USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 972 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 25 CYS SG : rot 180:sc= -1.28! USER MOD Set 1.2: A 131 TYR OH : rot -178:sc= -1.19! USER MOD Set 2.1: A 4 SER OG : rot 180:sc= 0.618 USER MOD Set 2.2: A 105 THR OG1 : rot -82:sc= 0.679 USER MOD Set 3.1: A 71 THR OG1 : rot -170:sc= 0.0902 USER MOD Set 3.2: A 80 SER OG : rot -90:sc= 0.104 USER MOD Set 4.1: A 41 SER OG : rot 116:sc= 1.39 USER MOD Set 4.2: A 53 HIS : no HD1:sc= 0.322 K(o=1.7,f=-5.7!) USER MOD Set 5.1: A 30 ASN : amide:sc= 0.114 X(o=-0.37,f=-0.15) USER MOD Set 5.2: A 38 THR OG1 : rot 80:sc= -0.415 USER MOD Set 5.3: A 55 MET CE :methyl -168:sc= -0.0704 (180deg=-0.306) USER MOD Single : A 1 MET CE :methyl 141:sc= -0.346 (180deg=-1.18) USER MOD Single : A 1 MET N :NH3+ -150:sc= 1.32 (180deg=0.25) USER MOD Single : A 2 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.011) USER MOD Single : A 8 HIS : no HD1:sc= -0.257 K(o=-0.26,f=-0.9) USER MOD Single : A 11 GLN : amide:sc= -3.85! C(o=-3.8!,f=-6.3!) USER MOD Single : A 21 ASN : amide:sc= -0.0782 X(o=-0.078,f=-0.47) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -0.75 X(o=-0.75,f=-0.67) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot -6:sc= -4.13! USER MOD Single : A 54 HIS : no HD1:sc=-0.00108 X(o=-0.0011,f=-0.38) USER MOD Single : A 58 LYS NZ :NH3+ -169:sc= -0.0132 (180deg=-0.159) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -160:sc= -0.281 USER MOD Single : A 69 THR OG1 : rot 180:sc= -1.5! USER MOD Single : A 77 THR OG1 : rot 109:sc= 0.123 USER MOD Single : A 83 MET CE :methyl 167:sc= -0.0636 (180deg=-0.325) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 SER OG : rot 39:sc= 0.0907 USER MOD Single : A 100 THR OG1 : rot 83:sc= 0.747 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 THR OG1 : rot 30:sc= 0.107 USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 117 GLN : amide:sc= 0.658 K(o=0.66,f=-5.5!) USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 GLN : amide:sc= -3.91! C(o=-3.9!,f=-5.4!) USER MOD Single : A 127 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 129 LYS NZ :NH3+ -168:sc= 0.585 (180deg=0.368) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.464 16.579 1.878 1.00 0.00 N ATOM 2 CA MET A 1 5.183 16.472 3.324 1.00 0.00 C ATOM 3 C MET A 1 4.819 15.016 3.654 1.00 0.00 C ATOM 4 O MET A 1 3.670 14.605 3.491 1.00 0.00 O ATOM 5 CB MET A 1 4.028 17.442 3.703 1.00 0.00 C ATOM 6 CG MET A 1 3.619 17.414 5.181 1.00 0.00 C ATOM 7 SD MET A 1 2.136 18.391 5.504 1.00 0.00 S ATOM 8 CE MET A 1 0.919 17.560 4.476 1.00 0.00 C ATOM 0 H1 MET A 1 6.160 17.334 1.715 1.00 0.00 H new ATOM 0 H2 MET A 1 5.845 15.676 1.531 1.00 0.00 H new ATOM 0 H3 MET A 1 4.585 16.802 1.369 1.00 0.00 H new ATOM 0 HA MET A 1 6.062 16.752 3.904 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.326 18.458 3.443 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.156 17.200 3.095 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.445 16.383 5.487 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.440 17.793 5.790 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.035 17.520 5.002 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.796 18.109 3.542 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.257 16.547 4.259 1.00 0.00 H new ATOM 20 N LYS A 2 5.813 14.239 4.121 1.00 0.00 N ATOM 21 CA LYS A 2 5.641 12.803 4.388 1.00 0.00 C ATOM 22 C LYS A 2 4.918 12.590 5.731 1.00 0.00 C ATOM 23 O LYS A 2 5.189 13.287 6.715 1.00 0.00 O ATOM 24 CB LYS A 2 7.000 12.053 4.359 1.00 0.00 C ATOM 25 CG LYS A 2 8.028 12.512 5.416 1.00 0.00 C ATOM 26 CD LYS A 2 9.317 11.661 5.405 1.00 0.00 C ATOM 27 CE LYS A 2 10.330 12.104 6.472 1.00 0.00 C ATOM 28 NZ LYS A 2 10.863 13.467 6.223 1.00 0.00 N ATOM 0 H LYS A 2 6.750 14.587 4.322 1.00 0.00 H new ATOM 0 HA LYS A 2 5.023 12.383 3.594 1.00 0.00 H new ATOM 0 HB2 LYS A 2 6.812 10.988 4.497 1.00 0.00 H new ATOM 0 HB3 LYS A 2 7.442 12.173 3.370 1.00 0.00 H new ATOM 0 HG2 LYS A 2 8.285 13.556 5.237 1.00 0.00 H new ATOM 0 HG3 LYS A 2 7.573 12.461 6.405 1.00 0.00 H new ATOM 0 HD2 LYS A 2 9.058 10.615 5.568 1.00 0.00 H new ATOM 0 HD3 LYS A 2 9.781 11.725 4.421 1.00 0.00 H new ATOM 0 HE2 LYS A 2 9.854 12.078 7.452 1.00 0.00 H new ATOM 0 HE3 LYS A 2 11.157 11.394 6.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 11.579 13.697 6.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 11.297 13.503 5.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 10.087 14.158 6.274 1.00 0.00 H new ATOM 42 N ILE A 3 3.972 11.650 5.736 1.00 0.00 N ATOM 43 CA ILE A 3 3.153 11.293 6.896 1.00 0.00 C ATOM 44 C ILE A 3 3.268 9.783 7.128 1.00 0.00 C ATOM 45 O ILE A 3 3.134 9.001 6.185 1.00 0.00 O ATOM 46 CB ILE A 3 1.644 11.674 6.655 1.00 0.00 C ATOM 47 CG1 ILE A 3 1.479 13.211 6.388 1.00 0.00 C ATOM 48 CG2 ILE A 3 0.750 11.200 7.825 1.00 0.00 C ATOM 49 CD1 ILE A 3 0.064 13.655 6.062 1.00 0.00 C ATOM 0 H ILE A 3 3.747 11.099 4.908 1.00 0.00 H new ATOM 0 HA ILE A 3 3.509 11.842 7.768 1.00 0.00 H new ATOM 0 HB ILE A 3 1.311 11.151 5.759 1.00 0.00 H new ATOM 0 HG12 ILE A 3 1.822 13.757 7.267 1.00 0.00 H new ATOM 0 HG13 ILE A 3 2.132 13.494 5.563 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.285 11.478 7.628 1.00 0.00 H new ATOM 0 HG22 ILE A 3 0.822 10.117 7.922 1.00 0.00 H new ATOM 0 HG23 ILE A 3 1.082 11.670 8.750 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.050 14.732 5.894 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.280 13.143 5.164 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.595 13.410 6.895 1.00 0.00 H new ATOM 61 N SER A 4 3.518 9.382 8.373 1.00 0.00 N ATOM 62 CA SER A 4 3.577 7.972 8.769 1.00 0.00 C ATOM 63 C SER A 4 2.242 7.570 9.413 1.00 0.00 C ATOM 64 O SER A 4 1.719 8.282 10.278 1.00 0.00 O ATOM 65 CB SER A 4 4.746 7.747 9.747 1.00 0.00 C ATOM 66 OG SER A 4 5.963 8.184 9.172 1.00 0.00 O ATOM 0 H SER A 4 3.687 10.030 9.143 1.00 0.00 H new ATOM 0 HA SER A 4 3.746 7.350 7.890 1.00 0.00 H new ATOM 0 HB2 SER A 4 4.561 8.287 10.675 1.00 0.00 H new ATOM 0 HB3 SER A 4 4.816 6.690 10.002 1.00 0.00 H new ATOM 0 HG SER A 4 6.696 8.036 9.806 1.00 0.00 H new ATOM 72 N ILE A 5 1.695 6.454 8.945 1.00 0.00 N ATOM 73 CA ILE A 5 0.535 5.776 9.536 1.00 0.00 C ATOM 74 C ILE A 5 0.975 4.368 9.973 1.00 0.00 C ATOM 75 O ILE A 5 2.060 3.915 9.585 1.00 0.00 O ATOM 76 CB ILE A 5 -0.660 5.678 8.521 1.00 0.00 C ATOM 77 CG1 ILE A 5 -0.211 4.979 7.195 1.00 0.00 C ATOM 78 CG2 ILE A 5 -1.268 7.074 8.253 1.00 0.00 C ATOM 79 CD1 ILE A 5 -1.301 4.781 6.163 1.00 0.00 C ATOM 0 H ILE A 5 2.054 5.977 8.118 1.00 0.00 H new ATOM 0 HA ILE A 5 0.182 6.353 10.391 1.00 0.00 H new ATOM 0 HB ILE A 5 -1.439 5.060 8.967 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.588 5.569 6.746 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.212 4.006 7.443 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.094 6.982 7.547 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.635 7.497 9.188 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.504 7.729 7.834 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.885 4.289 5.284 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.093 4.162 6.584 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.711 5.749 5.877 1.00 0.00 H new ATOM 91 N GLU A 6 0.142 3.686 10.772 1.00 0.00 N ATOM 92 CA GLU A 6 0.501 2.378 11.349 1.00 0.00 C ATOM 93 C GLU A 6 -0.733 1.473 11.519 1.00 0.00 C ATOM 94 O GLU A 6 -1.867 1.962 11.585 1.00 0.00 O ATOM 95 CB GLU A 6 1.240 2.570 12.708 1.00 0.00 C ATOM 96 CG GLU A 6 0.380 3.078 13.891 1.00 0.00 C ATOM 97 CD GLU A 6 -0.162 4.509 13.712 1.00 0.00 C ATOM 98 OE1 GLU A 6 0.570 5.473 14.011 1.00 0.00 O ATOM 99 OE2 GLU A 6 -1.325 4.679 13.286 1.00 0.00 O ATOM 0 H GLU A 6 -0.786 4.017 11.035 1.00 0.00 H new ATOM 0 HA GLU A 6 1.175 1.879 10.652 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.685 1.617 12.993 1.00 0.00 H new ATOM 0 HB3 GLU A 6 2.060 3.272 12.555 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -0.461 2.399 14.032 1.00 0.00 H new ATOM 0 HG3 GLU A 6 0.977 3.039 14.802 1.00 0.00 H new ATOM 106 N ALA A 7 -0.480 0.150 11.571 1.00 0.00 N ATOM 107 CA ALA A 7 -1.494 -0.890 11.840 1.00 0.00 C ATOM 108 C ALA A 7 -0.788 -2.235 12.083 1.00 0.00 C ATOM 109 O ALA A 7 -0.071 -2.713 11.203 1.00 0.00 O ATOM 110 CB ALA A 7 -2.494 -1.019 10.665 1.00 0.00 C ATOM 0 H ALA A 7 0.454 -0.233 11.424 1.00 0.00 H new ATOM 0 HA ALA A 7 -2.059 -0.603 12.726 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -3.227 -1.792 10.894 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.005 -0.068 10.516 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.955 -1.288 9.756 1.00 0.00 H new ATOM 116 N HIS A 8 -1.007 -2.862 13.261 1.00 0.00 N ATOM 117 CA HIS A 8 -0.373 -4.147 13.614 1.00 0.00 C ATOM 118 C HIS A 8 -1.357 -5.290 13.328 1.00 0.00 C ATOM 119 O HIS A 8 -2.293 -5.538 14.091 1.00 0.00 O ATOM 120 CB HIS A 8 0.145 -4.179 15.086 1.00 0.00 C ATOM 121 CG HIS A 8 -0.872 -3.864 16.156 1.00 0.00 C ATOM 122 ND1 HIS A 8 -1.680 -4.819 16.739 1.00 0.00 N ATOM 123 CD2 HIS A 8 -1.200 -2.693 16.750 1.00 0.00 C ATOM 124 CE1 HIS A 8 -2.454 -4.250 17.636 1.00 0.00 C ATOM 125 NE2 HIS A 8 -2.187 -2.964 17.664 1.00 0.00 N ATOM 0 H HIS A 8 -1.623 -2.493 13.986 1.00 0.00 H new ATOM 0 HA HIS A 8 0.514 -4.274 12.993 1.00 0.00 H new ATOM 0 HB2 HIS A 8 0.555 -5.169 15.284 1.00 0.00 H new ATOM 0 HB3 HIS A 8 0.968 -3.470 15.175 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -0.766 -1.726 16.543 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -3.187 -4.755 18.248 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -2.640 -2.278 18.268 1.00 0.00 H new ATOM 134 N ILE A 9 -1.163 -5.934 12.173 1.00 0.00 N ATOM 135 CA ILE A 9 -1.948 -7.104 11.757 1.00 0.00 C ATOM 136 C ILE A 9 -1.500 -8.313 12.594 1.00 0.00 C ATOM 137 O ILE A 9 -0.306 -8.575 12.671 1.00 0.00 O ATOM 138 CB ILE A 9 -1.735 -7.412 10.223 1.00 0.00 C ATOM 139 CG1 ILE A 9 -1.943 -6.118 9.367 1.00 0.00 C ATOM 140 CG2 ILE A 9 -2.665 -8.559 9.753 1.00 0.00 C ATOM 141 CD1 ILE A 9 -1.767 -6.298 7.869 1.00 0.00 C ATOM 0 H ILE A 9 -0.453 -5.658 11.495 1.00 0.00 H new ATOM 0 HA ILE A 9 -3.007 -6.900 11.916 1.00 0.00 H new ATOM 0 HB ILE A 9 -0.707 -7.745 10.079 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -2.946 -5.734 9.555 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -1.241 -5.358 9.710 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.498 -8.751 8.693 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.447 -9.461 10.324 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.705 -8.272 9.911 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.932 -5.345 7.366 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.756 -6.648 7.661 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.487 -7.030 7.503 1.00 0.00 H new ATOM 153 N GLU A 10 -2.447 -9.031 13.222 1.00 0.00 N ATOM 154 CA GLU A 10 -2.150 -10.242 14.018 1.00 0.00 C ATOM 155 C GLU A 10 -1.893 -11.454 13.089 1.00 0.00 C ATOM 156 O GLU A 10 -2.614 -12.453 13.119 1.00 0.00 O ATOM 157 CB GLU A 10 -3.305 -10.522 15.022 1.00 0.00 C ATOM 158 CG GLU A 10 -3.500 -9.446 16.112 1.00 0.00 C ATOM 159 CD GLU A 10 -4.580 -9.825 17.145 1.00 0.00 C ATOM 160 OE1 GLU A 10 -4.297 -10.648 18.043 1.00 0.00 O ATOM 161 OE2 GLU A 10 -5.711 -9.302 17.068 1.00 0.00 O ATOM 0 H GLU A 10 -3.438 -8.792 13.194 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.240 -10.073 14.595 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.235 -10.623 14.463 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.119 -11.480 15.508 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.553 -9.283 16.627 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.772 -8.503 15.639 1.00 0.00 H new ATOM 168 N GLN A 11 -0.823 -11.344 12.292 1.00 0.00 N ATOM 169 CA GLN A 11 -0.477 -12.308 11.241 1.00 0.00 C ATOM 170 C GLN A 11 1.009 -12.182 10.894 1.00 0.00 C ATOM 171 O GLN A 11 1.605 -11.119 11.095 1.00 0.00 O ATOM 172 CB GLN A 11 -1.393 -12.085 10.003 1.00 0.00 C ATOM 173 CG GLN A 11 -1.133 -12.977 8.765 1.00 0.00 C ATOM 174 CD GLN A 11 -1.272 -14.496 8.987 1.00 0.00 C ATOM 175 OE1 GLN A 11 -0.943 -15.042 10.035 1.00 0.00 O ATOM 176 NE2 GLN A 11 -1.769 -15.191 7.987 1.00 0.00 N ATOM 0 H GLN A 11 -0.163 -10.570 12.361 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.645 -13.325 11.594 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.427 -12.233 10.316 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.299 -11.043 9.696 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.824 -12.680 7.976 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.126 -12.774 8.400 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -2.037 -14.721 7.123 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.886 -16.200 8.076 1.00 0.00 H new ATOM 185 N GLU A 12 1.595 -13.280 10.373 1.00 0.00 N ATOM 186 CA GLU A 12 3.020 -13.366 10.011 1.00 0.00 C ATOM 187 C GLU A 12 3.364 -12.373 8.895 1.00 0.00 C ATOM 188 O GLU A 12 2.553 -12.153 7.993 1.00 0.00 O ATOM 189 CB GLU A 12 3.362 -14.797 9.535 1.00 0.00 C ATOM 190 CG GLU A 12 3.013 -15.916 10.532 1.00 0.00 C ATOM 191 CD GLU A 12 3.362 -17.308 9.987 1.00 0.00 C ATOM 192 OE1 GLU A 12 2.583 -17.842 9.172 1.00 0.00 O ATOM 193 OE2 GLU A 12 4.409 -17.870 10.368 1.00 0.00 O ATOM 0 H GLU A 12 1.082 -14.142 10.190 1.00 0.00 H new ATOM 0 HA GLU A 12 3.605 -13.120 10.897 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.836 -14.988 8.600 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.429 -14.846 9.317 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.549 -15.748 11.466 1.00 0.00 H new ATOM 0 HG3 GLU A 12 1.949 -15.875 10.764 1.00 0.00 H new ATOM 200 N ILE A 13 4.583 -11.828 8.957 1.00 0.00 N ATOM 201 CA ILE A 13 5.086 -10.809 8.013 1.00 0.00 C ATOM 202 C ILE A 13 5.099 -11.325 6.563 1.00 0.00 C ATOM 203 O ILE A 13 4.854 -10.564 5.627 1.00 0.00 O ATOM 204 CB ILE A 13 6.518 -10.325 8.461 1.00 0.00 C ATOM 205 CG1 ILE A 13 6.981 -9.089 7.641 1.00 0.00 C ATOM 206 CG2 ILE A 13 7.567 -11.468 8.395 1.00 0.00 C ATOM 207 CD1 ILE A 13 8.270 -8.481 8.134 1.00 0.00 C ATOM 0 H ILE A 13 5.263 -12.082 9.673 1.00 0.00 H new ATOM 0 HA ILE A 13 4.404 -9.959 8.035 1.00 0.00 H new ATOM 0 HB ILE A 13 6.438 -10.022 9.505 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.103 -9.381 6.598 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.198 -8.331 7.670 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.539 -11.089 8.712 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.262 -12.281 9.054 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.638 -11.838 7.372 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.529 -7.624 7.513 1.00 0.00 H new ATOM 0 HD12 ILE A 13 8.147 -8.156 9.167 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.067 -9.223 8.079 1.00 0.00 H new ATOM 219 N GLU A 14 5.353 -12.638 6.406 1.00 0.00 N ATOM 220 CA GLU A 14 5.380 -13.300 5.093 1.00 0.00 C ATOM 221 C GLU A 14 3.960 -13.431 4.508 1.00 0.00 C ATOM 222 O GLU A 14 3.758 -13.223 3.314 1.00 0.00 O ATOM 223 CB GLU A 14 6.073 -14.678 5.206 1.00 0.00 C ATOM 224 CG GLU A 14 5.379 -15.680 6.145 1.00 0.00 C ATOM 225 CD GLU A 14 6.148 -16.996 6.276 1.00 0.00 C ATOM 226 OE1 GLU A 14 6.026 -17.851 5.376 1.00 0.00 O ATOM 227 OE2 GLU A 14 6.893 -17.173 7.263 1.00 0.00 O ATOM 0 H GLU A 14 5.545 -13.267 7.186 1.00 0.00 H new ATOM 0 HA GLU A 14 5.957 -12.683 4.405 1.00 0.00 H new ATOM 0 HB2 GLU A 14 6.136 -15.119 4.211 1.00 0.00 H new ATOM 0 HB3 GLU A 14 7.095 -14.526 5.553 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.267 -15.230 7.131 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.376 -15.886 5.773 1.00 0.00 H new ATOM 234 N ALA A 15 2.979 -13.758 5.367 1.00 0.00 N ATOM 235 CA ALA A 15 1.576 -13.921 4.950 1.00 0.00 C ATOM 236 C ALA A 15 0.938 -12.568 4.585 1.00 0.00 C ATOM 237 O ALA A 15 0.164 -12.467 3.624 1.00 0.00 O ATOM 238 CB ALA A 15 0.782 -14.651 6.029 1.00 0.00 C ATOM 0 H ALA A 15 3.135 -13.916 6.363 1.00 0.00 H new ATOM 0 HA ALA A 15 1.555 -14.533 4.048 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.253 -14.764 5.706 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.218 -15.635 6.199 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.812 -14.076 6.955 1.00 0.00 H new ATOM 244 N VAL A 16 1.302 -11.542 5.366 1.00 0.00 N ATOM 245 CA VAL A 16 0.950 -10.138 5.083 1.00 0.00 C ATOM 246 C VAL A 16 1.593 -9.694 3.747 1.00 0.00 C ATOM 247 O VAL A 16 0.953 -9.005 2.943 1.00 0.00 O ATOM 248 CB VAL A 16 1.409 -9.191 6.268 1.00 0.00 C ATOM 249 CG1 VAL A 16 1.221 -7.689 5.933 1.00 0.00 C ATOM 250 CG2 VAL A 16 0.676 -9.556 7.586 1.00 0.00 C ATOM 0 H VAL A 16 1.852 -11.660 6.217 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.134 -10.060 4.995 1.00 0.00 H new ATOM 0 HB VAL A 16 2.478 -9.356 6.406 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.550 -7.084 6.778 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.812 -7.436 5.053 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.168 -7.490 5.733 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.009 -8.892 8.383 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.399 -9.446 7.447 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.903 -10.588 7.855 1.00 0.00 H new ATOM 260 N TRP A 17 2.850 -10.142 3.518 1.00 0.00 N ATOM 261 CA TRP A 17 3.631 -9.770 2.325 1.00 0.00 C ATOM 262 C TRP A 17 3.042 -10.348 1.027 1.00 0.00 C ATOM 263 O TRP A 17 2.921 -9.615 0.045 1.00 0.00 O ATOM 264 CB TRP A 17 5.109 -10.209 2.460 1.00 0.00 C ATOM 265 CG TRP A 17 5.960 -9.886 1.244 1.00 0.00 C ATOM 266 CD1 TRP A 17 6.511 -10.775 0.354 1.00 0.00 C ATOM 267 CD2 TRP A 17 6.329 -8.578 0.775 1.00 0.00 C ATOM 268 NE1 TRP A 17 7.191 -10.100 -0.625 1.00 0.00 N ATOM 269 CE2 TRP A 17 7.096 -8.756 -0.388 1.00 0.00 C ATOM 270 CE3 TRP A 17 6.083 -7.278 1.229 1.00 0.00 C ATOM 271 CZ2 TRP A 17 7.618 -7.684 -1.099 1.00 0.00 C ATOM 272 CZ3 TRP A 17 6.604 -6.216 0.518 1.00 0.00 C ATOM 273 CH2 TRP A 17 7.365 -6.425 -0.636 1.00 0.00 C ATOM 0 H TRP A 17 3.345 -10.768 4.154 1.00 0.00 H new ATOM 0 HA TRP A 17 3.581 -8.683 2.262 1.00 0.00 H new ATOM 0 HB2 TRP A 17 5.543 -9.724 3.334 1.00 0.00 H new ATOM 0 HB3 TRP A 17 5.144 -11.283 2.641 1.00 0.00 H new ATOM 0 HD1 TRP A 17 6.421 -11.849 0.417 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.688 -10.530 -1.405 1.00 0.00 H new ATOM 0 HE3 TRP A 17 5.496 -7.108 2.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 8.206 -7.841 -1.991 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 6.421 -5.208 0.858 1.00 0.00 H new ATOM 0 HH2 TRP A 17 7.760 -5.574 -1.171 1.00 0.00 H new ATOM 284 N TRP A 18 2.713 -11.659 0.994 1.00 0.00 N ATOM 285 CA TRP A 18 2.181 -12.271 -0.245 1.00 0.00 C ATOM 286 C TRP A 18 0.752 -11.775 -0.515 1.00 0.00 C ATOM 287 O TRP A 18 0.335 -11.711 -1.662 1.00 0.00 O ATOM 288 CB TRP A 18 2.285 -13.827 -0.290 1.00 0.00 C ATOM 289 CG TRP A 18 1.385 -14.613 0.633 1.00 0.00 C ATOM 290 CD1 TRP A 18 1.757 -15.195 1.793 1.00 0.00 C ATOM 291 CD2 TRP A 18 -0.005 -14.964 0.446 1.00 0.00 C ATOM 292 NE1 TRP A 18 0.696 -15.843 2.372 1.00 0.00 N ATOM 293 CE2 TRP A 18 -0.393 -15.721 1.563 1.00 0.00 C ATOM 294 CE3 TRP A 18 -0.956 -14.697 -0.544 1.00 0.00 C ATOM 295 CZ2 TRP A 18 -1.680 -16.219 1.719 1.00 0.00 C ATOM 296 CZ3 TRP A 18 -2.232 -15.189 -0.387 1.00 0.00 C ATOM 297 CH2 TRP A 18 -2.587 -15.943 0.737 1.00 0.00 C ATOM 0 H TRP A 18 2.802 -12.297 1.785 1.00 0.00 H new ATOM 0 HA TRP A 18 2.828 -11.936 -1.056 1.00 0.00 H new ATOM 0 HB2 TRP A 18 2.082 -14.148 -1.312 1.00 0.00 H new ATOM 0 HB3 TRP A 18 3.316 -14.102 -0.068 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.753 -15.156 2.208 1.00 0.00 H new ATOM 0 HE1 TRP A 18 0.719 -16.337 3.264 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -0.694 -14.116 -1.416 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -1.953 -16.803 2.585 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -2.974 -14.989 -1.146 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -3.597 -16.313 0.829 1.00 0.00 H new ATOM 308 N ALA A 19 0.015 -11.431 0.561 1.00 0.00 N ATOM 309 CA ALA A 19 -1.299 -10.749 0.454 1.00 0.00 C ATOM 310 C ALA A 19 -1.145 -9.337 -0.153 1.00 0.00 C ATOM 311 O ALA A 19 -2.048 -8.836 -0.835 1.00 0.00 O ATOM 312 CB ALA A 19 -1.971 -10.678 1.835 1.00 0.00 C ATOM 0 H ALA A 19 0.307 -11.614 1.521 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.934 -11.330 -0.215 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.934 -10.176 1.746 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.122 -11.687 2.218 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.334 -10.121 2.522 1.00 0.00 H new ATOM 318 N TRP A 20 0.016 -8.713 0.116 1.00 0.00 N ATOM 319 CA TRP A 20 0.384 -7.392 -0.433 1.00 0.00 C ATOM 320 C TRP A 20 0.850 -7.524 -1.906 1.00 0.00 C ATOM 321 O TRP A 20 0.590 -6.644 -2.732 1.00 0.00 O ATOM 322 CB TRP A 20 1.507 -6.754 0.449 1.00 0.00 C ATOM 323 CG TRP A 20 1.839 -5.312 0.107 1.00 0.00 C ATOM 324 CD1 TRP A 20 2.680 -4.857 -0.879 1.00 0.00 C ATOM 325 CD2 TRP A 20 1.328 -4.140 0.759 1.00 0.00 C ATOM 326 NE1 TRP A 20 2.685 -3.485 -0.895 1.00 0.00 N ATOM 327 CE2 TRP A 20 1.867 -3.025 0.102 1.00 0.00 C ATOM 328 CE3 TRP A 20 0.454 -3.933 1.826 1.00 0.00 C ATOM 329 CZ2 TRP A 20 1.565 -1.722 0.483 1.00 0.00 C ATOM 330 CZ3 TRP A 20 0.152 -2.641 2.209 1.00 0.00 C ATOM 331 CH2 TRP A 20 0.701 -1.547 1.534 1.00 0.00 C ATOM 0 H TRP A 20 0.731 -9.112 0.724 1.00 0.00 H new ATOM 0 HA TRP A 20 -0.491 -6.742 -0.417 1.00 0.00 H new ATOM 0 HB2 TRP A 20 1.202 -6.804 1.494 1.00 0.00 H new ATOM 0 HB3 TRP A 20 2.412 -7.354 0.352 1.00 0.00 H new ATOM 0 HD1 TRP A 20 3.253 -5.486 -1.544 1.00 0.00 H new ATOM 0 HE1 TRP A 20 3.213 -2.902 -1.545 1.00 0.00 H new ATOM 0 HE3 TRP A 20 0.019 -4.773 2.347 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 1.996 -0.876 -0.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -0.517 -2.474 3.040 1.00 0.00 H new ATOM 0 HH2 TRP A 20 0.440 -0.546 1.845 1.00 0.00 H new ATOM 342 N ASN A 21 1.523 -8.644 -2.214 1.00 0.00 N ATOM 343 CA ASN A 21 2.225 -8.850 -3.504 1.00 0.00 C ATOM 344 C ASN A 21 1.248 -9.378 -4.580 1.00 0.00 C ATOM 345 O ASN A 21 1.324 -8.973 -5.749 1.00 0.00 O ATOM 346 CB ASN A 21 3.377 -9.883 -3.276 1.00 0.00 C ATOM 347 CG ASN A 21 4.437 -10.028 -4.404 1.00 0.00 C ATOM 348 OD1 ASN A 21 5.561 -10.421 -4.122 1.00 0.00 O ATOM 349 ND2 ASN A 21 4.140 -9.709 -5.662 1.00 0.00 N ATOM 0 H ASN A 21 1.600 -9.438 -1.578 1.00 0.00 H new ATOM 0 HA ASN A 21 2.630 -7.901 -3.856 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.897 -9.611 -2.357 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.925 -10.861 -3.110 1.00 0.00 H new ATOM 0 HD21 ASN A 21 4.849 -9.792 -6.390 1.00 0.00 H new ATOM 0 HD22 ASN A 21 3.203 -9.381 -5.897 1.00 0.00 H new ATOM 356 N ASP A 22 0.318 -10.247 -4.148 1.00 0.00 N ATOM 357 CA ASP A 22 -0.538 -11.057 -5.047 1.00 0.00 C ATOM 358 C ASP A 22 -1.403 -10.146 -5.945 1.00 0.00 C ATOM 359 O ASP A 22 -2.173 -9.353 -5.418 1.00 0.00 O ATOM 360 CB ASP A 22 -1.431 -12.021 -4.214 1.00 0.00 C ATOM 361 CG ASP A 22 -2.198 -13.051 -5.063 1.00 0.00 C ATOM 362 OD1 ASP A 22 -3.314 -12.754 -5.528 1.00 0.00 O ATOM 363 OD2 ASP A 22 -1.683 -14.170 -5.266 1.00 0.00 O ATOM 0 H ASP A 22 0.134 -10.412 -3.158 1.00 0.00 H new ATOM 0 HA ASP A 22 0.105 -11.654 -5.694 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.805 -12.551 -3.496 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.147 -11.433 -3.640 1.00 0.00 H new ATOM 368 N PRO A 23 -1.259 -10.227 -7.314 1.00 0.00 N ATOM 369 CA PRO A 23 -1.995 -9.350 -8.262 1.00 0.00 C ATOM 370 C PRO A 23 -3.533 -9.498 -8.162 1.00 0.00 C ATOM 371 O PRO A 23 -4.277 -8.509 -8.301 1.00 0.00 O ATOM 372 CB PRO A 23 -1.470 -9.787 -9.662 1.00 0.00 C ATOM 373 CG PRO A 23 -0.173 -10.490 -9.391 1.00 0.00 C ATOM 374 CD PRO A 23 -0.352 -11.161 -8.047 1.00 0.00 C ATOM 0 HA PRO A 23 -1.819 -8.296 -8.048 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -2.180 -10.447 -10.161 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -1.323 -8.926 -10.314 1.00 0.00 H new ATOM 0 HG2 PRO A 23 0.047 -11.221 -10.169 1.00 0.00 H new ATOM 0 HG3 PRO A 23 0.659 -9.786 -9.371 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -0.793 -12.153 -8.148 1.00 0.00 H new ATOM 0 HD3 PRO A 23 0.599 -11.286 -7.530 1.00 0.00 H new ATOM 382 N ASP A 24 -4.002 -10.731 -7.912 1.00 0.00 N ATOM 383 CA ASP A 24 -5.442 -11.008 -7.750 1.00 0.00 C ATOM 384 C ASP A 24 -5.951 -10.458 -6.406 1.00 0.00 C ATOM 385 O ASP A 24 -7.122 -10.092 -6.292 1.00 0.00 O ATOM 386 CB ASP A 24 -5.723 -12.526 -7.893 1.00 0.00 C ATOM 387 CG ASP A 24 -7.221 -12.882 -7.875 1.00 0.00 C ATOM 388 OD1 ASP A 24 -7.875 -12.803 -8.936 1.00 0.00 O ATOM 389 OD2 ASP A 24 -7.755 -13.222 -6.801 1.00 0.00 O ATOM 0 H ASP A 24 -3.406 -11.553 -7.817 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.989 -10.496 -8.542 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.285 -12.881 -8.826 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.223 -13.057 -7.083 1.00 0.00 H new ATOM 394 N CYS A 25 -5.053 -10.384 -5.405 1.00 0.00 N ATOM 395 CA CYS A 25 -5.349 -9.746 -4.111 1.00 0.00 C ATOM 396 C CYS A 25 -5.394 -8.219 -4.264 1.00 0.00 C ATOM 397 O CYS A 25 -6.240 -7.580 -3.659 1.00 0.00 O ATOM 398 CB CYS A 25 -4.331 -10.166 -3.031 1.00 0.00 C ATOM 399 SG CYS A 25 -4.403 -11.925 -2.612 1.00 0.00 S ATOM 0 H CYS A 25 -4.108 -10.763 -5.471 1.00 0.00 H new ATOM 0 HA CYS A 25 -6.331 -10.087 -3.783 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -3.326 -9.924 -3.377 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -4.507 -9.579 -2.130 1.00 0.00 H new ATOM 0 HG CYS A 25 -3.515 -12.191 -1.701 1.00 0.00 H new ATOM 405 N ILE A 26 -4.488 -7.643 -5.089 1.00 0.00 N ATOM 406 CA ILE A 26 -4.513 -6.200 -5.453 1.00 0.00 C ATOM 407 C ILE A 26 -5.896 -5.811 -6.015 1.00 0.00 C ATOM 408 O ILE A 26 -6.408 -4.724 -5.737 1.00 0.00 O ATOM 409 CB ILE A 26 -3.384 -5.848 -6.512 1.00 0.00 C ATOM 410 CG1 ILE A 26 -1.951 -6.086 -5.925 1.00 0.00 C ATOM 411 CG2 ILE A 26 -3.525 -4.400 -7.048 1.00 0.00 C ATOM 412 CD1 ILE A 26 -1.576 -5.188 -4.750 1.00 0.00 C ATOM 0 H ILE A 26 -3.722 -8.159 -5.521 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.319 -5.628 -4.545 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.520 -6.526 -7.354 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.874 -7.126 -5.607 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.220 -5.941 -6.721 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.733 -4.200 -7.770 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.495 -4.284 -7.532 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.447 -3.696 -6.219 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.567 -5.429 -4.415 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.615 -4.145 -5.063 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.278 -5.348 -3.931 1.00 0.00 H new ATOM 424 N ALA A 27 -6.491 -6.734 -6.795 1.00 0.00 N ATOM 425 CA ALA A 27 -7.853 -6.571 -7.337 1.00 0.00 C ATOM 426 C ALA A 27 -8.925 -6.531 -6.218 1.00 0.00 C ATOM 427 O ALA A 27 -9.965 -5.889 -6.377 1.00 0.00 O ATOM 428 CB ALA A 27 -8.150 -7.702 -8.333 1.00 0.00 C ATOM 0 H ALA A 27 -6.043 -7.609 -7.066 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.898 -5.612 -7.852 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.157 -7.580 -8.732 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.429 -7.666 -9.150 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.075 -8.663 -7.825 1.00 0.00 H new ATOM 434 N ARG A 28 -8.654 -7.226 -5.097 1.00 0.00 N ATOM 435 CA ARG A 28 -9.586 -7.328 -3.953 1.00 0.00 C ATOM 436 C ARG A 28 -9.490 -6.068 -3.062 1.00 0.00 C ATOM 437 O ARG A 28 -10.489 -5.366 -2.886 1.00 0.00 O ATOM 438 CB ARG A 28 -9.297 -8.612 -3.138 1.00 0.00 C ATOM 439 CG ARG A 28 -9.299 -9.910 -3.981 1.00 0.00 C ATOM 440 CD ARG A 28 -8.991 -11.170 -3.153 1.00 0.00 C ATOM 441 NE ARG A 28 -8.766 -12.355 -4.007 1.00 0.00 N ATOM 442 CZ ARG A 28 -8.965 -13.629 -3.626 1.00 0.00 C ATOM 443 NH1 ARG A 28 -9.387 -13.918 -2.401 1.00 0.00 N ATOM 444 NH2 ARG A 28 -8.711 -14.617 -4.469 1.00 0.00 N ATOM 0 H ARG A 28 -7.781 -7.735 -4.957 1.00 0.00 H new ATOM 0 HA ARG A 28 -10.605 -7.391 -4.335 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -8.327 -8.510 -2.651 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -10.043 -8.703 -2.348 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -10.273 -10.025 -4.457 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -8.562 -9.818 -4.779 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.108 -10.993 -2.539 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -9.819 -11.367 -2.471 1.00 0.00 H new ATOM 0 HE ARG A 28 -8.434 -12.194 -4.958 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.565 -13.168 -1.733 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.533 -14.890 -2.128 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.365 -14.411 -5.406 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.861 -15.584 -4.182 1.00 0.00 H new ATOM 458 N TRP A 29 -8.280 -5.768 -2.520 1.00 0.00 N ATOM 459 CA TRP A 29 -8.021 -4.533 -1.725 1.00 0.00 C ATOM 460 C TRP A 29 -7.472 -3.422 -2.665 1.00 0.00 C ATOM 461 O TRP A 29 -7.877 -3.370 -3.829 1.00 0.00 O ATOM 462 CB TRP A 29 -7.100 -4.831 -0.479 1.00 0.00 C ATOM 463 CG TRP A 29 -5.677 -5.286 -0.780 1.00 0.00 C ATOM 464 CD1 TRP A 29 -5.272 -6.544 -1.119 1.00 0.00 C ATOM 465 CD2 TRP A 29 -4.466 -4.491 -0.728 1.00 0.00 C ATOM 466 NE1 TRP A 29 -3.924 -6.572 -1.334 1.00 0.00 N ATOM 467 CE2 TRP A 29 -3.406 -5.333 -1.092 1.00 0.00 C ATOM 468 CE3 TRP A 29 -4.180 -3.151 -0.422 1.00 0.00 C ATOM 469 CZ2 TRP A 29 -2.096 -4.886 -1.167 1.00 0.00 C ATOM 470 CZ3 TRP A 29 -2.875 -2.709 -0.500 1.00 0.00 C ATOM 471 CH2 TRP A 29 -1.849 -3.576 -0.871 1.00 0.00 C ATOM 0 H TRP A 29 -7.462 -6.369 -2.619 1.00 0.00 H new ATOM 0 HA TRP A 29 -8.954 -4.163 -1.300 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -7.048 -3.929 0.131 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -7.583 -5.598 0.127 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.927 -7.399 -1.205 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -3.389 -7.389 -1.629 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -4.970 -2.475 -0.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.295 -5.553 -1.451 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -2.646 -1.679 -0.271 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.837 -3.204 -0.926 1.00 0.00 H new ATOM 482 N ASN A 30 -6.623 -2.509 -2.129 1.00 0.00 N ATOM 483 CA ASN A 30 -6.014 -1.343 -2.836 1.00 0.00 C ATOM 484 C ASN A 30 -7.017 -0.180 -2.834 1.00 0.00 C ATOM 485 O ASN A 30 -6.701 0.931 -2.394 1.00 0.00 O ATOM 486 CB ASN A 30 -5.476 -1.691 -4.265 1.00 0.00 C ATOM 487 CG ASN A 30 -4.928 -0.483 -5.032 1.00 0.00 C ATOM 488 OD1 ASN A 30 -3.759 -0.124 -4.897 1.00 0.00 O ATOM 489 ND2 ASN A 30 -5.764 0.128 -5.871 1.00 0.00 N ATOM 0 H ASN A 30 -6.329 -2.563 -1.154 1.00 0.00 H new ATOM 0 HA ASN A 30 -5.121 -1.037 -2.291 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -4.689 -2.439 -4.174 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -6.280 -2.143 -4.845 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.441 0.920 -6.426 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -6.727 -0.196 -5.958 1.00 0.00 H new ATOM 496 N ALA A 31 -8.228 -0.460 -3.324 1.00 0.00 N ATOM 497 CA ALA A 31 -9.398 0.367 -3.059 1.00 0.00 C ATOM 498 C ALA A 31 -10.028 -0.126 -1.746 1.00 0.00 C ATOM 499 O ALA A 31 -10.441 -1.287 -1.657 1.00 0.00 O ATOM 500 CB ALA A 31 -10.388 0.275 -4.230 1.00 0.00 C ATOM 0 H ALA A 31 -8.420 -1.268 -3.916 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.120 1.416 -2.959 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -11.258 0.897 -4.020 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.905 0.623 -5.143 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -10.704 -0.760 -4.358 1.00 0.00 H new ATOM 506 N ALA A 32 -10.013 0.728 -0.710 1.00 0.00 N ATOM 507 CA ALA A 32 -10.638 0.434 0.588 1.00 0.00 C ATOM 508 C ALA A 32 -12.165 0.508 0.454 1.00 0.00 C ATOM 509 O ALA A 32 -12.882 -0.435 0.787 1.00 0.00 O ATOM 510 CB ALA A 32 -10.130 1.425 1.651 1.00 0.00 C ATOM 0 H ALA A 32 -9.566 1.644 -0.750 1.00 0.00 H new ATOM 0 HA ALA A 32 -10.367 -0.573 0.904 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -10.597 1.201 2.610 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -9.048 1.335 1.745 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -10.385 2.442 1.352 1.00 0.00 H new ATOM 516 N SER A 33 -12.626 1.654 -0.062 1.00 0.00 N ATOM 517 CA SER A 33 -14.045 1.942 -0.295 1.00 0.00 C ATOM 518 C SER A 33 -14.659 0.985 -1.325 1.00 0.00 C ATOM 519 O SER A 33 -14.108 0.807 -2.417 1.00 0.00 O ATOM 520 CB SER A 33 -14.195 3.400 -0.755 1.00 0.00 C ATOM 521 OG SER A 33 -13.610 4.281 0.193 1.00 0.00 O ATOM 0 H SER A 33 -12.011 2.421 -0.334 1.00 0.00 H new ATOM 0 HA SER A 33 -14.586 1.794 0.640 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.718 3.532 -1.726 1.00 0.00 H new ATOM 0 HB3 SER A 33 -15.250 3.641 -0.882 1.00 0.00 H new ATOM 0 HG SER A 33 -13.712 5.206 -0.114 1.00 0.00 H new ATOM 527 N SER A 34 -15.815 0.398 -0.956 1.00 0.00 N ATOM 528 CA SER A 34 -16.544 -0.587 -1.777 1.00 0.00 C ATOM 529 C SER A 34 -17.234 0.060 -2.999 1.00 0.00 C ATOM 530 O SER A 34 -17.758 -0.653 -3.851 1.00 0.00 O ATOM 531 CB SER A 34 -17.572 -1.336 -0.886 1.00 0.00 C ATOM 532 OG SER A 34 -18.427 -0.428 -0.197 1.00 0.00 O ATOM 0 H SER A 34 -16.274 0.598 -0.067 1.00 0.00 H new ATOM 0 HA SER A 34 -15.821 -1.298 -2.177 1.00 0.00 H new ATOM 0 HB2 SER A 34 -18.172 -2.004 -1.504 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.044 -1.958 -0.164 1.00 0.00 H new ATOM 0 HG SER A 34 -19.063 -0.931 0.353 1.00 0.00 H new ATOM 538 N ASP A 35 -17.242 1.408 -3.056 1.00 0.00 N ATOM 539 CA ASP A 35 -17.726 2.183 -4.226 1.00 0.00 C ATOM 540 C ASP A 35 -16.731 2.098 -5.392 1.00 0.00 C ATOM 541 O ASP A 35 -17.094 2.319 -6.556 1.00 0.00 O ATOM 542 CB ASP A 35 -17.941 3.667 -3.845 1.00 0.00 C ATOM 543 CG ASP A 35 -19.000 3.848 -2.753 1.00 0.00 C ATOM 544 OD1 ASP A 35 -18.650 3.782 -1.557 1.00 0.00 O ATOM 545 OD2 ASP A 35 -20.192 4.039 -3.080 1.00 0.00 O ATOM 0 H ASP A 35 -16.912 1.995 -2.290 1.00 0.00 H new ATOM 0 HA ASP A 35 -18.676 1.749 -4.539 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -16.997 4.091 -3.504 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -18.240 4.226 -4.732 1.00 0.00 H new ATOM 550 N TRP A 36 -15.473 1.778 -5.058 1.00 0.00 N ATOM 551 CA TRP A 36 -14.364 1.648 -6.016 1.00 0.00 C ATOM 552 C TRP A 36 -13.773 0.238 -5.906 1.00 0.00 C ATOM 553 O TRP A 36 -14.120 -0.513 -4.991 1.00 0.00 O ATOM 554 CB TRP A 36 -13.284 2.738 -5.745 1.00 0.00 C ATOM 555 CG TRP A 36 -13.796 4.153 -5.952 1.00 0.00 C ATOM 556 CD1 TRP A 36 -14.517 4.911 -5.069 1.00 0.00 C ATOM 557 CD2 TRP A 36 -13.642 4.966 -7.128 1.00 0.00 C ATOM 558 NE1 TRP A 36 -14.839 6.116 -5.633 1.00 0.00 N ATOM 559 CE2 TRP A 36 -14.310 6.179 -6.891 1.00 0.00 C ATOM 560 CE3 TRP A 36 -13.008 4.781 -8.355 1.00 0.00 C ATOM 561 CZ2 TRP A 36 -14.363 7.200 -7.841 1.00 0.00 C ATOM 562 CZ3 TRP A 36 -13.060 5.787 -9.295 1.00 0.00 C ATOM 563 CH2 TRP A 36 -13.736 6.984 -9.036 1.00 0.00 C ATOM 0 H TRP A 36 -15.191 1.598 -4.094 1.00 0.00 H new ATOM 0 HA TRP A 36 -14.732 1.797 -7.031 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -12.923 2.635 -4.722 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -12.432 2.567 -6.403 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -14.792 4.603 -4.071 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -15.387 6.850 -5.185 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -12.483 3.861 -8.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -14.880 8.126 -7.639 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -12.571 5.649 -10.248 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -13.763 7.752 -9.795 1.00 0.00 H new ATOM 574 N HIS A 37 -12.885 -0.113 -6.847 1.00 0.00 N ATOM 575 CA HIS A 37 -12.246 -1.436 -6.925 1.00 0.00 C ATOM 576 C HIS A 37 -11.166 -1.408 -8.015 1.00 0.00 C ATOM 577 O HIS A 37 -11.349 -0.753 -9.043 1.00 0.00 O ATOM 578 CB HIS A 37 -13.274 -2.574 -7.222 1.00 0.00 C ATOM 579 CG HIS A 37 -13.948 -2.468 -8.567 1.00 0.00 C ATOM 580 ND1 HIS A 37 -13.704 -3.338 -9.607 1.00 0.00 N ATOM 581 CD2 HIS A 37 -14.850 -1.583 -9.035 1.00 0.00 C ATOM 582 CE1 HIS A 37 -14.422 -2.987 -10.645 1.00 0.00 C ATOM 583 NE2 HIS A 37 -15.127 -1.925 -10.328 1.00 0.00 N ATOM 0 H HIS A 37 -12.586 0.523 -7.586 1.00 0.00 H new ATOM 0 HA HIS A 37 -11.801 -1.652 -5.954 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -12.763 -3.535 -7.160 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -14.038 -2.569 -6.445 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -15.276 -0.755 -8.488 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -14.433 -3.487 -11.602 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -15.775 -1.436 -10.946 1.00 0.00 H new ATOM 592 N THR A 38 -10.056 -2.117 -7.796 1.00 0.00 N ATOM 593 CA THR A 38 -8.963 -2.195 -8.773 1.00 0.00 C ATOM 594 C THR A 38 -9.395 -3.077 -9.972 1.00 0.00 C ATOM 595 O THR A 38 -9.488 -4.303 -9.847 1.00 0.00 O ATOM 596 CB THR A 38 -7.668 -2.767 -8.112 1.00 0.00 C ATOM 597 OG1 THR A 38 -7.428 -2.092 -6.867 1.00 0.00 O ATOM 598 CG2 THR A 38 -6.430 -2.614 -9.021 1.00 0.00 C ATOM 0 H THR A 38 -9.888 -2.650 -6.943 1.00 0.00 H new ATOM 0 HA THR A 38 -8.741 -1.190 -9.132 1.00 0.00 H new ATOM 0 HB THR A 38 -7.828 -3.832 -7.947 1.00 0.00 H new ATOM 0 HG1 THR A 38 -8.004 -2.473 -6.172 1.00 0.00 H new ATOM 0 HG21 THR A 38 -5.556 -3.026 -8.517 1.00 0.00 H new ATOM 0 HG22 THR A 38 -6.596 -3.150 -9.956 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.262 -1.558 -9.233 1.00 0.00 H new ATOM 606 N THR A 39 -9.651 -2.435 -11.125 1.00 0.00 N ATOM 607 CA THR A 39 -10.151 -3.111 -12.342 1.00 0.00 C ATOM 608 C THR A 39 -8.993 -3.726 -13.137 1.00 0.00 C ATOM 609 O THR A 39 -9.177 -4.708 -13.863 1.00 0.00 O ATOM 610 CB THR A 39 -10.943 -2.106 -13.256 1.00 0.00 C ATOM 611 OG1 THR A 39 -11.503 -2.785 -14.394 1.00 0.00 O ATOM 612 CG2 THR A 39 -10.071 -0.929 -13.752 1.00 0.00 C ATOM 0 H THR A 39 -9.518 -1.431 -11.243 1.00 0.00 H new ATOM 0 HA THR A 39 -10.826 -3.906 -12.025 1.00 0.00 H new ATOM 0 HB THR A 39 -11.738 -1.696 -12.634 1.00 0.00 H new ATOM 0 HG1 THR A 39 -11.993 -2.143 -14.949 1.00 0.00 H new ATOM 0 HG21 THR A 39 -10.672 -0.269 -14.378 1.00 0.00 H new ATOM 0 HG22 THR A 39 -9.692 -0.371 -12.896 1.00 0.00 H new ATOM 0 HG23 THR A 39 -9.233 -1.316 -14.332 1.00 0.00 H new ATOM 620 N GLY A 40 -7.806 -3.146 -12.971 1.00 0.00 N ATOM 621 CA GLY A 40 -6.593 -3.606 -13.635 1.00 0.00 C ATOM 622 C GLY A 40 -5.372 -3.055 -12.934 1.00 0.00 C ATOM 623 O GLY A 40 -5.462 -1.999 -12.297 1.00 0.00 O ATOM 0 H GLY A 40 -7.660 -2.337 -12.367 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.561 -4.696 -13.635 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.597 -3.287 -14.677 1.00 0.00 H new ATOM 627 N SER A 41 -4.236 -3.750 -13.047 1.00 0.00 N ATOM 628 CA SER A 41 -2.995 -3.347 -12.379 1.00 0.00 C ATOM 629 C SER A 41 -1.777 -4.081 -12.952 1.00 0.00 C ATOM 630 O SER A 41 -1.787 -5.313 -13.049 1.00 0.00 O ATOM 631 CB SER A 41 -3.071 -3.584 -10.849 1.00 0.00 C ATOM 632 OG SER A 41 -1.868 -3.187 -10.197 1.00 0.00 O ATOM 0 H SER A 41 -4.151 -4.603 -13.600 1.00 0.00 H new ATOM 0 HA SER A 41 -2.876 -2.280 -12.565 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.911 -3.026 -10.435 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.261 -4.639 -10.653 1.00 0.00 H new ATOM 0 HG SER A 41 -2.056 -2.442 -9.588 1.00 0.00 H new ATOM 638 N ARG A 42 -0.733 -3.316 -13.333 1.00 0.00 N ATOM 639 CA ARG A 42 0.605 -3.880 -13.567 1.00 0.00 C ATOM 640 C ARG A 42 1.373 -3.838 -12.240 1.00 0.00 C ATOM 641 O ARG A 42 1.231 -2.877 -11.463 1.00 0.00 O ATOM 642 CB ARG A 42 1.404 -3.136 -14.675 1.00 0.00 C ATOM 643 CG ARG A 42 1.754 -1.654 -14.388 1.00 0.00 C ATOM 644 CD ARG A 42 3.030 -1.184 -15.120 1.00 0.00 C ATOM 645 NE ARG A 42 2.947 -1.349 -16.589 1.00 0.00 N ATOM 646 CZ ARG A 42 3.790 -2.085 -17.347 1.00 0.00 C ATOM 647 NH1 ARG A 42 4.790 -2.763 -16.789 1.00 0.00 N ATOM 648 NH2 ARG A 42 3.631 -2.126 -18.660 1.00 0.00 N ATOM 0 H ARG A 42 -0.794 -2.309 -13.484 1.00 0.00 H new ATOM 0 HA ARG A 42 0.485 -4.902 -13.926 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.332 -3.679 -14.851 1.00 0.00 H new ATOM 0 HB3 ARG A 42 0.829 -3.179 -15.600 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.917 -1.024 -14.688 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.887 -1.519 -13.315 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.210 -0.135 -14.887 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.886 -1.745 -14.744 1.00 0.00 H new ATOM 0 HE ARG A 42 2.189 -0.866 -17.070 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.927 -2.731 -15.779 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.420 -3.315 -17.372 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.873 -1.603 -19.099 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.266 -2.681 -19.234 1.00 0.00 H new ATOM 662 N VAL A 43 2.128 -4.907 -11.961 1.00 0.00 N ATOM 663 CA VAL A 43 2.973 -5.024 -10.763 1.00 0.00 C ATOM 664 C VAL A 43 4.321 -5.617 -11.201 1.00 0.00 C ATOM 665 O VAL A 43 4.396 -6.801 -11.524 1.00 0.00 O ATOM 666 CB VAL A 43 2.313 -5.949 -9.647 1.00 0.00 C ATOM 667 CG1 VAL A 43 3.227 -6.074 -8.398 1.00 0.00 C ATOM 668 CG2 VAL A 43 0.888 -5.461 -9.256 1.00 0.00 C ATOM 0 H VAL A 43 2.171 -5.726 -12.567 1.00 0.00 H new ATOM 0 HA VAL A 43 3.097 -4.036 -10.319 1.00 0.00 H new ATOM 0 HB VAL A 43 2.206 -6.943 -10.081 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.745 -6.712 -7.657 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.182 -6.512 -8.688 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.396 -5.086 -7.971 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.475 -6.120 -8.492 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.946 -4.445 -8.866 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.244 -5.476 -10.135 1.00 0.00 H new ATOM 678 N ASP A 44 5.363 -4.778 -11.288 1.00 0.00 N ATOM 679 CA ASP A 44 6.737 -5.219 -11.597 1.00 0.00 C ATOM 680 C ASP A 44 7.575 -5.038 -10.341 1.00 0.00 C ATOM 681 O ASP A 44 8.345 -4.074 -10.228 1.00 0.00 O ATOM 682 CB ASP A 44 7.335 -4.418 -12.790 1.00 0.00 C ATOM 683 CG ASP A 44 6.451 -4.466 -14.038 1.00 0.00 C ATOM 684 OD1 ASP A 44 5.542 -3.616 -14.169 1.00 0.00 O ATOM 685 OD2 ASP A 44 6.647 -5.351 -14.897 1.00 0.00 O ATOM 0 H ASP A 44 5.280 -3.771 -11.146 1.00 0.00 H new ATOM 0 HA ASP A 44 6.732 -6.266 -11.899 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.477 -3.380 -12.490 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.320 -4.817 -13.032 1.00 0.00 H new ATOM 690 N LEU A 45 7.354 -5.932 -9.361 1.00 0.00 N ATOM 691 CA LEU A 45 7.985 -5.850 -8.039 1.00 0.00 C ATOM 692 C LEU A 45 9.469 -6.263 -8.107 1.00 0.00 C ATOM 693 O LEU A 45 9.834 -7.405 -7.813 1.00 0.00 O ATOM 694 CB LEU A 45 7.203 -6.697 -7.001 1.00 0.00 C ATOM 695 CG LEU A 45 7.732 -6.623 -5.533 1.00 0.00 C ATOM 696 CD1 LEU A 45 7.705 -5.183 -5.000 1.00 0.00 C ATOM 697 CD2 LEU A 45 6.952 -7.569 -4.607 1.00 0.00 C ATOM 0 H LEU A 45 6.731 -6.732 -9.467 1.00 0.00 H new ATOM 0 HA LEU A 45 7.951 -4.812 -7.709 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.161 -6.378 -7.009 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.220 -7.739 -7.322 1.00 0.00 H new ATOM 0 HG LEU A 45 8.771 -6.953 -5.545 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.079 -5.167 -3.976 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.335 -4.551 -5.627 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.682 -4.807 -5.018 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.346 -7.493 -3.593 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.898 -7.292 -4.609 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.058 -8.594 -4.961 1.00 0.00 H new ATOM 709 N VAL A 46 10.284 -5.324 -8.600 1.00 0.00 N ATOM 710 CA VAL A 46 11.748 -5.408 -8.685 1.00 0.00 C ATOM 711 C VAL A 46 12.321 -4.001 -8.443 1.00 0.00 C ATOM 712 O VAL A 46 11.581 -3.005 -8.486 1.00 0.00 O ATOM 713 CB VAL A 46 12.247 -5.966 -10.082 1.00 0.00 C ATOM 714 CG1 VAL A 46 11.958 -7.477 -10.242 1.00 0.00 C ATOM 715 CG2 VAL A 46 11.631 -5.163 -11.249 1.00 0.00 C ATOM 0 H VAL A 46 9.925 -4.443 -8.968 1.00 0.00 H new ATOM 0 HA VAL A 46 12.099 -6.111 -7.929 1.00 0.00 H new ATOM 0 HB VAL A 46 13.329 -5.840 -10.109 1.00 0.00 H new ATOM 0 HG11 VAL A 46 12.317 -7.815 -11.214 1.00 0.00 H new ATOM 0 HG12 VAL A 46 12.468 -8.031 -9.454 1.00 0.00 H new ATOM 0 HG13 VAL A 46 10.884 -7.652 -10.171 1.00 0.00 H new ATOM 0 HG21 VAL A 46 11.989 -5.566 -12.197 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.544 -5.239 -11.210 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.924 -4.117 -11.165 1.00 0.00 H new ATOM 725 N VAL A 47 13.637 -3.923 -8.200 1.00 0.00 N ATOM 726 CA VAL A 47 14.340 -2.642 -8.020 1.00 0.00 C ATOM 727 C VAL A 47 14.485 -1.940 -9.390 1.00 0.00 C ATOM 728 O VAL A 47 15.284 -2.358 -10.235 1.00 0.00 O ATOM 729 CB VAL A 47 15.750 -2.837 -7.346 1.00 0.00 C ATOM 730 CG1 VAL A 47 16.456 -1.471 -7.117 1.00 0.00 C ATOM 731 CG2 VAL A 47 15.624 -3.645 -6.023 1.00 0.00 C ATOM 0 H VAL A 47 14.242 -4.740 -8.123 1.00 0.00 H new ATOM 0 HA VAL A 47 13.749 -2.018 -7.349 1.00 0.00 H new ATOM 0 HB VAL A 47 16.374 -3.415 -8.028 1.00 0.00 H new ATOM 0 HG11 VAL A 47 17.427 -1.637 -6.650 1.00 0.00 H new ATOM 0 HG12 VAL A 47 16.594 -0.968 -8.074 1.00 0.00 H new ATOM 0 HG13 VAL A 47 15.842 -0.849 -6.466 1.00 0.00 H new ATOM 0 HG21 VAL A 47 16.611 -3.767 -5.576 1.00 0.00 H new ATOM 0 HG22 VAL A 47 14.975 -3.109 -5.330 1.00 0.00 H new ATOM 0 HG23 VAL A 47 15.198 -4.626 -6.235 1.00 0.00 H new ATOM 741 N GLY A 48 13.668 -0.903 -9.593 1.00 0.00 N ATOM 742 CA GLY A 48 13.609 -0.163 -10.856 1.00 0.00 C ATOM 743 C GLY A 48 12.362 -0.497 -11.667 1.00 0.00 C ATOM 744 O GLY A 48 12.132 0.097 -12.727 1.00 0.00 O ATOM 0 H GLY A 48 13.026 -0.552 -8.882 1.00 0.00 H new ATOM 0 HA2 GLY A 48 13.628 0.907 -10.648 1.00 0.00 H new ATOM 0 HA3 GLY A 48 14.496 -0.389 -11.448 1.00 0.00 H new ATOM 748 N GLY A 49 11.559 -1.454 -11.163 1.00 0.00 N ATOM 749 CA GLY A 49 10.315 -1.866 -11.813 1.00 0.00 C ATOM 750 C GLY A 49 9.154 -0.977 -11.441 1.00 0.00 C ATOM 751 O GLY A 49 9.085 -0.489 -10.319 1.00 0.00 O ATOM 0 H GLY A 49 11.759 -1.956 -10.298 1.00 0.00 H new ATOM 0 HA2 GLY A 49 10.450 -1.850 -12.894 1.00 0.00 H new ATOM 0 HA3 GLY A 49 10.086 -2.895 -11.535 1.00 0.00 H new ATOM 755 N ARG A 50 8.228 -0.786 -12.385 1.00 0.00 N ATOM 756 CA ARG A 50 7.105 0.158 -12.238 1.00 0.00 C ATOM 757 C ARG A 50 5.831 -0.602 -11.835 1.00 0.00 C ATOM 758 O ARG A 50 5.787 -1.828 -11.870 1.00 0.00 O ATOM 759 CB ARG A 50 6.868 0.968 -13.556 1.00 0.00 C ATOM 760 CG ARG A 50 7.972 2.005 -13.929 1.00 0.00 C ATOM 761 CD ARG A 50 9.318 1.378 -14.356 1.00 0.00 C ATOM 762 NE ARG A 50 10.339 2.394 -14.689 1.00 0.00 N ATOM 763 CZ ARG A 50 11.538 2.141 -15.257 1.00 0.00 C ATOM 764 NH1 ARG A 50 11.905 0.907 -15.584 1.00 0.00 N ATOM 765 NH2 ARG A 50 12.364 3.140 -15.507 1.00 0.00 N ATOM 0 H ARG A 50 8.232 -1.281 -13.277 1.00 0.00 H new ATOM 0 HA ARG A 50 7.357 0.871 -11.453 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.768 0.262 -14.380 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.917 1.494 -13.470 1.00 0.00 H new ATOM 0 HG2 ARG A 50 7.604 2.633 -14.740 1.00 0.00 H new ATOM 0 HG3 ARG A 50 8.144 2.658 -13.073 1.00 0.00 H new ATOM 0 HD2 ARG A 50 9.691 0.744 -13.551 1.00 0.00 H new ATOM 0 HD3 ARG A 50 9.156 0.734 -15.220 1.00 0.00 H new ATOM 0 HE ARG A 50 10.120 3.366 -14.472 1.00 0.00 H new ATOM 0 HH11 ARG A 50 11.276 0.124 -15.407 1.00 0.00 H new ATOM 0 HH12 ARG A 50 12.816 0.742 -16.012 1.00 0.00 H new ATOM 0 HH21 ARG A 50 12.095 4.095 -15.271 1.00 0.00 H new ATOM 0 HH22 ARG A 50 13.271 2.957 -15.936 1.00 0.00 H new ATOM 779 N PHE A 51 4.804 0.144 -11.422 1.00 0.00 N ATOM 780 CA PHE A 51 3.474 -0.410 -11.141 1.00 0.00 C ATOM 781 C PHE A 51 2.413 0.672 -11.364 1.00 0.00 C ATOM 782 O PHE A 51 2.710 1.872 -11.304 1.00 0.00 O ATOM 783 CB PHE A 51 3.387 -0.981 -9.698 1.00 0.00 C ATOM 784 CG PHE A 51 3.466 0.068 -8.588 1.00 0.00 C ATOM 785 CD1 PHE A 51 4.692 0.558 -8.146 1.00 0.00 C ATOM 786 CD2 PHE A 51 2.310 0.568 -7.998 1.00 0.00 C ATOM 787 CE1 PHE A 51 4.754 1.506 -7.153 1.00 0.00 C ATOM 788 CE2 PHE A 51 2.373 1.515 -7.005 1.00 0.00 C ATOM 789 CZ PHE A 51 3.592 1.988 -6.583 1.00 0.00 C ATOM 0 H PHE A 51 4.869 1.151 -11.272 1.00 0.00 H new ATOM 0 HA PHE A 51 3.292 -1.239 -11.825 1.00 0.00 H new ATOM 0 HB2 PHE A 51 2.450 -1.529 -9.595 1.00 0.00 H new ATOM 0 HB3 PHE A 51 4.194 -1.700 -9.557 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.605 0.189 -8.589 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.347 0.206 -8.326 1.00 0.00 H new ATOM 0 HE1 PHE A 51 5.712 1.874 -6.818 1.00 0.00 H new ATOM 0 HE2 PHE A 51 1.464 1.888 -6.556 1.00 0.00 H new ATOM 0 HZ PHE A 51 3.642 2.736 -5.806 1.00 0.00 H new ATOM 799 N CYS A 52 1.175 0.227 -11.595 1.00 0.00 N ATOM 800 CA CYS A 52 0.013 1.099 -11.821 1.00 0.00 C ATOM 801 C CYS A 52 -1.232 0.341 -11.362 1.00 0.00 C ATOM 802 O CYS A 52 -1.418 -0.797 -11.777 1.00 0.00 O ATOM 803 CB CYS A 52 -0.100 1.457 -13.323 1.00 0.00 C ATOM 804 SG CYS A 52 1.407 2.158 -14.038 1.00 0.00 S ATOM 0 H CYS A 52 0.945 -0.766 -11.631 1.00 0.00 H new ATOM 0 HA CYS A 52 0.119 2.029 -11.262 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -0.368 0.559 -13.879 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -0.915 2.168 -13.454 1.00 0.00 H new ATOM 0 HG CYS A 52 2.285 2.348 -13.099 1.00 0.00 H new ATOM 810 N HIS A 53 -2.061 0.945 -10.491 1.00 0.00 N ATOM 811 CA HIS A 53 -3.297 0.316 -9.977 1.00 0.00 C ATOM 812 C HIS A 53 -4.512 1.127 -10.451 1.00 0.00 C ATOM 813 O HIS A 53 -4.865 2.129 -9.816 1.00 0.00 O ATOM 814 CB HIS A 53 -3.298 0.245 -8.420 1.00 0.00 C ATOM 815 CG HIS A 53 -2.085 -0.402 -7.795 1.00 0.00 C ATOM 816 ND1 HIS A 53 -1.802 -1.740 -7.907 1.00 0.00 N ATOM 817 CD2 HIS A 53 -1.090 0.118 -7.039 1.00 0.00 C ATOM 818 CE1 HIS A 53 -0.692 -2.020 -7.253 1.00 0.00 C ATOM 819 NE2 HIS A 53 -0.239 -0.910 -6.714 1.00 0.00 N ATOM 0 H HIS A 53 -1.895 1.882 -10.123 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.346 -0.703 -10.362 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -3.390 1.258 -8.028 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -4.185 -0.302 -8.100 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -0.985 1.152 -6.745 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -0.233 -2.995 -7.174 1.00 0.00 H new ATOM 0 HE2 HIS A 53 0.605 -0.826 -6.148 1.00 0.00 H new ATOM 828 N HIS A 54 -5.127 0.719 -11.576 1.00 0.00 N ATOM 829 CA HIS A 54 -6.348 1.371 -12.089 1.00 0.00 C ATOM 830 C HIS A 54 -7.510 1.096 -11.120 1.00 0.00 C ATOM 831 O HIS A 54 -8.061 -0.006 -11.088 1.00 0.00 O ATOM 832 CB HIS A 54 -6.699 0.881 -13.524 1.00 0.00 C ATOM 833 CG HIS A 54 -5.789 1.388 -14.615 1.00 0.00 C ATOM 834 ND1 HIS A 54 -4.419 1.454 -14.494 1.00 0.00 N ATOM 835 CD2 HIS A 54 -6.067 1.834 -15.865 1.00 0.00 C ATOM 836 CE1 HIS A 54 -3.902 1.906 -15.617 1.00 0.00 C ATOM 837 NE2 HIS A 54 -4.876 2.146 -16.459 1.00 0.00 N ATOM 0 H HIS A 54 -4.799 -0.059 -12.148 1.00 0.00 H new ATOM 0 HA HIS A 54 -6.171 2.445 -12.153 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -6.680 -0.209 -13.534 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -7.720 1.184 -13.755 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -7.047 1.926 -16.309 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -2.850 2.054 -15.812 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -4.764 2.508 -17.406 1.00 0.00 H new ATOM 846 N MET A 55 -7.823 2.109 -10.311 1.00 0.00 N ATOM 847 CA MET A 55 -8.883 2.054 -9.299 1.00 0.00 C ATOM 848 C MET A 55 -10.146 2.680 -9.901 1.00 0.00 C ATOM 849 O MET A 55 -10.254 3.897 -10.005 1.00 0.00 O ATOM 850 CB MET A 55 -8.438 2.800 -8.012 1.00 0.00 C ATOM 851 CG MET A 55 -9.489 2.851 -6.900 1.00 0.00 C ATOM 852 SD MET A 55 -8.988 3.910 -5.523 1.00 0.00 S ATOM 853 CE MET A 55 -7.460 3.144 -4.975 1.00 0.00 C ATOM 0 H MET A 55 -7.340 3.007 -10.340 1.00 0.00 H new ATOM 0 HA MET A 55 -9.090 1.022 -9.016 1.00 0.00 H new ATOM 0 HB2 MET A 55 -7.541 2.319 -7.622 1.00 0.00 H new ATOM 0 HB3 MET A 55 -8.162 3.820 -8.278 1.00 0.00 H new ATOM 0 HG2 MET A 55 -10.431 3.215 -7.311 1.00 0.00 H new ATOM 0 HG3 MET A 55 -9.672 1.842 -6.530 1.00 0.00 H new ATOM 0 HE1 MET A 55 -7.167 3.565 -4.013 1.00 0.00 H new ATOM 0 HE2 MET A 55 -7.609 2.069 -4.871 1.00 0.00 H new ATOM 0 HE3 MET A 55 -6.675 3.332 -5.708 1.00 0.00 H new ATOM 863 N ALA A 56 -11.090 1.821 -10.289 1.00 0.00 N ATOM 864 CA ALA A 56 -12.306 2.201 -11.027 1.00 0.00 C ATOM 865 C ALA A 56 -13.540 1.937 -10.166 1.00 0.00 C ATOM 866 O ALA A 56 -13.488 1.115 -9.261 1.00 0.00 O ATOM 867 CB ALA A 56 -12.384 1.418 -12.333 1.00 0.00 C ATOM 0 H ALA A 56 -11.034 0.821 -10.097 1.00 0.00 H new ATOM 0 HA ALA A 56 -12.269 3.265 -11.262 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.286 1.703 -12.875 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -11.508 1.640 -12.943 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -12.414 0.350 -12.116 1.00 0.00 H new ATOM 873 N ALA A 57 -14.643 2.637 -10.442 1.00 0.00 N ATOM 874 CA ALA A 57 -15.885 2.509 -9.656 1.00 0.00 C ATOM 875 C ALA A 57 -16.701 1.271 -10.095 1.00 0.00 C ATOM 876 O ALA A 57 -16.422 0.676 -11.149 1.00 0.00 O ATOM 877 CB ALA A 57 -16.700 3.805 -9.750 1.00 0.00 C ATOM 0 H ALA A 57 -14.707 3.305 -11.210 1.00 0.00 H new ATOM 0 HA ALA A 57 -15.626 2.353 -8.609 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -17.615 3.702 -9.167 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -16.111 4.634 -9.358 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -16.953 4.001 -10.792 1.00 0.00 H new ATOM 883 N LYS A 58 -17.693 0.882 -9.267 1.00 0.00 N ATOM 884 CA LYS A 58 -18.474 -0.367 -9.454 1.00 0.00 C ATOM 885 C LYS A 58 -19.363 -0.288 -10.710 1.00 0.00 C ATOM 886 O LYS A 58 -19.230 -1.107 -11.621 1.00 0.00 O ATOM 887 CB LYS A 58 -19.334 -0.639 -8.190 1.00 0.00 C ATOM 888 CG LYS A 58 -18.521 -0.766 -6.882 1.00 0.00 C ATOM 889 CD LYS A 58 -17.622 -2.034 -6.814 1.00 0.00 C ATOM 890 CE LYS A 58 -18.431 -3.335 -6.677 1.00 0.00 C ATOM 891 NZ LYS A 58 -19.218 -3.379 -5.414 1.00 0.00 N ATOM 0 H LYS A 58 -17.978 1.422 -8.450 1.00 0.00 H new ATOM 0 HA LYS A 58 -17.777 -1.193 -9.598 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -20.058 0.168 -8.077 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -19.901 -1.557 -8.342 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -17.893 0.118 -6.770 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -19.210 -0.777 -6.038 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -17.008 -2.087 -7.713 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -16.941 -1.945 -5.968 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -19.106 -3.432 -7.527 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -17.753 -4.188 -6.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -19.596 -4.338 -5.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -18.604 -3.128 -4.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -20.005 -2.702 -5.472 1.00 0.00 H new ATOM 905 N ASP A 59 -20.249 0.713 -10.758 1.00 0.00 N ATOM 906 CA ASP A 59 -21.086 0.990 -11.948 1.00 0.00 C ATOM 907 C ASP A 59 -20.541 2.213 -12.706 1.00 0.00 C ATOM 908 O ASP A 59 -20.915 2.458 -13.856 1.00 0.00 O ATOM 909 CB ASP A 59 -22.572 1.215 -11.561 1.00 0.00 C ATOM 910 CG ASP A 59 -22.822 2.511 -10.761 1.00 0.00 C ATOM 911 OD1 ASP A 59 -22.543 2.536 -9.541 1.00 0.00 O ATOM 912 OD2 ASP A 59 -23.301 3.504 -11.345 1.00 0.00 O ATOM 0 H ASP A 59 -20.411 1.355 -9.982 1.00 0.00 H new ATOM 0 HA ASP A 59 -21.042 0.116 -12.598 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -23.174 1.239 -12.469 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -22.917 0.365 -10.973 1.00 0.00 H new ATOM 917 N GLY A 60 -19.660 2.979 -12.040 1.00 0.00 N ATOM 918 CA GLY A 60 -19.056 4.170 -12.619 1.00 0.00 C ATOM 919 C GLY A 60 -17.797 3.845 -13.399 1.00 0.00 C ATOM 920 O GLY A 60 -16.923 3.138 -12.897 1.00 0.00 O ATOM 0 H GLY A 60 -19.353 2.782 -11.087 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -19.775 4.658 -13.277 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -18.818 4.879 -11.826 1.00 0.00 H new ATOM 924 N SER A 61 -17.702 4.376 -14.618 1.00 0.00 N ATOM 925 CA SER A 61 -16.565 4.132 -15.529 1.00 0.00 C ATOM 926 C SER A 61 -15.383 5.095 -15.254 1.00 0.00 C ATOM 927 O SER A 61 -14.391 5.092 -15.999 1.00 0.00 O ATOM 928 CB SER A 61 -17.043 4.238 -16.992 1.00 0.00 C ATOM 929 OG SER A 61 -18.127 3.355 -17.252 1.00 0.00 O ATOM 0 H SER A 61 -18.413 4.993 -15.011 1.00 0.00 H new ATOM 0 HA SER A 61 -16.192 3.124 -15.347 1.00 0.00 H new ATOM 0 HB2 SER A 61 -17.349 5.263 -17.202 1.00 0.00 H new ATOM 0 HB3 SER A 61 -16.216 4.008 -17.664 1.00 0.00 H new ATOM 0 HG SER A 61 -18.407 3.448 -18.186 1.00 0.00 H new ATOM 935 N ALA A 62 -15.493 5.916 -14.185 1.00 0.00 N ATOM 936 CA ALA A 62 -14.383 6.759 -13.696 1.00 0.00 C ATOM 937 C ALA A 62 -13.312 5.880 -13.035 1.00 0.00 C ATOM 938 O ALA A 62 -13.626 4.803 -12.502 1.00 0.00 O ATOM 939 CB ALA A 62 -14.891 7.837 -12.725 1.00 0.00 C ATOM 0 H ALA A 62 -16.350 6.011 -13.641 1.00 0.00 H new ATOM 0 HA ALA A 62 -13.936 7.273 -14.547 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -14.052 8.442 -12.382 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -15.613 8.475 -13.235 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -15.368 7.360 -11.869 1.00 0.00 H new ATOM 945 N GLY A 63 -12.055 6.351 -13.057 1.00 0.00 N ATOM 946 CA GLY A 63 -10.920 5.555 -12.599 1.00 0.00 C ATOM 947 C GLY A 63 -9.698 6.403 -12.269 1.00 0.00 C ATOM 948 O GLY A 63 -9.172 7.103 -13.143 1.00 0.00 O ATOM 0 H GLY A 63 -11.805 7.282 -13.389 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.213 4.988 -11.715 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.656 4.830 -13.369 1.00 0.00 H new ATOM 952 N PHE A 64 -9.275 6.370 -10.998 1.00 0.00 N ATOM 953 CA PHE A 64 -8.025 6.993 -10.528 1.00 0.00 C ATOM 954 C PHE A 64 -6.912 5.933 -10.520 1.00 0.00 C ATOM 955 O PHE A 64 -7.023 4.932 -9.813 1.00 0.00 O ATOM 956 CB PHE A 64 -8.203 7.571 -9.098 1.00 0.00 C ATOM 957 CG PHE A 64 -9.202 8.726 -8.992 1.00 0.00 C ATOM 958 CD1 PHE A 64 -8.833 10.018 -9.359 1.00 0.00 C ATOM 959 CD2 PHE A 64 -10.498 8.527 -8.514 1.00 0.00 C ATOM 960 CE1 PHE A 64 -9.722 11.074 -9.253 1.00 0.00 C ATOM 961 CE2 PHE A 64 -11.386 9.582 -8.410 1.00 0.00 C ATOM 962 CZ PHE A 64 -10.999 10.855 -8.779 1.00 0.00 C ATOM 0 H PHE A 64 -9.797 5.904 -10.256 1.00 0.00 H new ATOM 0 HA PHE A 64 -7.761 7.811 -11.199 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -8.525 6.768 -8.435 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -7.233 7.914 -8.736 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -7.836 10.199 -9.733 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -10.812 7.536 -8.221 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -9.416 12.069 -9.541 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -12.385 9.410 -8.039 1.00 0.00 H new ATOM 0 HZ PHE A 64 -11.694 11.677 -8.697 1.00 0.00 H new ATOM 972 N ASP A 65 -5.853 6.143 -11.306 1.00 0.00 N ATOM 973 CA ASP A 65 -4.727 5.190 -11.403 1.00 0.00 C ATOM 974 C ASP A 65 -3.627 5.547 -10.374 1.00 0.00 C ATOM 975 O ASP A 65 -3.204 6.705 -10.283 1.00 0.00 O ATOM 976 CB ASP A 65 -4.175 5.184 -12.854 1.00 0.00 C ATOM 977 CG ASP A 65 -3.053 4.162 -13.132 1.00 0.00 C ATOM 978 OD1 ASP A 65 -2.953 3.128 -12.434 1.00 0.00 O ATOM 979 OD2 ASP A 65 -2.301 4.364 -14.107 1.00 0.00 O ATOM 0 H ASP A 65 -5.745 6.971 -11.892 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.078 4.185 -11.167 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -5.001 4.986 -13.538 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -3.801 6.181 -13.086 1.00 0.00 H new ATOM 984 N PHE A 66 -3.183 4.533 -9.607 1.00 0.00 N ATOM 985 CA PHE A 66 -2.144 4.673 -8.572 1.00 0.00 C ATOM 986 C PHE A 66 -0.815 4.154 -9.154 1.00 0.00 C ATOM 987 O PHE A 66 -0.499 2.957 -9.060 1.00 0.00 O ATOM 988 CB PHE A 66 -2.552 3.890 -7.284 1.00 0.00 C ATOM 989 CG PHE A 66 -1.670 4.154 -6.043 1.00 0.00 C ATOM 990 CD1 PHE A 66 -0.466 3.471 -5.843 1.00 0.00 C ATOM 991 CD2 PHE A 66 -2.055 5.080 -5.074 1.00 0.00 C ATOM 992 CE1 PHE A 66 0.318 3.701 -4.728 1.00 0.00 C ATOM 993 CE2 PHE A 66 -1.270 5.309 -3.957 1.00 0.00 C ATOM 994 CZ PHE A 66 -0.083 4.621 -3.786 1.00 0.00 C ATOM 0 H PHE A 66 -3.541 3.582 -9.691 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.027 5.718 -8.286 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.583 4.142 -7.037 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.529 2.823 -7.505 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.141 2.748 -6.576 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.979 5.626 -5.197 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.243 3.160 -4.596 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.586 6.028 -3.216 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.528 4.805 -2.915 1.00 0.00 H new ATOM 1004 N THR A 67 -0.076 5.057 -9.806 1.00 0.00 N ATOM 1005 CA THR A 67 1.192 4.737 -10.479 1.00 0.00 C ATOM 1006 C THR A 67 2.391 4.835 -9.515 1.00 0.00 C ATOM 1007 O THR A 67 2.256 5.288 -8.372 1.00 0.00 O ATOM 1008 CB THR A 67 1.397 5.684 -11.715 1.00 0.00 C ATOM 1009 OG1 THR A 67 1.015 7.026 -11.381 1.00 0.00 O ATOM 1010 CG2 THR A 67 0.592 5.236 -12.933 1.00 0.00 C ATOM 0 H THR A 67 -0.341 6.039 -9.884 1.00 0.00 H new ATOM 0 HA THR A 67 1.138 3.705 -10.825 1.00 0.00 H new ATOM 0 HB THR A 67 2.456 5.639 -11.970 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.840 7.531 -12.203 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.769 5.924 -13.759 1.00 0.00 H new ATOM 0 HG22 THR A 67 0.901 4.232 -13.224 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.470 5.231 -12.686 1.00 0.00 H new ATOM 1018 N GLY A 68 3.561 4.382 -10.000 1.00 0.00 N ATOM 1019 CA GLY A 68 4.809 4.479 -9.253 1.00 0.00 C ATOM 1020 C GLY A 68 5.900 3.573 -9.792 1.00 0.00 C ATOM 1021 O GLY A 68 5.717 2.894 -10.804 1.00 0.00 O ATOM 0 H GLY A 68 3.659 3.943 -10.915 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.159 5.511 -9.275 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.620 4.229 -8.209 1.00 0.00 H new ATOM 1025 N THR A 69 7.052 3.581 -9.112 1.00 0.00 N ATOM 1026 CA THR A 69 8.194 2.716 -9.407 1.00 0.00 C ATOM 1027 C THR A 69 8.848 2.288 -8.084 1.00 0.00 C ATOM 1028 O THR A 69 9.177 3.147 -7.252 1.00 0.00 O ATOM 1029 CB THR A 69 9.245 3.469 -10.299 1.00 0.00 C ATOM 1030 OG1 THR A 69 8.608 4.009 -11.468 1.00 0.00 O ATOM 1031 CG2 THR A 69 10.413 2.558 -10.729 1.00 0.00 C ATOM 0 H THR A 69 7.217 4.205 -8.323 1.00 0.00 H new ATOM 0 HA THR A 69 7.847 1.840 -9.954 1.00 0.00 H new ATOM 0 HB THR A 69 9.657 4.274 -9.691 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.272 4.477 -12.016 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.111 3.127 -11.343 1.00 0.00 H new ATOM 0 HG22 THR A 69 10.929 2.186 -9.844 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.026 1.717 -11.304 1.00 0.00 H new ATOM 1039 N PHE A 70 9.013 0.965 -7.890 1.00 0.00 N ATOM 1040 CA PHE A 70 9.681 0.389 -6.719 1.00 0.00 C ATOM 1041 C PHE A 70 11.170 0.774 -6.719 1.00 0.00 C ATOM 1042 O PHE A 70 11.926 0.355 -7.597 1.00 0.00 O ATOM 1043 CB PHE A 70 9.510 -1.149 -6.697 1.00 0.00 C ATOM 1044 CG PHE A 70 8.054 -1.628 -6.696 1.00 0.00 C ATOM 1045 CD1 PHE A 70 7.265 -1.517 -5.554 1.00 0.00 C ATOM 1046 CD2 PHE A 70 7.478 -2.198 -7.832 1.00 0.00 C ATOM 1047 CE1 PHE A 70 5.955 -1.961 -5.543 1.00 0.00 C ATOM 1048 CE2 PHE A 70 6.168 -2.646 -7.822 1.00 0.00 C ATOM 1049 CZ PHE A 70 5.406 -2.527 -6.676 1.00 0.00 C ATOM 0 H PHE A 70 8.681 0.264 -8.552 1.00 0.00 H new ATOM 0 HA PHE A 70 9.219 0.792 -5.818 1.00 0.00 H new ATOM 0 HB2 PHE A 70 10.017 -1.570 -7.565 1.00 0.00 H new ATOM 0 HB3 PHE A 70 10.010 -1.545 -5.813 1.00 0.00 H new ATOM 0 HD1 PHE A 70 7.683 -1.076 -4.661 1.00 0.00 H new ATOM 0 HD2 PHE A 70 8.064 -2.291 -8.734 1.00 0.00 H new ATOM 0 HE1 PHE A 70 5.361 -1.865 -4.646 1.00 0.00 H new ATOM 0 HE2 PHE A 70 5.742 -3.089 -8.710 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.384 -2.876 -6.666 1.00 0.00 H new ATOM 1059 N THR A 71 11.557 1.596 -5.740 1.00 0.00 N ATOM 1060 CA THR A 71 12.923 2.119 -5.615 1.00 0.00 C ATOM 1061 C THR A 71 13.820 1.122 -4.870 1.00 0.00 C ATOM 1062 O THR A 71 15.031 1.057 -5.113 1.00 0.00 O ATOM 1063 CB THR A 71 12.912 3.495 -4.873 1.00 0.00 C ATOM 1064 OG1 THR A 71 12.254 3.367 -3.597 1.00 0.00 O ATOM 1065 CG2 THR A 71 12.194 4.571 -5.693 1.00 0.00 C ATOM 0 H THR A 71 10.928 1.921 -5.006 1.00 0.00 H new ATOM 0 HA THR A 71 13.327 2.263 -6.617 1.00 0.00 H new ATOM 0 HB THR A 71 13.950 3.796 -4.732 1.00 0.00 H new ATOM 0 HG1 THR A 71 12.112 4.257 -3.212 1.00 0.00 H new ATOM 0 HG21 THR A 71 12.206 5.514 -5.146 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.702 4.700 -6.649 1.00 0.00 H new ATOM 0 HG23 THR A 71 11.162 4.267 -5.869 1.00 0.00 H new ATOM 1073 N ARG A 72 13.208 0.339 -3.972 1.00 0.00 N ATOM 1074 CA ARG A 72 13.920 -0.636 -3.144 1.00 0.00 C ATOM 1075 C ARG A 72 12.927 -1.674 -2.619 1.00 0.00 C ATOM 1076 O ARG A 72 11.911 -1.314 -2.028 1.00 0.00 O ATOM 1077 CB ARG A 72 14.623 0.090 -1.969 1.00 0.00 C ATOM 1078 CG ARG A 72 15.487 -0.813 -1.071 1.00 0.00 C ATOM 1079 CD ARG A 72 16.203 -0.016 0.024 1.00 0.00 C ATOM 1080 NE ARG A 72 17.026 1.078 -0.538 1.00 0.00 N ATOM 1081 CZ ARG A 72 17.311 2.242 0.077 1.00 0.00 C ATOM 1082 NH1 ARG A 72 16.841 2.505 1.297 1.00 0.00 N ATOM 1083 NH2 ARG A 72 18.039 3.152 -0.556 1.00 0.00 N ATOM 0 H ARG A 72 12.203 0.366 -3.801 1.00 0.00 H new ATOM 0 HA ARG A 72 14.679 -1.143 -3.740 1.00 0.00 H new ATOM 0 HB2 ARG A 72 15.252 0.882 -2.375 1.00 0.00 H new ATOM 0 HB3 ARG A 72 13.864 0.571 -1.352 1.00 0.00 H new ATOM 0 HG2 ARG A 72 14.858 -1.576 -0.612 1.00 0.00 H new ATOM 0 HG3 ARG A 72 16.225 -1.333 -1.682 1.00 0.00 H new ATOM 0 HD2 ARG A 72 15.466 0.400 0.711 1.00 0.00 H new ATOM 0 HD3 ARG A 72 16.837 -0.686 0.605 1.00 0.00 H new ATOM 0 HE ARG A 72 17.411 0.938 -1.472 1.00 0.00 H new ATOM 0 HH11 ARG A 72 16.257 1.820 1.777 1.00 0.00 H new ATOM 0 HH12 ARG A 72 17.065 3.391 1.750 1.00 0.00 H new ATOM 0 HH21 ARG A 72 18.378 2.967 -1.500 1.00 0.00 H new ATOM 0 HH22 ARG A 72 18.260 4.037 -0.099 1.00 0.00 H new ATOM 1097 N VAL A 73 13.214 -2.960 -2.848 1.00 0.00 N ATOM 1098 CA VAL A 73 12.378 -4.064 -2.355 1.00 0.00 C ATOM 1099 C VAL A 73 13.192 -4.867 -1.331 1.00 0.00 C ATOM 1100 O VAL A 73 14.071 -5.649 -1.707 1.00 0.00 O ATOM 1101 CB VAL A 73 11.884 -5.006 -3.517 1.00 0.00 C ATOM 1102 CG1 VAL A 73 10.864 -6.047 -2.986 1.00 0.00 C ATOM 1103 CG2 VAL A 73 11.308 -4.187 -4.702 1.00 0.00 C ATOM 0 H VAL A 73 14.030 -3.266 -3.379 1.00 0.00 H new ATOM 0 HA VAL A 73 11.485 -3.643 -1.893 1.00 0.00 H new ATOM 0 HB VAL A 73 12.746 -5.554 -3.898 1.00 0.00 H new ATOM 0 HG11 VAL A 73 10.537 -6.687 -3.806 1.00 0.00 H new ATOM 0 HG12 VAL A 73 11.335 -6.657 -2.215 1.00 0.00 H new ATOM 0 HG13 VAL A 73 10.003 -5.530 -2.563 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.976 -4.867 -5.487 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.463 -3.592 -4.356 1.00 0.00 H new ATOM 0 HG23 VAL A 73 12.080 -3.526 -5.097 1.00 0.00 H new ATOM 1113 N GLU A 74 12.923 -4.632 -0.038 1.00 0.00 N ATOM 1114 CA GLU A 74 13.597 -5.327 1.069 1.00 0.00 C ATOM 1115 C GLU A 74 12.569 -6.289 1.686 1.00 0.00 C ATOM 1116 O GLU A 74 12.048 -6.074 2.778 1.00 0.00 O ATOM 1117 CB GLU A 74 14.181 -4.281 2.075 1.00 0.00 C ATOM 1118 CG GLU A 74 15.213 -4.832 3.096 1.00 0.00 C ATOM 1119 CD GLU A 74 14.584 -5.429 4.372 1.00 0.00 C ATOM 1120 OE1 GLU A 74 14.095 -4.643 5.216 1.00 0.00 O ATOM 1121 OE2 GLU A 74 14.580 -6.671 4.542 1.00 0.00 O ATOM 0 H GLU A 74 12.229 -3.951 0.271 1.00 0.00 H new ATOM 0 HA GLU A 74 14.454 -5.913 0.737 1.00 0.00 H new ATOM 0 HB2 GLU A 74 14.653 -3.481 1.505 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.354 -3.834 2.627 1.00 0.00 H new ATOM 0 HG2 GLU A 74 15.816 -5.599 2.609 1.00 0.00 H new ATOM 0 HG3 GLU A 74 15.891 -4.027 3.381 1.00 0.00 H new ATOM 1128 N ALA A 75 12.250 -7.339 0.923 1.00 0.00 N ATOM 1129 CA ALA A 75 11.146 -8.253 1.221 1.00 0.00 C ATOM 1130 C ALA A 75 11.531 -9.270 2.323 1.00 0.00 C ATOM 1131 O ALA A 75 12.667 -9.757 2.325 1.00 0.00 O ATOM 1132 CB ALA A 75 10.723 -8.969 -0.065 1.00 0.00 C ATOM 0 H ALA A 75 12.758 -7.580 0.072 1.00 0.00 H new ATOM 0 HA ALA A 75 10.305 -7.675 1.604 1.00 0.00 H new ATOM 0 HB1 ALA A 75 9.901 -9.651 0.152 1.00 0.00 H new ATOM 0 HB2 ALA A 75 10.400 -8.233 -0.801 1.00 0.00 H new ATOM 0 HB3 ALA A 75 11.567 -9.533 -0.462 1.00 0.00 H new ATOM 1138 N PRO A 76 10.602 -9.617 3.273 1.00 0.00 N ATOM 1139 CA PRO A 76 9.228 -9.048 3.370 1.00 0.00 C ATOM 1140 C PRO A 76 9.131 -7.860 4.348 1.00 0.00 C ATOM 1141 O PRO A 76 8.028 -7.405 4.670 1.00 0.00 O ATOM 1142 CB PRO A 76 8.446 -10.274 3.890 1.00 0.00 C ATOM 1143 CG PRO A 76 9.397 -10.983 4.813 1.00 0.00 C ATOM 1144 CD PRO A 76 10.810 -10.639 4.341 1.00 0.00 C ATOM 0 HA PRO A 76 8.863 -8.629 2.432 1.00 0.00 H new ATOM 0 HB2 PRO A 76 7.540 -9.970 4.415 1.00 0.00 H new ATOM 0 HB3 PRO A 76 8.137 -10.921 3.069 1.00 0.00 H new ATOM 0 HG2 PRO A 76 9.245 -10.664 5.844 1.00 0.00 H new ATOM 0 HG3 PRO A 76 9.232 -12.060 4.785 1.00 0.00 H new ATOM 0 HD2 PRO A 76 11.417 -10.245 5.156 1.00 0.00 H new ATOM 0 HD3 PRO A 76 11.326 -11.518 3.955 1.00 0.00 H new ATOM 1152 N THR A 77 10.292 -7.348 4.786 1.00 0.00 N ATOM 1153 CA THR A 77 10.393 -6.476 5.963 1.00 0.00 C ATOM 1154 C THR A 77 10.160 -4.996 5.624 1.00 0.00 C ATOM 1155 O THR A 77 9.957 -4.192 6.531 1.00 0.00 O ATOM 1156 CB THR A 77 11.785 -6.665 6.671 1.00 0.00 C ATOM 1157 OG1 THR A 77 12.352 -7.944 6.332 1.00 0.00 O ATOM 1158 CG2 THR A 77 11.672 -6.571 8.203 1.00 0.00 C ATOM 0 H THR A 77 11.187 -7.528 4.332 1.00 0.00 H new ATOM 0 HA THR A 77 9.599 -6.774 6.647 1.00 0.00 H new ATOM 0 HB THR A 77 12.428 -5.859 6.318 1.00 0.00 H new ATOM 0 HG1 THR A 77 13.119 -7.814 5.736 1.00 0.00 H new ATOM 0 HG21 THR A 77 12.657 -6.707 8.650 1.00 0.00 H new ATOM 0 HG22 THR A 77 11.281 -5.592 8.480 1.00 0.00 H new ATOM 0 HG23 THR A 77 10.998 -7.347 8.566 1.00 0.00 H new ATOM 1166 N ARG A 78 10.188 -4.644 4.326 1.00 0.00 N ATOM 1167 CA ARG A 78 10.043 -3.248 3.878 1.00 0.00 C ATOM 1168 C ARG A 78 9.871 -3.187 2.355 1.00 0.00 C ATOM 1169 O ARG A 78 10.412 -4.016 1.616 1.00 0.00 O ATOM 1170 CB ARG A 78 11.277 -2.409 4.323 1.00 0.00 C ATOM 1171 CG ARG A 78 11.057 -0.880 4.322 1.00 0.00 C ATOM 1172 CD ARG A 78 12.240 -0.128 4.943 1.00 0.00 C ATOM 1173 NE ARG A 78 11.942 1.288 5.153 1.00 0.00 N ATOM 1174 CZ ARG A 78 12.536 2.083 6.052 1.00 0.00 C ATOM 1175 NH1 ARG A 78 13.491 1.615 6.857 1.00 0.00 N ATOM 1176 NH2 ARG A 78 12.141 3.337 6.164 1.00 0.00 N ATOM 0 H ARG A 78 10.311 -5.312 3.565 1.00 0.00 H new ATOM 0 HA ARG A 78 9.151 -2.825 4.340 1.00 0.00 H new ATOM 0 HB2 ARG A 78 11.566 -2.719 5.327 1.00 0.00 H new ATOM 0 HB3 ARG A 78 12.113 -2.642 3.664 1.00 0.00 H new ATOM 0 HG2 ARG A 78 10.906 -0.536 3.299 1.00 0.00 H new ATOM 0 HG3 ARG A 78 10.148 -0.644 4.875 1.00 0.00 H new ATOM 0 HD2 ARG A 78 12.502 -0.588 5.896 1.00 0.00 H new ATOM 0 HD3 ARG A 78 13.110 -0.223 4.294 1.00 0.00 H new ATOM 0 HE ARG A 78 11.221 1.706 4.565 1.00 0.00 H new ATOM 0 HH11 ARG A 78 13.779 0.638 6.793 1.00 0.00 H new ATOM 0 HH12 ARG A 78 13.934 2.234 7.537 1.00 0.00 H new ATOM 0 HH21 ARG A 78 11.391 3.691 5.570 1.00 0.00 H new ATOM 0 HH22 ARG A 78 12.585 3.953 6.845 1.00 0.00 H new ATOM 1190 N LEU A 79 9.113 -2.190 1.896 1.00 0.00 N ATOM 1191 CA LEU A 79 8.895 -1.923 0.480 1.00 0.00 C ATOM 1192 C LEU A 79 8.892 -0.408 0.251 1.00 0.00 C ATOM 1193 O LEU A 79 8.028 0.300 0.758 1.00 0.00 O ATOM 1194 CB LEU A 79 7.570 -2.563 -0.015 1.00 0.00 C ATOM 1195 CG LEU A 79 7.293 -2.416 -1.539 1.00 0.00 C ATOM 1196 CD1 LEU A 79 8.494 -2.919 -2.378 1.00 0.00 C ATOM 1197 CD2 LEU A 79 5.976 -3.123 -1.945 1.00 0.00 C ATOM 0 H LEU A 79 8.627 -1.537 2.510 1.00 0.00 H new ATOM 0 HA LEU A 79 9.703 -2.373 -0.096 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.582 -3.624 0.235 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.741 -2.115 0.534 1.00 0.00 H new ATOM 0 HG LEU A 79 7.168 -1.354 -1.752 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.271 -2.804 -3.439 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.381 -2.337 -2.129 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.676 -3.971 -2.158 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.813 -3.001 -3.016 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.045 -4.185 -1.707 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.143 -2.682 -1.398 1.00 0.00 H new ATOM 1209 N SER A 80 9.858 0.058 -0.531 1.00 0.00 N ATOM 1210 CA SER A 80 10.061 1.475 -0.823 1.00 0.00 C ATOM 1211 C SER A 80 9.762 1.712 -2.308 1.00 0.00 C ATOM 1212 O SER A 80 10.259 0.969 -3.171 1.00 0.00 O ATOM 1213 CB SER A 80 11.514 1.879 -0.483 1.00 0.00 C ATOM 1214 OG SER A 80 11.674 3.284 -0.506 1.00 0.00 O ATOM 0 H SER A 80 10.537 -0.549 -0.990 1.00 0.00 H new ATOM 0 HA SER A 80 9.392 2.087 -0.217 1.00 0.00 H new ATOM 0 HB2 SER A 80 11.779 1.496 0.503 1.00 0.00 H new ATOM 0 HB3 SER A 80 12.198 1.421 -1.197 1.00 0.00 H new ATOM 0 HG SER A 80 11.939 3.568 -1.406 1.00 0.00 H new ATOM 1220 N PHE A 81 8.941 2.728 -2.598 1.00 0.00 N ATOM 1221 CA PHE A 81 8.548 3.086 -3.965 1.00 0.00 C ATOM 1222 C PHE A 81 8.122 4.554 -4.024 1.00 0.00 C ATOM 1223 O PHE A 81 7.608 5.099 -3.058 1.00 0.00 O ATOM 1224 CB PHE A 81 7.420 2.150 -4.488 1.00 0.00 C ATOM 1225 CG PHE A 81 6.198 1.982 -3.575 1.00 0.00 C ATOM 1226 CD1 PHE A 81 6.157 0.971 -2.616 1.00 0.00 C ATOM 1227 CD2 PHE A 81 5.084 2.807 -3.700 1.00 0.00 C ATOM 1228 CE1 PHE A 81 5.047 0.793 -1.814 1.00 0.00 C ATOM 1229 CE2 PHE A 81 3.970 2.625 -2.907 1.00 0.00 C ATOM 1230 CZ PHE A 81 3.950 1.620 -1.959 1.00 0.00 C ATOM 0 H PHE A 81 8.528 3.329 -1.885 1.00 0.00 H new ATOM 0 HA PHE A 81 9.410 2.952 -4.618 1.00 0.00 H new ATOM 0 HB2 PHE A 81 7.078 2.531 -5.450 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.850 1.165 -4.669 1.00 0.00 H new ATOM 0 HD1 PHE A 81 7.008 0.316 -2.498 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.092 3.603 -4.430 1.00 0.00 H new ATOM 0 HE1 PHE A 81 5.037 0.007 -1.073 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.112 3.269 -3.027 1.00 0.00 H new ATOM 0 HZ PHE A 81 3.080 1.482 -1.334 1.00 0.00 H new ATOM 1240 N VAL A 82 8.355 5.199 -5.165 1.00 0.00 N ATOM 1241 CA VAL A 82 7.952 6.594 -5.394 1.00 0.00 C ATOM 1242 C VAL A 82 6.902 6.606 -6.498 1.00 0.00 C ATOM 1243 O VAL A 82 7.104 6.002 -7.548 1.00 0.00 O ATOM 1244 CB VAL A 82 9.170 7.513 -5.782 1.00 0.00 C ATOM 1245 CG1 VAL A 82 8.726 8.969 -6.072 1.00 0.00 C ATOM 1246 CG2 VAL A 82 10.267 7.466 -4.693 1.00 0.00 C ATOM 0 H VAL A 82 8.829 4.773 -5.961 1.00 0.00 H new ATOM 0 HA VAL A 82 7.545 7.000 -4.468 1.00 0.00 H new ATOM 0 HB VAL A 82 9.594 7.119 -6.706 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.597 9.569 -6.336 1.00 0.00 H new ATOM 0 HG12 VAL A 82 8.017 8.975 -6.900 1.00 0.00 H new ATOM 0 HG13 VAL A 82 8.252 9.388 -5.185 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.097 8.109 -4.985 1.00 0.00 H new ATOM 0 HG22 VAL A 82 9.854 7.813 -3.746 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.624 6.442 -4.580 1.00 0.00 H new ATOM 1256 N MET A 83 5.803 7.317 -6.252 1.00 0.00 N ATOM 1257 CA MET A 83 4.685 7.443 -7.187 1.00 0.00 C ATOM 1258 C MET A 83 5.097 8.356 -8.345 1.00 0.00 C ATOM 1259 O MET A 83 5.991 9.190 -8.183 1.00 0.00 O ATOM 1260 CB MET A 83 3.439 8.003 -6.453 1.00 0.00 C ATOM 1261 CG MET A 83 2.787 7.031 -5.459 1.00 0.00 C ATOM 1262 SD MET A 83 1.434 7.790 -4.529 1.00 0.00 S ATOM 1263 CE MET A 83 0.276 8.229 -5.828 1.00 0.00 C ATOM 0 H MET A 83 5.661 7.831 -5.382 1.00 0.00 H new ATOM 0 HA MET A 83 4.426 6.463 -7.588 1.00 0.00 H new ATOM 0 HB2 MET A 83 3.726 8.909 -5.919 1.00 0.00 H new ATOM 0 HB3 MET A 83 2.696 8.293 -7.196 1.00 0.00 H new ATOM 0 HG2 MET A 83 2.409 6.163 -6.000 1.00 0.00 H new ATOM 0 HG3 MET A 83 3.543 6.668 -4.763 1.00 0.00 H new ATOM 0 HE1 MET A 83 -0.686 8.488 -5.386 1.00 0.00 H new ATOM 0 HE2 MET A 83 0.661 9.083 -6.385 1.00 0.00 H new ATOM 0 HE3 MET A 83 0.149 7.383 -6.503 1.00 0.00 H new ATOM 1273 N ASP A 84 4.432 8.206 -9.502 1.00 0.00 N ATOM 1274 CA ASP A 84 4.726 8.998 -10.725 1.00 0.00 C ATOM 1275 C ASP A 84 4.404 10.505 -10.524 1.00 0.00 C ATOM 1276 O ASP A 84 4.910 11.369 -11.258 1.00 0.00 O ATOM 1277 CB ASP A 84 3.947 8.403 -11.926 1.00 0.00 C ATOM 1278 CG ASP A 84 4.253 9.086 -13.275 1.00 0.00 C ATOM 1279 OD1 ASP A 84 5.272 8.744 -13.913 1.00 0.00 O ATOM 1280 OD2 ASP A 84 3.486 9.977 -13.699 1.00 0.00 O ATOM 0 H ASP A 84 3.674 7.534 -9.624 1.00 0.00 H new ATOM 0 HA ASP A 84 5.794 8.936 -10.934 1.00 0.00 H new ATOM 0 HB2 ASP A 84 4.181 7.341 -12.007 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.878 8.480 -11.726 1.00 0.00 H new ATOM 1285 N ASP A 85 3.592 10.806 -9.491 1.00 0.00 N ATOM 1286 CA ASP A 85 3.230 12.188 -9.103 1.00 0.00 C ATOM 1287 C ASP A 85 4.247 12.784 -8.094 1.00 0.00 C ATOM 1288 O ASP A 85 4.049 13.901 -7.604 1.00 0.00 O ATOM 1289 CB ASP A 85 1.803 12.210 -8.494 1.00 0.00 C ATOM 1290 CG ASP A 85 0.710 11.832 -9.507 1.00 0.00 C ATOM 1291 OD1 ASP A 85 0.415 12.646 -10.406 1.00 0.00 O ATOM 1292 OD2 ASP A 85 0.147 10.719 -9.429 1.00 0.00 O ATOM 0 H ASP A 85 3.165 10.094 -8.898 1.00 0.00 H new ATOM 0 HA ASP A 85 3.253 12.804 -10.002 1.00 0.00 H new ATOM 0 HB2 ASP A 85 1.763 11.520 -7.651 1.00 0.00 H new ATOM 0 HB3 ASP A 85 1.597 13.206 -8.101 1.00 0.00 H new ATOM 1297 N GLY A 86 5.325 12.026 -7.786 1.00 0.00 N ATOM 1298 CA GLY A 86 6.393 12.479 -6.869 1.00 0.00 C ATOM 1299 C GLY A 86 6.205 12.009 -5.424 1.00 0.00 C ATOM 1300 O GLY A 86 7.095 12.198 -4.591 1.00 0.00 O ATOM 0 H GLY A 86 5.477 11.091 -8.164 1.00 0.00 H new ATOM 0 HA2 GLY A 86 7.353 12.117 -7.237 1.00 0.00 H new ATOM 0 HA3 GLY A 86 6.435 13.568 -6.885 1.00 0.00 H new ATOM 1304 N ARG A 87 5.037 11.408 -5.125 1.00 0.00 N ATOM 1305 CA ARG A 87 4.681 10.958 -3.756 1.00 0.00 C ATOM 1306 C ARG A 87 5.486 9.704 -3.360 1.00 0.00 C ATOM 1307 O ARG A 87 5.180 8.602 -3.786 1.00 0.00 O ATOM 1308 CB ARG A 87 3.141 10.690 -3.661 1.00 0.00 C ATOM 1309 CG ARG A 87 2.223 11.933 -3.443 1.00 0.00 C ATOM 1310 CD ARG A 87 2.469 13.105 -4.418 1.00 0.00 C ATOM 1311 NE ARG A 87 3.611 13.943 -4.014 1.00 0.00 N ATOM 1312 CZ ARG A 87 3.894 15.166 -4.491 1.00 0.00 C ATOM 1313 NH1 ARG A 87 3.125 15.746 -5.409 1.00 0.00 N ATOM 1314 NH2 ARG A 87 4.958 15.803 -4.031 1.00 0.00 N ATOM 0 H ARG A 87 4.314 11.219 -5.819 1.00 0.00 H new ATOM 0 HA ARG A 87 4.938 11.750 -3.053 1.00 0.00 H new ATOM 0 HB2 ARG A 87 2.826 10.191 -4.578 1.00 0.00 H new ATOM 0 HB3 ARG A 87 2.967 9.992 -2.842 1.00 0.00 H new ATOM 0 HG2 ARG A 87 1.183 11.618 -3.532 1.00 0.00 H new ATOM 0 HG3 ARG A 87 2.361 12.293 -2.423 1.00 0.00 H new ATOM 0 HD2 ARG A 87 2.648 12.710 -5.418 1.00 0.00 H new ATOM 0 HD3 ARG A 87 1.572 13.721 -4.474 1.00 0.00 H new ATOM 0 HE ARG A 87 4.242 13.561 -3.310 1.00 0.00 H new ATOM 0 HH11 ARG A 87 2.301 15.261 -5.765 1.00 0.00 H new ATOM 0 HH12 ARG A 87 3.359 16.676 -5.757 1.00 0.00 H new ATOM 0 HH21 ARG A 87 5.549 15.365 -3.325 1.00 0.00 H new ATOM 0 HH22 ARG A 87 5.187 16.733 -4.383 1.00 0.00 H new ATOM 1328 N GLU A 88 6.489 9.889 -2.496 1.00 0.00 N ATOM 1329 CA GLU A 88 7.378 8.811 -2.042 1.00 0.00 C ATOM 1330 C GLU A 88 6.711 8.033 -0.900 1.00 0.00 C ATOM 1331 O GLU A 88 6.582 8.549 0.214 1.00 0.00 O ATOM 1332 CB GLU A 88 8.726 9.404 -1.583 1.00 0.00 C ATOM 1333 CG GLU A 88 9.392 10.329 -2.615 1.00 0.00 C ATOM 1334 CD GLU A 88 10.793 10.794 -2.196 1.00 0.00 C ATOM 1335 OE1 GLU A 88 10.896 11.776 -1.436 1.00 0.00 O ATOM 1336 OE2 GLU A 88 11.791 10.160 -2.603 1.00 0.00 O ATOM 0 H GLU A 88 6.710 10.797 -2.088 1.00 0.00 H new ATOM 0 HA GLU A 88 7.565 8.123 -2.867 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.569 9.962 -0.660 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.409 8.587 -1.350 1.00 0.00 H new ATOM 0 HG2 GLU A 88 9.460 9.808 -3.570 1.00 0.00 H new ATOM 0 HG3 GLU A 88 8.759 11.202 -2.773 1.00 0.00 H new ATOM 1343 N VAL A 89 6.253 6.805 -1.210 1.00 0.00 N ATOM 1344 CA VAL A 89 5.558 5.926 -0.253 1.00 0.00 C ATOM 1345 C VAL A 89 6.459 4.727 0.098 1.00 0.00 C ATOM 1346 O VAL A 89 6.853 3.959 -0.779 1.00 0.00 O ATOM 1347 CB VAL A 89 4.189 5.406 -0.827 1.00 0.00 C ATOM 1348 CG1 VAL A 89 3.374 4.649 0.256 1.00 0.00 C ATOM 1349 CG2 VAL A 89 3.383 6.562 -1.456 1.00 0.00 C ATOM 0 H VAL A 89 6.356 6.393 -2.138 1.00 0.00 H new ATOM 0 HA VAL A 89 5.346 6.510 0.643 1.00 0.00 H new ATOM 0 HB VAL A 89 4.403 4.689 -1.620 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.434 4.302 -0.172 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.948 3.793 0.611 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.167 5.319 1.091 1.00 0.00 H new ATOM 0 HG21 VAL A 89 2.440 6.178 -1.846 1.00 0.00 H new ATOM 0 HG22 VAL A 89 3.181 7.319 -0.698 1.00 0.00 H new ATOM 0 HG23 VAL A 89 3.958 7.006 -2.268 1.00 0.00 H new ATOM 1359 N ASP A 90 6.745 4.562 1.382 1.00 0.00 N ATOM 1360 CA ASP A 90 7.627 3.519 1.895 1.00 0.00 C ATOM 1361 C ASP A 90 6.870 2.774 3.001 1.00 0.00 C ATOM 1362 O ASP A 90 6.680 3.298 4.105 1.00 0.00 O ATOM 1363 CB ASP A 90 8.943 4.156 2.416 1.00 0.00 C ATOM 1364 CG ASP A 90 9.832 3.165 3.183 1.00 0.00 C ATOM 1365 OD1 ASP A 90 10.531 2.341 2.563 1.00 0.00 O ATOM 1366 OD2 ASP A 90 9.814 3.194 4.426 1.00 0.00 O ATOM 0 H ASP A 90 6.363 5.162 2.113 1.00 0.00 H new ATOM 0 HA ASP A 90 7.904 2.811 1.114 1.00 0.00 H new ATOM 0 HB2 ASP A 90 9.503 4.559 1.572 1.00 0.00 H new ATOM 0 HB3 ASP A 90 8.700 4.996 3.067 1.00 0.00 H new ATOM 1371 N VAL A 91 6.429 1.567 2.668 1.00 0.00 N ATOM 1372 CA VAL A 91 5.647 0.706 3.550 1.00 0.00 C ATOM 1373 C VAL A 91 6.587 -0.244 4.300 1.00 0.00 C ATOM 1374 O VAL A 91 7.210 -1.112 3.702 1.00 0.00 O ATOM 1375 CB VAL A 91 4.592 -0.115 2.723 1.00 0.00 C ATOM 1376 CG1 VAL A 91 3.651 -0.904 3.654 1.00 0.00 C ATOM 1377 CG2 VAL A 91 3.800 0.810 1.767 1.00 0.00 C ATOM 0 H VAL A 91 6.609 1.149 1.755 1.00 0.00 H new ATOM 0 HA VAL A 91 5.111 1.326 4.269 1.00 0.00 H new ATOM 0 HB VAL A 91 5.130 -0.840 2.112 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.931 -1.463 3.055 1.00 0.00 H new ATOM 0 HG12 VAL A 91 4.235 -1.597 4.259 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.120 -0.211 4.307 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.076 0.219 1.206 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.276 1.570 2.347 1.00 0.00 H new ATOM 0 HG23 VAL A 91 4.489 1.293 1.074 1.00 0.00 H new ATOM 1387 N GLN A 92 6.653 -0.075 5.616 1.00 0.00 N ATOM 1388 CA GLN A 92 7.541 -0.843 6.499 1.00 0.00 C ATOM 1389 C GLN A 92 6.719 -1.950 7.156 1.00 0.00 C ATOM 1390 O GLN A 92 5.580 -1.723 7.530 1.00 0.00 O ATOM 1391 CB GLN A 92 8.126 0.090 7.594 1.00 0.00 C ATOM 1392 CG GLN A 92 8.829 1.336 7.039 1.00 0.00 C ATOM 1393 CD GLN A 92 9.252 2.325 8.126 1.00 0.00 C ATOM 1394 OE1 GLN A 92 8.486 3.209 8.517 1.00 0.00 O ATOM 1395 NE2 GLN A 92 10.484 2.215 8.592 1.00 0.00 N ATOM 0 H GLN A 92 6.084 0.610 6.113 1.00 0.00 H new ATOM 0 HA GLN A 92 8.363 -1.271 5.926 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.321 0.405 8.258 1.00 0.00 H new ATOM 0 HB3 GLN A 92 8.835 -0.476 8.199 1.00 0.00 H new ATOM 0 HG2 GLN A 92 9.709 1.027 6.475 1.00 0.00 H new ATOM 0 HG3 GLN A 92 8.162 1.839 6.339 1.00 0.00 H new ATOM 0 HE21 GLN A 92 11.095 1.473 8.249 1.00 0.00 H new ATOM 0 HE22 GLN A 92 10.824 2.872 9.294 1.00 0.00 H new ATOM 1404 N PHE A 93 7.289 -3.145 7.255 1.00 0.00 N ATOM 1405 CA PHE A 93 6.651 -4.297 7.911 1.00 0.00 C ATOM 1406 C PHE A 93 7.550 -4.732 9.079 1.00 0.00 C ATOM 1407 O PHE A 93 8.613 -5.324 8.864 1.00 0.00 O ATOM 1408 CB PHE A 93 6.465 -5.459 6.896 1.00 0.00 C ATOM 1409 CG PHE A 93 5.668 -5.108 5.631 1.00 0.00 C ATOM 1410 CD1 PHE A 93 6.300 -4.537 4.519 1.00 0.00 C ATOM 1411 CD2 PHE A 93 4.298 -5.351 5.548 1.00 0.00 C ATOM 1412 CE1 PHE A 93 5.587 -4.224 3.377 1.00 0.00 C ATOM 1413 CE2 PHE A 93 3.585 -5.039 4.402 1.00 0.00 C ATOM 1414 CZ PHE A 93 4.229 -4.477 3.317 1.00 0.00 C ATOM 0 H PHE A 93 8.215 -3.351 6.881 1.00 0.00 H new ATOM 0 HA PHE A 93 5.663 -4.025 8.283 1.00 0.00 H new ATOM 0 HB2 PHE A 93 7.450 -5.818 6.596 1.00 0.00 H new ATOM 0 HB3 PHE A 93 5.965 -6.285 7.402 1.00 0.00 H new ATOM 0 HD1 PHE A 93 7.361 -4.338 4.554 1.00 0.00 H new ATOM 0 HD2 PHE A 93 3.784 -5.790 6.391 1.00 0.00 H new ATOM 0 HE1 PHE A 93 6.091 -3.781 2.531 1.00 0.00 H new ATOM 0 HE2 PHE A 93 2.524 -5.235 4.357 1.00 0.00 H new ATOM 0 HZ PHE A 93 3.673 -4.236 2.423 1.00 0.00 H new ATOM 1424 N ALA A 94 7.166 -4.363 10.304 1.00 0.00 N ATOM 1425 CA ALA A 94 7.929 -4.706 11.514 1.00 0.00 C ATOM 1426 C ALA A 94 7.446 -6.061 12.045 1.00 0.00 C ATOM 1427 O ALA A 94 6.278 -6.195 12.402 1.00 0.00 O ATOM 1428 CB ALA A 94 7.784 -3.598 12.577 1.00 0.00 C ATOM 0 H ALA A 94 6.322 -3.821 10.488 1.00 0.00 H new ATOM 0 HA ALA A 94 8.989 -4.784 11.271 1.00 0.00 H new ATOM 0 HB1 ALA A 94 8.355 -3.869 13.465 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.161 -2.657 12.176 1.00 0.00 H new ATOM 0 HB3 ALA A 94 6.733 -3.484 12.842 1.00 0.00 H new ATOM 1434 N SER A 95 8.337 -7.063 12.050 1.00 0.00 N ATOM 1435 CA SER A 95 8.030 -8.401 12.569 1.00 0.00 C ATOM 1436 C SER A 95 7.839 -8.335 14.092 1.00 0.00 C ATOM 1437 O SER A 95 8.755 -7.962 14.827 1.00 0.00 O ATOM 1438 CB SER A 95 9.148 -9.394 12.180 1.00 0.00 C ATOM 1439 OG SER A 95 10.438 -8.908 12.539 1.00 0.00 O ATOM 0 H SER A 95 9.288 -6.968 11.695 1.00 0.00 H new ATOM 0 HA SER A 95 7.101 -8.759 12.126 1.00 0.00 H new ATOM 0 HB2 SER A 95 8.971 -10.351 12.671 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.114 -9.576 11.106 1.00 0.00 H new ATOM 0 HG SER A 95 10.388 -8.457 13.408 1.00 0.00 H new ATOM 1445 N GLU A 96 6.635 -8.677 14.546 1.00 0.00 N ATOM 1446 CA GLU A 96 6.234 -8.580 15.961 1.00 0.00 C ATOM 1447 C GLU A 96 6.029 -9.991 16.536 1.00 0.00 C ATOM 1448 O GLU A 96 5.727 -10.923 15.775 1.00 0.00 O ATOM 1449 CB GLU A 96 4.913 -7.772 16.098 1.00 0.00 C ATOM 1450 CG GLU A 96 4.953 -6.345 15.535 1.00 0.00 C ATOM 1451 CD GLU A 96 5.969 -5.437 16.247 1.00 0.00 C ATOM 1452 OE1 GLU A 96 5.699 -5.023 17.393 1.00 0.00 O ATOM 1453 OE2 GLU A 96 7.037 -5.138 15.672 1.00 0.00 O ATOM 0 H GLU A 96 5.897 -9.034 13.940 1.00 0.00 H new ATOM 0 HA GLU A 96 7.021 -8.066 16.512 1.00 0.00 H new ATOM 0 HB2 GLU A 96 4.117 -8.321 15.594 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.646 -7.721 17.154 1.00 0.00 H new ATOM 0 HG2 GLU A 96 5.196 -6.388 14.473 1.00 0.00 H new ATOM 0 HG3 GLU A 96 3.961 -5.902 15.617 1.00 0.00 H new ATOM 1460 N PRO A 97 6.163 -10.173 17.886 1.00 0.00 N ATOM 1461 CA PRO A 97 5.785 -11.439 18.552 1.00 0.00 C ATOM 1462 C PRO A 97 4.255 -11.693 18.483 1.00 0.00 C ATOM 1463 O PRO A 97 3.803 -12.836 18.570 1.00 0.00 O ATOM 1464 CB PRO A 97 6.286 -11.243 20.008 1.00 0.00 C ATOM 1465 CG PRO A 97 6.350 -9.760 20.206 1.00 0.00 C ATOM 1466 CD PRO A 97 6.717 -9.183 18.859 1.00 0.00 C ATOM 0 HA PRO A 97 6.222 -12.317 18.076 1.00 0.00 H new ATOM 0 HB2 PRO A 97 5.607 -11.707 20.724 1.00 0.00 H new ATOM 0 HB3 PRO A 97 7.264 -11.702 20.153 1.00 0.00 H new ATOM 0 HG2 PRO A 97 5.393 -9.370 20.552 1.00 0.00 H new ATOM 0 HG3 PRO A 97 7.092 -9.497 20.960 1.00 0.00 H new ATOM 0 HD2 PRO A 97 6.282 -8.194 18.715 1.00 0.00 H new ATOM 0 HD3 PRO A 97 7.796 -9.076 18.750 1.00 0.00 H new ATOM 1474 N GLY A 98 3.481 -10.602 18.294 1.00 0.00 N ATOM 1475 CA GLY A 98 2.014 -10.659 18.205 1.00 0.00 C ATOM 1476 C GLY A 98 1.473 -10.464 16.788 1.00 0.00 C ATOM 1477 O GLY A 98 0.251 -10.421 16.600 1.00 0.00 O ATOM 0 H GLY A 98 3.860 -9.660 18.199 1.00 0.00 H new ATOM 0 HA2 GLY A 98 1.674 -11.623 18.584 1.00 0.00 H new ATOM 0 HA3 GLY A 98 1.590 -9.893 18.854 1.00 0.00 H new ATOM 1481 N GLY A 99 2.366 -10.325 15.794 1.00 0.00 N ATOM 1482 CA GLY A 99 1.951 -10.197 14.387 1.00 0.00 C ATOM 1483 C GLY A 99 2.953 -9.404 13.553 1.00 0.00 C ATOM 1484 O GLY A 99 4.126 -9.758 13.513 1.00 0.00 O ATOM 0 H GLY A 99 3.375 -10.298 15.938 1.00 0.00 H new ATOM 0 HA2 GLY A 99 1.829 -11.191 13.955 1.00 0.00 H new ATOM 0 HA3 GLY A 99 0.978 -9.708 14.341 1.00 0.00 H new ATOM 1488 N THR A 100 2.493 -8.327 12.894 1.00 0.00 N ATOM 1489 CA THR A 100 3.321 -7.475 12.022 1.00 0.00 C ATOM 1490 C THR A 100 2.802 -6.027 12.068 1.00 0.00 C ATOM 1491 O THR A 100 1.687 -5.749 11.605 1.00 0.00 O ATOM 1492 CB THR A 100 3.325 -7.994 10.542 1.00 0.00 C ATOM 1493 OG1 THR A 100 3.819 -9.336 10.507 1.00 0.00 O ATOM 1494 CG2 THR A 100 4.182 -7.116 9.609 1.00 0.00 C ATOM 0 H THR A 100 1.522 -8.019 12.953 1.00 0.00 H new ATOM 0 HA THR A 100 4.346 -7.511 12.390 1.00 0.00 H new ATOM 0 HB THR A 100 2.297 -7.951 10.183 1.00 0.00 H new ATOM 0 HG1 THR A 100 3.092 -9.958 10.720 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.149 -7.521 8.597 1.00 0.00 H new ATOM 0 HG22 THR A 100 3.791 -6.099 9.606 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.213 -7.107 9.963 1.00 0.00 H new ATOM 1502 N TRP A 101 3.611 -5.118 12.632 1.00 0.00 N ATOM 1503 CA TRP A 101 3.275 -3.698 12.755 1.00 0.00 C ATOM 1504 C TRP A 101 3.732 -2.953 11.490 1.00 0.00 C ATOM 1505 O TRP A 101 4.919 -2.660 11.319 1.00 0.00 O ATOM 1506 CB TRP A 101 3.930 -3.117 14.031 1.00 0.00 C ATOM 1507 CG TRP A 101 3.520 -1.706 14.374 1.00 0.00 C ATOM 1508 CD1 TRP A 101 2.265 -1.165 14.297 1.00 0.00 C ATOM 1509 CD2 TRP A 101 4.366 -0.673 14.887 1.00 0.00 C ATOM 1510 NE1 TRP A 101 2.290 0.134 14.717 1.00 0.00 N ATOM 1511 CE2 TRP A 101 3.566 0.461 15.086 1.00 0.00 C ATOM 1512 CE3 TRP A 101 5.727 -0.603 15.191 1.00 0.00 C ATOM 1513 CZ2 TRP A 101 4.081 1.654 15.578 1.00 0.00 C ATOM 1514 CZ3 TRP A 101 6.239 0.581 15.684 1.00 0.00 C ATOM 1515 CH2 TRP A 101 5.415 1.698 15.873 1.00 0.00 C ATOM 0 H TRP A 101 4.525 -5.354 13.018 1.00 0.00 H new ATOM 0 HA TRP A 101 2.196 -3.573 12.848 1.00 0.00 H new ATOM 0 HB2 TRP A 101 3.686 -3.765 14.873 1.00 0.00 H new ATOM 0 HB3 TRP A 101 5.013 -3.145 13.910 1.00 0.00 H new ATOM 0 HD1 TRP A 101 1.385 -1.689 13.954 1.00 0.00 H new ATOM 0 HE1 TRP A 101 1.486 0.760 14.750 1.00 0.00 H new ATOM 0 HE3 TRP A 101 6.368 -1.460 15.043 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 3.449 2.517 15.722 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 7.289 0.647 15.927 1.00 0.00 H new ATOM 0 HH2 TRP A 101 5.842 2.612 16.259 1.00 0.00 H new ATOM 1526 N VAL A 102 2.773 -2.684 10.602 1.00 0.00 N ATOM 1527 CA VAL A 102 3.023 -2.065 9.300 1.00 0.00 C ATOM 1528 C VAL A 102 2.949 -0.532 9.425 1.00 0.00 C ATOM 1529 O VAL A 102 1.906 0.014 9.780 1.00 0.00 O ATOM 1530 CB VAL A 102 1.990 -2.568 8.217 1.00 0.00 C ATOM 1531 CG1 VAL A 102 2.355 -2.034 6.813 1.00 0.00 C ATOM 1532 CG2 VAL A 102 1.873 -4.117 8.225 1.00 0.00 C ATOM 0 H VAL A 102 1.789 -2.893 10.770 1.00 0.00 H new ATOM 0 HA VAL A 102 4.022 -2.355 8.974 1.00 0.00 H new ATOM 0 HB VAL A 102 1.010 -2.168 8.478 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.628 -2.395 6.086 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.346 -0.944 6.825 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.349 -2.386 6.537 1.00 0.00 H new ATOM 0 HG21 VAL A 102 1.154 -4.432 7.468 1.00 0.00 H new ATOM 0 HG22 VAL A 102 2.846 -4.557 8.006 1.00 0.00 H new ATOM 0 HG23 VAL A 102 1.536 -4.451 9.206 1.00 0.00 H new ATOM 1542 N GLN A 103 4.078 0.136 9.139 1.00 0.00 N ATOM 1543 CA GLN A 103 4.212 1.600 9.197 1.00 0.00 C ATOM 1544 C GLN A 103 4.408 2.145 7.774 1.00 0.00 C ATOM 1545 O GLN A 103 5.497 2.042 7.213 1.00 0.00 O ATOM 1546 CB GLN A 103 5.433 1.967 10.083 1.00 0.00 C ATOM 1547 CG GLN A 103 5.317 1.506 11.546 1.00 0.00 C ATOM 1548 CD GLN A 103 6.638 1.619 12.311 1.00 0.00 C ATOM 1549 OE1 GLN A 103 7.418 0.671 12.367 1.00 0.00 O ATOM 1550 NE2 GLN A 103 6.905 2.783 12.885 1.00 0.00 N ATOM 0 H GLN A 103 4.938 -0.334 8.856 1.00 0.00 H new ATOM 0 HA GLN A 103 3.313 2.041 9.628 1.00 0.00 H new ATOM 0 HB2 GLN A 103 6.329 1.527 9.646 1.00 0.00 H new ATOM 0 HB3 GLN A 103 5.568 3.048 10.065 1.00 0.00 H new ATOM 0 HG2 GLN A 103 4.558 2.103 12.051 1.00 0.00 H new ATOM 0 HG3 GLN A 103 4.976 0.471 11.570 1.00 0.00 H new ATOM 0 HE21 GLN A 103 6.235 3.550 12.819 1.00 0.00 H new ATOM 0 HE22 GLN A 103 7.780 2.912 13.393 1.00 0.00 H new ATOM 1559 N GLU A 104 3.356 2.742 7.204 1.00 0.00 N ATOM 1560 CA GLU A 104 3.403 3.297 5.844 1.00 0.00 C ATOM 1561 C GLU A 104 3.699 4.805 5.913 1.00 0.00 C ATOM 1562 O GLU A 104 2.874 5.592 6.376 1.00 0.00 O ATOM 1563 CB GLU A 104 2.076 3.013 5.098 1.00 0.00 C ATOM 1564 CG GLU A 104 2.009 3.595 3.672 1.00 0.00 C ATOM 1565 CD GLU A 104 0.677 3.295 2.959 1.00 0.00 C ATOM 1566 OE1 GLU A 104 0.524 2.175 2.414 1.00 0.00 O ATOM 1567 OE2 GLU A 104 -0.218 4.169 2.954 1.00 0.00 O ATOM 0 H GLU A 104 2.454 2.854 7.667 1.00 0.00 H new ATOM 0 HA GLU A 104 4.203 2.815 5.283 1.00 0.00 H new ATOM 0 HB2 GLU A 104 1.927 1.935 5.044 1.00 0.00 H new ATOM 0 HB3 GLU A 104 1.251 3.420 5.682 1.00 0.00 H new ATOM 0 HG2 GLU A 104 2.154 4.674 3.719 1.00 0.00 H new ATOM 0 HG3 GLU A 104 2.830 3.189 3.081 1.00 0.00 H new ATOM 1574 N THR A 105 4.900 5.189 5.478 1.00 0.00 N ATOM 1575 CA THR A 105 5.308 6.590 5.392 1.00 0.00 C ATOM 1576 C THR A 105 5.159 7.045 3.939 1.00 0.00 C ATOM 1577 O THR A 105 5.968 6.690 3.085 1.00 0.00 O ATOM 1578 CB THR A 105 6.775 6.783 5.881 1.00 0.00 C ATOM 1579 OG1 THR A 105 6.908 6.238 7.206 1.00 0.00 O ATOM 1580 CG2 THR A 105 7.202 8.267 5.892 1.00 0.00 C ATOM 0 H THR A 105 5.620 4.533 5.174 1.00 0.00 H new ATOM 0 HA THR A 105 4.673 7.194 6.041 1.00 0.00 H new ATOM 0 HB THR A 105 7.427 6.261 5.181 1.00 0.00 H new ATOM 0 HG1 THR A 105 6.592 6.893 7.863 1.00 0.00 H new ATOM 0 HG21 THR A 105 8.232 8.347 6.240 1.00 0.00 H new ATOM 0 HG22 THR A 105 7.127 8.675 4.884 1.00 0.00 H new ATOM 0 HG23 THR A 105 6.549 8.829 6.560 1.00 0.00 H new ATOM 1588 N PHE A 106 4.143 7.856 3.683 1.00 0.00 N ATOM 1589 CA PHE A 106 3.757 8.275 2.334 1.00 0.00 C ATOM 1590 C PHE A 106 3.917 9.784 2.223 1.00 0.00 C ATOM 1591 O PHE A 106 3.587 10.505 3.162 1.00 0.00 O ATOM 1592 CB PHE A 106 2.289 7.854 2.043 1.00 0.00 C ATOM 1593 CG PHE A 106 1.247 8.408 3.029 1.00 0.00 C ATOM 1594 CD1 PHE A 106 0.925 7.712 4.193 1.00 0.00 C ATOM 1595 CD2 PHE A 106 0.597 9.630 2.798 1.00 0.00 C ATOM 1596 CE1 PHE A 106 0.002 8.213 5.084 1.00 0.00 C ATOM 1597 CE2 PHE A 106 -0.326 10.127 3.697 1.00 0.00 C ATOM 1598 CZ PHE A 106 -0.622 9.416 4.839 1.00 0.00 C ATOM 0 H PHE A 106 3.551 8.250 4.415 1.00 0.00 H new ATOM 0 HA PHE A 106 4.398 7.791 1.598 1.00 0.00 H new ATOM 0 HB2 PHE A 106 2.026 8.181 1.037 1.00 0.00 H new ATOM 0 HB3 PHE A 106 2.231 6.766 2.050 1.00 0.00 H new ATOM 0 HD1 PHE A 106 1.406 6.767 4.399 1.00 0.00 H new ATOM 0 HD2 PHE A 106 0.822 10.191 1.903 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -0.234 7.659 5.981 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -0.815 11.071 3.505 1.00 0.00 H new ATOM 0 HZ PHE A 106 -1.344 9.802 5.543 1.00 0.00 H new ATOM 1608 N ASP A 107 4.417 10.270 1.094 1.00 0.00 N ATOM 1609 CA ASP A 107 4.479 11.713 0.843 1.00 0.00 C ATOM 1610 C ASP A 107 3.067 12.220 0.502 1.00 0.00 C ATOM 1611 O ASP A 107 2.355 11.613 -0.299 1.00 0.00 O ATOM 1612 CB ASP A 107 5.496 12.045 -0.268 1.00 0.00 C ATOM 1613 CG ASP A 107 5.626 13.546 -0.560 1.00 0.00 C ATOM 1614 OD1 ASP A 107 5.891 14.314 0.381 1.00 0.00 O ATOM 1615 OD2 ASP A 107 5.485 13.959 -1.727 1.00 0.00 O ATOM 0 H ASP A 107 4.785 9.693 0.338 1.00 0.00 H new ATOM 0 HA ASP A 107 4.829 12.224 1.740 1.00 0.00 H new ATOM 0 HB2 ASP A 107 6.473 11.654 0.018 1.00 0.00 H new ATOM 0 HB3 ASP A 107 5.202 11.531 -1.183 1.00 0.00 H new ATOM 1620 N ALA A 108 2.676 13.310 1.155 1.00 0.00 N ATOM 1621 CA ALA A 108 1.345 13.919 1.038 1.00 0.00 C ATOM 1622 C ALA A 108 1.491 15.394 0.653 1.00 0.00 C ATOM 1623 O ALA A 108 2.553 15.999 0.856 1.00 0.00 O ATOM 1624 CB ALA A 108 0.590 13.759 2.365 1.00 0.00 C ATOM 0 H ALA A 108 3.288 13.811 1.798 1.00 0.00 H new ATOM 0 HA ALA A 108 0.771 13.419 0.258 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -0.398 14.211 2.278 1.00 0.00 H new ATOM 0 HB2 ALA A 108 0.485 12.699 2.598 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.146 14.253 3.162 1.00 0.00 H new ATOM 1630 N GLU A 109 0.401 15.966 0.151 1.00 0.00 N ATOM 1631 CA GLU A 109 0.379 17.313 -0.436 1.00 0.00 C ATOM 1632 C GLU A 109 0.252 18.383 0.674 1.00 0.00 C ATOM 1633 O GLU A 109 -0.677 18.341 1.484 1.00 0.00 O ATOM 1634 CB GLU A 109 -0.793 17.413 -1.453 1.00 0.00 C ATOM 1635 CG GLU A 109 -1.062 18.819 -2.032 1.00 0.00 C ATOM 1636 CD GLU A 109 0.131 19.438 -2.782 1.00 0.00 C ATOM 1637 OE1 GLU A 109 0.294 19.178 -3.988 1.00 0.00 O ATOM 1638 OE2 GLU A 109 0.904 20.209 -2.168 1.00 0.00 O ATOM 0 H GLU A 109 -0.509 15.505 0.138 1.00 0.00 H new ATOM 0 HA GLU A 109 1.315 17.496 -0.964 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -0.590 16.733 -2.280 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -1.703 17.061 -0.966 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -1.912 18.762 -2.712 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -1.349 19.485 -1.218 1.00 0.00 H new ATOM 1688 N THR A 113 -5.166 19.191 3.506 1.00 0.00 N ATOM 1689 CA THR A 113 -5.190 19.014 4.972 1.00 0.00 C ATOM 1690 C THR A 113 -4.347 17.786 5.400 1.00 0.00 C ATOM 1691 O THR A 113 -4.682 16.668 5.004 1.00 0.00 O ATOM 1692 CB THR A 113 -6.652 18.840 5.498 1.00 0.00 C ATOM 1693 OG1 THR A 113 -7.457 19.942 5.067 1.00 0.00 O ATOM 1694 CG2 THR A 113 -6.719 18.730 7.036 1.00 0.00 C ATOM 0 HA THR A 113 -4.759 19.915 5.409 1.00 0.00 H new ATOM 0 HB THR A 113 -7.032 17.906 5.084 1.00 0.00 H new ATOM 0 HG1 THR A 113 -7.114 20.284 4.215 1.00 0.00 H new ATOM 0 HG21 THR A 113 -7.757 18.611 7.347 1.00 0.00 H new ATOM 0 HG22 THR A 113 -6.140 17.867 7.365 1.00 0.00 H new ATOM 0 HG23 THR A 113 -6.308 19.635 7.484 1.00 0.00 H new ATOM 1702 N PRO A 114 -3.237 17.986 6.192 1.00 0.00 N ATOM 1703 CA PRO A 114 -2.344 16.885 6.648 1.00 0.00 C ATOM 1704 C PRO A 114 -3.108 15.724 7.332 1.00 0.00 C ATOM 1705 O PRO A 114 -2.903 14.555 7.000 1.00 0.00 O ATOM 1706 CB PRO A 114 -1.389 17.599 7.642 1.00 0.00 C ATOM 1707 CG PRO A 114 -1.362 19.021 7.190 1.00 0.00 C ATOM 1708 CD PRO A 114 -2.758 19.309 6.690 1.00 0.00 C ATOM 0 HA PRO A 114 -1.831 16.402 5.816 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -1.751 17.516 8.667 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -0.393 17.158 7.619 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -1.092 19.688 8.008 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -0.624 19.169 6.402 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -3.397 19.692 7.486 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -2.753 20.057 5.897 1.00 0.00 H new ATOM 1716 N ALA A 115 -4.012 16.085 8.262 1.00 0.00 N ATOM 1717 CA ALA A 115 -4.830 15.114 9.033 1.00 0.00 C ATOM 1718 C ALA A 115 -5.781 14.297 8.139 1.00 0.00 C ATOM 1719 O ALA A 115 -6.008 13.106 8.396 1.00 0.00 O ATOM 1720 CB ALA A 115 -5.624 15.845 10.127 1.00 0.00 C ATOM 0 H ALA A 115 -4.200 17.058 8.504 1.00 0.00 H new ATOM 0 HA ALA A 115 -4.140 14.406 9.492 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -6.220 15.124 10.687 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -4.933 16.348 10.804 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -6.282 16.582 9.668 1.00 0.00 H new ATOM 1726 N GLN A 116 -6.333 14.950 7.097 1.00 0.00 N ATOM 1727 CA GLN A 116 -7.260 14.307 6.136 1.00 0.00 C ATOM 1728 C GLN A 116 -6.542 13.201 5.347 1.00 0.00 C ATOM 1729 O GLN A 116 -7.066 12.099 5.185 1.00 0.00 O ATOM 1730 CB GLN A 116 -7.836 15.370 5.157 1.00 0.00 C ATOM 1731 CG GLN A 116 -8.663 14.802 3.979 1.00 0.00 C ATOM 1732 CD GLN A 116 -9.152 15.873 2.994 1.00 0.00 C ATOM 1733 OE1 GLN A 116 -9.409 17.014 3.371 1.00 0.00 O ATOM 1734 NE2 GLN A 116 -9.270 15.517 1.721 1.00 0.00 N ATOM 0 H GLN A 116 -6.152 15.933 6.896 1.00 0.00 H new ATOM 0 HA GLN A 116 -8.079 13.856 6.696 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -8.464 16.058 5.722 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -7.009 15.953 4.752 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -8.057 14.074 3.439 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -9.525 14.267 4.377 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -9.050 14.563 1.436 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -9.581 16.198 1.028 1.00 0.00 H new ATOM 1743 N GLN A 117 -5.328 13.529 4.881 1.00 0.00 N ATOM 1744 CA GLN A 117 -4.506 12.631 4.045 1.00 0.00 C ATOM 1745 C GLN A 117 -3.961 11.472 4.880 1.00 0.00 C ATOM 1746 O GLN A 117 -3.848 10.344 4.388 1.00 0.00 O ATOM 1747 CB GLN A 117 -3.354 13.434 3.400 1.00 0.00 C ATOM 1748 CG GLN A 117 -3.841 14.688 2.660 1.00 0.00 C ATOM 1749 CD GLN A 117 -2.712 15.565 2.154 1.00 0.00 C ATOM 1750 OE1 GLN A 117 -2.272 15.435 1.018 1.00 0.00 O ATOM 1751 NE2 GLN A 117 -2.229 16.454 3.005 1.00 0.00 N ATOM 0 H GLN A 117 -4.884 14.427 5.072 1.00 0.00 H new ATOM 0 HA GLN A 117 -5.127 12.210 3.254 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -2.645 13.727 4.174 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -2.817 12.792 2.702 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -4.462 14.385 1.817 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -4.474 15.272 3.328 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -2.624 16.530 3.942 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -1.461 17.064 2.724 1.00 0.00 H new ATOM 1760 N GLN A 118 -3.632 11.775 6.154 1.00 0.00 N ATOM 1761 CA GLN A 118 -3.212 10.770 7.137 1.00 0.00 C ATOM 1762 C GLN A 118 -4.310 9.704 7.293 1.00 0.00 C ATOM 1763 O GLN A 118 -4.055 8.514 7.120 1.00 0.00 O ATOM 1764 CB GLN A 118 -2.898 11.431 8.512 1.00 0.00 C ATOM 1765 CG GLN A 118 -2.365 10.442 9.564 1.00 0.00 C ATOM 1766 CD GLN A 118 -2.156 11.066 10.940 1.00 0.00 C ATOM 1767 OE1 GLN A 118 -3.062 11.077 11.774 1.00 0.00 O ATOM 1768 NE2 GLN A 118 -0.965 11.593 11.183 1.00 0.00 N ATOM 0 H GLN A 118 -3.652 12.725 6.524 1.00 0.00 H new ATOM 0 HA GLN A 118 -2.299 10.294 6.778 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -2.164 12.223 8.366 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -3.803 11.902 8.894 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -3.063 9.610 9.654 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -1.419 10.028 9.215 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -0.239 11.565 10.467 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -0.774 12.027 12.086 1.00 0.00 H new ATOM 1777 N ALA A 119 -5.541 10.175 7.564 1.00 0.00 N ATOM 1778 CA ALA A 119 -6.726 9.309 7.727 1.00 0.00 C ATOM 1779 C ALA A 119 -7.120 8.629 6.397 1.00 0.00 C ATOM 1780 O ALA A 119 -7.660 7.521 6.401 1.00 0.00 O ATOM 1781 CB ALA A 119 -7.902 10.128 8.288 1.00 0.00 C ATOM 0 H ALA A 119 -5.744 11.168 7.677 1.00 0.00 H new ATOM 0 HA ALA A 119 -6.474 8.519 8.434 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -8.772 9.482 8.405 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -7.626 10.544 9.257 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -8.142 10.938 7.600 1.00 0.00 H new ATOM 1787 N GLY A 120 -6.827 9.305 5.268 1.00 0.00 N ATOM 1788 CA GLY A 120 -7.191 8.827 3.933 1.00 0.00 C ATOM 1789 C GLY A 120 -6.460 7.552 3.545 1.00 0.00 C ATOM 1790 O GLY A 120 -7.088 6.532 3.240 1.00 0.00 O ATOM 0 H GLY A 120 -6.331 10.197 5.264 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -8.266 8.650 3.896 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -6.971 9.604 3.201 1.00 0.00 H new ATOM 1794 N TRP A 121 -5.125 7.614 3.595 1.00 0.00 N ATOM 1795 CA TRP A 121 -4.252 6.462 3.306 1.00 0.00 C ATOM 1796 C TRP A 121 -4.341 5.417 4.428 1.00 0.00 C ATOM 1797 O TRP A 121 -4.211 4.210 4.166 1.00 0.00 O ATOM 1798 CB TRP A 121 -2.798 6.926 3.124 1.00 0.00 C ATOM 1799 CG TRP A 121 -2.560 7.786 1.902 1.00 0.00 C ATOM 1800 CD1 TRP A 121 -3.120 9.002 1.610 1.00 0.00 C ATOM 1801 CD2 TRP A 121 -1.661 7.500 0.828 1.00 0.00 C ATOM 1802 NE1 TRP A 121 -2.629 9.472 0.422 1.00 0.00 N ATOM 1803 CE2 TRP A 121 -1.732 8.569 -0.076 1.00 0.00 C ATOM 1804 CE3 TRP A 121 -0.805 6.434 0.549 1.00 0.00 C ATOM 1805 CZ2 TRP A 121 -0.974 8.605 -1.241 1.00 0.00 C ATOM 1806 CZ3 TRP A 121 -0.059 6.469 -0.603 1.00 0.00 C ATOM 1807 CH2 TRP A 121 -0.145 7.551 -1.486 1.00 0.00 C ATOM 0 H TRP A 121 -4.615 8.464 3.837 1.00 0.00 H new ATOM 0 HA TRP A 121 -4.591 6.000 2.379 1.00 0.00 H new ATOM 0 HB2 TRP A 121 -2.495 7.484 4.010 1.00 0.00 H new ATOM 0 HB3 TRP A 121 -2.155 6.048 3.065 1.00 0.00 H new ATOM 0 HD1 TRP A 121 -3.843 9.515 2.227 1.00 0.00 H new ATOM 0 HE1 TRP A 121 -2.890 10.353 -0.020 1.00 0.00 H new ATOM 0 HE3 TRP A 121 -0.731 5.597 1.227 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 -1.040 9.437 -1.926 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 0.605 5.648 -0.831 1.00 0.00 H new ATOM 0 HH2 TRP A 121 0.459 7.551 -2.381 1.00 0.00 H new ATOM 1818 N GLN A 122 -4.568 5.896 5.684 1.00 0.00 N ATOM 1819 CA GLN A 122 -4.859 5.009 6.835 1.00 0.00 C ATOM 1820 C GLN A 122 -6.101 4.178 6.530 1.00 0.00 C ATOM 1821 O GLN A 122 -6.178 3.035 6.927 1.00 0.00 O ATOM 1822 CB GLN A 122 -5.056 5.800 8.163 1.00 0.00 C ATOM 1823 CG GLN A 122 -5.415 4.939 9.409 1.00 0.00 C ATOM 1824 CD GLN A 122 -4.356 3.884 9.783 1.00 0.00 C ATOM 1825 OE1 GLN A 122 -3.170 4.070 9.568 1.00 0.00 O ATOM 1826 NE2 GLN A 122 -4.777 2.773 10.356 1.00 0.00 N ATOM 0 H GLN A 122 -4.554 6.889 5.919 1.00 0.00 H new ATOM 0 HA GLN A 122 -3.996 4.359 6.979 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -4.140 6.352 8.376 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -5.845 6.537 8.013 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -5.566 5.601 10.261 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -6.363 4.434 9.225 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -5.773 2.634 10.528 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -4.107 2.053 10.627 1.00 0.00 H new ATOM 1835 N GLY A 123 -7.050 4.768 5.785 1.00 0.00 N ATOM 1836 CA GLY A 123 -8.235 4.053 5.327 1.00 0.00 C ATOM 1837 C GLY A 123 -7.891 2.774 4.559 1.00 0.00 C ATOM 1838 O GLY A 123 -8.492 1.739 4.802 1.00 0.00 O ATOM 0 H GLY A 123 -7.012 5.744 5.490 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -8.857 3.800 6.186 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -8.826 4.709 4.687 1.00 0.00 H new ATOM 1842 N ILE A 124 -6.875 2.848 3.679 1.00 0.00 N ATOM 1843 CA ILE A 124 -6.444 1.715 2.826 1.00 0.00 C ATOM 1844 C ILE A 124 -5.632 0.680 3.647 1.00 0.00 C ATOM 1845 O ILE A 124 -5.857 -0.536 3.514 1.00 0.00 O ATOM 1846 CB ILE A 124 -5.626 2.217 1.555 1.00 0.00 C ATOM 1847 CG1 ILE A 124 -6.565 2.915 0.501 1.00 0.00 C ATOM 1848 CG2 ILE A 124 -4.820 1.071 0.872 1.00 0.00 C ATOM 1849 CD1 ILE A 124 -7.234 4.212 0.950 1.00 0.00 C ATOM 0 H ILE A 124 -6.326 3.696 3.536 1.00 0.00 H new ATOM 0 HA ILE A 124 -7.342 1.219 2.457 1.00 0.00 H new ATOM 0 HB ILE A 124 -4.911 2.950 1.928 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -5.980 3.123 -0.395 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -7.344 2.208 0.215 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -4.281 1.468 0.012 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -4.109 0.652 1.584 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -5.506 0.291 0.542 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -7.855 4.600 0.142 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -7.856 4.017 1.824 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -6.470 4.946 1.205 1.00 0.00 H new ATOM 1861 N LEU A 125 -4.717 1.166 4.512 1.00 0.00 N ATOM 1862 CA LEU A 125 -3.825 0.296 5.312 1.00 0.00 C ATOM 1863 C LEU A 125 -4.618 -0.448 6.415 1.00 0.00 C ATOM 1864 O LEU A 125 -4.475 -1.663 6.597 1.00 0.00 O ATOM 1865 CB LEU A 125 -2.677 1.127 5.955 1.00 0.00 C ATOM 1866 CG LEU A 125 -1.691 0.313 6.864 1.00 0.00 C ATOM 1867 CD1 LEU A 125 -0.959 -0.788 6.057 1.00 0.00 C ATOM 1868 CD2 LEU A 125 -0.698 1.240 7.608 1.00 0.00 C ATOM 0 H LEU A 125 -4.575 2.163 4.676 1.00 0.00 H new ATOM 0 HA LEU A 125 -3.391 -0.443 4.638 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -2.104 1.602 5.159 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -3.118 1.927 6.550 1.00 0.00 H new ATOM 0 HG LEU A 125 -2.288 -0.187 7.627 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -0.283 -1.334 6.716 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -1.691 -1.478 5.636 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -0.387 -0.329 5.251 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -0.032 0.638 8.227 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -0.110 1.801 6.882 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -1.252 1.934 8.240 1.00 0.00 H new ATOM 1880 N ASP A 126 -5.421 0.319 7.161 1.00 0.00 N ATOM 1881 CA ASP A 126 -6.321 -0.190 8.224 1.00 0.00 C ATOM 1882 C ASP A 126 -7.313 -1.216 7.652 1.00 0.00 C ATOM 1883 O ASP A 126 -7.617 -2.232 8.291 1.00 0.00 O ATOM 1884 CB ASP A 126 -7.094 0.993 8.867 1.00 0.00 C ATOM 1885 CG ASP A 126 -7.797 0.639 10.172 1.00 0.00 C ATOM 1886 OD1 ASP A 126 -7.118 0.588 11.207 1.00 0.00 O ATOM 1887 OD2 ASP A 126 -9.024 0.415 10.173 1.00 0.00 O ATOM 0 H ASP A 126 -5.471 1.331 7.047 1.00 0.00 H new ATOM 0 HA ASP A 126 -5.716 -0.684 8.985 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -6.397 1.811 9.052 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -7.834 1.359 8.156 1.00 0.00 H new ATOM 1892 N ASN A 127 -7.806 -0.920 6.434 1.00 0.00 N ATOM 1893 CA ASN A 127 -8.656 -1.837 5.649 1.00 0.00 C ATOM 1894 C ASN A 127 -7.907 -3.125 5.280 1.00 0.00 C ATOM 1895 O ASN A 127 -8.498 -4.206 5.296 1.00 0.00 O ATOM 1896 CB ASN A 127 -9.155 -1.111 4.374 1.00 0.00 C ATOM 1897 CG ASN A 127 -9.791 -2.024 3.329 1.00 0.00 C ATOM 1898 OD1 ASN A 127 -10.976 -2.333 3.397 1.00 0.00 O ATOM 1899 ND2 ASN A 127 -9.003 -2.437 2.343 1.00 0.00 N ATOM 0 H ASN A 127 -7.625 -0.033 5.964 1.00 0.00 H new ATOM 0 HA ASN A 127 -9.510 -2.126 6.261 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -9.882 -0.353 4.665 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -8.315 -0.588 3.917 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -9.379 -3.034 1.606 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -8.022 -2.157 2.323 1.00 0.00 H new ATOM 1906 N PHE A 128 -6.615 -2.987 4.936 1.00 0.00 N ATOM 1907 CA PHE A 128 -5.751 -4.131 4.581 1.00 0.00 C ATOM 1908 C PHE A 128 -5.540 -5.044 5.807 1.00 0.00 C ATOM 1909 O PHE A 128 -5.401 -6.258 5.656 1.00 0.00 O ATOM 1910 CB PHE A 128 -4.394 -3.645 4.003 1.00 0.00 C ATOM 1911 CG PHE A 128 -3.420 -4.773 3.630 1.00 0.00 C ATOM 1912 CD1 PHE A 128 -3.706 -5.647 2.581 1.00 0.00 C ATOM 1913 CD2 PHE A 128 -2.234 -4.972 4.339 1.00 0.00 C ATOM 1914 CE1 PHE A 128 -2.840 -6.670 2.247 1.00 0.00 C ATOM 1915 CE2 PHE A 128 -1.370 -5.998 4.005 1.00 0.00 C ATOM 1916 CZ PHE A 128 -1.673 -6.848 2.958 1.00 0.00 C ATOM 0 H PHE A 128 -6.140 -2.085 4.896 1.00 0.00 H new ATOM 0 HA PHE A 128 -6.249 -4.712 3.805 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -4.587 -3.041 3.117 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -3.914 -2.995 4.734 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -4.620 -5.522 2.020 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -1.988 -4.315 5.160 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -3.078 -7.332 1.427 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -0.456 -6.136 4.563 1.00 0.00 H new ATOM 0 HZ PHE A 128 -0.997 -7.649 2.698 1.00 0.00 H new ATOM 1926 N LYS A 129 -5.529 -4.450 7.018 1.00 0.00 N ATOM 1927 CA LYS A 129 -5.495 -5.210 8.282 1.00 0.00 C ATOM 1928 C LYS A 129 -6.738 -6.115 8.393 1.00 0.00 C ATOM 1929 O LYS A 129 -6.624 -7.308 8.704 1.00 0.00 O ATOM 1930 CB LYS A 129 -5.392 -4.245 9.497 1.00 0.00 C ATOM 1931 CG LYS A 129 -5.360 -4.950 10.865 1.00 0.00 C ATOM 1932 CD LYS A 129 -5.174 -3.977 12.049 1.00 0.00 C ATOM 1933 CE LYS A 129 -5.228 -4.691 13.406 1.00 0.00 C ATOM 1934 NZ LYS A 129 -6.541 -5.332 13.646 1.00 0.00 N ATOM 0 H LYS A 129 -5.543 -3.438 7.146 1.00 0.00 H new ATOM 0 HA LYS A 129 -4.610 -5.846 8.286 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -4.491 -3.641 9.391 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -6.239 -3.559 9.474 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -6.288 -5.505 11.002 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -4.549 -5.679 10.872 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -4.217 -3.465 11.948 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -5.950 -3.212 12.013 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -4.443 -5.446 13.449 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -5.025 -3.974 14.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -6.608 -5.624 14.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -7.302 -4.656 13.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -6.637 -6.167 13.033 1.00 0.00 H new ATOM 1948 N ARG A 130 -7.920 -5.535 8.088 1.00 0.00 N ATOM 1949 CA ARG A 130 -9.200 -6.285 8.057 1.00 0.00 C ATOM 1950 C ARG A 130 -9.190 -7.330 6.943 1.00 0.00 C ATOM 1951 O ARG A 130 -9.716 -8.415 7.131 1.00 0.00 O ATOM 1952 CB ARG A 130 -10.439 -5.344 7.887 1.00 0.00 C ATOM 1953 CG ARG A 130 -10.936 -4.679 9.198 1.00 0.00 C ATOM 1954 CD ARG A 130 -9.908 -3.729 9.813 1.00 0.00 C ATOM 1955 NE ARG A 130 -10.293 -3.289 11.155 1.00 0.00 N ATOM 1956 CZ ARG A 130 -9.523 -2.546 11.953 1.00 0.00 C ATOM 1957 NH1 ARG A 130 -8.313 -2.137 11.556 1.00 0.00 N ATOM 1958 NH2 ARG A 130 -9.975 -2.199 13.140 1.00 0.00 N ATOM 0 H ARG A 130 -8.016 -4.546 7.859 1.00 0.00 H new ATOM 0 HA ARG A 130 -9.292 -6.784 9.022 1.00 0.00 H new ATOM 0 HB2 ARG A 130 -10.187 -4.561 7.172 1.00 0.00 H new ATOM 0 HB3 ARG A 130 -11.258 -5.919 7.455 1.00 0.00 H new ATOM 0 HG2 ARG A 130 -11.855 -4.129 8.994 1.00 0.00 H new ATOM 0 HG3 ARG A 130 -11.183 -5.456 9.922 1.00 0.00 H new ATOM 0 HD2 ARG A 130 -8.939 -4.226 9.860 1.00 0.00 H new ATOM 0 HD3 ARG A 130 -9.789 -2.859 9.168 1.00 0.00 H new ATOM 0 HE ARG A 130 -11.210 -3.569 11.503 1.00 0.00 H new ATOM 0 HH11 ARG A 130 -7.966 -2.392 10.631 1.00 0.00 H new ATOM 0 HH12 ARG A 130 -7.737 -1.570 12.178 1.00 0.00 H new ATOM 0 HH21 ARG A 130 -10.903 -2.498 13.440 1.00 0.00 H new ATOM 0 HH22 ARG A 130 -9.397 -1.631 13.760 1.00 0.00 H new ATOM 1972 N TYR A 131 -8.582 -6.984 5.799 1.00 0.00 N ATOM 1973 CA TYR A 131 -8.513 -7.853 4.620 1.00 0.00 C ATOM 1974 C TYR A 131 -7.815 -9.175 4.966 1.00 0.00 C ATOM 1975 O TYR A 131 -8.373 -10.246 4.752 1.00 0.00 O ATOM 1976 CB TYR A 131 -7.765 -7.119 3.464 1.00 0.00 C ATOM 1977 CG TYR A 131 -7.468 -8.004 2.240 1.00 0.00 C ATOM 1978 CD1 TYR A 131 -8.465 -8.294 1.311 1.00 0.00 C ATOM 1979 CD2 TYR A 131 -6.203 -8.577 2.042 1.00 0.00 C ATOM 1980 CE1 TYR A 131 -8.213 -9.111 0.238 1.00 0.00 C ATOM 1981 CE2 TYR A 131 -5.956 -9.402 0.968 1.00 0.00 C ATOM 1982 CZ TYR A 131 -6.967 -9.661 0.072 1.00 0.00 C ATOM 1983 OH TYR A 131 -6.734 -10.484 -0.994 1.00 0.00 O ATOM 0 H TYR A 131 -8.121 -6.084 5.667 1.00 0.00 H new ATOM 0 HA TYR A 131 -9.526 -8.083 4.290 1.00 0.00 H new ATOM 0 HB2 TYR A 131 -8.363 -6.266 3.144 1.00 0.00 H new ATOM 0 HB3 TYR A 131 -6.825 -6.723 3.849 1.00 0.00 H new ATOM 0 HD1 TYR A 131 -9.450 -7.870 1.437 1.00 0.00 H new ATOM 0 HD2 TYR A 131 -5.409 -8.367 2.744 1.00 0.00 H new ATOM 0 HE1 TYR A 131 -8.995 -9.321 -0.476 1.00 0.00 H new ATOM 0 HE2 TYR A 131 -4.979 -9.841 0.830 1.00 0.00 H new ATOM 0 HH TYR A 131 -5.813 -10.817 -0.955 1.00 0.00 H new ATOM 1993 N VAL A 132 -6.601 -9.059 5.520 1.00 0.00 N ATOM 1994 CA VAL A 132 -5.743 -10.206 5.852 1.00 0.00 C ATOM 1995 C VAL A 132 -6.402 -11.102 6.928 1.00 0.00 C ATOM 1996 O VAL A 132 -6.516 -12.321 6.738 1.00 0.00 O ATOM 1997 CB VAL A 132 -4.313 -9.711 6.319 1.00 0.00 C ATOM 1998 CG1 VAL A 132 -3.397 -10.878 6.747 1.00 0.00 C ATOM 1999 CG2 VAL A 132 -3.629 -8.873 5.214 1.00 0.00 C ATOM 0 H VAL A 132 -6.182 -8.159 5.753 1.00 0.00 H new ATOM 0 HA VAL A 132 -5.618 -10.810 4.953 1.00 0.00 H new ATOM 0 HB VAL A 132 -4.472 -9.082 7.195 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -2.429 -10.485 7.058 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -3.855 -11.414 7.578 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -3.259 -11.559 5.907 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -2.649 -8.545 5.560 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -3.513 -9.480 4.316 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -4.243 -8.002 4.986 1.00 0.00 H new ATOM 2009 N GLU A 133 -6.874 -10.480 8.024 1.00 0.00 N ATOM 2010 CA GLU A 133 -7.418 -11.208 9.198 1.00 0.00 C ATOM 2011 C GLU A 133 -8.805 -11.841 8.902 1.00 0.00 C ATOM 2012 O GLU A 133 -9.128 -12.906 9.441 1.00 0.00 O ATOM 2013 CB GLU A 133 -7.491 -10.254 10.422 1.00 0.00 C ATOM 2014 CG GLU A 133 -6.122 -9.654 10.837 1.00 0.00 C ATOM 2015 CD GLU A 133 -6.218 -8.584 11.946 1.00 0.00 C ATOM 2016 OE1 GLU A 133 -7.074 -7.678 11.847 1.00 0.00 O ATOM 2017 OE2 GLU A 133 -5.430 -8.625 12.912 1.00 0.00 O ATOM 0 H GLU A 133 -6.892 -9.465 8.126 1.00 0.00 H new ATOM 0 HA GLU A 133 -6.741 -12.031 9.426 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -8.179 -9.440 10.194 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -7.910 -10.798 11.269 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -5.472 -10.460 11.178 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -5.649 -9.213 9.960 1.00 0.00 H new ATOM 2024 N ALA A 134 -9.599 -11.205 8.018 1.00 0.00 N ATOM 2025 CA ALA A 134 -10.955 -11.698 7.662 1.00 0.00 C ATOM 2026 C ALA A 134 -10.861 -12.765 6.571 1.00 0.00 C ATOM 2027 O ALA A 134 -11.688 -13.680 6.520 1.00 0.00 O ATOM 2028 CB ALA A 134 -11.876 -10.551 7.223 1.00 0.00 C ATOM 0 H ALA A 134 -9.329 -10.348 7.535 1.00 0.00 H new ATOM 0 HA ALA A 134 -11.394 -12.145 8.554 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -12.859 -10.950 6.971 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -11.974 -9.832 8.036 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -11.450 -10.056 6.350 1.00 0.00 H new ATOM 2034 N ALA A 135 -9.842 -12.631 5.697 1.00 0.00 N ATOM 2035 CA ALA A 135 -9.477 -13.676 4.723 1.00 0.00 C ATOM 2036 C ALA A 135 -9.110 -14.963 5.469 1.00 0.00 C ATOM 2037 O ALA A 135 -9.516 -16.065 5.076 1.00 0.00 O ATOM 2038 CB ALA A 135 -8.297 -13.213 3.853 1.00 0.00 C ATOM 0 H ALA A 135 -9.253 -11.800 5.648 1.00 0.00 H new ATOM 0 HA ALA A 135 -10.329 -13.867 4.071 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -8.041 -13.997 3.140 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -8.576 -12.308 3.313 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -7.436 -13.005 4.488 1.00 0.00 H new ATOM 2044 N GLY A 136 -8.358 -14.781 6.576 1.00 0.00 N ATOM 2045 CA GLY A 136 -7.933 -15.877 7.430 1.00 0.00 C ATOM 2046 C GLY A 136 -6.907 -16.755 6.743 1.00 0.00 C ATOM 2047 O GLY A 136 -7.221 -17.855 6.289 1.00 0.00 O ATOM 0 H GLY A 136 -8.036 -13.865 6.890 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -7.511 -15.478 8.352 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -8.798 -16.478 7.709 1.00 0.00 H new ATOM 2051 N LEU A 137 -5.673 -16.250 6.661 1.00 0.00 N ATOM 2052 CA LEU A 137 -4.542 -16.943 6.005 1.00 0.00 C ATOM 2053 C LEU A 137 -3.798 -17.854 7.019 1.00 0.00 C ATOM 2054 O LEU A 137 -2.622 -18.196 6.825 1.00 0.00 O ATOM 2055 CB LEU A 137 -3.587 -15.882 5.383 1.00 0.00 C ATOM 2056 CG LEU A 137 -4.266 -14.749 4.538 1.00 0.00 C ATOM 2057 CD1 LEU A 137 -3.231 -13.702 4.054 1.00 0.00 C ATOM 2058 CD2 LEU A 137 -5.088 -15.334 3.364 1.00 0.00 C ATOM 0 H LEU A 137 -5.421 -15.341 7.049 1.00 0.00 H new ATOM 0 HA LEU A 137 -4.917 -17.586 5.209 1.00 0.00 H new ATOM 0 HB2 LEU A 137 -3.022 -15.415 6.190 1.00 0.00 H new ATOM 0 HB3 LEU A 137 -2.868 -16.399 4.747 1.00 0.00 H new ATOM 0 HG LEU A 137 -4.966 -14.227 5.191 1.00 0.00 H new ATOM 0 HD11 LEU A 137 -3.737 -12.932 3.472 1.00 0.00 H new ATOM 0 HD12 LEU A 137 -2.746 -13.245 4.916 1.00 0.00 H new ATOM 0 HD13 LEU A 137 -2.481 -14.192 3.433 1.00 0.00 H new ATOM 0 HD21 LEU A 137 -5.545 -14.521 2.799 1.00 0.00 H new ATOM 0 HD22 LEU A 137 -4.431 -15.906 2.709 1.00 0.00 H new ATOM 0 HD23 LEU A 137 -5.868 -15.987 3.756 1.00 0.00 H new