -6.133 8.391 2.182 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -4.474 8.697 2.657 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -6.023 5.541 3.688 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.723 6.131 5.214 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -7.455 6.597 3.660 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.578 7.063 0.839 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.922 6.314 2.314 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.607 6.004 1.832 1.00 0.00 H new ATOM 1486 N THR A 95 -4.554 10.485 4.981 1.00 0.00 N ATOM 1487 CA THR A 95 -3.828 11.696 4.620 1.00 0.00 C ATOM 1488 C THR A 95 -2.539 11.363 3.877 1.00 0.00 C ATOM 1489 O THR A 95 -2.026 10.249 3.974 1.00 0.00 O ATOM 1490 CB THR A 95 -3.487 12.538 5.863 1.00 0.00 C ATOM 1491 OG1 THR A 95 -2.843 13.755 5.469 1.00 0.00 O ATOM 1492 CG2 THR A 95 -2.584 11.764 6.811 1.00 0.00 C ATOM 0 H THR A 95 -4.163 9.981 5.777 1.00 0.00 H new ATOM 0 HA THR A 95 -4.482 12.274 3.967 1.00 0.00 H new ATOM 0 HB THR A 95 -4.417 12.771 6.382 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.631 14.286 6.265 1.00 0.00 H new ATOM 0 HG21 THR A 95 -2.357 12.380 7.681 1.00 0.00 H new ATOM 0 HG22 THR A 95 -3.089 10.853 7.133 1.00 0.00 H new ATOM 0 HG23 THR A 95 -1.657 11.503 6.299 1.00 0.00 H new ATOM 1500 N ALA A 96 -2.020 12.337 3.136 1.00 0.00 N ATOM 1501 CA ALA A 96 -0.789 12.147 2.379 1.00 0.00 C ATOM 1502 C ALA A 96 0.145 13.341 2.543 1.00 0.00 C ATOM 1503 O ALA A 96 -0.301 14.458 2.804 1.00 0.00 O ATOM 1504 CB ALA A 96 -1.104 11.919 0.908 1.00 0.00 C ATOM 0 H ALA A 96 -2.433 13.265 3.044 1.00 0.00 H new ATOM 0 HA ALA A 96 -0.282 11.265 2.771 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -0.175 11.779 0.355 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.727 11.031 0.803 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -1.636 12.784 0.511 1.00 0.00 H new ATOM 1510 N GLN A 97 1.442 13.098 2.387 1.00 0.00 N ATOM 1511 CA GLN A 97 2.439 14.154 2.519 1.00 0.00 C ATOM 1512 C GLN A 97 3.781 13.711 1.947 1.00 0.00 C ATOM 1513 O GLN A 97 4.026 12.519 1.763 1.00 0.00 O ATOM 1514 CB GLN A 97 2.603 14.549 3.988 1.00 0.00 C ATOM 1515 CG GLN A 97 2.776 13.361 4.921 1.00 0.00 C ATOM 1516 CD GLN A 97 1.458 12.854 5.472 1.00 0.00 C ATOM 1517 OE1 GLN A 97 1.052 13.220 6.576 1.00 0.00 O ATOM 1518 NE2 GLN A 97 0.782 12.008 4.705 1.00 0.00 N ATOM 0 H GLN A 97 1.827 12.179 2.169 1.00 0.00 H new ATOM 0 HA GLN A 97 2.092 15.019 1.954 1.00 0.00 H new ATOM 0 HB2 GLN A 97 3.468 15.206 4.085 1.00 0.00 H new ATOM 0 HB3 GLN A 97 1.731 15.123 4.301 1.00 0.00 H new ATOM 0 HG2 GLN A 97 3.276 12.554 4.386 1.00 0.00 H new ATOM 0 HG3 GLN A 97 3.426 13.646 5.749 1.00 0.00 H new ATOM 0 HE21 GLN A 97 1.156 11.732 3.797 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -0.112 11.634 5.023 1.00 0.00 H new ATOM 1527 N ALA A 98 4.648 14.678 1.667 1.00 0.00 N ATOM 1528 CA ALA A 98 5.966 14.388 1.117 1.00 0.00 C ATOM 1529 C ALA A 98 6.980 14.130 2.227 1.00 0.00 C ATOM 1530 O ALA A 98 7.056 14.884 3.197 1.00 0.00 O ATOM 1531 CB ALA A 98 6.432 15.532 0.229 1.00 0.00 C ATOM 0 H ALA A 98 4.461 15.670 1.812 1.00 0.00 H new ATOM 0 HA ALA A 98 5.889 13.483 0.514 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.418 15.301 -0.175 1.00 0.00 H new ATOM 0 HB2 ALA A 98 5.727 15.667 -0.591 1.00 0.00 H new ATOM 0 HB3 ALA A 98 6.486 16.449 0.816 1.00 0.00 H new ATOM 1537 N TRP A 99 7.755 13.062 2.077 1.00 0.00 N ATOM 1538 CA TRP A 99 8.763 12.706 3.069 1.00 0.00 C ATOM 1539 C TRP A 99 10.115 13.315 2.713 1.00 0.00 C ATOM 1540 O TRP A 99 10.320 13.784 1.593 1.00 0.00 O ATOM 1541 CB TRP A 99 8.888 11.185 3.176 1.00 0.00 C ATOM 1542 CG TRP A 99 9.835 10.741 4.249 1.00 0.00 C ATOM 1543 CD1 TRP A 99 9.847 11.149 5.552 1.00 0.00 C ATOM 1544 CD2 TRP A 99 10.909 9.805 4.110 1.00 0.00 C ATOM 1545 NE1 TRP A 99 10.864 10.523 6.232 1.00 0.00 N ATOM 1546 CE2 TRP A 99 11.530 9.692 5.370 1.00 0.00 C ATOM 1547 CE3 TRP A 99 11.406 9.049 3.045 1.00 0.00 C ATOM 1548 CZ2 TRP A 99 12.621 8.856 5.590 1.00 0.00 C ATOM 1549 CZ3 TRP A 99 12.489 8.219 3.265 1.00 0.00 C ATOM 1550 CH2 TRP A 99 13.086 8.127 4.529 1.00 0.00 C ATOM 0 H TRP A 99 7.705 12.428 1.279 1.00 0.00 H new ATOM 0 HA TRP A 99 8.447 13.106 4.032 1.00 0.00 H new ATOM 0 HB2 TRP A 99 7.904 10.760 3.371 1.00 0.00 H new ATOM 0 HB3 TRP A 99 9.223 10.787 2.218 1.00 0.00 H new ATOM 0 HD1 TRP A 99 9.158 11.859 5.985 1.00 0.00 H new ATOM 0 HE1 TRP A 99 11.087 10.656 7.218 1.00 0.00 H new ATOM 0 HE3 TRP A 99 10.952 9.112 2.067 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 13.084 8.785 6.563 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 12.882 7.631 2.448 1.00 0.00 H new ATOM 0 HH2 TRP A 99 13.930 7.468 4.669 1.00 0.00 H new ATOM 1561 N ASP A 100 11.035 13.304 3.672 1.00 0.00 N ATOM 1562 CA ASP A 100 12.368 13.854 3.459 1.00 0.00 C ATOM 1563 C ASP A 100 13.440 12.803 3.730 1.00 0.00 C ATOM 1564 O ASP A 100 14.044 12.264 2.804 1.00 0.00 O ATOM 1565 CB ASP A 100 12.591 15.071 4.358 1.00 0.00 C ATOM 1566 CG ASP A 100 11.835 16.293 3.875 1.00 0.00 C ATOM 1567 OD1 ASP A 100 12.357 17.002 2.990 1.00 0.00 O ATOM 1568 OD2 ASP A 100 10.722 16.542 4.384 1.00 0.00 O ATOM 0 H ASP A 100 10.881 12.920 4.604 1.00 0.00 H new ATOM 0 HA ASP A 100 12.443 14.163 2.417 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.277 14.831 5.374 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.656 15.299 4.399 1.00 0.00 H new ATOM 1573 N GLY A 101 13.671 12.516 5.008 1.00 0.00 N ATOM 1574 CA GLY A 101 14.670 11.532 5.378 1.00 0.00 C ATOM 1575 C GLY A 101 15.133 11.687 6.813 1.00 0.00 C ATOM 1576 O GLY A 101 16.330 11.814 7.078 1.00 0.00 O ATOM 0 H GLY A 101 13.184 12.948 5.793 1.00 0.00 H new ATOM 0 HA2 GLY A 101 14.260 10.532 5.238 1.00 0.00 H new ATOM 0 HA3 GLY A 101 15.528 11.621 4.711 1.00 0.00 H new ATOM 1580 N THR A 102 14.184 11.680 7.744 1.00 0.00 N ATOM 1581 CA THR A 102 14.500 11.824 9.159 1.00 0.00 C ATOM 1582 C THR A 102 13.738 10.805 10.000 1.00 0.00 C ATOM 1583 O THR A 102 14.265 10.271 10.977 1.00 0.00 O ATOM 1584 CB THR A 102 14.171 13.240 9.667 1.00 0.00 C ATOM 1585 OG1 THR A 102 14.232 13.275 11.097 1.00 0.00 O ATOM 1586 CG2 THR A 102 12.789 13.674 9.203 1.00 0.00 C ATOM 0 H THR A 102 13.189 11.576 7.543 1.00 0.00 H new ATOM 0 HA THR A 102 15.571 11.648 9.262 1.00 0.00 H new ATOM 0 HB THR A 102 14.908 13.929 9.256 1.00 0.00 H new ATOM 0 HG1 THR A 102 14.023 14.179 11.411 1.00 0.00 H new ATOM 0 HG21 THR A 102 12.579 14.677 9.574 1.00 0.00 H new ATOM 0 HG22 THR A 102 12.755 13.676 8.114 1.00 0.00 H new ATOM 0 HG23 THR A 102 12.041 12.981 9.588 1.00 0.00 H new ATOM 1594 N THR A 103 12.494 10.539 9.614 1.00 0.00 N ATOM 1595 CA THR A 103 11.659 9.584 10.332 1.00 0.00 C ATOM 1596 C THR A 103 12.335 8.220 10.420 1.00 0.00 C ATOM 1597 O THR A 103 13.065 7.819 9.514 1.00 0.00 O ATOM 1598 CB THR A 103 10.285 9.421 9.656 1.00 0.00 C ATOM 1599 OG1 THR A 103 9.365 8.799 10.561 1.00 0.00 O ATOM 1600 CG2 THR A 103 10.400 8.587 8.389 1.00 0.00 C ATOM 0 H THR A 103 12.043 10.972 8.808 1.00 0.00 H new ATOM 0 HA THR A 103 11.516 9.981 11.337 1.00 0.00 H new ATOM 0 HB THR A 103 9.917 10.411 9.387 1.00 0.00 H new ATOM 0 HG1 THR A 103 8.625 8.404 10.055 1.00 0.00 H new ATOM 0 HG21 THR A 103 9.417 8.486 7.929 1.00 0.00 H new ATOM 0 HG22 THR A 103 11.078 9.078 7.691 1.00 0.00 H new ATOM 0 HG23 THR A 103 10.788 7.599 8.638 1.00 0.00 H new ATOM 1608 N ASP A 104 12.086 7.512 11.516 1.00 0.00 N ATOM 1609 CA ASP A 104 12.669 6.192 11.722 1.00 0.00 C ATOM 1610 C ASP A 104 11.622 5.099 11.526 1.00 0.00 C ATOM 1611 O ASP A 104 11.736 4.009 12.087 1.00 0.00 O ATOM 1612 CB ASP A 104 13.273 6.090 13.123 1.00 0.00 C ATOM 1613 CG ASP A 104 12.215 6.017 14.206 1.00 0.00 C ATOM 1614 OD1 ASP A 104 11.286 6.850 14.185 1.00 0.00 O ATOM 1615 OD2 ASP A 104 12.317 5.125 15.076 1.00 0.00 O ATOM 0 H ASP A 104 11.484 7.830 12.275 1.00 0.00 H new ATOM 0 HA ASP A 104 13.458 6.052 10.983 1.00 0.00 H new ATOM 0 HB2 ASP A 104 13.907 5.205 13.178 1.00 0.00 H new ATOM 0 HB3 ASP A 104 13.914 6.953 13.303 1.00 0.00 H new ATOM 1620 N TYR A 105 10.604 5.399 10.728 1.00 0.00 N ATOM 1621 CA TYR A 105 9.535 4.444 10.461 1.00 0.00 C ATOM 1622 C TYR A 105 10.104 3.099 10.021 1.00 0.00 C ATOM 1623 O TYR A 105 10.034 2.114 10.756 1.00 0.00 O ATOM 1624 CB TYR A 105 8.593 4.988 9.385 1.00 0.00 C ATOM 1625 CG TYR A 105 7.873 6.253 9.794 1.00 0.00 C ATOM 1626 CD1 TYR A 105 7.383 6.410 11.085 1.00 0.00 C ATOM 1627 CD2 TYR A 105 7.680 7.290 8.890 1.00 0.00 C ATOM 1628 CE1 TYR A 105 6.723 7.563 11.464 1.00 0.00 C ATOM 1629 CE2 TYR A 105 7.023 8.447 9.260 1.00 0.00 C ATOM 1630 CZ TYR A 105 6.546 8.579 10.548 1.00 0.00 C ATOM 1631 OH TYR A 105 5.889 9.730 10.920 1.00 0.00 O ATOM 0 H TYR A 105 10.496 6.296 10.255 1.00 0.00 H new ATOM 0 HA TYR A 105 8.975 4.297 11.384 1.00 0.00 H new ATOM 0 HB2 TYR A 105 9.165 5.183 8.478 1.00 0.00 H new ATOM 0 HB3 TYR A 105 7.856 4.224 9.139 1.00 0.00 H new ATOM 0 HD1 TYR A 105 7.521 5.617 11.805 1.00 0.00 H new ATOM 0 HD2 TYR A 105 8.050 7.190 7.880 1.00 0.00 H new ATOM 0 HE1 TYR A 105 6.348 7.668 12.471 1.00 0.00 H new ATOM 0 HE2 TYR A 105 6.883 9.244 8.545 1.00 0.00 H new ATOM 0 HH TYR A 105 5.850 10.345 10.158 1.00 0.00 H new ATOM 1641 N GLN A 106 10.667 3.066 8.818 1.00 0.00 N ATOM 1642 CA GLN A 106 11.249 1.842 8.280 1.00 0.00 C ATOM 1643 C GLN A 106 12.762 1.829 8.470 1.00 0.00 C ATOM 1644 O GLN A 106 13.360 0.778 8.699 1.00 0.00 O ATOM 1645 CB GLN A 106 10.908 1.700 6.796 1.00 0.00 C ATOM 1646 CG GLN A 106 11.671 2.664 5.901 1.00 0.00 C ATOM 1647 CD GLN A 106 13.005 2.105 5.447 1.00 0.00 C ATOM 1648 OE1 GLN A 106 14.053 2.712 5.670 1.00 0.00 O ATOM 1649 NE2 GLN A 106 12.974 0.943 4.805 1.00 0.00 N ATOM 0 H GLN A 106 10.733 3.873 8.197 1.00 0.00 H new ATOM 0 HA GLN A 106 10.826 0.998 8.825 1.00 0.00 H new ATOM 0 HB2 GLN A 106 11.119 0.679 6.479 1.00 0.00 H new ATOM 0 HB3 GLN A 106 9.838 1.861 6.661 1.00 0.00 H new ATOM 0 HG2 GLN A 106 11.064 2.901 5.027 1.00 0.00 H new ATOM 0 HG3 GLN A 106 11.836 3.599 6.437 1.00 0.00 H new ATOM 0 HE21 GLN A 106 12.083 0.474 4.642 1.00 0.00 H new ATOM 0 HE22 GLN A 106 13.841 0.519 4.475 1.00 0.00 H new ATOM 1658 N SER A 107 13.376 3.004 8.372 1.00 0.00 N ATOM 1659 CA SER A 107 14.820 3.127 8.528 1.00 0.00 C ATOM 1660 C SER A 107 15.305 2.335 9.739 1.00 0.00 C ATOM 1661 O SER A 107 14.528 2.014 10.637 1.00 0.00 O ATOM 1662 CB SER A 107 15.215 4.598 8.676 1.00 0.00 C ATOM 1663 OG SER A 107 16.609 4.773 8.493 1.00 0.00 O ATOM 0 H SER A 107 12.896 3.884 8.185 1.00 0.00 H new ATOM 0 HA SER A 107 15.293 2.719 7.635 1.00 0.00 H new ATOM 0 HB2 SER A 107 14.671 5.199 7.947 1.00 0.00 H new ATOM 0 HB3 SER A 107 14.927 4.957 9.664 1.00 0.00 H new ATOM 0 HG SER A 107 16.835 5.721 8.591 1.00 0.00 H new ATOM 1669 N GLY A 108 16.598 2.022 9.755 1.00 0.00 N ATOM 1670 CA GLY A 108 17.165 1.270 10.858 1.00 0.00 C ATOM 1671 C GLY A 108 18.603 1.656 11.145 1.00 0.00 C ATOM 1672 O GLY A 108 19.545 1.011 10.684 1.00 0.00 O ATOM 0 H GLY A 108 17.262 2.276 9.024 1.00 0.00 H new ATOM 0 HA2 GLY A 108 16.563 1.433 11.752 1.00 0.00 H new ATOM 0 HA3 GLY A 108 17.116 0.205 10.631 1.00 0.00 H new ATOM 1676 N PRO A 109 18.787 2.734 11.922 1.00 0.00 N ATOM 1677 CA PRO A 109 20.117 3.230 12.285 1.00 0.00 C ATOM 1678 C PRO A 109 20.843 2.293 13.244 1.00 0.00 C ATOM 1679 O PRO A 109 20.262 1.814 14.218 1.00 0.00 O ATOM 1680 CB PRO A 109 19.823 4.569 12.966 1.00 0.00 C ATOM 1681 CG PRO A 109 18.433 4.432 13.486 1.00 0.00 C ATOM 1682 CD PRO A 109 17.709 3.551 12.506 1.00 0.00 C ATOM 0 HA PRO A 109 20.772 3.312 11.418 1.00 0.00 H new ATOM 0 HB2 PRO A 109 20.530 4.767 13.772 1.00 0.00 H new ATOM 0 HB3 PRO A 109 19.903 5.397 12.262 1.00 0.00 H new ATOM 0 HG2 PRO A 109 18.431 3.991 14.483 1.00 0.00 H new ATOM 0 HG3 PRO A 109 17.949 5.405 13.567 1.00 0.00 H new ATOM 0 HD2 PRO A 109 16.958 2.933 12.999 1.00 0.00 H new ATOM 0 HD3 PRO A 109 17.191 4.136 11.746 1.00 0.00 H new ATOM 1690 N SER A 110 22.116 2.036 12.963 1.00 0.00 N ATOM 1691 CA SER A 110 22.921 1.153 13.799 1.00 0.00 C ATOM 1692 C SER A 110 24.032 1.931 14.499 1.00 0.00 C ATOM 1693 O SER A 110 25.161 1.993 14.013 1.00 0.00 O ATOM 1694 CB SER A 110 23.524 0.027 12.957 1.00 0.00 C ATOM 1695 OG SER A 110 24.186 0.543 11.815 1.00 0.00 O ATOM 0 H SER A 110 22.613 2.427 12.162 1.00 0.00 H new ATOM 0 HA SER A 110 22.270 0.720 14.558 1.00 0.00 H new ATOM 0 HB2 SER A 110 24.227 -0.546 13.561 1.00 0.00 H new ATOM 0 HB3 SER A 110 22.737 -0.660 12.646 1.00 0.00 H new ATOM 0 HG SER A 110 24.798 1.259 12.087 1.00 0.00 H new ATOM 1701 N SER A 111 23.702 2.522 15.643 1.00 0.00 N ATOM 1702 CA SER A 111 24.669 3.299 16.408 1.00 0.00 C ATOM 1703 C SER A 111 24.410 3.165 17.906 1.00 0.00 C ATOM 1704 O SER A 111 23.357 2.689 18.325 1.00 0.00 O ATOM 1705 CB SER A 111 24.610 4.772 15.999 1.00 0.00 C ATOM 1706 OG SER A 111 25.744 5.479 16.471 1.00 0.00 O ATOM 0 H SER A 111 22.772 2.477 16.060 1.00 0.00 H new ATOM 0 HA SER A 111 25.664 2.909 16.192 1.00 0.00 H new ATOM 0 HB2 SER A 111 24.556 4.849 14.913 1.00 0.00 H new ATOM 0 HB3 SER A 111 23.703 5.227 16.397 1.00 0.00 H new ATOM 0 HG SER A 111 25.683 6.417 16.195 1.00 0.00 H new ATOM 1712 N GLY A 112 25.382 3.590 18.708 1.00 0.00 N ATOM 1713 CA GLY A 112 25.241 3.510 20.150 1.00 0.00 C ATOM 1714 C GLY A 112 26.573 3.593 20.868 1.00 0.00 C ATOM 1715 O GLY A 112 27.333 4.541 20.673 1.00 0.00 O ATOM 0 H GLY A 112 26.264 3.988 18.385 1.00 0.00 H new ATOM 0 HA2 GLY A 112 24.595 4.318 20.494 1.00 0.00 H new ATOM 0 HA3 GLY A 112 24.748 2.574 20.412 1.00 0.00 H new TER 1719 GLY A 112