USER MOD reduce.3.24.130724 H: found=0, std=0, add=1143, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1141 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 117 SER OG : rot -114:sc= 0.867 USER MOD Set 1.2: A 130 HIS : no HE2:sc= -11.8! C(o=-11!,f=-21!) USER MOD Set 2.1: A 97 GLN : amide:sc= -2.13 K(o=-2.3,f=-4.3!) USER MOD Set 2.2: A 99 SER OG : rot 170:sc= -0.145 USER MOD Set 3.1: A 52 MET CE :methyl 180:sc= -0.213 (180deg=-0.213) USER MOD Set 3.2: A 137 TYR OH : rot -2:sc= -0.143 USER MOD Set 4.1: A 6 SER OG : rot 163:sc= -4.29! USER MOD Set 4.2: A 8 HIS : no HD1:sc= -5.05! C(o=-9.3!,f=-16!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.885) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.389 X(o=-0.39,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 151:sc= -0.166 (180deg=-0.956) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.00366 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -167:sc= -0.0663 (180deg=-0.282) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN :FLIP amide:sc= -3.51! C(o=-5.7!,f=-3.5!) USER MOD Single : A 40 THR OG1 : rot -50:sc= -0.474 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.0753 USER MOD Single : A 46 ASN :FLIP amide:sc= -0.462 F(o=-1.8,f=-0.46) USER MOD Single : A 50 LYS NZ :NH3+ -125:sc= -0.406 (180deg=-1.53) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.626 USER MOD Single : A 54 SER OG : rot 180:sc=-0.00669 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -146:sc= -0.0625 (180deg=-0.671) USER MOD Single : A 65 ASN : amide:sc= -0.0866 X(o=-0.087,f=-0.5) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.161 F(o=-1.7!,f=-0.16) USER MOD Single : A 69 ASN :FLIP amide:sc= -4.63! C(o=-5.5!,f=-4.6!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= -0.468 K(o=-0.47,f=-2.1) USER MOD Single : A 76 THR OG1 : rot -175:sc= -0.917 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.117 USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ -160:sc= 0.607 (180deg=0.375) USER MOD Single : A 95 THR OG1 : rot -61:sc= 0.667 USER MOD Single : A 96 THR OG1 : rot -160:sc=-0.00717 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ -121:sc= 0.242 (180deg=-1.97!) USER MOD Single : A 107 ASN :FLIP amide:sc= -0.585 F(o=-2.5!,f=-0.59) USER MOD Single : A 109 THR OG1 : rot 70:sc= 0.545 USER MOD Single : A 113 ASN : amide:sc= -0.0846 K(o=-0.085,f=-2.3!) USER MOD Single : A 116 LYS NZ :NH3+ -147:sc= -0.644 (180deg=-1.36) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot -129:sc= -1.73! USER MOD Single : A 123 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 124 THR OG1 : rot 180:sc= 0.341 USER MOD Single : A 125 THR OG1 : rot 180:sc= -0.102 USER MOD Single : A 126 ASN :FLIP amide:sc= -1.75 F(o=-6.4!,f=-1.8) USER MOD Single : A 134 LYS NZ :NH3+ 165:sc= -0.0141 (180deg=-0.281) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.384 17.648 4.745 1.00 0.00 N ATOM 2 CA GLY A 1 -23.578 17.055 3.684 1.00 0.00 C ATOM 3 C GLY A 1 -22.319 16.411 4.251 1.00 0.00 C ATOM 4 O GLY A 1 -21.212 16.917 4.065 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.236 18.080 4.334 1.00 0.00 H new ATOM 0 H2 GLY A 1 -24.663 16.910 5.423 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.829 18.377 5.236 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -24.165 16.307 3.151 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.304 17.821 2.959 1.00 0.00 H new ATOM 8 N ALA A 2 -22.494 15.291 4.945 1.00 0.00 N ATOM 9 CA ALA A 2 -21.364 14.585 5.537 1.00 0.00 C ATOM 10 C ALA A 2 -20.534 13.896 4.458 1.00 0.00 C ATOM 11 O ALA A 2 -20.819 12.762 4.072 1.00 0.00 O ATOM 12 CB ALA A 2 -21.866 13.544 6.540 1.00 0.00 C ATOM 0 H ALA A 2 -23.401 14.855 5.110 1.00 0.00 H new ATOM 0 HA ALA A 2 -20.736 15.313 6.051 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -21.016 13.021 6.978 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -22.431 14.041 7.328 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -22.509 12.827 6.029 1.00 0.00 H new ATOM 18 N MET A 3 -19.506 14.588 3.978 1.00 0.00 N ATOM 19 CA MET A 3 -18.637 14.034 2.944 1.00 0.00 C ATOM 20 C MET A 3 -17.511 13.221 3.572 1.00 0.00 C ATOM 21 O MET A 3 -16.460 13.760 3.918 1.00 0.00 O ATOM 22 CB MET A 3 -18.044 15.164 2.100 1.00 0.00 C ATOM 23 CG MET A 3 -17.829 16.399 2.977 1.00 0.00 C ATOM 24 SD MET A 3 -16.420 17.347 2.349 1.00 0.00 S ATOM 25 CE MET A 3 -16.450 18.653 3.601 1.00 0.00 C ATOM 0 H MET A 3 -19.255 15.527 4.285 1.00 0.00 H new ATOM 0 HA MET A 3 -19.232 13.379 2.307 1.00 0.00 H new ATOM 0 HB2 MET A 3 -17.097 14.847 1.662 1.00 0.00 H new ATOM 0 HB3 MET A 3 -18.713 15.404 1.273 1.00 0.00 H new ATOM 0 HG2 MET A 3 -18.726 17.018 2.978 1.00 0.00 H new ATOM 0 HG3 MET A 3 -17.648 16.098 4.009 1.00 0.00 H new ATOM 0 HE1 MET A 3 -15.648 19.364 3.404 1.00 0.00 H new ATOM 0 HE2 MET A 3 -17.410 19.169 3.566 1.00 0.00 H new ATOM 0 HE3 MET A 3 -16.311 18.213 4.589 1.00 0.00 H new ATOM 35 N GLU A 4 -17.740 11.920 3.717 1.00 0.00 N ATOM 36 CA GLU A 4 -16.742 11.036 4.309 1.00 0.00 C ATOM 37 C GLU A 4 -15.920 10.354 3.220 1.00 0.00 C ATOM 38 O GLU A 4 -16.459 9.638 2.377 1.00 0.00 O ATOM 39 CB GLU A 4 -17.429 9.976 5.176 1.00 0.00 C ATOM 40 CG GLU A 4 -18.898 9.838 4.764 1.00 0.00 C ATOM 41 CD GLU A 4 -19.565 8.730 5.570 1.00 0.00 C ATOM 42 OE1 GLU A 4 -20.168 9.043 6.584 1.00 0.00 O ATOM 43 OE2 GLU A 4 -19.466 7.585 5.162 1.00 0.00 O ATOM 0 H GLU A 4 -18.603 11.456 3.434 1.00 0.00 H new ATOM 0 HA GLU A 4 -16.076 11.634 4.931 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -16.920 9.018 5.067 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -17.362 10.254 6.228 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -19.420 10.781 4.926 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -18.966 9.615 3.699 1.00 0.00 H new ATOM 50 N LYS A 5 -14.610 10.585 3.243 1.00 0.00 N ATOM 51 CA LYS A 5 -13.722 9.990 2.253 1.00 0.00 C ATOM 52 C LYS A 5 -13.078 8.720 2.802 1.00 0.00 C ATOM 53 O LYS A 5 -12.221 8.775 3.683 1.00 0.00 O ATOM 54 CB LYS A 5 -12.633 10.990 1.866 1.00 0.00 C ATOM 55 CG LYS A 5 -11.912 10.494 0.611 1.00 0.00 C ATOM 56 CD LYS A 5 -12.386 11.284 -0.612 1.00 0.00 C ATOM 57 CE LYS A 5 -11.698 12.651 -0.634 1.00 0.00 C ATOM 58 NZ LYS A 5 -12.652 13.680 -1.134 1.00 0.00 N ATOM 0 H LYS A 5 -14.144 11.176 3.932 1.00 0.00 H new ATOM 0 HA LYS A 5 -14.310 9.732 1.372 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -13.072 11.971 1.683 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -11.923 11.107 2.685 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -10.835 10.607 0.732 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -12.107 9.431 0.466 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -12.156 10.734 -1.525 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -13.468 11.410 -0.580 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -11.355 12.913 0.367 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.816 12.616 -1.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -12.184 14.609 -1.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -12.958 13.431 -2.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -13.480 13.720 -0.506 1.00 0.00 H new ATOM 72 N SER A 6 -13.496 7.576 2.273 1.00 0.00 N ATOM 73 CA SER A 6 -12.949 6.299 2.717 1.00 0.00 C ATOM 74 C SER A 6 -11.827 5.851 1.795 1.00 0.00 C ATOM 75 O SER A 6 -11.542 6.496 0.785 1.00 0.00 O ATOM 76 CB SER A 6 -14.038 5.234 2.732 1.00 0.00 C ATOM 77 OG SER A 6 -13.569 4.085 2.041 1.00 0.00 O ATOM 0 H SER A 6 -14.205 7.506 1.543 1.00 0.00 H new ATOM 0 HA SER A 6 -12.556 6.431 3.725 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.299 4.976 3.758 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.944 5.614 2.259 1.00 0.00 H new ATOM 0 HG SER A 6 -14.132 3.315 2.267 1.00 0.00 H new ATOM 83 N LEU A 7 -11.191 4.743 2.147 1.00 0.00 N ATOM 84 CA LEU A 7 -10.096 4.224 1.340 1.00 0.00 C ATOM 85 C LEU A 7 -10.555 3.976 -0.096 1.00 0.00 C ATOM 86 O LEU A 7 -10.055 4.600 -1.032 1.00 0.00 O ATOM 87 CB LEU A 7 -9.576 2.913 1.944 1.00 0.00 C ATOM 88 CG LEU A 7 -8.229 3.144 2.639 1.00 0.00 C ATOM 89 CD1 LEU A 7 -7.968 2.009 3.633 1.00 0.00 C ATOM 90 CD2 LEU A 7 -7.109 3.161 1.595 1.00 0.00 C ATOM 0 H LEU A 7 -11.411 4.191 2.976 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.296 4.964 1.331 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -10.300 2.522 2.659 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.465 2.163 1.161 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.254 4.098 3.165 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.011 2.172 4.128 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -8.763 1.988 4.378 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.944 1.058 3.101 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.152 3.325 2.091 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.086 2.206 1.070 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.290 3.964 0.880 1.00 0.00 H new ATOM 102 N HIS A 8 -11.510 3.069 -0.263 1.00 0.00 N ATOM 103 CA HIS A 8 -12.023 2.750 -1.594 1.00 0.00 C ATOM 104 C HIS A 8 -12.485 4.015 -2.302 1.00 0.00 C ATOM 105 O HIS A 8 -12.203 4.215 -3.483 1.00 0.00 O ATOM 106 CB HIS A 8 -13.183 1.762 -1.482 1.00 0.00 C ATOM 107 CG HIS A 8 -14.103 2.183 -0.367 1.00 0.00 C ATOM 108 ND1 HIS A 8 -15.041 3.191 -0.523 1.00 0.00 N ATOM 109 CD2 HIS A 8 -14.249 1.730 0.923 1.00 0.00 C ATOM 110 CE1 HIS A 8 -15.704 3.312 0.642 1.00 0.00 C ATOM 111 NE2 HIS A 8 -15.261 2.446 1.557 1.00 0.00 N ATOM 0 H HIS A 8 -11.943 2.545 0.497 1.00 0.00 H new ATOM 0 HA HIS A 8 -11.222 2.296 -2.178 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -13.731 1.722 -2.423 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -12.802 0.759 -1.292 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -13.668 0.940 1.375 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -16.498 4.023 0.816 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -15.593 2.333 2.515 1.00 0.00 H new ATOM 120 N GLU A 9 -13.193 4.869 -1.575 1.00 0.00 N ATOM 121 CA GLU A 9 -13.681 6.115 -2.149 1.00 0.00 C ATOM 122 C GLU A 9 -12.564 6.823 -2.911 1.00 0.00 C ATOM 123 O GLU A 9 -12.763 7.300 -4.029 1.00 0.00 O ATOM 124 CB GLU A 9 -14.207 7.026 -1.039 1.00 0.00 C ATOM 125 CG GLU A 9 -14.996 8.187 -1.652 1.00 0.00 C ATOM 126 CD GLU A 9 -16.480 8.030 -1.338 1.00 0.00 C ATOM 127 OE1 GLU A 9 -17.117 7.209 -1.978 1.00 0.00 O ATOM 128 OE2 GLU A 9 -16.957 8.732 -0.462 1.00 0.00 O ATOM 0 H GLU A 9 -13.440 4.724 -0.596 1.00 0.00 H new ATOM 0 HA GLU A 9 -14.490 5.887 -2.843 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -14.845 6.458 -0.361 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -13.376 7.411 -0.447 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -14.630 9.135 -1.257 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -14.844 8.211 -2.731 1.00 0.00 H new ATOM 135 N LYS A 10 -11.386 6.885 -2.298 1.00 0.00 N ATOM 136 CA LYS A 10 -10.245 7.536 -2.929 1.00 0.00 C ATOM 137 C LYS A 10 -9.777 6.737 -4.141 1.00 0.00 C ATOM 138 O LYS A 10 -9.633 7.281 -5.236 1.00 0.00 O ATOM 139 CB LYS A 10 -9.095 7.665 -1.927 1.00 0.00 C ATOM 140 CG LYS A 10 -8.150 8.785 -2.369 1.00 0.00 C ATOM 141 CD LYS A 10 -8.500 10.071 -1.619 1.00 0.00 C ATOM 142 CE LYS A 10 -7.817 11.261 -2.296 1.00 0.00 C ATOM 143 NZ LYS A 10 -7.978 12.475 -1.447 1.00 0.00 N ATOM 0 H LYS A 10 -11.198 6.496 -1.374 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.553 8.529 -3.257 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.488 7.879 -0.933 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.551 6.723 -1.859 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.116 8.504 -2.168 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.234 8.944 -3.444 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.580 10.216 -1.609 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.179 9.997 -0.580 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.759 11.048 -2.448 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.253 11.432 -3.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.219 13.289 -2.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.739 12.317 -0.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.088 12.667 -0.944 1.00 0.00 H new ATOM 157 N LEU A 11 -9.541 5.445 -3.937 1.00 0.00 N ATOM 158 CA LEU A 11 -9.087 4.582 -5.024 1.00 0.00 C ATOM 159 C LEU A 11 -10.120 4.536 -6.140 1.00 0.00 C ATOM 160 O LEU A 11 -9.810 4.168 -7.272 1.00 0.00 O ATOM 161 CB LEU A 11 -8.827 3.168 -4.507 1.00 0.00 C ATOM 162 CG LEU A 11 -7.981 3.239 -3.234 1.00 0.00 C ATOM 163 CD1 LEU A 11 -7.663 1.827 -2.746 1.00 0.00 C ATOM 164 CD2 LEU A 11 -6.677 3.989 -3.519 1.00 0.00 C ATOM 0 H LEU A 11 -9.655 4.975 -3.039 1.00 0.00 H new ATOM 0 HA LEU A 11 -8.159 4.995 -5.419 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.772 2.665 -4.301 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.312 2.580 -5.267 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.540 3.770 -2.463 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -7.060 1.882 -1.839 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.592 1.298 -2.533 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.109 1.292 -3.517 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.078 4.037 -2.609 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.118 3.465 -4.294 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.905 5.000 -3.857 1.00 0.00 H new ATOM 176 N LYS A 12 -11.349 4.906 -5.812 1.00 0.00 N ATOM 177 CA LYS A 12 -12.421 4.896 -6.794 1.00 0.00 C ATOM 178 C LYS A 12 -12.427 6.188 -7.605 1.00 0.00 C ATOM 179 O LYS A 12 -12.640 6.170 -8.818 1.00 0.00 O ATOM 180 CB LYS A 12 -13.765 4.731 -6.091 1.00 0.00 C ATOM 181 CG LYS A 12 -14.062 3.241 -5.869 1.00 0.00 C ATOM 182 CD LYS A 12 -15.092 3.053 -4.743 1.00 0.00 C ATOM 183 CE LYS A 12 -16.499 3.313 -5.286 1.00 0.00 C ATOM 184 NZ LYS A 12 -17.072 2.037 -5.799 1.00 0.00 N ATOM 0 H LYS A 12 -11.627 5.215 -4.880 1.00 0.00 H new ATOM 0 HA LYS A 12 -12.255 4.059 -7.473 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -13.751 5.254 -5.135 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -14.556 5.183 -6.690 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -14.440 2.799 -6.791 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -13.141 2.715 -5.617 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -15.027 2.041 -4.342 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -14.876 3.736 -3.921 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -17.135 3.721 -4.500 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -16.462 4.055 -6.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -18.028 2.210 -6.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -16.468 1.667 -6.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -17.120 1.343 -5.026 1.00 0.00 H new ATOM 198 N GLN A 13 -12.199 7.307 -6.929 1.00 0.00 N ATOM 199 CA GLN A 13 -12.186 8.600 -7.600 1.00 0.00 C ATOM 200 C GLN A 13 -10.908 8.763 -8.415 1.00 0.00 C ATOM 201 O GLN A 13 -10.894 9.450 -9.436 1.00 0.00 O ATOM 202 CB GLN A 13 -12.284 9.720 -6.566 1.00 0.00 C ATOM 203 CG GLN A 13 -13.710 9.787 -6.016 1.00 0.00 C ATOM 204 CD GLN A 13 -13.833 10.937 -5.021 1.00 0.00 C ATOM 205 OE1 GLN A 13 -14.829 11.660 -5.025 1.00 0.00 O ATOM 206 NE2 GLN A 13 -12.872 11.150 -4.163 1.00 0.00 N ATOM 0 H GLN A 13 -12.022 7.346 -5.925 1.00 0.00 H new ATOM 0 HA GLN A 13 -13.041 8.653 -8.274 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -11.578 9.542 -5.754 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -12.014 10.673 -7.021 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -14.418 9.926 -6.833 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -13.965 8.846 -5.529 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -12.047 10.550 -4.161 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -12.946 11.917 -3.494 1.00 0.00 H new ATOM 215 N ASP A 14 -9.836 8.123 -7.958 1.00 0.00 N ATOM 216 CA ASP A 14 -8.557 8.202 -8.654 1.00 0.00 C ATOM 217 C ASP A 14 -8.448 7.088 -9.693 1.00 0.00 C ATOM 218 O ASP A 14 -8.651 5.915 -9.381 1.00 0.00 O ATOM 219 CB ASP A 14 -7.411 8.086 -7.650 1.00 0.00 C ATOM 220 CG ASP A 14 -6.817 9.462 -7.373 1.00 0.00 C ATOM 221 OD1 ASP A 14 -6.366 10.093 -8.316 1.00 0.00 O ATOM 222 OD2 ASP A 14 -6.820 9.866 -6.222 1.00 0.00 O ATOM 0 H ASP A 14 -9.827 7.548 -7.115 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.495 9.164 -9.162 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.773 7.644 -6.722 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.641 7.421 -8.040 1.00 0.00 H new ATOM 227 N LYS A 15 -8.131 7.462 -10.929 1.00 0.00 N ATOM 228 CA LYS A 15 -8.003 6.485 -12.005 1.00 0.00 C ATOM 229 C LYS A 15 -6.644 5.796 -11.951 1.00 0.00 C ATOM 230 O LYS A 15 -6.495 4.655 -12.389 1.00 0.00 O ATOM 231 CB LYS A 15 -8.171 7.179 -13.357 1.00 0.00 C ATOM 232 CG LYS A 15 -9.626 7.650 -13.521 1.00 0.00 C ATOM 233 CD LYS A 15 -9.689 9.175 -13.683 1.00 0.00 C ATOM 234 CE LYS A 15 -9.243 9.559 -15.094 1.00 0.00 C ATOM 235 NZ LYS A 15 -10.178 8.956 -16.087 1.00 0.00 N ATOM 0 H LYS A 15 -7.959 8.428 -11.209 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.781 5.732 -11.880 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.493 8.030 -13.427 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.907 6.495 -14.163 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.073 7.168 -14.391 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -10.211 7.347 -12.653 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.704 9.528 -13.503 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.048 9.656 -12.944 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.230 10.644 -15.201 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.227 9.209 -15.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.215 9.554 -16.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.844 8.006 -16.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.129 8.887 -15.671 1.00 0.00 H new ATOM 249 N ARG A 16 -5.657 6.497 -11.411 1.00 0.00 N ATOM 250 CA ARG A 16 -4.312 5.945 -11.302 1.00 0.00 C ATOM 251 C ARG A 16 -4.347 4.609 -10.562 1.00 0.00 C ATOM 252 O ARG A 16 -3.510 3.738 -10.795 1.00 0.00 O ATOM 253 CB ARG A 16 -3.399 6.921 -10.555 1.00 0.00 C ATOM 254 CG ARG A 16 -3.806 8.366 -10.876 1.00 0.00 C ATOM 255 CD ARG A 16 -2.800 9.339 -10.262 1.00 0.00 C ATOM 256 NE ARG A 16 -2.792 10.591 -11.011 1.00 0.00 N ATOM 257 CZ ARG A 16 -3.642 11.573 -10.722 1.00 0.00 C ATOM 258 NH1 ARG A 16 -4.514 11.423 -9.761 1.00 0.00 N ATOM 259 NH2 ARG A 16 -3.605 12.686 -11.400 1.00 0.00 N ATOM 0 H ARG A 16 -5.760 7.443 -11.043 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.921 5.787 -12.307 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.465 6.745 -9.481 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.361 6.754 -10.842 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.851 8.509 -11.956 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.804 8.567 -10.486 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.057 9.531 -9.220 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -1.804 8.896 -10.268 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.122 10.716 -11.770 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -4.544 10.552 -9.231 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.165 12.177 -9.541 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.925 12.803 -12.151 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.256 13.439 -11.179 1.00 0.00 H new ATOM 273 N PHE A 17 -5.320 4.463 -9.664 1.00 0.00 N ATOM 274 CA PHE A 17 -5.458 3.235 -8.882 1.00 0.00 C ATOM 275 C PHE A 17 -6.638 2.399 -9.371 1.00 0.00 C ATOM 276 O PHE A 17 -7.160 1.548 -8.642 1.00 0.00 O ATOM 277 CB PHE A 17 -5.639 3.585 -7.405 1.00 0.00 C ATOM 278 CG PHE A 17 -4.693 4.708 -7.035 1.00 0.00 C ATOM 279 CD1 PHE A 17 -3.328 4.600 -7.331 1.00 0.00 C ATOM 280 CD2 PHE A 17 -5.179 5.853 -6.391 1.00 0.00 C ATOM 281 CE1 PHE A 17 -2.453 5.639 -6.986 1.00 0.00 C ATOM 282 CE2 PHE A 17 -4.303 6.890 -6.048 1.00 0.00 C ATOM 283 CZ PHE A 17 -2.941 6.782 -6.342 1.00 0.00 C ATOM 0 H PHE A 17 -6.021 5.175 -9.460 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.552 2.643 -9.008 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -6.669 3.885 -7.215 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.442 2.710 -6.786 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.950 3.717 -7.825 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.230 5.936 -6.159 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.401 5.558 -7.217 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.680 7.774 -5.556 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.265 7.580 -6.072 1.00 0.00 H new ATOM 293 N SER A 18 -7.044 2.633 -10.611 1.00 0.00 N ATOM 294 CA SER A 18 -8.148 1.886 -11.193 1.00 0.00 C ATOM 295 C SER A 18 -7.840 0.394 -11.166 1.00 0.00 C ATOM 296 O SER A 18 -8.703 -0.435 -10.851 1.00 0.00 O ATOM 297 CB SER A 18 -8.369 2.340 -12.638 1.00 0.00 C ATOM 298 OG SER A 18 -8.998 1.295 -13.368 1.00 0.00 O ATOM 0 H SER A 18 -6.628 3.330 -11.229 1.00 0.00 H new ATOM 0 HA SER A 18 -9.051 2.073 -10.611 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.988 3.237 -12.659 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.416 2.599 -13.100 1.00 0.00 H new ATOM 0 HG SER A 18 -9.142 1.583 -14.293 1.00 0.00 H new ATOM 304 N THR A 19 -6.598 0.053 -11.487 1.00 0.00 N ATOM 305 CA THR A 19 -6.194 -1.342 -11.489 1.00 0.00 C ATOM 306 C THR A 19 -6.475 -1.960 -10.126 1.00 0.00 C ATOM 307 O THR A 19 -7.109 -3.010 -10.027 1.00 0.00 O ATOM 308 CB THR A 19 -4.705 -1.464 -11.826 1.00 0.00 C ATOM 309 OG1 THR A 19 -4.412 -0.664 -12.963 1.00 0.00 O ATOM 310 CG2 THR A 19 -4.364 -2.924 -12.130 1.00 0.00 C ATOM 0 H THR A 19 -5.865 0.714 -11.745 1.00 0.00 H new ATOM 0 HA THR A 19 -6.766 -1.875 -12.248 1.00 0.00 H new ATOM 0 HB THR A 19 -4.113 -1.124 -10.976 1.00 0.00 H new ATOM 0 HG1 THR A 19 -3.459 -0.739 -13.179 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.304 -3.008 -12.369 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.589 -3.539 -11.259 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.956 -3.267 -12.979 1.00 0.00 H new ATOM 318 N PHE A 20 -6.007 -1.297 -9.077 1.00 0.00 N ATOM 319 CA PHE A 20 -6.222 -1.785 -7.724 1.00 0.00 C ATOM 320 C PHE A 20 -7.675 -2.185 -7.535 1.00 0.00 C ATOM 321 O PHE A 20 -7.972 -3.286 -7.085 1.00 0.00 O ATOM 322 CB PHE A 20 -5.851 -0.705 -6.707 1.00 0.00 C ATOM 323 CG PHE A 20 -4.497 -1.011 -6.114 1.00 0.00 C ATOM 324 CD1 PHE A 20 -4.286 -0.860 -4.738 1.00 0.00 C ATOM 325 CD2 PHE A 20 -3.454 -1.447 -6.940 1.00 0.00 C ATOM 326 CE1 PHE A 20 -3.031 -1.142 -4.186 1.00 0.00 C ATOM 327 CE2 PHE A 20 -2.196 -1.729 -6.388 1.00 0.00 C ATOM 328 CZ PHE A 20 -1.988 -1.577 -5.008 1.00 0.00 C ATOM 0 H PHE A 20 -5.480 -0.426 -9.137 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.588 -2.657 -7.566 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.836 0.273 -7.189 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.603 -0.660 -5.919 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -5.092 -0.526 -4.102 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.618 -1.566 -8.001 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -2.869 -1.023 -3.125 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.389 -2.062 -7.023 1.00 0.00 H new ATOM 0 HZ PHE A 20 -1.021 -1.797 -4.581 1.00 0.00 H new ATOM 338 N LEU A 21 -8.574 -1.294 -7.896 1.00 0.00 N ATOM 339 CA LEU A 21 -9.987 -1.582 -7.760 1.00 0.00 C ATOM 340 C LEU A 21 -10.326 -2.897 -8.464 1.00 0.00 C ATOM 341 O LEU A 21 -11.110 -3.709 -7.958 1.00 0.00 O ATOM 342 CB LEU A 21 -10.808 -0.435 -8.364 1.00 0.00 C ATOM 343 CG LEU A 21 -12.070 -0.184 -7.520 1.00 0.00 C ATOM 344 CD1 LEU A 21 -12.904 0.918 -8.158 1.00 0.00 C ATOM 345 CD2 LEU A 21 -12.900 -1.466 -7.456 1.00 0.00 C ATOM 0 H LEU A 21 -8.356 -0.375 -8.281 1.00 0.00 H new ATOM 0 HA LEU A 21 -10.231 -1.679 -6.702 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -10.204 0.471 -8.407 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.089 -0.679 -9.388 1.00 0.00 H new ATOM 0 HG LEU A 21 -11.776 0.118 -6.515 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -13.797 1.093 -7.557 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -12.317 1.835 -8.210 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -13.197 0.617 -9.164 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -13.795 -1.291 -6.859 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -13.189 -1.763 -8.464 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -12.309 -2.260 -7.000 1.00 0.00 H new ATOM 357 N SER A 22 -9.727 -3.097 -9.631 1.00 0.00 N ATOM 358 CA SER A 22 -10.001 -4.301 -10.410 1.00 0.00 C ATOM 359 C SER A 22 -9.416 -5.566 -9.792 1.00 0.00 C ATOM 360 O SER A 22 -10.141 -6.519 -9.496 1.00 0.00 O ATOM 361 CB SER A 22 -9.448 -4.136 -11.821 1.00 0.00 C ATOM 362 OG SER A 22 -9.643 -5.346 -12.541 1.00 0.00 O ATOM 0 H SER A 22 -9.059 -2.454 -10.055 1.00 0.00 H new ATOM 0 HA SER A 22 -11.084 -4.421 -10.425 1.00 0.00 H new ATOM 0 HB2 SER A 22 -9.950 -3.312 -12.328 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.387 -3.888 -11.783 1.00 0.00 H new ATOM 0 HG SER A 22 -9.291 -5.246 -13.450 1.00 0.00 H new ATOM 368 N LEU A 23 -8.108 -5.581 -9.621 1.00 0.00 N ATOM 369 CA LEU A 23 -7.431 -6.747 -9.066 1.00 0.00 C ATOM 370 C LEU A 23 -7.919 -7.052 -7.658 1.00 0.00 C ATOM 371 O LEU A 23 -8.162 -8.210 -7.315 1.00 0.00 O ATOM 372 CB LEU A 23 -5.914 -6.509 -9.058 1.00 0.00 C ATOM 373 CG LEU A 23 -5.592 -5.199 -8.306 1.00 0.00 C ATOM 374 CD1 LEU A 23 -5.259 -5.477 -6.841 1.00 0.00 C ATOM 375 CD2 LEU A 23 -4.380 -4.508 -8.932 1.00 0.00 C ATOM 0 H LEU A 23 -7.491 -4.804 -9.856 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.662 -7.607 -9.694 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.408 -7.347 -8.579 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.540 -6.453 -10.080 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.474 -4.563 -8.375 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.036 -4.538 -6.334 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.111 -5.956 -6.359 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.392 -6.135 -6.783 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.167 -3.587 -8.390 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.516 -5.170 -8.877 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.593 -4.275 -9.975 1.00 0.00 H new ATOM 387 N LEU A 24 -8.036 -6.015 -6.837 1.00 0.00 N ATOM 388 CA LEU A 24 -8.471 -6.211 -5.464 1.00 0.00 C ATOM 389 C LEU A 24 -9.887 -6.763 -5.443 1.00 0.00 C ATOM 390 O LEU A 24 -10.249 -7.519 -4.545 1.00 0.00 O ATOM 391 CB LEU A 24 -8.358 -4.893 -4.680 1.00 0.00 C ATOM 392 CG LEU A 24 -9.675 -4.118 -4.752 1.00 0.00 C ATOM 393 CD1 LEU A 24 -10.675 -4.680 -3.751 1.00 0.00 C ATOM 394 CD2 LEU A 24 -9.426 -2.659 -4.401 1.00 0.00 C ATOM 0 H LEU A 24 -7.839 -5.048 -7.094 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.823 -6.940 -4.976 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.107 -5.101 -3.640 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.549 -4.287 -5.088 1.00 0.00 H new ATOM 0 HG LEU A 24 -10.072 -4.208 -5.763 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -11.607 -4.119 -3.814 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.867 -5.729 -3.978 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.268 -4.596 -2.743 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.365 -2.107 -4.452 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.020 -2.592 -3.392 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.714 -2.231 -5.107 1.00 0.00 H new ATOM 406 N GLU A 25 -10.694 -6.378 -6.426 1.00 0.00 N ATOM 407 CA GLU A 25 -12.067 -6.859 -6.478 1.00 0.00 C ATOM 408 C GLU A 25 -12.114 -8.348 -6.816 1.00 0.00 C ATOM 409 O GLU A 25 -12.975 -9.075 -6.329 1.00 0.00 O ATOM 410 CB GLU A 25 -12.830 -6.074 -7.546 1.00 0.00 C ATOM 411 CG GLU A 25 -13.474 -4.825 -6.931 1.00 0.00 C ATOM 412 CD GLU A 25 -14.891 -5.114 -6.438 1.00 0.00 C ATOM 413 OE1 GLU A 25 -15.421 -6.162 -6.760 1.00 0.00 O ATOM 414 OE2 GLU A 25 -15.424 -4.279 -5.724 1.00 0.00 O ATOM 0 H GLU A 25 -10.428 -5.747 -7.182 1.00 0.00 H new ATOM 0 HA GLU A 25 -12.525 -6.714 -5.499 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -12.151 -5.784 -8.348 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -13.598 -6.706 -7.992 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -12.863 -4.470 -6.101 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -13.501 -4.025 -7.671 1.00 0.00 H new ATOM 421 N ALA A 26 -11.189 -8.794 -7.646 1.00 0.00 N ATOM 422 CA ALA A 26 -11.149 -10.195 -8.032 1.00 0.00 C ATOM 423 C ALA A 26 -10.799 -11.079 -6.838 1.00 0.00 C ATOM 424 O ALA A 26 -11.363 -12.162 -6.672 1.00 0.00 O ATOM 425 CB ALA A 26 -10.115 -10.395 -9.135 1.00 0.00 C ATOM 0 H ALA A 26 -10.461 -8.214 -8.063 1.00 0.00 H new ATOM 0 HA ALA A 26 -12.136 -10.479 -8.396 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.088 -11.446 -9.422 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -10.384 -9.790 -10.000 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.133 -10.092 -8.772 1.00 0.00 H new ATOM 431 N ALA A 27 -9.865 -10.615 -6.012 1.00 0.00 N ATOM 432 CA ALA A 27 -9.445 -11.382 -4.839 1.00 0.00 C ATOM 433 C ALA A 27 -10.442 -11.215 -3.701 1.00 0.00 C ATOM 434 O ALA A 27 -10.291 -11.816 -2.637 1.00 0.00 O ATOM 435 CB ALA A 27 -8.068 -10.918 -4.378 1.00 0.00 C ATOM 0 H ALA A 27 -9.388 -9.721 -6.130 1.00 0.00 H new ATOM 0 HA ALA A 27 -9.401 -12.435 -5.118 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.763 -11.494 -3.504 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.346 -11.067 -5.181 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.109 -9.860 -4.119 1.00 0.00 H new ATOM 441 N ASP A 28 -11.461 -10.391 -3.933 1.00 0.00 N ATOM 442 CA ASP A 28 -12.485 -10.145 -2.923 1.00 0.00 C ATOM 443 C ASP A 28 -11.914 -9.291 -1.791 1.00 0.00 C ATOM 444 O ASP A 28 -12.230 -9.505 -0.621 1.00 0.00 O ATOM 445 CB ASP A 28 -12.990 -11.480 -2.357 1.00 0.00 C ATOM 446 CG ASP A 28 -12.958 -12.555 -3.440 1.00 0.00 C ATOM 447 OD1 ASP A 28 -12.723 -13.703 -3.102 1.00 0.00 O ATOM 448 OD2 ASP A 28 -13.166 -12.212 -4.593 1.00 0.00 O ATOM 0 H ASP A 28 -11.599 -9.885 -4.808 1.00 0.00 H new ATOM 0 HA ASP A 28 -13.315 -9.612 -3.387 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -12.370 -11.784 -1.514 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -14.006 -11.363 -1.980 1.00 0.00 H new ATOM 453 N LEU A 29 -11.065 -8.328 -2.146 1.00 0.00 N ATOM 454 CA LEU A 29 -10.446 -7.460 -1.142 1.00 0.00 C ATOM 455 C LEU A 29 -11.213 -6.157 -0.998 1.00 0.00 C ATOM 456 O LEU A 29 -10.720 -5.172 -0.446 1.00 0.00 O ATOM 457 CB LEU A 29 -8.995 -7.165 -1.527 1.00 0.00 C ATOM 458 CG LEU A 29 -8.041 -8.151 -0.826 1.00 0.00 C ATOM 459 CD1 LEU A 29 -7.889 -7.814 0.658 1.00 0.00 C ATOM 460 CD2 LEU A 29 -8.571 -9.582 -0.951 1.00 0.00 C ATOM 0 H LEU A 29 -10.792 -8.129 -3.108 1.00 0.00 H new ATOM 0 HA LEU A 29 -10.470 -7.981 -0.185 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.876 -7.241 -2.608 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.739 -6.142 -1.249 1.00 0.00 H new ATOM 0 HG LEU A 29 -7.069 -8.068 -1.313 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.210 -8.527 1.125 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.486 -6.807 0.763 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.863 -7.868 1.145 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.887 -10.268 -0.451 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -9.555 -9.648 -0.486 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.649 -9.850 -2.005 1.00 0.00 H new ATOM 472 N LYS A 30 -12.414 -6.175 -1.524 1.00 0.00 N ATOM 473 CA LYS A 30 -13.284 -5.018 -1.496 1.00 0.00 C ATOM 474 C LYS A 30 -14.186 -5.049 -0.265 1.00 0.00 C ATOM 475 O LYS A 30 -14.663 -4.010 0.187 1.00 0.00 O ATOM 476 CB LYS A 30 -14.155 -4.963 -2.763 1.00 0.00 C ATOM 477 CG LYS A 30 -14.594 -6.367 -3.231 1.00 0.00 C ATOM 478 CD LYS A 30 -15.948 -6.708 -2.623 1.00 0.00 C ATOM 479 CE LYS A 30 -16.115 -8.224 -2.608 1.00 0.00 C ATOM 480 NZ LYS A 30 -15.993 -8.743 -4.000 1.00 0.00 N ATOM 0 H LYS A 30 -12.818 -6.991 -1.984 1.00 0.00 H new ATOM 0 HA LYS A 30 -12.654 -4.130 -1.455 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -15.038 -4.354 -2.568 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.600 -4.473 -3.563 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -14.655 -6.396 -4.319 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -13.853 -7.109 -2.933 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -16.017 -6.311 -1.610 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -16.748 -6.246 -3.202 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -15.358 -8.679 -1.969 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -17.086 -8.491 -2.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -16.320 -9.730 -4.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -16.575 -8.164 -4.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -14.999 -8.698 -4.301 1.00 0.00 H new ATOM 494 N GLU A 31 -14.426 -6.248 0.262 1.00 0.00 N ATOM 495 CA GLU A 31 -15.294 -6.403 1.425 1.00 0.00 C ATOM 496 C GLU A 31 -14.678 -5.767 2.667 1.00 0.00 C ATOM 497 O GLU A 31 -15.205 -4.798 3.212 1.00 0.00 O ATOM 498 CB GLU A 31 -15.527 -7.894 1.685 1.00 0.00 C ATOM 499 CG GLU A 31 -16.817 -8.351 0.999 1.00 0.00 C ATOM 500 CD GLU A 31 -16.746 -9.846 0.701 1.00 0.00 C ATOM 501 OE1 GLU A 31 -16.198 -10.199 -0.332 1.00 0.00 O ATOM 502 OE2 GLU A 31 -17.241 -10.615 1.507 1.00 0.00 O ATOM 0 H GLU A 31 -14.035 -7.120 -0.095 1.00 0.00 H new ATOM 0 HA GLU A 31 -16.238 -5.900 1.216 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -14.682 -8.473 1.311 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -15.591 -8.079 2.757 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -17.674 -8.139 1.639 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -16.964 -7.794 0.074 1.00 0.00 H new ATOM 509 N LEU A 32 -13.547 -6.303 3.095 1.00 0.00 N ATOM 510 CA LEU A 32 -12.864 -5.772 4.263 1.00 0.00 C ATOM 511 C LEU A 32 -12.547 -4.288 4.072 1.00 0.00 C ATOM 512 O LEU A 32 -12.307 -3.565 5.040 1.00 0.00 O ATOM 513 CB LEU A 32 -11.569 -6.575 4.534 1.00 0.00 C ATOM 514 CG LEU A 32 -10.421 -6.143 3.600 1.00 0.00 C ATOM 515 CD1 LEU A 32 -9.118 -6.805 4.050 1.00 0.00 C ATOM 516 CD2 LEU A 32 -10.719 -6.576 2.161 1.00 0.00 C ATOM 0 H LEU A 32 -13.085 -7.099 2.655 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.522 -5.871 5.126 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.265 -6.436 5.572 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.766 -7.639 4.400 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.326 -5.058 3.643 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.307 -6.499 3.389 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.889 -6.500 5.071 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.228 -7.889 4.011 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.901 -6.265 1.511 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.822 -7.660 2.121 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.646 -6.111 1.826 1.00 0.00 H new ATOM 528 N LEU A 33 -12.514 -3.851 2.817 1.00 0.00 N ATOM 529 CA LEU A 33 -12.183 -2.463 2.501 1.00 0.00 C ATOM 530 C LEU A 33 -13.324 -1.528 2.871 1.00 0.00 C ATOM 531 O LEU A 33 -13.106 -0.474 3.469 1.00 0.00 O ATOM 532 CB LEU A 33 -11.894 -2.343 1.004 1.00 0.00 C ATOM 533 CG LEU A 33 -10.411 -2.057 0.759 1.00 0.00 C ATOM 534 CD1 LEU A 33 -10.054 -0.686 1.317 1.00 0.00 C ATOM 535 CD2 LEU A 33 -9.569 -3.130 1.441 1.00 0.00 C ATOM 0 H LEU A 33 -12.711 -4.434 2.004 1.00 0.00 H new ATOM 0 HA LEU A 33 -11.305 -2.177 3.080 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -12.180 -3.266 0.499 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -12.499 -1.544 0.575 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.210 -2.068 -0.312 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.997 -0.485 1.141 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.655 0.076 0.822 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.253 -0.666 2.388 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.512 -2.928 1.268 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.769 -3.123 2.513 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.824 -4.107 1.031 1.00 0.00 H new ATOM 547 N THR A 34 -14.538 -1.913 2.511 1.00 0.00 N ATOM 548 CA THR A 34 -15.693 -1.093 2.812 1.00 0.00 C ATOM 549 C THR A 34 -16.016 -1.165 4.294 1.00 0.00 C ATOM 550 O THR A 34 -16.678 -0.285 4.841 1.00 0.00 O ATOM 551 CB THR A 34 -16.899 -1.569 1.997 1.00 0.00 C ATOM 552 OG1 THR A 34 -18.041 -0.815 2.367 1.00 0.00 O ATOM 553 CG2 THR A 34 -17.162 -3.056 2.253 1.00 0.00 C ATOM 0 H THR A 34 -14.745 -2.780 2.015 1.00 0.00 H new ATOM 0 HA THR A 34 -15.467 -0.060 2.548 1.00 0.00 H new ATOM 0 HB THR A 34 -16.689 -1.428 0.937 1.00 0.00 H new ATOM 0 HG1 THR A 34 -18.815 -1.116 1.846 1.00 0.00 H new ATOM 0 HG21 THR A 34 -18.022 -3.380 1.667 1.00 0.00 H new ATOM 0 HG22 THR A 34 -16.286 -3.636 1.962 1.00 0.00 H new ATOM 0 HG23 THR A 34 -17.365 -3.212 3.312 1.00 0.00 H new ATOM 561 N GLN A 35 -15.561 -2.232 4.938 1.00 0.00 N ATOM 562 CA GLN A 35 -15.838 -2.405 6.358 1.00 0.00 C ATOM 563 C GLN A 35 -15.149 -1.316 7.182 1.00 0.00 C ATOM 564 O GLN A 35 -14.125 -0.774 6.767 1.00 0.00 O ATOM 565 CB GLN A 35 -15.368 -3.788 6.827 1.00 0.00 C ATOM 566 CG GLN A 35 -16.509 -4.816 6.728 1.00 0.00 C ATOM 567 CD GLN A 35 -15.994 -6.101 6.102 1.00 0.00 C ATOM 568 OE1 GLN A 35 -16.149 -6.283 4.825 1.00 0.00 O flip ATOM 569 NE2 GLN A 35 -15.442 -6.957 6.791 1.00 0.00 N flip ATOM 0 H GLN A 35 -15.010 -2.976 4.511 1.00 0.00 H new ATOM 0 HA GLN A 35 -16.915 -2.324 6.506 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -14.524 -4.115 6.220 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -15.016 -3.727 7.857 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -16.913 -5.021 7.719 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -17.324 -4.411 6.129 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -15.324 -6.807 7.793 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -15.102 -7.817 6.361 1.00 0.00 H new ATOM 578 N PRO A 36 -15.689 -0.982 8.334 1.00 0.00 N ATOM 579 CA PRO A 36 -15.105 0.070 9.219 1.00 0.00 C ATOM 580 C PRO A 36 -13.893 -0.434 10.000 1.00 0.00 C ATOM 581 O PRO A 36 -14.007 -1.352 10.812 1.00 0.00 O ATOM 582 CB PRO A 36 -16.257 0.408 10.165 1.00 0.00 C ATOM 583 CG PRO A 36 -17.054 -0.849 10.272 1.00 0.00 C ATOM 584 CD PRO A 36 -16.916 -1.563 8.926 1.00 0.00 C ATOM 0 HA PRO A 36 -14.736 0.925 8.653 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -15.886 0.724 11.140 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -16.862 1.226 9.773 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -16.684 -1.475 11.084 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -18.099 -0.629 10.490 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -16.825 -2.642 9.054 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -17.785 -1.390 8.292 1.00 0.00 H new ATOM 592 N GLY A 37 -12.736 0.172 9.757 1.00 0.00 N ATOM 593 CA GLY A 37 -11.520 -0.224 10.451 1.00 0.00 C ATOM 594 C GLY A 37 -10.352 0.638 10.001 1.00 0.00 C ATOM 595 O GLY A 37 -10.396 1.232 8.928 1.00 0.00 O ATOM 0 H GLY A 37 -12.616 0.934 9.089 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -11.659 -0.126 11.528 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.304 -1.274 10.251 1.00 0.00 H new ATOM 599 N ASP A 38 -9.315 0.707 10.825 1.00 0.00 N ATOM 600 CA ASP A 38 -8.138 1.506 10.495 1.00 0.00 C ATOM 601 C ASP A 38 -6.994 0.612 10.041 1.00 0.00 C ATOM 602 O ASP A 38 -6.462 -0.174 10.820 1.00 0.00 O ATOM 603 CB ASP A 38 -7.690 2.299 11.721 1.00 0.00 C ATOM 604 CG ASP A 38 -8.072 1.550 12.992 1.00 0.00 C ATOM 605 OD1 ASP A 38 -8.582 2.184 13.901 1.00 0.00 O ATOM 606 OD2 ASP A 38 -7.851 0.351 13.040 1.00 0.00 O ATOM 0 H ASP A 38 -9.263 0.224 11.722 1.00 0.00 H new ATOM 0 HA ASP A 38 -8.403 2.187 9.687 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.612 2.454 11.690 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -8.154 3.285 11.716 1.00 0.00 H new ATOM 611 N TRP A 39 -6.625 0.733 8.769 1.00 0.00 N ATOM 612 CA TRP A 39 -5.540 -0.073 8.212 1.00 0.00 C ATOM 613 C TRP A 39 -4.651 0.793 7.325 1.00 0.00 C ATOM 614 O TRP A 39 -4.993 1.933 7.006 1.00 0.00 O ATOM 615 CB TRP A 39 -6.087 -1.258 7.391 1.00 0.00 C ATOM 616 CG TRP A 39 -6.848 -2.202 8.270 1.00 0.00 C ATOM 617 CD1 TRP A 39 -7.980 -1.894 8.904 1.00 0.00 C ATOM 618 CD2 TRP A 39 -6.571 -3.592 8.597 1.00 0.00 C ATOM 619 NE1 TRP A 39 -8.416 -2.987 9.629 1.00 0.00 N ATOM 620 CE2 TRP A 39 -7.578 -4.063 9.470 1.00 0.00 C ATOM 621 CE3 TRP A 39 -5.549 -4.471 8.238 1.00 0.00 C ATOM 622 CZ2 TRP A 39 -7.569 -5.371 9.962 1.00 0.00 C ATOM 623 CZ3 TRP A 39 -5.530 -5.784 8.725 1.00 0.00 C ATOM 624 CH2 TRP A 39 -6.538 -6.235 9.589 1.00 0.00 C ATOM 0 H TRP A 39 -7.058 1.377 8.107 1.00 0.00 H new ATOM 0 HA TRP A 39 -4.957 -0.470 9.043 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -6.736 -0.888 6.597 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -5.263 -1.785 6.910 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -8.479 -0.937 8.858 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -9.255 -2.993 10.209 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -4.764 -4.135 7.577 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -8.352 -5.710 10.624 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -4.734 -6.453 8.433 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -6.517 -7.247 9.965 1.00 0.00 H new ATOM 635 N THR A 40 -3.508 0.244 6.932 1.00 0.00 N ATOM 636 CA THR A 40 -2.575 0.965 6.081 1.00 0.00 C ATOM 637 C THR A 40 -2.634 0.408 4.675 1.00 0.00 C ATOM 638 O THR A 40 -2.659 -0.812 4.491 1.00 0.00 O ATOM 639 CB THR A 40 -1.156 0.833 6.613 1.00 0.00 C ATOM 640 OG1 THR A 40 -1.151 1.070 8.006 1.00 0.00 O ATOM 641 CG2 THR A 40 -0.258 1.855 5.929 1.00 0.00 C ATOM 0 H THR A 40 -3.207 -0.696 7.189 1.00 0.00 H new ATOM 0 HA THR A 40 -2.855 2.019 6.074 1.00 0.00 H new ATOM 0 HB THR A 40 -0.787 -0.172 6.410 1.00 0.00 H new ATOM 0 HG1 THR A 40 -1.627 1.905 8.197 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.758 1.760 6.311 1.00 0.00 H new ATOM 0 HG22 THR A 40 -0.260 1.679 4.853 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.629 2.859 6.132 1.00 0.00 H new ATOM 649 N LEU A 41 -2.669 1.307 3.697 1.00 0.00 N ATOM 650 CA LEU A 41 -2.746 0.895 2.301 1.00 0.00 C ATOM 651 C LEU A 41 -1.551 1.393 1.507 1.00 0.00 C ATOM 652 O LEU A 41 -1.347 2.597 1.368 1.00 0.00 O ATOM 653 CB LEU A 41 -4.048 1.440 1.685 1.00 0.00 C ATOM 654 CG LEU A 41 -4.168 1.109 0.176 1.00 0.00 C ATOM 655 CD1 LEU A 41 -3.305 2.045 -0.682 1.00 0.00 C ATOM 656 CD2 LEU A 41 -3.737 -0.329 -0.098 1.00 0.00 C ATOM 0 H LEU A 41 -2.646 2.316 3.843 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.739 -0.194 2.262 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.902 1.020 2.216 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.088 2.521 1.822 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.216 1.244 -0.092 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.416 1.781 -1.734 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.626 3.076 -0.531 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.259 1.944 -0.391 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.829 -0.540 -1.163 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.700 -0.463 0.210 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.373 -1.013 0.464 1.00 0.00 H new ATOM 668 N PHE A 42 -0.788 0.451 0.961 1.00 0.00 N ATOM 669 CA PHE A 42 0.368 0.786 0.143 1.00 0.00 C ATOM 670 C PHE A 42 0.048 0.540 -1.325 1.00 0.00 C ATOM 671 O PHE A 42 0.040 -0.604 -1.779 1.00 0.00 O ATOM 672 CB PHE A 42 1.578 -0.064 0.540 1.00 0.00 C ATOM 673 CG PHE A 42 2.450 0.717 1.487 1.00 0.00 C ATOM 674 CD1 PHE A 42 2.062 0.895 2.821 1.00 0.00 C ATOM 675 CD2 PHE A 42 3.653 1.254 1.031 1.00 0.00 C ATOM 676 CE1 PHE A 42 2.887 1.611 3.695 1.00 0.00 C ATOM 677 CE2 PHE A 42 4.472 1.970 1.903 1.00 0.00 C ATOM 678 CZ PHE A 42 4.091 2.149 3.235 1.00 0.00 C ATOM 0 H PHE A 42 -0.951 -0.550 1.071 1.00 0.00 H new ATOM 0 HA PHE A 42 0.606 1.838 0.302 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.247 -0.989 1.012 1.00 0.00 H new ATOM 0 HB3 PHE A 42 2.146 -0.344 -0.347 1.00 0.00 H new ATOM 0 HD1 PHE A 42 1.129 0.481 3.174 1.00 0.00 H new ATOM 0 HD2 PHE A 42 3.951 1.115 0.002 1.00 0.00 H new ATOM 0 HE1 PHE A 42 2.593 1.748 4.725 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.403 2.387 1.548 1.00 0.00 H new ATOM 0 HZ PHE A 42 4.727 2.703 3.909 1.00 0.00 H new ATOM 688 N VAL A 43 -0.228 1.618 -2.056 1.00 0.00 N ATOM 689 CA VAL A 43 -0.566 1.508 -3.473 1.00 0.00 C ATOM 690 C VAL A 43 0.521 2.144 -4.349 1.00 0.00 C ATOM 691 O VAL A 43 0.748 3.349 -4.264 1.00 0.00 O ATOM 692 CB VAL A 43 -1.903 2.197 -3.763 1.00 0.00 C ATOM 693 CG1 VAL A 43 -1.979 3.563 -3.077 1.00 0.00 C ATOM 694 CG2 VAL A 43 -2.059 2.383 -5.273 1.00 0.00 C ATOM 0 H VAL A 43 -0.224 2.571 -1.694 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.642 0.447 -3.710 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.705 1.569 -3.374 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.939 4.029 -3.300 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.880 3.435 -1.999 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.173 4.199 -3.443 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.010 2.873 -5.483 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.242 2.999 -5.650 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.036 1.410 -5.764 1.00 0.00 H new ATOM 704 N PRO A 44 1.189 1.384 -5.196 1.00 0.00 N ATOM 705 CA PRO A 44 2.241 1.933 -6.084 1.00 0.00 C ATOM 706 C PRO A 44 1.652 2.513 -7.371 1.00 0.00 C ATOM 707 O PRO A 44 0.622 2.048 -7.855 1.00 0.00 O ATOM 708 CB PRO A 44 3.106 0.717 -6.379 1.00 0.00 C ATOM 709 CG PRO A 44 2.176 -0.446 -6.339 1.00 0.00 C ATOM 710 CD PRO A 44 1.025 -0.066 -5.407 1.00 0.00 C ATOM 0 HA PRO A 44 2.790 2.758 -5.629 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.586 0.803 -7.354 1.00 0.00 H new ATOM 0 HB3 PRO A 44 3.900 0.611 -5.640 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.804 -0.677 -7.337 1.00 0.00 H new ATOM 0 HG3 PRO A 44 2.688 -1.337 -5.976 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.058 -0.296 -5.855 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.078 -0.613 -4.466 1.00 0.00 H new ATOM 718 N THR A 45 2.309 3.532 -7.921 1.00 0.00 N ATOM 719 CA THR A 45 1.833 4.162 -9.149 1.00 0.00 C ATOM 720 C THR A 45 2.414 3.463 -10.375 1.00 0.00 C ATOM 721 O THR A 45 3.226 2.548 -10.254 1.00 0.00 O ATOM 722 CB THR A 45 2.233 5.638 -9.162 1.00 0.00 C ATOM 723 OG1 THR A 45 3.546 5.774 -8.638 1.00 0.00 O ATOM 724 CG2 THR A 45 1.253 6.435 -8.303 1.00 0.00 C ATOM 0 H THR A 45 3.165 3.936 -7.540 1.00 0.00 H new ATOM 0 HA THR A 45 0.747 4.077 -9.182 1.00 0.00 H new ATOM 0 HB THR A 45 2.210 6.016 -10.184 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.805 6.719 -8.647 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.536 7.488 -8.310 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.246 6.327 -8.705 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.278 6.060 -7.280 1.00 0.00 H new ATOM 732 N ASN A 46 1.992 3.902 -11.558 1.00 0.00 N ATOM 733 CA ASN A 46 2.482 3.311 -12.797 1.00 0.00 C ATOM 734 C ASN A 46 4.008 3.272 -12.807 1.00 0.00 C ATOM 735 O ASN A 46 4.612 2.322 -13.319 1.00 0.00 O ATOM 736 CB ASN A 46 1.982 4.120 -13.994 1.00 0.00 C ATOM 737 CG ASN A 46 2.541 5.537 -13.938 1.00 0.00 C ATOM 738 OD1 ASN A 46 2.070 6.381 -13.060 1.00 0.00 O flip ATOM 739 ND2 ASN A 46 3.431 5.886 -14.713 1.00 0.00 N flip ATOM 0 H ASN A 46 1.318 4.658 -11.683 1.00 0.00 H new ATOM 0 HA ASN A 46 2.104 2.291 -12.865 1.00 0.00 H new ATOM 0 HB2 ASN A 46 2.287 3.637 -14.922 1.00 0.00 H new ATOM 0 HB3 ASN A 46 0.892 4.150 -13.993 1.00 0.00 H new ATOM 0 HD21 ASN A 46 3.798 5.226 -15.398 1.00 0.00 H new ATOM 0 HD22 ASN A 46 3.801 6.835 -14.670 1.00 0.00 H new ATOM 746 N ASP A 47 4.623 4.309 -12.244 1.00 0.00 N ATOM 747 CA ASP A 47 6.079 4.390 -12.193 1.00 0.00 C ATOM 748 C ASP A 47 6.667 3.116 -11.595 1.00 0.00 C ATOM 749 O ASP A 47 7.863 2.854 -11.718 1.00 0.00 O ATOM 750 CB ASP A 47 6.511 5.595 -11.355 1.00 0.00 C ATOM 751 CG ASP A 47 6.494 6.859 -12.210 1.00 0.00 C ATOM 752 OD1 ASP A 47 5.840 7.809 -11.813 1.00 0.00 O ATOM 753 OD2 ASP A 47 7.136 6.857 -13.247 1.00 0.00 O ATOM 0 H ASP A 47 4.139 5.100 -11.819 1.00 0.00 H new ATOM 0 HA ASP A 47 6.450 4.506 -13.211 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.842 5.714 -10.502 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.511 5.430 -10.955 1.00 0.00 H new ATOM 758 N ALA A 48 5.819 2.328 -10.956 1.00 0.00 N ATOM 759 CA ALA A 48 6.256 1.079 -10.351 1.00 0.00 C ATOM 760 C ALA A 48 6.089 -0.093 -11.315 1.00 0.00 C ATOM 761 O ALA A 48 6.813 -1.085 -11.233 1.00 0.00 O ATOM 762 CB ALA A 48 5.432 0.810 -9.110 1.00 0.00 C ATOM 0 H ALA A 48 4.826 2.529 -10.842 1.00 0.00 H new ATOM 0 HA ALA A 48 7.312 1.175 -10.099 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.756 -0.125 -8.654 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.566 1.626 -8.400 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.379 0.735 -9.382 1.00 0.00 H new ATOM 768 N PHE A 49 5.111 0.020 -12.207 1.00 0.00 N ATOM 769 CA PHE A 49 4.833 -1.047 -13.164 1.00 0.00 C ATOM 770 C PHE A 49 5.939 -1.135 -14.204 1.00 0.00 C ATOM 771 O PHE A 49 6.284 -2.223 -14.666 1.00 0.00 O ATOM 772 CB PHE A 49 3.500 -0.784 -13.865 1.00 0.00 C ATOM 773 CG PHE A 49 2.528 -1.890 -13.533 1.00 0.00 C ATOM 774 CD1 PHE A 49 1.882 -1.900 -12.292 1.00 0.00 C ATOM 775 CD2 PHE A 49 2.277 -2.904 -14.463 1.00 0.00 C ATOM 776 CE1 PHE A 49 0.983 -2.927 -11.981 1.00 0.00 C ATOM 777 CE2 PHE A 49 1.377 -3.931 -14.153 1.00 0.00 C ATOM 778 CZ PHE A 49 0.731 -3.942 -12.911 1.00 0.00 C ATOM 0 H PHE A 49 4.501 0.833 -12.288 1.00 0.00 H new ATOM 0 HA PHE A 49 4.782 -1.990 -12.620 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.095 0.177 -13.549 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.649 -0.728 -14.943 1.00 0.00 H new ATOM 0 HD1 PHE A 49 2.077 -1.116 -11.575 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.777 -2.895 -15.420 1.00 0.00 H new ATOM 0 HE1 PHE A 49 0.484 -2.936 -11.023 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.181 -4.714 -14.871 1.00 0.00 H new ATOM 0 HZ PHE A 49 0.038 -4.734 -12.670 1.00 0.00 H new ATOM 788 N LYS A 50 6.491 0.014 -14.564 1.00 0.00 N ATOM 789 CA LYS A 50 7.565 0.053 -15.553 1.00 0.00 C ATOM 790 C LYS A 50 8.717 -0.852 -15.125 1.00 0.00 C ATOM 791 O LYS A 50 9.356 -0.617 -14.100 1.00 0.00 O ATOM 792 CB LYS A 50 8.077 1.490 -15.733 1.00 0.00 C ATOM 793 CG LYS A 50 8.246 2.151 -14.363 1.00 0.00 C ATOM 794 CD LYS A 50 8.639 3.618 -14.531 1.00 0.00 C ATOM 795 CE LYS A 50 9.975 3.720 -15.264 1.00 0.00 C ATOM 796 NZ LYS A 50 9.723 3.904 -16.719 1.00 0.00 N ATOM 0 H LYS A 50 6.219 0.924 -14.193 1.00 0.00 H new ATOM 0 HA LYS A 50 7.166 -0.304 -16.503 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.029 1.484 -16.265 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.376 2.063 -16.340 1.00 0.00 H new ATOM 0 HG2 LYS A 50 7.316 2.078 -13.799 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.009 1.626 -13.789 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.867 4.148 -15.089 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.713 4.097 -13.555 1.00 0.00 H new ATOM 0 HE2 LYS A 50 10.554 4.557 -14.874 1.00 0.00 H new ATOM 0 HE3 LYS A 50 10.565 2.819 -15.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.223 3.166 -17.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.702 3.835 -16.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.067 4.840 -17.015 1.00 0.00 H new ATOM 810 N GLY A 51 8.972 -1.893 -15.913 1.00 0.00 N ATOM 811 CA GLY A 51 10.047 -2.832 -15.603 1.00 0.00 C ATOM 812 C GLY A 51 9.517 -4.258 -15.519 1.00 0.00 C ATOM 813 O GLY A 51 10.192 -5.206 -15.918 1.00 0.00 O ATOM 0 H GLY A 51 8.453 -2.107 -16.765 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.820 -2.772 -16.369 1.00 0.00 H new ATOM 0 HA3 GLY A 51 10.514 -2.557 -14.657 1.00 0.00 H new ATOM 817 N MET A 52 8.303 -4.405 -14.998 1.00 0.00 N ATOM 818 CA MET A 52 7.696 -5.721 -14.870 1.00 0.00 C ATOM 819 C MET A 52 7.277 -6.246 -16.238 1.00 0.00 C ATOM 820 O MET A 52 6.342 -5.734 -16.853 1.00 0.00 O ATOM 821 CB MET A 52 6.473 -5.644 -13.954 1.00 0.00 C ATOM 822 CG MET A 52 6.806 -6.243 -12.588 1.00 0.00 C ATOM 823 SD MET A 52 8.089 -5.246 -11.785 1.00 0.00 S ATOM 824 CE MET A 52 6.987 -4.063 -10.965 1.00 0.00 C ATOM 0 H MET A 52 7.726 -3.635 -14.661 1.00 0.00 H new ATOM 0 HA MET A 52 8.429 -6.402 -14.438 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.159 -4.607 -13.839 1.00 0.00 H new ATOM 0 HB3 MET A 52 5.638 -6.182 -14.403 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.912 -6.274 -11.965 1.00 0.00 H new ATOM 0 HG3 MET A 52 7.149 -7.271 -12.704 1.00 0.00 H new ATOM 0 HE1 MET A 52 7.581 -3.343 -10.402 1.00 0.00 H new ATOM 0 HE2 MET A 52 6.395 -3.538 -11.714 1.00 0.00 H new ATOM 0 HE3 MET A 52 6.322 -4.596 -10.285 1.00 0.00 H new ATOM 834 N THR A 53 7.976 -7.272 -16.707 1.00 0.00 N ATOM 835 CA THR A 53 7.671 -7.861 -18.004 1.00 0.00 C ATOM 836 C THR A 53 6.420 -8.723 -17.917 1.00 0.00 C ATOM 837 O THR A 53 6.144 -9.333 -16.885 1.00 0.00 O ATOM 838 CB THR A 53 8.843 -8.715 -18.486 1.00 0.00 C ATOM 839 OG1 THR A 53 8.717 -10.032 -17.967 1.00 0.00 O ATOM 840 CG2 THR A 53 10.151 -8.097 -18.000 1.00 0.00 C ATOM 0 H THR A 53 8.753 -7.711 -16.212 1.00 0.00 H new ATOM 0 HA THR A 53 7.498 -7.052 -18.713 1.00 0.00 H new ATOM 0 HB THR A 53 8.841 -8.755 -19.575 1.00 0.00 H new ATOM 0 HG1 THR A 53 9.468 -10.579 -18.278 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.989 -8.704 -18.342 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.247 -7.087 -18.400 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.152 -8.058 -16.911 1.00 0.00 H new ATOM 848 N SER A 54 5.665 -8.760 -19.006 1.00 0.00 N ATOM 849 CA SER A 54 4.438 -9.546 -19.044 1.00 0.00 C ATOM 850 C SER A 54 4.678 -10.936 -18.468 1.00 0.00 C ATOM 851 O SER A 54 3.807 -11.504 -17.816 1.00 0.00 O ATOM 852 CB SER A 54 3.931 -9.667 -20.482 1.00 0.00 C ATOM 853 OG SER A 54 4.712 -10.631 -21.178 1.00 0.00 O ATOM 0 H SER A 54 5.877 -8.260 -19.869 1.00 0.00 H new ATOM 0 HA SER A 54 3.686 -9.037 -18.441 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.882 -9.961 -20.486 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.993 -8.701 -20.984 1.00 0.00 H new ATOM 0 HG SER A 54 4.388 -10.711 -22.099 1.00 0.00 H new ATOM 859 N GLU A 55 5.865 -11.476 -18.710 1.00 0.00 N ATOM 860 CA GLU A 55 6.209 -12.802 -18.213 1.00 0.00 C ATOM 861 C GLU A 55 6.439 -12.767 -16.706 1.00 0.00 C ATOM 862 O GLU A 55 6.029 -13.673 -15.983 1.00 0.00 O ATOM 863 CB GLU A 55 7.470 -13.308 -18.912 1.00 0.00 C ATOM 864 CG GLU A 55 7.845 -14.685 -18.360 1.00 0.00 C ATOM 865 CD GLU A 55 8.262 -15.609 -19.500 1.00 0.00 C ATOM 866 OE1 GLU A 55 7.934 -16.782 -19.435 1.00 0.00 O ATOM 867 OE2 GLU A 55 8.904 -15.130 -20.421 1.00 0.00 O ATOM 0 H GLU A 55 6.603 -11.019 -19.245 1.00 0.00 H new ATOM 0 HA GLU A 55 5.380 -13.476 -18.426 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.302 -13.369 -19.987 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.290 -12.607 -18.757 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.660 -14.589 -17.643 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.998 -15.114 -17.825 1.00 0.00 H new ATOM 874 N GLU A 56 7.097 -11.714 -16.243 1.00 0.00 N ATOM 875 CA GLU A 56 7.376 -11.569 -14.820 1.00 0.00 C ATOM 876 C GLU A 56 6.084 -11.648 -14.014 1.00 0.00 C ATOM 877 O GLU A 56 5.905 -12.543 -13.185 1.00 0.00 O ATOM 878 CB GLU A 56 8.066 -10.227 -14.556 1.00 0.00 C ATOM 879 CG GLU A 56 9.555 -10.456 -14.291 1.00 0.00 C ATOM 880 CD GLU A 56 9.745 -11.160 -12.952 1.00 0.00 C ATOM 881 OE1 GLU A 56 9.268 -10.637 -11.958 1.00 0.00 O ATOM 882 OE2 GLU A 56 10.364 -12.211 -12.940 1.00 0.00 O ATOM 0 H GLU A 56 7.446 -10.953 -16.826 1.00 0.00 H new ATOM 0 HA GLU A 56 8.035 -12.381 -14.511 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.937 -9.566 -15.413 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.606 -9.733 -13.700 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.987 -11.057 -15.091 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.083 -9.502 -14.288 1.00 0.00 H new ATOM 889 N LYS A 57 5.184 -10.710 -14.266 1.00 0.00 N ATOM 890 CA LYS A 57 3.914 -10.687 -13.555 1.00 0.00 C ATOM 891 C LYS A 57 3.160 -11.991 -13.770 1.00 0.00 C ATOM 892 O LYS A 57 2.465 -12.468 -12.880 1.00 0.00 O ATOM 893 CB LYS A 57 3.064 -9.512 -14.037 1.00 0.00 C ATOM 894 CG LYS A 57 2.828 -9.635 -15.546 1.00 0.00 C ATOM 895 CD LYS A 57 2.127 -8.372 -16.064 1.00 0.00 C ATOM 896 CE LYS A 57 3.046 -7.154 -15.902 1.00 0.00 C ATOM 897 NZ LYS A 57 2.830 -6.209 -17.034 1.00 0.00 N ATOM 0 H LYS A 57 5.306 -9.963 -14.949 1.00 0.00 H new ATOM 0 HA LYS A 57 4.116 -10.570 -12.490 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.110 -9.499 -13.509 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.566 -8.571 -13.812 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.778 -9.773 -16.062 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.219 -10.514 -15.758 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.861 -8.499 -17.113 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.198 -8.212 -15.516 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.841 -6.655 -14.955 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.088 -7.473 -15.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.454 -5.385 -16.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.046 -6.687 -17.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.839 -5.895 -17.039 1.00 0.00 H new ATOM 911 N GLU A 58 3.300 -12.563 -14.956 1.00 0.00 N ATOM 912 CA GLU A 58 2.619 -13.809 -15.266 1.00 0.00 C ATOM 913 C GLU A 58 3.072 -14.921 -14.323 1.00 0.00 C ATOM 914 O GLU A 58 2.257 -15.688 -13.814 1.00 0.00 O ATOM 915 CB GLU A 58 2.903 -14.210 -16.712 1.00 0.00 C ATOM 916 CG GLU A 58 2.130 -15.478 -17.048 1.00 0.00 C ATOM 917 CD GLU A 58 2.185 -15.738 -18.551 1.00 0.00 C ATOM 918 OE1 GLU A 58 1.424 -16.570 -19.016 1.00 0.00 O ATOM 919 OE2 GLU A 58 2.986 -15.100 -19.213 1.00 0.00 O ATOM 0 H GLU A 58 3.873 -12.189 -15.712 1.00 0.00 H new ATOM 0 HA GLU A 58 1.547 -13.658 -15.135 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.613 -13.405 -17.387 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.971 -14.375 -16.852 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.552 -16.325 -16.508 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.094 -15.379 -16.725 1.00 0.00 H new ATOM 926 N ILE A 59 4.377 -14.999 -14.091 1.00 0.00 N ATOM 927 CA ILE A 59 4.923 -16.018 -13.205 1.00 0.00 C ATOM 928 C ILE A 59 4.395 -15.826 -11.786 1.00 0.00 C ATOM 929 O ILE A 59 4.186 -16.797 -11.058 1.00 0.00 O ATOM 930 CB ILE A 59 6.449 -15.938 -13.202 1.00 0.00 C ATOM 931 CG1 ILE A 59 6.976 -16.274 -14.601 1.00 0.00 C ATOM 932 CG2 ILE A 59 7.014 -16.942 -12.195 1.00 0.00 C ATOM 933 CD1 ILE A 59 8.303 -15.548 -14.846 1.00 0.00 C ATOM 0 H ILE A 59 5.071 -14.374 -14.501 1.00 0.00 H new ATOM 0 HA ILE A 59 4.613 -16.998 -13.566 1.00 0.00 H new ATOM 0 HB ILE A 59 6.759 -14.931 -12.923 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.117 -17.351 -14.697 1.00 0.00 H new ATOM 0 HG13 ILE A 59 6.246 -15.980 -15.355 1.00 0.00 H new ATOM 0 HG21 ILE A 59 8.102 -16.883 -12.194 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.638 -16.709 -11.199 1.00 0.00 H new ATOM 0 HG23 ILE A 59 6.705 -17.950 -12.473 1.00 0.00 H new ATOM 0 HD11 ILE A 59 8.672 -15.791 -15.842 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.149 -14.472 -14.769 1.00 0.00 H new ATOM 0 HD13 ILE A 59 9.033 -15.864 -14.101 1.00 0.00 H new ATOM 945 N LEU A 60 4.189 -14.573 -11.398 1.00 0.00 N ATOM 946 CA LEU A 60 3.693 -14.275 -10.060 1.00 0.00 C ATOM 947 C LEU A 60 2.201 -14.573 -9.951 1.00 0.00 C ATOM 948 O LEU A 60 1.777 -15.353 -9.100 1.00 0.00 O ATOM 949 CB LEU A 60 3.934 -12.805 -9.728 1.00 0.00 C ATOM 950 CG LEU A 60 5.426 -12.490 -9.868 1.00 0.00 C ATOM 951 CD1 LEU A 60 5.665 -11.008 -9.596 1.00 0.00 C ATOM 952 CD2 LEU A 60 6.228 -13.317 -8.861 1.00 0.00 C ATOM 0 H LEU A 60 4.356 -13.755 -11.984 1.00 0.00 H new ATOM 0 HA LEU A 60 4.232 -14.907 -9.354 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.353 -12.170 -10.396 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.599 -12.590 -8.713 1.00 0.00 H new ATOM 0 HG LEU A 60 5.746 -12.736 -10.880 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.728 -10.786 -9.696 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.101 -10.411 -10.312 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.338 -10.766 -8.585 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.289 -13.089 -8.965 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.902 -13.074 -7.849 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.065 -14.378 -9.050 1.00 0.00 H new ATOM 964 N ILE A 61 1.409 -13.936 -10.807 1.00 0.00 N ATOM 965 CA ILE A 61 -0.037 -14.131 -10.780 1.00 0.00 C ATOM 966 C ILE A 61 -0.396 -15.582 -11.076 1.00 0.00 C ATOM 967 O ILE A 61 -1.543 -15.992 -10.901 1.00 0.00 O ATOM 968 CB ILE A 61 -0.718 -13.219 -11.803 1.00 0.00 C ATOM 969 CG1 ILE A 61 -0.298 -13.639 -13.207 1.00 0.00 C ATOM 970 CG2 ILE A 61 -0.283 -11.772 -11.571 1.00 0.00 C ATOM 971 CD1 ILE A 61 -1.415 -14.444 -13.876 1.00 0.00 C ATOM 0 H ILE A 61 1.739 -13.287 -11.521 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.389 -13.878 -9.780 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.800 -13.300 -11.695 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.068 -12.757 -13.805 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.612 -14.237 -13.158 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.769 -11.124 -12.301 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.568 -11.463 -10.565 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.799 -11.695 -11.682 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.102 -14.738 -14.878 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.625 -15.336 -13.285 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.315 -13.833 -13.942 1.00 0.00 H new ATOM 983 N ARG A 62 0.582 -16.351 -11.536 1.00 0.00 N ATOM 984 CA ARG A 62 0.346 -17.753 -11.865 1.00 0.00 C ATOM 985 C ARG A 62 -0.148 -18.520 -10.645 1.00 0.00 C ATOM 986 O ARG A 62 -0.958 -19.439 -10.760 1.00 0.00 O ATOM 987 CB ARG A 62 1.646 -18.384 -12.371 1.00 0.00 C ATOM 988 CG ARG A 62 1.388 -19.095 -13.699 1.00 0.00 C ATOM 989 CD ARG A 62 2.712 -19.576 -14.302 1.00 0.00 C ATOM 990 NE ARG A 62 2.890 -19.009 -15.635 1.00 0.00 N ATOM 991 CZ ARG A 62 4.087 -18.963 -16.208 1.00 0.00 C ATOM 992 NH1 ARG A 62 5.130 -19.434 -15.581 1.00 0.00 N ATOM 993 NH2 ARG A 62 4.222 -18.444 -17.399 1.00 0.00 N ATOM 0 H ARG A 62 1.539 -16.033 -11.689 1.00 0.00 H new ATOM 0 HA ARG A 62 -0.419 -17.803 -12.640 1.00 0.00 H new ATOM 0 HB2 ARG A 62 2.409 -17.616 -12.500 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.028 -19.092 -11.636 1.00 0.00 H new ATOM 0 HG2 ARG A 62 0.721 -19.943 -13.543 1.00 0.00 H new ATOM 0 HG3 ARG A 62 0.888 -18.418 -14.392 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.542 -19.282 -13.659 1.00 0.00 H new ATOM 0 HD3 ARG A 62 2.722 -20.665 -14.357 1.00 0.00 H new ATOM 0 HE ARG A 62 2.081 -18.642 -16.135 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.026 -19.838 -14.650 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.049 -19.398 -16.022 1.00 0.00 H new ATOM 0 HH21 ARG A 62 3.408 -18.074 -17.889 1.00 0.00 H new ATOM 0 HH22 ARG A 62 5.142 -18.409 -17.839 1.00 0.00 H new ATOM 1007 N ASP A 63 0.346 -18.133 -9.481 1.00 0.00 N ATOM 1008 CA ASP A 63 -0.048 -18.785 -8.236 1.00 0.00 C ATOM 1009 C ASP A 63 -1.020 -17.911 -7.459 1.00 0.00 C ATOM 1010 O ASP A 63 -0.784 -16.715 -7.285 1.00 0.00 O ATOM 1011 CB ASP A 63 1.181 -19.055 -7.372 1.00 0.00 C ATOM 1012 CG ASP A 63 1.598 -20.514 -7.510 1.00 0.00 C ATOM 1013 OD1 ASP A 63 1.428 -21.251 -6.553 1.00 0.00 O ATOM 1014 OD2 ASP A 63 2.081 -20.872 -8.571 1.00 0.00 O ATOM 0 H ASP A 63 1.018 -17.374 -9.368 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.535 -19.728 -8.486 1.00 0.00 H new ATOM 0 HB2 ASP A 63 2.000 -18.403 -7.675 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.961 -18.827 -6.329 1.00 0.00 H new ATOM 1019 N LYS A 64 -2.109 -18.512 -6.994 1.00 0.00 N ATOM 1020 CA LYS A 64 -3.105 -17.771 -6.236 1.00 0.00 C ATOM 1021 C LYS A 64 -2.490 -17.223 -4.958 1.00 0.00 C ATOM 1022 O LYS A 64 -2.862 -16.155 -4.486 1.00 0.00 O ATOM 1023 CB LYS A 64 -4.296 -18.692 -5.901 1.00 0.00 C ATOM 1024 CG LYS A 64 -5.140 -18.138 -4.735 1.00 0.00 C ATOM 1025 CD LYS A 64 -5.709 -16.768 -5.100 1.00 0.00 C ATOM 1026 CE LYS A 64 -7.220 -16.791 -4.903 1.00 0.00 C ATOM 1027 NZ LYS A 64 -7.824 -17.780 -5.840 1.00 0.00 N ATOM 0 H LYS A 64 -2.322 -19.501 -7.128 1.00 0.00 H new ATOM 0 HA LYS A 64 -3.460 -16.934 -6.838 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -4.926 -18.806 -6.783 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -3.926 -19.684 -5.642 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -5.952 -18.828 -4.505 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.526 -18.058 -3.838 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.260 -15.995 -4.476 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.468 -16.523 -6.134 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.460 -17.055 -3.873 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.637 -15.800 -5.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -8.758 -17.442 -6.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.207 -17.894 -6.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -7.928 -18.696 -5.358 1.00 0.00 H new ATOM 1041 N ASN A 65 -1.565 -17.967 -4.385 1.00 0.00 N ATOM 1042 CA ASN A 65 -0.934 -17.537 -3.152 1.00 0.00 C ATOM 1043 C ASN A 65 0.033 -16.386 -3.414 1.00 0.00 C ATOM 1044 O ASN A 65 0.188 -15.486 -2.584 1.00 0.00 O ATOM 1045 CB ASN A 65 -0.192 -18.715 -2.522 1.00 0.00 C ATOM 1046 CG ASN A 65 -1.064 -19.372 -1.455 1.00 0.00 C ATOM 1047 OD1 ASN A 65 -1.612 -18.688 -0.591 1.00 0.00 O ATOM 1048 ND2 ASN A 65 -1.226 -20.668 -1.465 1.00 0.00 N ATOM 0 H ASN A 65 -1.236 -18.862 -4.747 1.00 0.00 H new ATOM 0 HA ASN A 65 -1.704 -17.185 -2.466 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.068 -19.444 -3.290 1.00 0.00 H new ATOM 0 HB3 ASN A 65 0.743 -18.371 -2.079 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -1.807 -21.115 -0.756 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -0.771 -21.233 -2.182 1.00 0.00 H new ATOM 1055 N ALA A 66 0.677 -16.422 -4.575 1.00 0.00 N ATOM 1056 CA ALA A 66 1.640 -15.391 -4.947 1.00 0.00 C ATOM 1057 C ALA A 66 0.967 -14.037 -5.102 1.00 0.00 C ATOM 1058 O ALA A 66 1.296 -13.067 -4.400 1.00 0.00 O ATOM 1059 CB ALA A 66 2.305 -15.777 -6.267 1.00 0.00 C ATOM 0 H ALA A 66 0.550 -17.153 -5.275 1.00 0.00 H new ATOM 0 HA ALA A 66 2.384 -15.315 -4.154 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.026 -15.010 -6.549 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.818 -16.731 -6.150 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.546 -15.866 -7.044 1.00 0.00 H new ATOM 1065 N LEU A 67 0.015 -13.966 -6.021 1.00 0.00 N ATOM 1066 CA LEU A 67 -0.683 -12.719 -6.237 1.00 0.00 C ATOM 1067 C LEU A 67 -1.321 -12.278 -4.932 1.00 0.00 C ATOM 1068 O LEU A 67 -1.440 -11.088 -4.670 1.00 0.00 O ATOM 1069 CB LEU A 67 -1.735 -12.866 -7.361 1.00 0.00 C ATOM 1070 CG LEU A 67 -3.168 -12.859 -6.802 1.00 0.00 C ATOM 1071 CD1 LEU A 67 -4.166 -12.718 -7.947 1.00 0.00 C ATOM 1072 CD2 LEU A 67 -3.419 -14.168 -6.060 1.00 0.00 C ATOM 0 H LEU A 67 -0.283 -14.741 -6.614 1.00 0.00 H new ATOM 0 HA LEU A 67 0.024 -11.955 -6.560 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.619 -12.052 -8.077 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.560 -13.795 -7.904 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.291 -12.019 -6.118 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.180 -12.713 -7.547 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.981 -11.784 -8.478 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.051 -13.556 -8.635 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.433 -14.171 -5.660 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.297 -15.005 -6.747 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.706 -14.265 -5.241 1.00 0.00 H new ATOM 1084 N GLN A 68 -1.784 -13.236 -4.138 1.00 0.00 N ATOM 1085 CA GLN A 68 -2.459 -12.897 -2.895 1.00 0.00 C ATOM 1086 C GLN A 68 -1.548 -12.062 -2.003 1.00 0.00 C ATOM 1087 O GLN A 68 -1.934 -10.994 -1.502 1.00 0.00 O ATOM 1088 CB GLN A 68 -2.892 -14.164 -2.158 1.00 0.00 C ATOM 1089 CG GLN A 68 -4.418 -14.342 -2.267 1.00 0.00 C ATOM 1090 CD GLN A 68 -5.118 -13.422 -1.286 1.00 0.00 C ATOM 1091 OE1 GLN A 68 -5.228 -12.160 -1.592 1.00 0.00 O flip ATOM 1092 NE2 GLN A 68 -5.567 -13.854 -0.225 1.00 0.00 N flip ATOM 0 H GLN A 68 -1.706 -14.235 -4.329 1.00 0.00 H new ATOM 0 HA GLN A 68 -3.346 -12.311 -3.137 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -2.385 -15.032 -2.581 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -2.599 -14.103 -1.110 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -4.747 -14.122 -3.283 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -4.687 -15.378 -2.062 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -5.474 -14.844 0.003 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -6.032 -13.222 0.427 1.00 0.00 H new ATOM 1101 N ASN A 69 -0.334 -12.552 -1.812 1.00 0.00 N ATOM 1102 CA ASN A 69 0.623 -11.844 -0.986 1.00 0.00 C ATOM 1103 C ASN A 69 0.822 -10.433 -1.515 1.00 0.00 C ATOM 1104 O ASN A 69 0.896 -9.475 -0.745 1.00 0.00 O ATOM 1105 CB ASN A 69 1.959 -12.585 -0.979 1.00 0.00 C ATOM 1106 CG ASN A 69 1.719 -14.090 -0.988 1.00 0.00 C ATOM 1107 OD1 ASN A 69 2.382 -14.841 -1.825 1.00 0.00 O flip ATOM 1108 ND2 ASN A 69 0.902 -14.594 -0.217 1.00 0.00 N flip ATOM 0 H ASN A 69 0.007 -13.426 -2.213 1.00 0.00 H new ATOM 0 HA ASN A 69 0.238 -11.793 0.033 1.00 0.00 H new ATOM 0 HB2 ASN A 69 2.549 -12.297 -1.849 1.00 0.00 H new ATOM 0 HB3 ASN A 69 2.535 -12.305 -0.097 1.00 0.00 H new ATOM 0 HD21 ASN A 69 0.386 -14.004 0.436 1.00 0.00 H new ATOM 0 HD22 ASN A 69 0.742 -15.601 -0.231 1.00 0.00 H new ATOM 1115 N ILE A 70 0.908 -10.308 -2.837 1.00 0.00 N ATOM 1116 CA ILE A 70 1.098 -8.994 -3.443 1.00 0.00 C ATOM 1117 C ILE A 70 -0.196 -8.186 -3.407 1.00 0.00 C ATOM 1118 O ILE A 70 -0.173 -6.967 -3.240 1.00 0.00 O ATOM 1119 CB ILE A 70 1.562 -9.143 -4.888 1.00 0.00 C ATOM 1120 CG1 ILE A 70 3.067 -9.408 -4.913 1.00 0.00 C ATOM 1121 CG2 ILE A 70 1.260 -7.853 -5.654 1.00 0.00 C ATOM 1122 CD1 ILE A 70 3.401 -10.325 -6.090 1.00 0.00 C ATOM 0 H ILE A 70 0.851 -11.083 -3.497 1.00 0.00 H new ATOM 0 HA ILE A 70 1.859 -8.465 -2.869 1.00 0.00 H new ATOM 0 HB ILE A 70 1.037 -9.976 -5.356 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.612 -8.468 -5.004 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.382 -9.870 -3.977 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.591 -7.957 -6.687 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.187 -7.661 -5.634 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.786 -7.021 -5.187 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.474 -10.515 -6.110 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.867 -11.269 -5.979 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.100 -9.845 -7.022 1.00 0.00 H new ATOM 1134 N ILE A 71 -1.321 -8.871 -3.568 1.00 0.00 N ATOM 1135 CA ILE A 71 -2.618 -8.206 -3.555 1.00 0.00 C ATOM 1136 C ILE A 71 -2.727 -7.300 -2.344 1.00 0.00 C ATOM 1137 O ILE A 71 -3.101 -6.135 -2.462 1.00 0.00 O ATOM 1138 CB ILE A 71 -3.747 -9.244 -3.524 1.00 0.00 C ATOM 1139 CG1 ILE A 71 -4.104 -9.672 -4.950 1.00 0.00 C ATOM 1140 CG2 ILE A 71 -4.993 -8.679 -2.824 1.00 0.00 C ATOM 1141 CD1 ILE A 71 -5.035 -8.644 -5.585 1.00 0.00 C ATOM 0 H ILE A 71 -1.362 -9.880 -3.708 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.710 -7.607 -4.461 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.398 -10.110 -2.962 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.197 -9.771 -5.547 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -4.585 -10.650 -4.935 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -5.779 -9.434 -2.815 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -4.742 -8.405 -1.799 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -5.343 -7.797 -3.360 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.284 -8.956 -6.599 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -5.948 -8.566 -4.995 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -4.539 -7.674 -5.615 1.00 0.00 H new ATOM 1153 N LEU A 72 -2.413 -7.839 -1.172 1.00 0.00 N ATOM 1154 CA LEU A 72 -2.504 -7.042 0.042 1.00 0.00 C ATOM 1155 C LEU A 72 -1.461 -5.932 0.038 1.00 0.00 C ATOM 1156 O LEU A 72 -1.516 -5.013 0.857 1.00 0.00 O ATOM 1157 CB LEU A 72 -2.302 -7.933 1.256 1.00 0.00 C ATOM 1158 CG LEU A 72 -3.337 -9.054 1.236 1.00 0.00 C ATOM 1159 CD1 LEU A 72 -2.640 -10.365 1.567 1.00 0.00 C ATOM 1160 CD2 LEU A 72 -4.424 -8.749 2.274 1.00 0.00 C ATOM 0 H LEU A 72 -2.101 -8.801 -1.038 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.493 -6.586 0.085 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.296 -8.351 1.251 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.400 -7.348 2.171 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.801 -9.132 0.253 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.368 -11.177 1.557 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.865 -10.562 0.826 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.187 -10.297 2.556 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.168 -9.545 2.266 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.973 -8.683 3.264 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.904 -7.801 2.030 1.00 0.00 H new ATOM 1172 N TYR A 73 -0.513 -6.021 -0.886 1.00 0.00 N ATOM 1173 CA TYR A 73 0.538 -5.018 -0.982 1.00 0.00 C ATOM 1174 C TYR A 73 1.065 -4.647 0.397 1.00 0.00 C ATOM 1175 O TYR A 73 1.235 -3.467 0.701 1.00 0.00 O ATOM 1176 CB TYR A 73 0.007 -3.762 -1.671 1.00 0.00 C ATOM 1177 CG TYR A 73 -0.305 -4.077 -3.110 1.00 0.00 C ATOM 1178 CD1 TYR A 73 -1.632 -4.119 -3.546 1.00 0.00 C ATOM 1179 CD2 TYR A 73 0.736 -4.332 -4.008 1.00 0.00 C ATOM 1180 CE1 TYR A 73 -1.920 -4.414 -4.882 1.00 0.00 C ATOM 1181 CE2 TYR A 73 0.450 -4.625 -5.346 1.00 0.00 C ATOM 1182 CZ TYR A 73 -0.879 -4.668 -5.783 1.00 0.00 C ATOM 1183 OH TYR A 73 -1.164 -4.958 -7.102 1.00 0.00 O ATOM 0 H TYR A 73 -0.450 -6.771 -1.574 1.00 0.00 H new ATOM 0 HA TYR A 73 1.353 -5.443 -1.569 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.889 -3.406 -1.162 1.00 0.00 H new ATOM 0 HB3 TYR A 73 0.745 -2.962 -1.614 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -2.435 -3.924 -2.851 1.00 0.00 H new ATOM 0 HD2 TYR A 73 1.761 -4.303 -3.669 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -2.946 -4.446 -5.219 1.00 0.00 H new ATOM 0 HE2 TYR A 73 1.254 -4.818 -6.041 1.00 0.00 H new ATOM 0 HH TYR A 73 -0.329 -5.107 -7.592 1.00 0.00 H new ATOM 1193 N HIS A 74 1.319 -5.663 1.228 1.00 0.00 N ATOM 1194 CA HIS A 74 1.834 -5.432 2.578 1.00 0.00 C ATOM 1195 C HIS A 74 0.825 -4.655 3.410 1.00 0.00 C ATOM 1196 O HIS A 74 1.178 -3.693 4.091 1.00 0.00 O ATOM 1197 CB HIS A 74 3.160 -4.667 2.520 1.00 0.00 C ATOM 1198 CG HIS A 74 4.123 -5.414 1.642 1.00 0.00 C ATOM 1199 ND1 HIS A 74 4.069 -5.353 0.256 1.00 0.00 N ATOM 1200 CD2 HIS A 74 5.166 -6.251 1.940 1.00 0.00 C ATOM 1201 CE1 HIS A 74 5.056 -6.135 -0.221 1.00 0.00 C ATOM 1202 NE2 HIS A 74 5.754 -6.706 0.763 1.00 0.00 N ATOM 0 H HIS A 74 1.177 -6.645 0.991 1.00 0.00 H new ATOM 0 HA HIS A 74 2.004 -6.401 3.048 1.00 0.00 H new ATOM 0 HB2 HIS A 74 2.997 -3.662 2.129 1.00 0.00 H new ATOM 0 HB3 HIS A 74 3.574 -4.556 3.522 1.00 0.00 H new ATOM 0 HD2 HIS A 74 5.484 -6.517 2.937 1.00 0.00 H new ATOM 0 HE1 HIS A 74 5.258 -6.282 -1.272 1.00 0.00 H new ATOM 0 HE2 HIS A 74 6.548 -7.340 0.672 1.00 0.00 H new ATOM 1211 N LEU A 75 -0.435 -5.078 3.360 1.00 0.00 N ATOM 1212 CA LEU A 75 -1.470 -4.401 4.127 1.00 0.00 C ATOM 1213 C LEU A 75 -1.149 -4.506 5.604 1.00 0.00 C ATOM 1214 O LEU A 75 -0.684 -5.543 6.063 1.00 0.00 O ATOM 1215 CB LEU A 75 -2.843 -5.039 3.852 1.00 0.00 C ATOM 1216 CG LEU A 75 -3.944 -4.409 4.730 1.00 0.00 C ATOM 1217 CD1 LEU A 75 -4.384 -3.081 4.136 1.00 0.00 C ATOM 1218 CD2 LEU A 75 -5.144 -5.359 4.798 1.00 0.00 C ATOM 0 H LEU A 75 -0.758 -5.872 2.807 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.504 -3.353 3.830 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.099 -4.915 2.800 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.792 -6.111 4.043 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.551 -4.240 5.732 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.161 -2.642 4.761 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.531 -2.403 4.088 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.775 -3.243 3.132 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.924 -4.916 5.418 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.531 -5.528 3.793 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.832 -6.309 5.231 1.00 0.00 H new ATOM 1230 N THR A 76 -1.429 -3.440 6.346 1.00 0.00 N ATOM 1231 CA THR A 76 -1.181 -3.451 7.784 1.00 0.00 C ATOM 1232 C THR A 76 -2.376 -2.863 8.553 1.00 0.00 C ATOM 1233 O THR A 76 -2.940 -1.862 8.132 1.00 0.00 O ATOM 1234 CB THR A 76 0.088 -2.637 8.104 1.00 0.00 C ATOM 1235 OG1 THR A 76 1.148 -3.524 8.418 1.00 0.00 O ATOM 1236 CG2 THR A 76 -0.150 -1.701 9.300 1.00 0.00 C ATOM 0 H THR A 76 -1.821 -2.571 5.984 1.00 0.00 H new ATOM 0 HA THR A 76 -1.042 -4.486 8.097 1.00 0.00 H new ATOM 0 HB THR A 76 0.342 -2.036 7.231 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.934 -3.009 8.697 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.759 -1.137 9.507 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.960 -1.010 9.066 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.418 -2.291 10.176 1.00 0.00 H new ATOM 1244 N PRO A 77 -2.739 -3.423 9.687 1.00 0.00 N ATOM 1245 CA PRO A 77 -3.846 -2.876 10.532 1.00 0.00 C ATOM 1246 C PRO A 77 -3.405 -1.659 11.335 1.00 0.00 C ATOM 1247 O PRO A 77 -2.212 -1.430 11.542 1.00 0.00 O ATOM 1248 CB PRO A 77 -4.198 -4.038 11.458 1.00 0.00 C ATOM 1249 CG PRO A 77 -2.930 -4.818 11.597 1.00 0.00 C ATOM 1250 CD PRO A 77 -2.160 -4.643 10.285 1.00 0.00 C ATOM 0 HA PRO A 77 -4.688 -2.531 9.932 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.549 -3.679 12.426 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.995 -4.651 11.037 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -2.343 -4.456 12.441 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -3.142 -5.871 11.784 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -1.090 -4.531 10.463 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -2.286 -5.506 9.631 1.00 0.00 H new ATOM 1258 N GLY A 78 -4.381 -0.874 11.772 1.00 0.00 N ATOM 1259 CA GLY A 78 -4.090 0.328 12.537 1.00 0.00 C ATOM 1260 C GLY A 78 -3.248 1.294 11.716 1.00 0.00 C ATOM 1261 O GLY A 78 -2.182 0.934 11.216 1.00 0.00 O ATOM 0 H GLY A 78 -5.373 -1.047 11.611 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -5.021 0.811 12.834 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -3.561 0.064 13.453 1.00 0.00 H new ATOM 1265 N VAL A 79 -3.738 2.517 11.573 1.00 0.00 N ATOM 1266 CA VAL A 79 -3.028 3.532 10.797 1.00 0.00 C ATOM 1267 C VAL A 79 -1.561 3.576 11.194 1.00 0.00 C ATOM 1268 O VAL A 79 -1.224 3.581 12.377 1.00 0.00 O ATOM 1269 CB VAL A 79 -3.655 4.910 11.031 1.00 0.00 C ATOM 1270 CG1 VAL A 79 -5.099 4.910 10.531 1.00 0.00 C ATOM 1271 CG2 VAL A 79 -3.636 5.237 12.529 1.00 0.00 C ATOM 0 H VAL A 79 -4.618 2.832 11.980 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.106 3.271 9.742 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.082 5.661 10.487 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.542 5.892 10.699 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.115 4.682 9.465 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.671 4.156 11.072 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.083 6.218 12.693 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.205 4.483 13.073 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.607 5.243 12.887 1.00 0.00 H new ATOM 1281 N PHE A 80 -0.692 3.603 10.188 1.00 0.00 N ATOM 1282 CA PHE A 80 0.743 3.641 10.431 1.00 0.00 C ATOM 1283 C PHE A 80 1.191 5.065 10.763 1.00 0.00 C ATOM 1284 O PHE A 80 1.076 5.975 9.941 1.00 0.00 O ATOM 1285 CB PHE A 80 1.505 3.130 9.201 1.00 0.00 C ATOM 1286 CG PHE A 80 2.387 4.232 8.671 1.00 0.00 C ATOM 1287 CD1 PHE A 80 1.957 5.010 7.590 1.00 0.00 C ATOM 1288 CD2 PHE A 80 3.619 4.497 9.281 1.00 0.00 C ATOM 1289 CE1 PHE A 80 2.759 6.053 7.117 1.00 0.00 C ATOM 1290 CE2 PHE A 80 4.424 5.539 8.804 1.00 0.00 C ATOM 1291 CZ PHE A 80 3.992 6.317 7.724 1.00 0.00 C ATOM 0 H PHE A 80 -0.956 3.599 9.203 1.00 0.00 H new ATOM 0 HA PHE A 80 0.965 2.995 11.280 1.00 0.00 H new ATOM 0 HB2 PHE A 80 2.108 2.262 9.467 1.00 0.00 H new ATOM 0 HB3 PHE A 80 0.803 2.808 8.432 1.00 0.00 H new ATOM 0 HD1 PHE A 80 1.006 4.805 7.121 1.00 0.00 H new ATOM 0 HD2 PHE A 80 3.948 3.899 10.118 1.00 0.00 H new ATOM 0 HE1 PHE A 80 2.427 6.655 6.284 1.00 0.00 H new ATOM 0 HE2 PHE A 80 5.377 5.742 9.269 1.00 0.00 H new ATOM 0 HZ PHE A 80 4.611 7.123 7.358 1.00 0.00 H new ATOM 1301 N ILE A 81 1.707 5.251 11.977 1.00 0.00 N ATOM 1302 CA ILE A 81 2.184 6.566 12.409 1.00 0.00 C ATOM 1303 C ILE A 81 3.665 6.495 12.732 1.00 0.00 C ATOM 1304 O ILE A 81 4.190 5.427 13.053 1.00 0.00 O ATOM 1305 CB ILE A 81 1.420 7.036 13.655 1.00 0.00 C ATOM 1306 CG1 ILE A 81 -0.089 6.872 13.416 1.00 0.00 C ATOM 1307 CG2 ILE A 81 1.743 8.506 13.962 1.00 0.00 C ATOM 1308 CD1 ILE A 81 -0.532 7.659 12.169 1.00 0.00 C ATOM 0 H ILE A 81 1.806 4.514 12.675 1.00 0.00 H new ATOM 0 HA ILE A 81 2.015 7.275 11.599 1.00 0.00 H new ATOM 0 HB ILE A 81 1.725 6.431 14.509 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.330 5.816 13.290 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.641 7.223 14.288 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.193 8.822 14.848 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.813 8.614 14.142 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.453 9.127 13.114 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.604 7.529 12.018 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.311 8.717 12.309 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.005 7.289 11.295 1.00 0.00 H new ATOM 1320 N GLY A 82 4.335 7.635 12.666 1.00 0.00 N ATOM 1321 CA GLY A 82 5.756 7.690 12.974 1.00 0.00 C ATOM 1322 C GLY A 82 6.034 7.146 14.377 1.00 0.00 C ATOM 1323 O GLY A 82 7.158 7.229 14.868 1.00 0.00 O ATOM 0 H GLY A 82 3.921 8.530 12.404 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.314 7.111 12.238 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.108 8.719 12.903 1.00 0.00 H new ATOM 1327 N LYS A 83 5.002 6.592 15.020 1.00 0.00 N ATOM 1328 CA LYS A 83 5.152 6.040 16.358 1.00 0.00 C ATOM 1329 C LYS A 83 5.936 6.999 17.229 1.00 0.00 C ATOM 1330 O LYS A 83 6.707 6.586 18.098 1.00 0.00 O ATOM 1331 CB LYS A 83 5.873 4.697 16.289 1.00 0.00 C ATOM 1332 CG LYS A 83 4.983 3.677 15.578 1.00 0.00 C ATOM 1333 CD LYS A 83 4.462 2.657 16.593 1.00 0.00 C ATOM 1334 CE LYS A 83 3.602 1.614 15.875 1.00 0.00 C ATOM 1335 NZ LYS A 83 3.194 0.555 16.843 1.00 0.00 N ATOM 0 H LYS A 83 4.061 6.517 14.633 1.00 0.00 H new ATOM 0 HA LYS A 83 4.163 5.892 16.792 1.00 0.00 H new ATOM 0 HB2 LYS A 83 6.817 4.806 15.756 1.00 0.00 H new ATOM 0 HB3 LYS A 83 6.113 4.349 17.294 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.148 4.183 15.094 1.00 0.00 H new ATOM 0 HG3 LYS A 83 5.547 3.171 14.794 1.00 0.00 H new ATOM 0 HD2 LYS A 83 5.297 2.170 17.097 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.876 3.160 17.362 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.720 2.088 15.445 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.161 1.172 15.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 2.610 -0.154 16.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 4.042 0.096 17.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 2.646 0.984 17.616 1.00 0.00 H new ATOM 1349 N GLY A 84 5.734 8.282 16.990 1.00 0.00 N ATOM 1350 CA GLY A 84 6.434 9.304 17.764 1.00 0.00 C ATOM 1351 C GLY A 84 7.906 8.929 17.955 1.00 0.00 C ATOM 1352 O GLY A 84 8.576 9.436 18.856 1.00 0.00 O ATOM 0 H GLY A 84 5.101 8.643 16.277 1.00 0.00 H new ATOM 0 HA2 GLY A 84 6.362 10.265 17.255 1.00 0.00 H new ATOM 0 HA3 GLY A 84 5.955 9.422 18.736 1.00 0.00 H new ATOM 1356 N PHE A 85 8.396 8.031 17.103 1.00 0.00 N ATOM 1357 CA PHE A 85 9.784 7.577 17.177 1.00 0.00 C ATOM 1358 C PHE A 85 10.729 8.620 16.605 1.00 0.00 C ATOM 1359 O PHE A 85 10.293 9.643 16.084 1.00 0.00 O ATOM 1360 CB PHE A 85 9.952 6.265 16.416 1.00 0.00 C ATOM 1361 CG PHE A 85 10.333 5.171 17.385 1.00 0.00 C ATOM 1362 CD1 PHE A 85 9.409 4.174 17.712 1.00 0.00 C ATOM 1363 CD2 PHE A 85 11.612 5.152 17.958 1.00 0.00 C ATOM 1364 CE1 PHE A 85 9.760 3.160 18.609 1.00 0.00 C ATOM 1365 CE2 PHE A 85 11.964 4.139 18.854 1.00 0.00 C ATOM 1366 CZ PHE A 85 11.038 3.142 19.180 1.00 0.00 C ATOM 0 H PHE A 85 7.853 7.603 16.353 1.00 0.00 H new ATOM 0 HA PHE A 85 10.030 7.421 18.227 1.00 0.00 H new ATOM 0 HB2 PHE A 85 9.025 6.007 15.904 1.00 0.00 H new ATOM 0 HB3 PHE A 85 10.720 6.372 15.650 1.00 0.00 H new ATOM 0 HD1 PHE A 85 8.423 4.187 17.271 1.00 0.00 H new ATOM 0 HD2 PHE A 85 12.327 5.922 17.707 1.00 0.00 H new ATOM 0 HE1 PHE A 85 9.045 2.391 18.861 1.00 0.00 H new ATOM 0 HE2 PHE A 85 12.950 4.126 19.294 1.00 0.00 H new ATOM 0 HZ PHE A 85 11.309 2.359 19.872 1.00 0.00 H new ATOM 1376 N GLU A 86 12.025 8.364 16.716 1.00 0.00 N ATOM 1377 CA GLU A 86 13.011 9.310 16.215 1.00 0.00 C ATOM 1378 C GLU A 86 13.126 9.232 14.682 1.00 0.00 C ATOM 1379 O GLU A 86 13.298 8.145 14.123 1.00 0.00 O ATOM 1380 CB GLU A 86 14.384 9.042 16.853 1.00 0.00 C ATOM 1381 CG GLU A 86 15.376 10.156 16.477 1.00 0.00 C ATOM 1382 CD GLU A 86 15.126 11.397 17.333 1.00 0.00 C ATOM 1383 OE1 GLU A 86 14.155 11.397 18.071 1.00 0.00 O ATOM 1384 OE2 GLU A 86 15.913 12.324 17.239 1.00 0.00 O ATOM 0 H GLU A 86 12.414 7.523 17.142 1.00 0.00 H new ATOM 0 HA GLU A 86 12.679 10.312 16.486 1.00 0.00 H new ATOM 0 HB2 GLU A 86 14.284 8.986 17.937 1.00 0.00 H new ATOM 0 HB3 GLU A 86 14.766 8.078 16.518 1.00 0.00 H new ATOM 0 HG2 GLU A 86 16.398 9.806 16.621 1.00 0.00 H new ATOM 0 HG3 GLU A 86 15.270 10.406 15.421 1.00 0.00 H new ATOM 1391 N PRO A 87 13.054 10.348 13.984 1.00 0.00 N ATOM 1392 CA PRO A 87 13.173 10.357 12.492 1.00 0.00 C ATOM 1393 C PRO A 87 14.554 9.880 12.042 1.00 0.00 C ATOM 1394 O PRO A 87 15.573 10.432 12.460 1.00 0.00 O ATOM 1395 CB PRO A 87 12.941 11.825 12.108 1.00 0.00 C ATOM 1396 CG PRO A 87 13.236 12.610 13.340 1.00 0.00 C ATOM 1397 CD PRO A 87 12.855 11.719 14.513 1.00 0.00 C ATOM 0 HA PRO A 87 12.462 9.683 12.014 1.00 0.00 H new ATOM 0 HB2 PRO A 87 13.593 12.124 11.287 1.00 0.00 H new ATOM 0 HB3 PRO A 87 11.915 11.986 11.776 1.00 0.00 H new ATOM 0 HG2 PRO A 87 14.290 12.882 13.385 1.00 0.00 H new ATOM 0 HG3 PRO A 87 12.666 13.539 13.356 1.00 0.00 H new ATOM 0 HD2 PRO A 87 13.484 11.909 15.383 1.00 0.00 H new ATOM 0 HD3 PRO A 87 11.823 11.884 14.824 1.00 0.00 H new ATOM 1405 N GLY A 88 14.583 8.849 11.197 1.00 0.00 N ATOM 1406 CA GLY A 88 15.842 8.305 10.712 1.00 0.00 C ATOM 1407 C GLY A 88 15.987 6.843 11.122 1.00 0.00 C ATOM 1408 O GLY A 88 16.885 6.145 10.655 1.00 0.00 O ATOM 0 H GLY A 88 13.752 8.379 10.839 1.00 0.00 H new ATOM 0 HA2 GLY A 88 15.887 8.390 9.626 1.00 0.00 H new ATOM 0 HA3 GLY A 88 16.674 8.885 11.112 1.00 0.00 H new ATOM 1412 N VAL A 89 15.101 6.381 12.000 1.00 0.00 N ATOM 1413 CA VAL A 89 15.153 4.999 12.448 1.00 0.00 C ATOM 1414 C VAL A 89 14.184 4.139 11.639 1.00 0.00 C ATOM 1415 O VAL A 89 13.014 4.484 11.482 1.00 0.00 O ATOM 1416 CB VAL A 89 14.798 4.925 13.930 1.00 0.00 C ATOM 1417 CG1 VAL A 89 15.723 5.853 14.720 1.00 0.00 C ATOM 1418 CG2 VAL A 89 13.345 5.360 14.128 1.00 0.00 C ATOM 0 H VAL A 89 14.350 6.937 12.409 1.00 0.00 H new ATOM 0 HA VAL A 89 16.164 4.619 12.299 1.00 0.00 H new ATOM 0 HB VAL A 89 14.921 3.902 14.285 1.00 0.00 H new ATOM 0 HG11 VAL A 89 15.471 5.802 15.779 1.00 0.00 H new ATOM 0 HG12 VAL A 89 16.758 5.542 14.578 1.00 0.00 H new ATOM 0 HG13 VAL A 89 15.600 6.877 14.367 1.00 0.00 H new ATOM 0 HG21 VAL A 89 13.090 5.307 15.187 1.00 0.00 H new ATOM 0 HG22 VAL A 89 13.220 6.384 13.775 1.00 0.00 H new ATOM 0 HG23 VAL A 89 12.687 4.699 13.563 1.00 0.00 H new ATOM 1428 N THR A 90 14.676 3.018 11.125 1.00 0.00 N ATOM 1429 CA THR A 90 13.837 2.125 10.336 1.00 0.00 C ATOM 1430 C THR A 90 12.919 1.307 11.251 1.00 0.00 C ATOM 1431 O THR A 90 13.378 0.414 11.962 1.00 0.00 O ATOM 1432 CB THR A 90 14.717 1.172 9.525 1.00 0.00 C ATOM 1433 OG1 THR A 90 16.084 1.448 9.797 1.00 0.00 O ATOM 1434 CG2 THR A 90 14.443 1.353 8.032 1.00 0.00 C ATOM 0 H THR A 90 15.641 2.708 11.239 1.00 0.00 H new ATOM 0 HA THR A 90 13.226 2.727 9.663 1.00 0.00 H new ATOM 0 HB THR A 90 14.489 0.144 9.805 1.00 0.00 H new ATOM 0 HG1 THR A 90 16.650 0.838 9.280 1.00 0.00 H new ATOM 0 HG21 THR A 90 15.073 0.671 7.461 1.00 0.00 H new ATOM 0 HG22 THR A 90 13.395 1.137 7.826 1.00 0.00 H new ATOM 0 HG23 THR A 90 14.665 2.380 7.743 1.00 0.00 H new ATOM 1442 N ASN A 91 11.627 1.619 11.231 1.00 0.00 N ATOM 1443 CA ASN A 91 10.656 0.912 12.059 1.00 0.00 C ATOM 1444 C ASN A 91 10.281 -0.429 11.428 1.00 0.00 C ATOM 1445 O ASN A 91 9.577 -0.476 10.420 1.00 0.00 O ATOM 1446 CB ASN A 91 9.403 1.778 12.218 1.00 0.00 C ATOM 1447 CG ASN A 91 9.327 2.329 13.639 1.00 0.00 C ATOM 1448 OD1 ASN A 91 8.554 1.829 14.456 1.00 0.00 O ATOM 1449 ND2 ASN A 91 10.084 3.336 13.987 1.00 0.00 N ATOM 0 H ASN A 91 11.228 2.357 10.650 1.00 0.00 H new ATOM 0 HA ASN A 91 11.099 0.719 13.036 1.00 0.00 H new ATOM 0 HB2 ASN A 91 9.425 2.599 11.501 1.00 0.00 H new ATOM 0 HB3 ASN A 91 8.513 1.188 12.000 1.00 0.00 H new ATOM 0 HD21 ASN A 91 10.034 3.708 14.936 1.00 0.00 H new ATOM 0 HD22 ASN A 91 10.725 3.750 13.310 1.00 0.00 H new ATOM 1456 N ILE A 92 10.762 -1.515 12.033 1.00 0.00 N ATOM 1457 CA ILE A 92 10.478 -2.859 11.530 1.00 0.00 C ATOM 1458 C ILE A 92 9.255 -3.434 12.212 1.00 0.00 C ATOM 1459 O ILE A 92 9.249 -3.660 13.427 1.00 0.00 O ATOM 1460 CB ILE A 92 11.668 -3.775 11.771 1.00 0.00 C ATOM 1461 CG1 ILE A 92 12.964 -2.994 11.528 1.00 0.00 C ATOM 1462 CG2 ILE A 92 11.577 -4.966 10.815 1.00 0.00 C ATOM 1463 CD1 ILE A 92 12.945 -2.347 10.141 1.00 0.00 C ATOM 0 H ILE A 92 11.347 -1.491 12.868 1.00 0.00 H new ATOM 0 HA ILE A 92 10.288 -2.788 10.459 1.00 0.00 H new ATOM 0 HB ILE A 92 11.664 -4.139 12.799 1.00 0.00 H new ATOM 0 HG12 ILE A 92 13.082 -2.226 12.293 1.00 0.00 H new ATOM 0 HG13 ILE A 92 13.820 -3.663 11.613 1.00 0.00 H new ATOM 0 HG21 ILE A 92 12.426 -5.630 10.979 1.00 0.00 H new ATOM 0 HG22 ILE A 92 10.650 -5.510 10.998 1.00 0.00 H new ATOM 0 HG23 ILE A 92 11.590 -4.608 9.786 1.00 0.00 H new ATOM 0 HD11 ILE A 92 13.872 -1.796 9.984 1.00 0.00 H new ATOM 0 HD12 ILE A 92 12.849 -3.121 9.380 1.00 0.00 H new ATOM 0 HD13 ILE A 92 12.100 -1.662 10.070 1.00 0.00 H new ATOM 1475 N LEU A 93 8.217 -3.648 11.415 1.00 0.00 N ATOM 1476 CA LEU A 93 6.959 -4.183 11.927 1.00 0.00 C ATOM 1477 C LEU A 93 6.385 -5.237 10.989 1.00 0.00 C ATOM 1478 O LEU A 93 6.761 -5.312 9.819 1.00 0.00 O ATOM 1479 CB LEU A 93 5.947 -3.064 12.205 1.00 0.00 C ATOM 1480 CG LEU A 93 5.421 -2.432 10.925 1.00 0.00 C ATOM 1481 CD1 LEU A 93 6.583 -2.117 10.009 1.00 0.00 C ATOM 1482 CD2 LEU A 93 4.409 -3.347 10.208 1.00 0.00 C ATOM 0 H LEU A 93 8.219 -3.460 10.412 1.00 0.00 H new ATOM 0 HA LEU A 93 7.171 -4.672 12.878 1.00 0.00 H new ATOM 0 HB2 LEU A 93 5.112 -3.466 12.779 1.00 0.00 H new ATOM 0 HB3 LEU A 93 6.417 -2.297 12.820 1.00 0.00 H new ATOM 0 HG LEU A 93 4.897 -1.513 11.188 1.00 0.00 H new ATOM 0 HD11 LEU A 93 6.210 -1.664 9.091 1.00 0.00 H new ATOM 0 HD12 LEU A 93 7.261 -1.423 10.506 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.117 -3.037 9.769 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.058 -2.859 9.299 1.00 0.00 H new ATOM 0 HD22 LEU A 93 4.890 -4.290 9.950 1.00 0.00 H new ATOM 0 HD23 LEU A 93 3.562 -3.540 10.867 1.00 0.00 H new ATOM 1494 N LYS A 94 5.481 -6.056 11.510 1.00 0.00 N ATOM 1495 CA LYS A 94 4.869 -7.100 10.705 1.00 0.00 C ATOM 1496 C LYS A 94 3.554 -6.625 10.100 1.00 0.00 C ATOM 1497 O LYS A 94 2.740 -5.996 10.774 1.00 0.00 O ATOM 1498 CB LYS A 94 4.609 -8.329 11.556 1.00 0.00 C ATOM 1499 CG LYS A 94 5.647 -9.399 11.209 1.00 0.00 C ATOM 1500 CD LYS A 94 5.455 -10.612 12.117 1.00 0.00 C ATOM 1501 CE LYS A 94 6.230 -11.805 11.553 1.00 0.00 C ATOM 1502 NZ LYS A 94 5.338 -12.601 10.662 1.00 0.00 N ATOM 0 H LYS A 94 5.159 -6.017 12.477 1.00 0.00 H new ATOM 0 HA LYS A 94 5.559 -7.347 9.898 1.00 0.00 H new ATOM 0 HB2 LYS A 94 4.669 -8.075 12.614 1.00 0.00 H new ATOM 0 HB3 LYS A 94 3.603 -8.707 11.375 1.00 0.00 H new ATOM 0 HG2 LYS A 94 5.545 -9.694 10.165 1.00 0.00 H new ATOM 0 HG3 LYS A 94 6.653 -8.997 11.330 1.00 0.00 H new ATOM 0 HD2 LYS A 94 5.803 -10.383 13.124 1.00 0.00 H new ATOM 0 HD3 LYS A 94 4.396 -10.857 12.194 1.00 0.00 H new ATOM 0 HE2 LYS A 94 7.100 -11.457 10.997 1.00 0.00 H new ATOM 0 HE3 LYS A 94 6.600 -12.429 12.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 5.724 -13.560 10.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 4.388 -12.657 11.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 5.279 -12.142 9.731 1.00 0.00 H new ATOM 1516 N THR A 95 3.345 -6.942 8.825 1.00 0.00 N ATOM 1517 CA THR A 95 2.117 -6.547 8.139 1.00 0.00 C ATOM 1518 C THR A 95 1.161 -7.731 8.024 1.00 0.00 C ATOM 1519 O THR A 95 1.516 -8.862 8.351 1.00 0.00 O ATOM 1520 CB THR A 95 2.446 -6.010 6.738 1.00 0.00 C ATOM 1521 OG1 THR A 95 2.859 -7.084 5.907 1.00 0.00 O ATOM 1522 CG2 THR A 95 3.564 -4.968 6.824 1.00 0.00 C ATOM 0 H THR A 95 4.004 -7.467 8.249 1.00 0.00 H new ATOM 0 HA THR A 95 1.635 -5.763 8.722 1.00 0.00 H new ATOM 0 HB THR A 95 1.557 -5.541 6.316 1.00 0.00 H new ATOM 0 HG1 THR A 95 3.668 -7.493 6.279 1.00 0.00 H new ATOM 0 HG21 THR A 95 3.790 -4.593 5.826 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.243 -4.141 7.458 1.00 0.00 H new ATOM 0 HG23 THR A 95 4.456 -5.426 7.250 1.00 0.00 H new ATOM 1530 N THR A 96 -0.056 -7.463 7.555 1.00 0.00 N ATOM 1531 CA THR A 96 -1.052 -8.516 7.405 1.00 0.00 C ATOM 1532 C THR A 96 -0.583 -9.546 6.379 1.00 0.00 C ATOM 1533 O THR A 96 -0.881 -10.734 6.498 1.00 0.00 O ATOM 1534 CB THR A 96 -2.413 -7.908 6.991 1.00 0.00 C ATOM 1535 OG1 THR A 96 -3.412 -8.344 7.903 1.00 0.00 O ATOM 1536 CG2 THR A 96 -2.807 -8.345 5.577 1.00 0.00 C ATOM 0 H THR A 96 -0.372 -6.534 7.275 1.00 0.00 H new ATOM 0 HA THR A 96 -1.179 -9.021 8.362 1.00 0.00 H new ATOM 0 HB THR A 96 -2.324 -6.822 7.006 1.00 0.00 H new ATOM 0 HG1 THR A 96 -4.296 -8.242 7.493 1.00 0.00 H new ATOM 0 HG21 THR A 96 -3.768 -7.902 5.314 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.048 -8.013 4.869 1.00 0.00 H new ATOM 0 HG23 THR A 96 -2.886 -9.432 5.541 1.00 0.00 H new ATOM 1544 N GLN A 97 0.132 -9.077 5.360 1.00 0.00 N ATOM 1545 CA GLN A 97 0.616 -9.962 4.308 1.00 0.00 C ATOM 1546 C GLN A 97 1.425 -11.113 4.898 1.00 0.00 C ATOM 1547 O GLN A 97 1.463 -12.206 4.334 1.00 0.00 O ATOM 1548 CB GLN A 97 1.484 -9.172 3.329 1.00 0.00 C ATOM 1549 CG GLN A 97 2.072 -10.123 2.286 1.00 0.00 C ATOM 1550 CD GLN A 97 3.530 -10.425 2.619 1.00 0.00 C ATOM 1551 OE1 GLN A 97 3.818 -11.381 3.340 1.00 0.00 O ATOM 1552 NE2 GLN A 97 4.468 -9.661 2.134 1.00 0.00 N ATOM 0 H GLN A 97 0.387 -8.096 5.242 1.00 0.00 H new ATOM 0 HA GLN A 97 -0.244 -10.377 3.783 1.00 0.00 H new ATOM 0 HB2 GLN A 97 0.889 -8.401 2.839 1.00 0.00 H new ATOM 0 HB3 GLN A 97 2.285 -8.663 3.865 1.00 0.00 H new ATOM 0 HG2 GLN A 97 1.497 -11.049 2.260 1.00 0.00 H new ATOM 0 HG3 GLN A 97 2.002 -9.677 1.294 1.00 0.00 H new ATOM 0 HE21 GLN A 97 4.224 -8.870 1.537 1.00 0.00 H new ATOM 0 HE22 GLN A 97 5.446 -9.854 2.351 1.00 0.00 H new ATOM 1561 N GLY A 98 2.066 -10.858 6.034 1.00 0.00 N ATOM 1562 CA GLY A 98 2.872 -11.877 6.698 1.00 0.00 C ATOM 1563 C GLY A 98 4.319 -11.421 6.831 1.00 0.00 C ATOM 1564 O GLY A 98 4.976 -11.689 7.837 1.00 0.00 O ATOM 0 H GLY A 98 2.044 -9.958 6.513 1.00 0.00 H new ATOM 0 HA2 GLY A 98 2.460 -12.087 7.685 1.00 0.00 H new ATOM 0 HA3 GLY A 98 2.830 -12.807 6.131 1.00 0.00 H new ATOM 1568 N SER A 99 4.814 -10.730 5.809 1.00 0.00 N ATOM 1569 CA SER A 99 6.187 -10.241 5.824 1.00 0.00 C ATOM 1570 C SER A 99 6.290 -8.944 6.620 1.00 0.00 C ATOM 1571 O SER A 99 5.276 -8.345 6.984 1.00 0.00 O ATOM 1572 CB SER A 99 6.671 -10.000 4.393 1.00 0.00 C ATOM 1573 OG SER A 99 6.294 -8.691 3.986 1.00 0.00 O ATOM 0 H SER A 99 4.289 -10.498 4.966 1.00 0.00 H new ATOM 0 HA SER A 99 6.813 -10.996 6.300 1.00 0.00 H new ATOM 0 HB2 SER A 99 7.754 -10.113 4.339 1.00 0.00 H new ATOM 0 HB3 SER A 99 6.239 -10.741 3.721 1.00 0.00 H new ATOM 0 HG SER A 99 6.736 -8.472 3.139 1.00 0.00 H new ATOM 1579 N LYS A 100 7.521 -8.517 6.886 1.00 0.00 N ATOM 1580 CA LYS A 100 7.749 -7.289 7.639 1.00 0.00 C ATOM 1581 C LYS A 100 8.209 -6.171 6.721 1.00 0.00 C ATOM 1582 O LYS A 100 8.958 -6.402 5.771 1.00 0.00 O ATOM 1583 CB LYS A 100 8.800 -7.516 8.727 1.00 0.00 C ATOM 1584 CG LYS A 100 9.877 -8.465 8.197 1.00 0.00 C ATOM 1585 CD LYS A 100 11.010 -8.581 9.220 1.00 0.00 C ATOM 1586 CE LYS A 100 12.105 -9.498 8.667 1.00 0.00 C ATOM 1587 NZ LYS A 100 12.805 -10.170 9.797 1.00 0.00 N ATOM 0 H LYS A 100 8.371 -9.000 6.593 1.00 0.00 H new ATOM 0 HA LYS A 100 6.805 -7.002 8.103 1.00 0.00 H new ATOM 0 HB2 LYS A 100 9.248 -6.567 9.020 1.00 0.00 H new ATOM 0 HB3 LYS A 100 8.334 -7.937 9.618 1.00 0.00 H new ATOM 0 HG2 LYS A 100 9.447 -9.448 8.003 1.00 0.00 H new ATOM 0 HG3 LYS A 100 10.267 -8.095 7.249 1.00 0.00 H new ATOM 0 HD2 LYS A 100 11.421 -7.595 9.436 1.00 0.00 H new ATOM 0 HD3 LYS A 100 10.627 -8.980 10.159 1.00 0.00 H new ATOM 0 HE2 LYS A 100 11.669 -10.242 8.001 1.00 0.00 H new ATOM 0 HE3 LYS A 100 12.816 -8.919 8.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 13.549 -10.793 9.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 13.233 -9.452 10.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 12.122 -10.734 10.342 1.00 0.00 H new ATOM 1601 N ILE A 101 7.762 -4.957 7.024 1.00 0.00 N ATOM 1602 CA ILE A 101 8.136 -3.793 6.231 1.00 0.00 C ATOM 1603 C ILE A 101 8.897 -2.787 7.095 1.00 0.00 C ATOM 1604 O ILE A 101 8.668 -2.670 8.310 1.00 0.00 O ATOM 1605 CB ILE A 101 6.892 -3.140 5.618 1.00 0.00 C ATOM 1606 CG1 ILE A 101 7.307 -1.932 4.776 1.00 0.00 C ATOM 1607 CG2 ILE A 101 5.964 -2.684 6.731 1.00 0.00 C ATOM 1608 CD1 ILE A 101 6.087 -1.380 4.033 1.00 0.00 C ATOM 0 H ILE A 101 7.143 -4.754 7.809 1.00 0.00 H new ATOM 0 HA ILE A 101 8.788 -4.119 5.420 1.00 0.00 H new ATOM 0 HB ILE A 101 6.378 -3.863 4.984 1.00 0.00 H new ATOM 0 HG12 ILE A 101 7.736 -1.160 5.415 1.00 0.00 H new ATOM 0 HG13 ILE A 101 8.079 -2.221 4.063 1.00 0.00 H new ATOM 0 HG21 ILE A 101 5.078 -2.219 6.298 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.666 -3.544 7.331 1.00 0.00 H new ATOM 0 HG23 ILE A 101 6.481 -1.962 7.363 1.00 0.00 H new ATOM 0 HD11 ILE A 101 6.385 -0.520 3.434 1.00 0.00 H new ATOM 0 HD12 ILE A 101 5.678 -2.152 3.381 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.329 -1.075 4.754 1.00 0.00 H new ATOM 1620 N PHE A 102 9.840 -2.097 6.463 1.00 0.00 N ATOM 1621 CA PHE A 102 10.666 -1.118 7.161 1.00 0.00 C ATOM 1622 C PHE A 102 10.165 0.295 6.895 1.00 0.00 C ATOM 1623 O PHE A 102 10.047 0.712 5.742 1.00 0.00 O ATOM 1624 CB PHE A 102 12.126 -1.237 6.717 1.00 0.00 C ATOM 1625 CG PHE A 102 12.413 -2.644 6.232 1.00 0.00 C ATOM 1626 CD1 PHE A 102 13.244 -2.841 5.123 1.00 0.00 C ATOM 1627 CD2 PHE A 102 11.853 -3.749 6.888 1.00 0.00 C ATOM 1628 CE1 PHE A 102 13.515 -4.139 4.673 1.00 0.00 C ATOM 1629 CE2 PHE A 102 12.122 -5.044 6.436 1.00 0.00 C ATOM 1630 CZ PHE A 102 12.951 -5.240 5.328 1.00 0.00 C ATOM 0 H PHE A 102 10.051 -2.197 5.470 1.00 0.00 H new ATOM 0 HA PHE A 102 10.600 -1.321 8.230 1.00 0.00 H new ATOM 0 HB2 PHE A 102 12.331 -0.521 5.921 1.00 0.00 H new ATOM 0 HB3 PHE A 102 12.787 -0.989 7.547 1.00 0.00 H new ATOM 0 HD1 PHE A 102 13.676 -1.992 4.614 1.00 0.00 H new ATOM 0 HD2 PHE A 102 11.212 -3.599 7.744 1.00 0.00 H new ATOM 0 HE1 PHE A 102 14.160 -4.291 3.820 1.00 0.00 H new ATOM 0 HE2 PHE A 102 11.689 -5.894 6.943 1.00 0.00 H new ATOM 0 HZ PHE A 102 13.156 -6.241 4.977 1.00 0.00 H new ATOM 1640 N LEU A 103 9.883 1.029 7.965 1.00 0.00 N ATOM 1641 CA LEU A 103 9.400 2.402 7.836 1.00 0.00 C ATOM 1642 C LEU A 103 10.423 3.386 8.380 1.00 0.00 C ATOM 1643 O LEU A 103 10.942 3.217 9.476 1.00 0.00 O ATOM 1644 CB LEU A 103 8.082 2.562 8.596 1.00 0.00 C ATOM 1645 CG LEU A 103 6.896 2.293 7.664 1.00 0.00 C ATOM 1646 CD1 LEU A 103 6.740 3.434 6.656 1.00 0.00 C ATOM 1647 CD2 LEU A 103 7.107 0.966 6.922 1.00 0.00 C ATOM 0 H LEU A 103 9.979 0.701 8.926 1.00 0.00 H new ATOM 0 HA LEU A 103 9.241 2.613 6.778 1.00 0.00 H new ATOM 0 HB2 LEU A 103 8.054 1.872 9.439 1.00 0.00 H new ATOM 0 HB3 LEU A 103 8.010 3.570 9.006 1.00 0.00 H new ATOM 0 HG LEU A 103 5.988 2.230 8.263 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.893 3.228 6.001 1.00 0.00 H new ATOM 0 HD12 LEU A 103 6.567 4.369 7.189 1.00 0.00 H new ATOM 0 HD13 LEU A 103 7.648 3.519 6.059 1.00 0.00 H new ATOM 0 HD21 LEU A 103 6.261 0.780 6.261 1.00 0.00 H new ATOM 0 HD22 LEU A 103 8.022 1.020 6.333 1.00 0.00 H new ATOM 0 HD23 LEU A 103 7.188 0.154 7.645 1.00 0.00 H new ATOM 1659 N LYS A 104 10.708 4.417 7.601 1.00 0.00 N ATOM 1660 CA LYS A 104 11.673 5.421 8.012 1.00 0.00 C ATOM 1661 C LYS A 104 11.183 6.813 7.648 1.00 0.00 C ATOM 1662 O LYS A 104 10.778 7.067 6.513 1.00 0.00 O ATOM 1663 CB LYS A 104 13.016 5.149 7.334 1.00 0.00 C ATOM 1664 CG LYS A 104 14.101 6.073 7.912 1.00 0.00 C ATOM 1665 CD LYS A 104 15.297 6.132 6.952 1.00 0.00 C ATOM 1666 CE LYS A 104 16.594 5.851 7.709 1.00 0.00 C ATOM 1667 NZ LYS A 104 16.470 4.561 8.442 1.00 0.00 N ATOM 0 H LYS A 104 10.287 4.579 6.686 1.00 0.00 H new ATOM 0 HA LYS A 104 11.795 5.369 9.094 1.00 0.00 H new ATOM 0 HB2 LYS A 104 13.300 4.107 7.480 1.00 0.00 H new ATOM 0 HB3 LYS A 104 12.928 5.308 6.259 1.00 0.00 H new ATOM 0 HG2 LYS A 104 13.696 7.073 8.065 1.00 0.00 H new ATOM 0 HG3 LYS A 104 14.423 5.706 8.887 1.00 0.00 H new ATOM 0 HD2 LYS A 104 15.168 5.402 6.153 1.00 0.00 H new ATOM 0 HD3 LYS A 104 15.347 7.114 6.481 1.00 0.00 H new ATOM 0 HE2 LYS A 104 17.432 5.807 7.013 1.00 0.00 H new ATOM 0 HE3 LYS A 104 16.802 6.661 8.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 16.609 4.725 9.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 15.524 4.160 8.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 17.191 3.895 8.098 1.00 0.00 H new ATOM 1681 N GLU A 105 11.237 7.711 8.622 1.00 0.00 N ATOM 1682 CA GLU A 105 10.812 9.090 8.413 1.00 0.00 C ATOM 1683 C GLU A 105 11.984 10.045 8.614 1.00 0.00 C ATOM 1684 O GLU A 105 12.642 10.025 9.654 1.00 0.00 O ATOM 1685 CB GLU A 105 9.689 9.444 9.393 1.00 0.00 C ATOM 1686 CG GLU A 105 8.681 10.375 8.712 1.00 0.00 C ATOM 1687 CD GLU A 105 7.656 9.551 7.943 1.00 0.00 C ATOM 1688 OE1 GLU A 105 6.589 10.075 7.666 1.00 0.00 O ATOM 1689 OE2 GLU A 105 7.951 8.406 7.642 1.00 0.00 O ATOM 0 H GLU A 105 11.571 7.510 9.565 1.00 0.00 H new ATOM 0 HA GLU A 105 10.447 9.189 7.391 1.00 0.00 H new ATOM 0 HB2 GLU A 105 9.189 8.536 9.731 1.00 0.00 H new ATOM 0 HB3 GLU A 105 10.104 9.927 10.277 1.00 0.00 H new ATOM 0 HG2 GLU A 105 8.180 10.992 9.458 1.00 0.00 H new ATOM 0 HG3 GLU A 105 9.199 11.053 8.034 1.00 0.00 H new ATOM 1696 N VAL A 106 12.238 10.878 7.611 1.00 0.00 N ATOM 1697 CA VAL A 106 13.334 11.841 7.678 1.00 0.00 C ATOM 1698 C VAL A 106 12.943 13.147 6.997 1.00 0.00 C ATOM 1699 O VAL A 106 12.241 13.144 5.989 1.00 0.00 O ATOM 1700 CB VAL A 106 14.572 11.268 6.993 1.00 0.00 C ATOM 1701 CG1 VAL A 106 15.589 12.386 6.753 1.00 0.00 C ATOM 1702 CG2 VAL A 106 15.189 10.196 7.888 1.00 0.00 C ATOM 0 H VAL A 106 11.702 10.907 6.744 1.00 0.00 H new ATOM 0 HA VAL A 106 13.552 12.039 8.727 1.00 0.00 H new ATOM 0 HB VAL A 106 14.291 10.828 6.036 1.00 0.00 H new ATOM 0 HG11 VAL A 106 16.472 11.975 6.264 1.00 0.00 H new ATOM 0 HG12 VAL A 106 15.145 13.152 6.117 1.00 0.00 H new ATOM 0 HG13 VAL A 106 15.875 12.828 7.707 1.00 0.00 H new ATOM 0 HG21 VAL A 106 16.074 9.783 7.404 1.00 0.00 H new ATOM 0 HG22 VAL A 106 15.471 10.638 8.844 1.00 0.00 H new ATOM 0 HG23 VAL A 106 14.463 9.401 8.056 1.00 0.00 H new ATOM 1712 N ASN A 107 13.408 14.262 7.550 1.00 0.00 N ATOM 1713 CA ASN A 107 13.101 15.571 6.980 1.00 0.00 C ATOM 1714 C ASN A 107 11.623 15.664 6.608 1.00 0.00 C ATOM 1715 O ASN A 107 11.277 16.094 5.507 1.00 0.00 O ATOM 1716 CB ASN A 107 13.958 15.815 5.736 1.00 0.00 C ATOM 1717 CG ASN A 107 15.437 15.775 6.108 1.00 0.00 C ATOM 1718 OD1 ASN A 107 15.783 15.739 7.365 1.00 0.00 O flip ATOM 1719 ND2 ASN A 107 16.298 15.776 5.228 1.00 0.00 N flip ATOM 0 H ASN A 107 13.994 14.288 8.385 1.00 0.00 H new ATOM 0 HA ASN A 107 13.323 16.331 7.729 1.00 0.00 H new ATOM 0 HB2 ASN A 107 13.743 15.058 4.982 1.00 0.00 H new ATOM 0 HB3 ASN A 107 13.711 16.782 5.297 1.00 0.00 H new ATOM 0 HD21 ASN A 107 16.024 15.804 4.246 1.00 0.00 H new ATOM 0 HD22 ASN A 107 17.286 15.749 5.481 1.00 0.00 H new ATOM 1726 N ASP A 108 10.757 15.263 7.532 1.00 0.00 N ATOM 1727 CA ASP A 108 9.319 15.308 7.290 1.00 0.00 C ATOM 1728 C ASP A 108 8.964 14.566 6.002 1.00 0.00 C ATOM 1729 O ASP A 108 7.926 14.827 5.392 1.00 0.00 O ATOM 1730 CB ASP A 108 8.855 16.763 7.182 1.00 0.00 C ATOM 1731 CG ASP A 108 7.572 16.963 7.981 1.00 0.00 C ATOM 1732 OD1 ASP A 108 7.640 16.906 9.198 1.00 0.00 O ATOM 1733 OD2 ASP A 108 6.540 17.167 7.363 1.00 0.00 O ATOM 0 H ASP A 108 11.023 14.905 8.450 1.00 0.00 H new ATOM 0 HA ASP A 108 8.815 14.823 8.126 1.00 0.00 H new ATOM 0 HB2 ASP A 108 9.633 17.430 7.555 1.00 0.00 H new ATOM 0 HB3 ASP A 108 8.686 17.023 6.137 1.00 0.00 H new ATOM 1738 N THR A 109 9.835 13.645 5.599 1.00 0.00 N ATOM 1739 CA THR A 109 9.614 12.866 4.384 1.00 0.00 C ATOM 1740 C THR A 109 9.397 11.400 4.719 1.00 0.00 C ATOM 1741 O THR A 109 10.162 10.806 5.481 1.00 0.00 O ATOM 1742 CB THR A 109 10.814 12.992 3.444 1.00 0.00 C ATOM 1743 OG1 THR A 109 11.190 14.357 3.343 1.00 0.00 O ATOM 1744 CG2 THR A 109 10.423 12.463 2.065 1.00 0.00 C ATOM 0 H THR A 109 10.698 13.420 6.094 1.00 0.00 H new ATOM 0 HA THR A 109 8.724 13.258 3.892 1.00 0.00 H new ATOM 0 HB THR A 109 11.653 12.415 3.833 1.00 0.00 H new ATOM 0 HG1 THR A 109 11.573 14.655 4.195 1.00 0.00 H new ATOM 0 HG21 THR A 109 11.273 12.549 1.388 1.00 0.00 H new ATOM 0 HG22 THR A 109 10.129 11.417 2.147 1.00 0.00 H new ATOM 0 HG23 THR A 109 9.588 13.045 1.675 1.00 0.00 H new ATOM 1752 N LEU A 110 8.355 10.817 4.144 1.00 0.00 N ATOM 1753 CA LEU A 110 8.058 9.414 4.390 1.00 0.00 C ATOM 1754 C LEU A 110 8.956 8.529 3.538 1.00 0.00 C ATOM 1755 O LEU A 110 8.792 8.459 2.320 1.00 0.00 O ATOM 1756 CB LEU A 110 6.596 9.117 4.063 1.00 0.00 C ATOM 1757 CG LEU A 110 6.089 7.962 4.938 1.00 0.00 C ATOM 1758 CD1 LEU A 110 4.697 7.540 4.468 1.00 0.00 C ATOM 1759 CD2 LEU A 110 7.026 6.751 4.835 1.00 0.00 C ATOM 0 H LEU A 110 7.708 11.287 3.511 1.00 0.00 H new ATOM 0 HA LEU A 110 8.240 9.204 5.444 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.989 10.006 4.232 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.495 8.858 3.009 1.00 0.00 H new ATOM 0 HG LEU A 110 6.056 8.305 5.972 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.336 6.720 5.089 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.013 8.385 4.550 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.747 7.214 3.429 1.00 0.00 H new ATOM 0 HD21 LEU A 110 6.648 5.944 5.463 1.00 0.00 H new ATOM 0 HD22 LEU A 110 7.072 6.414 3.799 1.00 0.00 H new ATOM 0 HD23 LEU A 110 8.024 7.034 5.169 1.00 0.00 H new ATOM 1771 N LEU A 111 9.897 7.847 4.187 1.00 0.00 N ATOM 1772 CA LEU A 111 10.810 6.964 3.477 1.00 0.00 C ATOM 1773 C LEU A 111 10.610 5.521 3.917 1.00 0.00 C ATOM 1774 O LEU A 111 10.969 5.136 5.026 1.00 0.00 O ATOM 1775 CB LEU A 111 12.263 7.394 3.723 1.00 0.00 C ATOM 1776 CG LEU A 111 12.439 8.875 3.356 1.00 0.00 C ATOM 1777 CD1 LEU A 111 13.904 9.256 3.403 1.00 0.00 C ATOM 1778 CD2 LEU A 111 11.978 9.116 1.931 1.00 0.00 C ATOM 0 H LEU A 111 10.044 7.890 5.195 1.00 0.00 H new ATOM 0 HA LEU A 111 10.596 7.034 2.410 1.00 0.00 H new ATOM 0 HB2 LEU A 111 12.526 7.236 4.769 1.00 0.00 H new ATOM 0 HB3 LEU A 111 12.939 6.780 3.128 1.00 0.00 H new ATOM 0 HG LEU A 111 11.857 9.462 4.066 1.00 0.00 H new ATOM 0 HD11 LEU A 111 14.015 10.308 3.141 1.00 0.00 H new ATOM 0 HD12 LEU A 111 14.291 9.090 4.408 1.00 0.00 H new ATOM 0 HD13 LEU A 111 14.462 8.645 2.694 1.00 0.00 H new ATOM 0 HD21 LEU A 111 12.107 10.169 1.680 1.00 0.00 H new ATOM 0 HD22 LEU A 111 12.570 8.505 1.249 1.00 0.00 H new ATOM 0 HD23 LEU A 111 10.926 8.847 1.839 1.00 0.00 H new ATOM 1790 N VAL A 112 10.032 4.729 3.027 1.00 0.00 N ATOM 1791 CA VAL A 112 9.783 3.324 3.315 1.00 0.00 C ATOM 1792 C VAL A 112 10.856 2.469 2.654 1.00 0.00 C ATOM 1793 O VAL A 112 11.200 2.689 1.490 1.00 0.00 O ATOM 1794 CB VAL A 112 8.397 2.914 2.804 1.00 0.00 C ATOM 1795 CG1 VAL A 112 8.047 3.711 1.543 1.00 0.00 C ATOM 1796 CG2 VAL A 112 8.378 1.410 2.494 1.00 0.00 C ATOM 0 H VAL A 112 9.727 5.033 2.102 1.00 0.00 H new ATOM 0 HA VAL A 112 9.815 3.172 4.394 1.00 0.00 H new ATOM 0 HB VAL A 112 7.657 3.128 3.575 1.00 0.00 H new ATOM 0 HG11 VAL A 112 7.061 3.414 1.187 1.00 0.00 H new ATOM 0 HG12 VAL A 112 8.043 4.776 1.775 1.00 0.00 H new ATOM 0 HG13 VAL A 112 8.788 3.511 0.769 1.00 0.00 H new ATOM 0 HG21 VAL A 112 7.390 1.126 2.131 1.00 0.00 H new ATOM 0 HG22 VAL A 112 9.123 1.186 1.730 1.00 0.00 H new ATOM 0 HG23 VAL A 112 8.607 0.849 3.400 1.00 0.00 H new ATOM 1806 N ASN A 113 11.378 1.501 3.403 1.00 0.00 N ATOM 1807 CA ASN A 113 12.416 0.613 2.885 1.00 0.00 C ATOM 1808 C ASN A 113 13.634 1.411 2.438 1.00 0.00 C ATOM 1809 O ASN A 113 14.677 1.391 3.093 1.00 0.00 O ATOM 1810 CB ASN A 113 11.864 -0.201 1.712 1.00 0.00 C ATOM 1811 CG ASN A 113 12.716 -1.447 1.496 1.00 0.00 C ATOM 1812 OD1 ASN A 113 13.844 -1.522 1.982 1.00 0.00 O ATOM 1813 ND2 ASN A 113 12.241 -2.440 0.791 1.00 0.00 N ATOM 0 H ASN A 113 11.101 1.312 4.366 1.00 0.00 H new ATOM 0 HA ASN A 113 12.723 -0.065 3.682 1.00 0.00 H new ATOM 0 HB2 ASN A 113 10.831 -0.487 1.911 1.00 0.00 H new ATOM 0 HB3 ASN A 113 11.858 0.407 0.807 1.00 0.00 H new ATOM 0 HD21 ASN A 113 12.805 -3.277 0.644 1.00 0.00 H new ATOM 0 HD22 ASN A 113 11.306 -2.378 0.388 1.00 0.00 H new ATOM 1820 N GLU A 114 13.495 2.114 1.321 1.00 0.00 N ATOM 1821 CA GLU A 114 14.586 2.920 0.795 1.00 0.00 C ATOM 1822 C GLU A 114 14.104 3.765 -0.384 1.00 0.00 C ATOM 1823 O GLU A 114 14.732 3.788 -1.442 1.00 0.00 O ATOM 1824 CB GLU A 114 15.738 2.013 0.352 1.00 0.00 C ATOM 1825 CG GLU A 114 17.066 2.736 0.574 1.00 0.00 C ATOM 1826 CD GLU A 114 18.202 1.948 -0.066 1.00 0.00 C ATOM 1827 OE1 GLU A 114 19.238 2.539 -0.321 1.00 0.00 O ATOM 1828 OE2 GLU A 114 18.020 0.763 -0.293 1.00 0.00 O ATOM 0 H GLU A 114 12.641 2.142 0.765 1.00 0.00 H new ATOM 0 HA GLU A 114 14.938 3.588 1.581 1.00 0.00 H new ATOM 0 HB2 GLU A 114 15.720 1.081 0.917 1.00 0.00 H new ATOM 0 HB3 GLU A 114 15.625 1.751 -0.700 1.00 0.00 H new ATOM 0 HG2 GLU A 114 17.020 3.737 0.145 1.00 0.00 H new ATOM 0 HG3 GLU A 114 17.251 2.854 1.642 1.00 0.00 H new ATOM 1835 N LEU A 115 12.983 4.463 -0.198 1.00 0.00 N ATOM 1836 CA LEU A 115 12.438 5.297 -1.264 1.00 0.00 C ATOM 1837 C LEU A 115 11.396 6.258 -0.709 1.00 0.00 C ATOM 1838 O LEU A 115 10.760 5.980 0.308 1.00 0.00 O ATOM 1839 CB LEU A 115 11.807 4.408 -2.335 1.00 0.00 C ATOM 1840 CG LEU A 115 10.504 3.802 -1.783 1.00 0.00 C ATOM 1841 CD1 LEU A 115 9.308 4.755 -1.977 1.00 0.00 C ATOM 1842 CD2 LEU A 115 10.221 2.482 -2.498 1.00 0.00 C ATOM 0 H LEU A 115 12.443 4.467 0.668 1.00 0.00 H new ATOM 0 HA LEU A 115 13.247 5.880 -1.705 1.00 0.00 H new ATOM 0 HB2 LEU A 115 11.600 4.990 -3.233 1.00 0.00 H new ATOM 0 HB3 LEU A 115 12.499 3.616 -2.621 1.00 0.00 H new ATOM 0 HG LEU A 115 10.633 3.636 -0.713 1.00 0.00 H new ATOM 0 HD11 LEU A 115 8.406 4.293 -1.575 1.00 0.00 H new ATOM 0 HD12 LEU A 115 9.500 5.691 -1.453 1.00 0.00 H new ATOM 0 HD13 LEU A 115 9.171 4.955 -3.040 1.00 0.00 H new ATOM 0 HD21 LEU A 115 9.299 2.049 -2.110 1.00 0.00 H new ATOM 0 HD22 LEU A 115 10.115 2.663 -3.568 1.00 0.00 H new ATOM 0 HD23 LEU A 115 11.047 1.791 -2.327 1.00 0.00 H new ATOM 1854 N LYS A 116 11.232 7.393 -1.376 1.00 0.00 N ATOM 1855 CA LYS A 116 10.279 8.391 -0.931 1.00 0.00 C ATOM 1856 C LYS A 116 8.899 8.145 -1.524 1.00 0.00 C ATOM 1857 O LYS A 116 8.765 7.756 -2.683 1.00 0.00 O ATOM 1858 CB LYS A 116 10.765 9.781 -1.323 1.00 0.00 C ATOM 1859 CG LYS A 116 12.289 9.773 -1.469 1.00 0.00 C ATOM 1860 CD LYS A 116 12.834 11.189 -1.280 1.00 0.00 C ATOM 1861 CE LYS A 116 12.111 12.146 -2.226 1.00 0.00 C ATOM 1862 NZ LYS A 116 12.063 11.551 -3.593 1.00 0.00 N ATOM 0 H LYS A 116 11.745 7.641 -2.222 1.00 0.00 H new ATOM 0 HA LYS A 116 10.200 8.320 0.154 1.00 0.00 H new ATOM 0 HB2 LYS A 116 10.302 10.088 -2.261 1.00 0.00 H new ATOM 0 HB3 LYS A 116 10.466 10.508 -0.567 1.00 0.00 H new ATOM 0 HG2 LYS A 116 12.731 9.102 -0.732 1.00 0.00 H new ATOM 0 HG3 LYS A 116 12.567 9.394 -2.452 1.00 0.00 H new ATOM 0 HD2 LYS A 116 12.695 11.508 -0.247 1.00 0.00 H new ATOM 0 HD3 LYS A 116 13.906 11.207 -1.478 1.00 0.00 H new ATOM 0 HE2 LYS A 116 11.100 12.337 -1.865 1.00 0.00 H new ATOM 0 HE3 LYS A 116 12.626 13.106 -2.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 12.114 12.309 -4.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 12.868 10.904 -3.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 11.174 11.024 -3.711 1.00 0.00 H new ATOM 1876 N SER A 117 7.873 8.384 -0.719 1.00 0.00 N ATOM 1877 CA SER A 117 6.501 8.185 -1.175 1.00 0.00 C ATOM 1878 C SER A 117 6.031 9.371 -2.010 1.00 0.00 C ATOM 1879 O SER A 117 6.626 10.447 -1.969 1.00 0.00 O ATOM 1880 CB SER A 117 5.565 7.997 0.023 1.00 0.00 C ATOM 1881 OG SER A 117 6.183 7.141 0.973 1.00 0.00 O ATOM 0 H SER A 117 7.960 8.712 0.243 1.00 0.00 H new ATOM 0 HA SER A 117 6.477 7.288 -1.794 1.00 0.00 H new ATOM 0 HB2 SER A 117 5.340 8.962 0.478 1.00 0.00 H new ATOM 0 HB3 SER A 117 4.617 7.571 -0.305 1.00 0.00 H new ATOM 0 HG SER A 117 5.676 6.305 1.038 1.00 0.00 H new ATOM 1887 N LYS A 118 4.958 9.164 -2.768 1.00 0.00 N ATOM 1888 CA LYS A 118 4.417 10.224 -3.610 1.00 0.00 C ATOM 1889 C LYS A 118 3.364 11.018 -2.853 1.00 0.00 C ATOM 1890 O LYS A 118 3.391 12.248 -2.842 1.00 0.00 O ATOM 1891 CB LYS A 118 3.796 9.626 -4.873 1.00 0.00 C ATOM 1892 CG LYS A 118 4.899 9.075 -5.782 1.00 0.00 C ATOM 1893 CD LYS A 118 5.538 10.209 -6.599 1.00 0.00 C ATOM 1894 CE LYS A 118 7.065 10.091 -6.553 1.00 0.00 C ATOM 1895 NZ LYS A 118 7.667 11.269 -7.237 1.00 0.00 N ATOM 0 H LYS A 118 4.451 8.280 -2.816 1.00 0.00 H new ATOM 0 HA LYS A 118 5.232 10.892 -3.889 1.00 0.00 H new ATOM 0 HB2 LYS A 118 3.101 8.830 -4.606 1.00 0.00 H new ATOM 0 HB3 LYS A 118 3.222 10.386 -5.402 1.00 0.00 H new ATOM 0 HG2 LYS A 118 5.660 8.578 -5.180 1.00 0.00 H new ATOM 0 HG3 LYS A 118 4.484 8.324 -6.454 1.00 0.00 H new ATOM 0 HD2 LYS A 118 5.192 10.164 -7.632 1.00 0.00 H new ATOM 0 HD3 LYS A 118 5.227 11.175 -6.201 1.00 0.00 H new ATOM 0 HE2 LYS A 118 7.407 10.041 -5.519 1.00 0.00 H new ATOM 0 HE3 LYS A 118 7.386 9.170 -7.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 8.704 11.194 -7.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 7.349 11.296 -8.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 7.369 12.141 -6.754 1.00 0.00 H new ATOM 1909 N GLU A 119 2.438 10.310 -2.215 1.00 0.00 N ATOM 1910 CA GLU A 119 1.389 10.976 -1.454 1.00 0.00 C ATOM 1911 C GLU A 119 0.853 10.043 -0.379 1.00 0.00 C ATOM 1912 O GLU A 119 0.100 9.113 -0.663 1.00 0.00 O ATOM 1913 CB GLU A 119 0.249 11.406 -2.388 1.00 0.00 C ATOM 1914 CG GLU A 119 -0.637 12.447 -1.693 1.00 0.00 C ATOM 1915 CD GLU A 119 -1.607 13.061 -2.698 1.00 0.00 C ATOM 1916 OE1 GLU A 119 -1.367 12.923 -3.886 1.00 0.00 O ATOM 1917 OE2 GLU A 119 -2.577 13.663 -2.265 1.00 0.00 O ATOM 0 H GLU A 119 2.392 9.291 -2.209 1.00 0.00 H new ATOM 0 HA GLU A 119 1.810 11.862 -0.979 1.00 0.00 H new ATOM 0 HB2 GLU A 119 0.660 11.822 -3.308 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -0.348 10.538 -2.669 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -1.191 11.980 -0.879 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -0.017 13.227 -1.250 1.00 0.00 H new ATOM 1924 N SER A 120 1.250 10.294 0.859 1.00 0.00 N ATOM 1925 CA SER A 120 0.809 9.465 1.969 1.00 0.00 C ATOM 1926 C SER A 120 0.467 10.330 3.175 1.00 0.00 C ATOM 1927 O SER A 120 0.622 11.550 3.134 1.00 0.00 O ATOM 1928 CB SER A 120 1.922 8.486 2.346 1.00 0.00 C ATOM 1929 OG SER A 120 3.042 9.215 2.827 1.00 0.00 O ATOM 0 H SER A 120 1.872 11.059 1.119 1.00 0.00 H new ATOM 0 HA SER A 120 -0.082 8.915 1.665 1.00 0.00 H new ATOM 0 HB2 SER A 120 1.569 7.792 3.109 1.00 0.00 H new ATOM 0 HB3 SER A 120 2.206 7.889 1.480 1.00 0.00 H new ATOM 0 HG SER A 120 3.850 8.923 2.355 1.00 0.00 H new ATOM 1935 N ASP A 121 0.009 9.686 4.248 1.00 0.00 N ATOM 1936 CA ASP A 121 -0.344 10.403 5.480 1.00 0.00 C ATOM 1937 C ASP A 121 -1.763 10.947 5.403 1.00 0.00 C ATOM 1938 O ASP A 121 -2.217 11.669 6.294 1.00 0.00 O ATOM 1939 CB ASP A 121 0.630 11.561 5.720 1.00 0.00 C ATOM 1940 CG ASP A 121 0.814 11.794 7.215 1.00 0.00 C ATOM 1941 OD1 ASP A 121 1.910 11.562 7.700 1.00 0.00 O ATOM 1942 OD2 ASP A 121 -0.141 12.204 7.854 1.00 0.00 O ATOM 0 H ASP A 121 -0.127 8.676 4.293 1.00 0.00 H new ATOM 0 HA ASP A 121 -0.280 9.697 6.308 1.00 0.00 H new ATOM 0 HB2 ASP A 121 1.592 11.338 5.258 1.00 0.00 H new ATOM 0 HB3 ASP A 121 0.252 12.467 5.247 1.00 0.00 H new ATOM 1947 N ILE A 122 -2.457 10.589 4.336 1.00 0.00 N ATOM 1948 CA ILE A 122 -3.826 11.031 4.133 1.00 0.00 C ATOM 1949 C ILE A 122 -4.758 10.251 5.054 1.00 0.00 C ATOM 1950 O ILE A 122 -4.866 9.028 4.958 1.00 0.00 O ATOM 1951 CB ILE A 122 -4.248 10.814 2.673 1.00 0.00 C ATOM 1952 CG1 ILE A 122 -3.029 10.559 1.762 1.00 0.00 C ATOM 1953 CG2 ILE A 122 -5.010 12.025 2.153 1.00 0.00 C ATOM 1954 CD1 ILE A 122 -2.129 11.803 1.707 1.00 0.00 C ATOM 0 H ILE A 122 -2.093 9.991 3.594 1.00 0.00 H new ATOM 0 HA ILE A 122 -3.888 12.095 4.363 1.00 0.00 H new ATOM 0 HB ILE A 122 -4.891 9.934 2.651 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -2.460 9.708 2.136 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -3.366 10.302 0.758 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -5.301 11.854 1.117 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -5.902 12.182 2.760 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -4.373 12.908 2.210 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -1.274 11.605 1.060 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -2.696 12.645 1.311 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -1.777 12.042 2.711 1.00 0.00 H new ATOM 1966 N MET A 123 -5.414 10.971 5.948 1.00 0.00 N ATOM 1967 CA MET A 123 -6.325 10.357 6.899 1.00 0.00 C ATOM 1968 C MET A 123 -7.681 10.096 6.262 1.00 0.00 C ATOM 1969 O MET A 123 -8.310 11.006 5.718 1.00 0.00 O ATOM 1970 CB MET A 123 -6.498 11.275 8.110 1.00 0.00 C ATOM 1971 CG MET A 123 -7.332 10.565 9.173 1.00 0.00 C ATOM 1972 SD MET A 123 -6.367 10.409 10.697 1.00 0.00 S ATOM 1973 CE MET A 123 -5.451 8.919 10.233 1.00 0.00 C ATOM 0 H MET A 123 -5.332 11.984 6.035 1.00 0.00 H new ATOM 0 HA MET A 123 -5.902 9.403 7.214 1.00 0.00 H new ATOM 0 HB2 MET A 123 -5.524 11.545 8.517 1.00 0.00 H new ATOM 0 HB3 MET A 123 -6.986 12.202 7.810 1.00 0.00 H new ATOM 0 HG2 MET A 123 -8.247 11.125 9.366 1.00 0.00 H new ATOM 0 HG3 MET A 123 -7.631 9.579 8.817 1.00 0.00 H new ATOM 0 HE1 MET A 123 -4.780 8.637 11.045 1.00 0.00 H new ATOM 0 HE2 MET A 123 -6.151 8.106 10.042 1.00 0.00 H new ATOM 0 HE3 MET A 123 -4.869 9.115 9.333 1.00 0.00 H new ATOM 1983 N THR A 124 -8.122 8.847 6.338 1.00 0.00 N ATOM 1984 CA THR A 124 -9.409 8.458 5.769 1.00 0.00 C ATOM 1985 C THR A 124 -10.363 7.993 6.864 1.00 0.00 C ATOM 1986 O THR A 124 -10.024 8.013 8.048 1.00 0.00 O ATOM 1987 CB THR A 124 -9.213 7.330 4.754 1.00 0.00 C ATOM 1988 OG1 THR A 124 -9.053 6.098 5.441 1.00 0.00 O ATOM 1989 CG2 THR A 124 -7.969 7.610 3.916 1.00 0.00 C ATOM 0 H THR A 124 -7.610 8.087 6.786 1.00 0.00 H new ATOM 0 HA THR A 124 -9.839 9.327 5.271 1.00 0.00 H new ATOM 0 HB THR A 124 -10.085 7.272 4.102 1.00 0.00 H new ATOM 0 HG1 THR A 124 -8.929 5.375 4.791 1.00 0.00 H new ATOM 0 HG21 THR A 124 -7.829 6.807 3.193 1.00 0.00 H new ATOM 0 HG22 THR A 124 -8.091 8.556 3.388 1.00 0.00 H new ATOM 0 HG23 THR A 124 -7.097 7.668 4.567 1.00 0.00 H new ATOM 1997 N THR A 125 -11.560 7.577 6.460 1.00 0.00 N ATOM 1998 CA THR A 125 -12.559 7.109 7.414 1.00 0.00 C ATOM 1999 C THR A 125 -12.346 5.630 7.730 1.00 0.00 C ATOM 2000 O THR A 125 -13.037 5.065 8.578 1.00 0.00 O ATOM 2001 CB THR A 125 -13.962 7.315 6.845 1.00 0.00 C ATOM 2002 OG1 THR A 125 -14.143 6.469 5.717 1.00 0.00 O ATOM 2003 CG2 THR A 125 -14.135 8.775 6.423 1.00 0.00 C ATOM 0 H THR A 125 -11.860 7.555 5.485 1.00 0.00 H new ATOM 0 HA THR A 125 -12.454 7.684 8.334 1.00 0.00 H new ATOM 0 HB THR A 125 -14.702 7.070 7.606 1.00 0.00 H new ATOM 0 HG1 THR A 125 -15.043 6.599 5.352 1.00 0.00 H new ATOM 0 HG21 THR A 125 -15.136 8.920 6.017 1.00 0.00 H new ATOM 0 HG22 THR A 125 -13.997 9.423 7.289 1.00 0.00 H new ATOM 0 HG23 THR A 125 -13.396 9.024 5.662 1.00 0.00 H new ATOM 2011 N ASN A 126 -11.388 5.016 7.041 1.00 0.00 N ATOM 2012 CA ASN A 126 -11.084 3.602 7.248 1.00 0.00 C ATOM 2013 C ASN A 126 -9.597 3.405 7.529 1.00 0.00 C ATOM 2014 O ASN A 126 -9.061 2.300 7.399 1.00 0.00 O ATOM 2015 CB ASN A 126 -11.493 2.792 6.021 1.00 0.00 C ATOM 2016 CG ASN A 126 -11.834 1.366 6.427 1.00 0.00 C ATOM 2017 OD1 ASN A 126 -12.801 1.156 7.274 1.00 0.00 O flip ATOM 2018 ND2 ASN A 126 -11.205 0.418 5.957 1.00 0.00 N flip ATOM 0 H ASN A 126 -10.810 5.473 6.336 1.00 0.00 H new ATOM 0 HA ASN A 126 -11.649 3.253 8.112 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -12.353 3.257 5.539 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -10.683 2.787 5.292 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -10.448 0.586 5.294 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -11.440 -0.536 6.231 1.00 0.00 H new ATOM 2025 N GLY A 127 -8.934 4.482 7.924 1.00 0.00 N ATOM 2026 CA GLY A 127 -7.516 4.413 8.242 1.00 0.00 C ATOM 2027 C GLY A 127 -6.728 5.503 7.528 1.00 0.00 C ATOM 2028 O GLY A 127 -7.181 6.644 7.426 1.00 0.00 O ATOM 0 H GLY A 127 -9.351 5.407 8.031 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -7.379 4.510 9.319 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -7.126 3.436 7.958 1.00 0.00 H new ATOM 2032 N VAL A 128 -5.545 5.138 7.039 1.00 0.00 N ATOM 2033 CA VAL A 128 -4.686 6.089 6.339 1.00 0.00 C ATOM 2034 C VAL A 128 -4.370 5.589 4.939 1.00 0.00 C ATOM 2035 O VAL A 128 -4.619 4.428 4.613 1.00 0.00 O ATOM 2036 CB VAL A 128 -3.381 6.292 7.121 1.00 0.00 C ATOM 2037 CG1 VAL A 128 -2.324 5.285 6.655 1.00 0.00 C ATOM 2038 CG2 VAL A 128 -2.855 7.718 6.904 1.00 0.00 C ATOM 0 H VAL A 128 -5.161 4.196 7.114 1.00 0.00 H new ATOM 0 HA VAL A 128 -5.213 7.040 6.263 1.00 0.00 H new ATOM 0 HB VAL A 128 -3.583 6.137 8.181 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -1.403 5.439 7.217 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -2.688 4.271 6.824 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -2.129 5.428 5.592 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -1.929 7.853 7.463 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -2.665 7.878 5.843 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -3.597 8.436 7.253 1.00 0.00 H new ATOM 2048 N ILE A 129 -3.817 6.478 4.122 1.00 0.00 N ATOM 2049 CA ILE A 129 -3.461 6.129 2.752 1.00 0.00 C ATOM 2050 C ILE A 129 -1.969 6.319 2.512 1.00 0.00 C ATOM 2051 O ILE A 129 -1.351 7.252 3.047 1.00 0.00 O ATOM 2052 CB ILE A 129 -4.256 7.004 1.766 1.00 0.00 C ATOM 2053 CG1 ILE A 129 -5.592 6.321 1.450 1.00 0.00 C ATOM 2054 CG2 ILE A 129 -3.455 7.198 0.466 1.00 0.00 C ATOM 2055 CD1 ILE A 129 -6.477 7.254 0.616 1.00 0.00 C ATOM 0 H ILE A 129 -3.606 7.441 4.383 1.00 0.00 H new ATOM 0 HA ILE A 129 -3.708 5.079 2.593 1.00 0.00 H new ATOM 0 HB ILE A 129 -4.438 7.980 2.217 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -5.415 5.393 0.906 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -6.102 6.056 2.376 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -4.027 7.818 -0.224 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -2.507 7.686 0.692 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -3.264 6.227 0.008 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -7.423 6.759 0.397 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -6.668 8.170 1.175 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -5.970 7.497 -0.318 1.00 0.00 H new ATOM 2067 N HIS A 130 -1.397 5.447 1.684 1.00 0.00 N ATOM 2068 CA HIS A 130 0.017 5.550 1.355 1.00 0.00 C ATOM 2069 C HIS A 130 0.233 5.280 -0.130 1.00 0.00 C ATOM 2070 O HIS A 130 0.053 4.158 -0.599 1.00 0.00 O ATOM 2071 CB HIS A 130 0.830 4.563 2.192 1.00 0.00 C ATOM 2072 CG HIS A 130 2.299 4.871 2.099 1.00 0.00 C ATOM 2073 ND1 HIS A 130 3.150 4.680 3.172 1.00 0.00 N ATOM 2074 CD2 HIS A 130 3.093 5.313 1.066 1.00 0.00 C ATOM 2075 CE1 HIS A 130 4.393 4.995 2.769 1.00 0.00 C ATOM 2076 NE2 HIS A 130 4.415 5.387 1.494 1.00 0.00 N ATOM 0 H HIS A 130 -1.886 4.672 1.236 1.00 0.00 H new ATOM 0 HA HIS A 130 0.354 6.561 1.582 1.00 0.00 H new ATOM 0 HB2 HIS A 130 0.509 4.610 3.233 1.00 0.00 H new ATOM 0 HB3 HIS A 130 0.644 3.546 1.847 1.00 0.00 H new ATOM 0 HD1 HIS A 130 2.883 4.358 4.102 1.00 0.00 H new ATOM 0 HD2 HIS A 130 2.744 5.564 0.075 1.00 0.00 H new ATOM 0 HE1 HIS A 130 5.267 4.938 3.400 1.00 0.00 H new ATOM 2085 N VAL A 131 0.636 6.322 -0.858 1.00 0.00 N ATOM 2086 CA VAL A 131 0.894 6.199 -2.292 1.00 0.00 C ATOM 2087 C VAL A 131 2.388 6.256 -2.575 1.00 0.00 C ATOM 2088 O VAL A 131 3.052 7.255 -2.275 1.00 0.00 O ATOM 2089 CB VAL A 131 0.192 7.320 -3.064 1.00 0.00 C ATOM 2090 CG1 VAL A 131 0.408 7.126 -4.568 1.00 0.00 C ATOM 2091 CG2 VAL A 131 -1.304 7.285 -2.762 1.00 0.00 C ATOM 0 H VAL A 131 0.790 7.257 -0.480 1.00 0.00 H new ATOM 0 HA VAL A 131 0.503 5.236 -2.620 1.00 0.00 H new ATOM 0 HB VAL A 131 0.607 8.281 -2.759 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -0.093 7.926 -5.114 1.00 0.00 H new ATOM 0 HG12 VAL A 131 1.475 7.150 -4.788 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -0.004 6.164 -4.874 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -1.805 8.083 -3.311 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -1.714 6.322 -3.066 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -1.463 7.425 -1.693 1.00 0.00 H new ATOM 2101 N VAL A 132 2.902 5.176 -3.160 1.00 0.00 N ATOM 2102 CA VAL A 132 4.324 5.085 -3.495 1.00 0.00 C ATOM 2103 C VAL A 132 4.523 4.912 -5.000 1.00 0.00 C ATOM 2104 O VAL A 132 3.560 4.847 -5.762 1.00 0.00 O ATOM 2105 CB VAL A 132 4.965 3.907 -2.759 1.00 0.00 C ATOM 2106 CG1 VAL A 132 4.775 4.082 -1.253 1.00 0.00 C ATOM 2107 CG2 VAL A 132 4.303 2.602 -3.207 1.00 0.00 C ATOM 0 H VAL A 132 2.357 4.352 -3.412 1.00 0.00 H new ATOM 0 HA VAL A 132 4.802 6.014 -3.184 1.00 0.00 H new ATOM 0 HB VAL A 132 6.030 3.872 -2.990 1.00 0.00 H new ATOM 0 HG11 VAL A 132 5.232 3.243 -0.729 1.00 0.00 H new ATOM 0 HG12 VAL A 132 5.247 5.011 -0.932 1.00 0.00 H new ATOM 0 HG13 VAL A 132 3.710 4.118 -1.022 1.00 0.00 H new ATOM 0 HG21 VAL A 132 4.760 1.763 -2.682 1.00 0.00 H new ATOM 0 HG22 VAL A 132 3.238 2.637 -2.977 1.00 0.00 H new ATOM 0 HG23 VAL A 132 4.439 2.475 -4.281 1.00 0.00 H new ATOM 2117 N ASP A 133 5.785 4.848 -5.421 1.00 0.00 N ATOM 2118 CA ASP A 133 6.106 4.683 -6.836 1.00 0.00 C ATOM 2119 C ASP A 133 7.079 3.526 -7.035 1.00 0.00 C ATOM 2120 O ASP A 133 8.042 3.636 -7.793 1.00 0.00 O ATOM 2121 CB ASP A 133 6.719 5.971 -7.387 1.00 0.00 C ATOM 2122 CG ASP A 133 8.025 6.277 -6.662 1.00 0.00 C ATOM 2123 OD1 ASP A 133 8.998 6.577 -7.336 1.00 0.00 O ATOM 2124 OD2 ASP A 133 8.033 6.208 -5.445 1.00 0.00 O ATOM 0 H ASP A 133 6.597 4.908 -4.806 1.00 0.00 H new ATOM 0 HA ASP A 133 5.184 4.462 -7.374 1.00 0.00 H new ATOM 0 HB2 ASP A 133 6.902 5.868 -8.457 1.00 0.00 H new ATOM 0 HB3 ASP A 133 6.021 6.799 -7.262 1.00 0.00 H new ATOM 2129 N LYS A 134 6.818 2.418 -6.351 1.00 0.00 N ATOM 2130 CA LYS A 134 7.676 1.247 -6.465 1.00 0.00 C ATOM 2131 C LYS A 134 7.010 0.037 -5.818 1.00 0.00 C ATOM 2132 O LYS A 134 6.240 0.178 -4.866 1.00 0.00 O ATOM 2133 CB LYS A 134 9.014 1.524 -5.786 1.00 0.00 C ATOM 2134 CG LYS A 134 9.976 0.360 -6.032 1.00 0.00 C ATOM 2135 CD LYS A 134 10.261 -0.360 -4.715 1.00 0.00 C ATOM 2136 CE LYS A 134 10.979 -1.669 -5.016 1.00 0.00 C ATOM 2137 NZ LYS A 134 12.282 -1.388 -5.687 1.00 0.00 N ATOM 0 H LYS A 134 6.026 2.307 -5.717 1.00 0.00 H new ATOM 0 HA LYS A 134 7.842 1.033 -7.521 1.00 0.00 H new ATOM 0 HB2 LYS A 134 9.443 2.449 -6.172 1.00 0.00 H new ATOM 0 HB3 LYS A 134 8.866 1.664 -4.715 1.00 0.00 H new ATOM 0 HG2 LYS A 134 9.544 -0.335 -6.752 1.00 0.00 H new ATOM 0 HG3 LYS A 134 10.906 0.729 -6.464 1.00 0.00 H new ATOM 0 HD2 LYS A 134 10.874 0.267 -4.068 1.00 0.00 H new ATOM 0 HD3 LYS A 134 9.330 -0.554 -4.182 1.00 0.00 H new ATOM 0 HE2 LYS A 134 11.147 -2.223 -4.092 1.00 0.00 H new ATOM 0 HE3 LYS A 134 10.358 -2.296 -5.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 12.876 -2.241 -5.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 12.111 -1.113 -6.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 12.768 -0.613 -5.191 1.00 0.00 H new ATOM 2151 N LEU A 135 7.304 -1.149 -6.339 1.00 0.00 N ATOM 2152 CA LEU A 135 6.715 -2.373 -5.802 1.00 0.00 C ATOM 2153 C LEU A 135 7.548 -2.920 -4.645 1.00 0.00 C ATOM 2154 O LEU A 135 8.630 -3.467 -4.849 1.00 0.00 O ATOM 2155 CB LEU A 135 6.630 -3.429 -6.906 1.00 0.00 C ATOM 2156 CG LEU A 135 5.823 -4.639 -6.410 1.00 0.00 C ATOM 2157 CD1 LEU A 135 4.372 -4.228 -6.134 1.00 0.00 C ATOM 2158 CD2 LEU A 135 5.836 -5.746 -7.470 1.00 0.00 C ATOM 0 H LEU A 135 7.940 -1.290 -7.124 1.00 0.00 H new ATOM 0 HA LEU A 135 5.717 -2.138 -5.432 1.00 0.00 H new ATOM 0 HB2 LEU A 135 6.158 -3.004 -7.792 1.00 0.00 H new ATOM 0 HB3 LEU A 135 7.632 -3.744 -7.198 1.00 0.00 H new ATOM 0 HG LEU A 135 6.278 -5.006 -5.490 1.00 0.00 H new ATOM 0 HD11 LEU A 135 3.809 -5.093 -5.783 1.00 0.00 H new ATOM 0 HD12 LEU A 135 4.353 -3.449 -5.372 1.00 0.00 H new ATOM 0 HD13 LEU A 135 3.920 -3.849 -7.051 1.00 0.00 H new ATOM 0 HD21 LEU A 135 5.262 -6.600 -7.111 1.00 0.00 H new ATOM 0 HD22 LEU A 135 5.392 -5.372 -8.392 1.00 0.00 H new ATOM 0 HD23 LEU A 135 6.864 -6.054 -7.662 1.00 0.00 H new ATOM 2170 N LEU A 136 7.033 -2.786 -3.433 1.00 0.00 N ATOM 2171 CA LEU A 136 7.743 -3.277 -2.257 1.00 0.00 C ATOM 2172 C LEU A 136 8.179 -4.723 -2.447 1.00 0.00 C ATOM 2173 O LEU A 136 7.342 -5.619 -2.568 1.00 0.00 O ATOM 2174 CB LEU A 136 6.846 -3.170 -1.024 1.00 0.00 C ATOM 2175 CG LEU A 136 6.638 -1.692 -0.679 1.00 0.00 C ATOM 2176 CD1 LEU A 136 5.474 -1.555 0.298 1.00 0.00 C ATOM 2177 CD2 LEU A 136 7.902 -1.101 -0.034 1.00 0.00 C ATOM 0 H LEU A 136 6.134 -2.346 -3.236 1.00 0.00 H new ATOM 0 HA LEU A 136 8.633 -2.663 -2.117 1.00 0.00 H new ATOM 0 HB2 LEU A 136 5.886 -3.650 -1.215 1.00 0.00 H new ATOM 0 HB3 LEU A 136 7.301 -3.692 -0.182 1.00 0.00 H new ATOM 0 HG LEU A 136 6.423 -1.151 -1.600 1.00 0.00 H new ATOM 0 HD11 LEU A 136 5.327 -0.503 0.543 1.00 0.00 H new ATOM 0 HD12 LEU A 136 4.567 -1.952 -0.158 1.00 0.00 H new ATOM 0 HD13 LEU A 136 5.696 -2.112 1.208 1.00 0.00 H new ATOM 0 HD21 LEU A 136 7.732 -0.051 0.203 1.00 0.00 H new ATOM 0 HD22 LEU A 136 8.133 -1.647 0.881 1.00 0.00 H new ATOM 0 HD23 LEU A 136 8.738 -1.186 -0.728 1.00 0.00 H new ATOM 2189 N TYR A 137 9.490 -4.948 -2.474 1.00 0.00 N ATOM 2190 CA TYR A 137 10.015 -6.297 -2.650 1.00 0.00 C ATOM 2191 C TYR A 137 10.534 -6.858 -1.323 1.00 0.00 C ATOM 2192 O TYR A 137 10.917 -6.097 -0.435 1.00 0.00 O ATOM 2193 CB TYR A 137 11.150 -6.279 -3.679 1.00 0.00 C ATOM 2194 CG TYR A 137 10.563 -6.258 -5.071 1.00 0.00 C ATOM 2195 CD1 TYR A 137 10.791 -5.157 -5.904 1.00 0.00 C ATOM 2196 CD2 TYR A 137 9.774 -7.327 -5.526 1.00 0.00 C ATOM 2197 CE1 TYR A 137 10.239 -5.124 -7.188 1.00 0.00 C ATOM 2198 CE2 TYR A 137 9.225 -7.293 -6.812 1.00 0.00 C ATOM 2199 CZ TYR A 137 9.452 -6.189 -7.640 1.00 0.00 C ATOM 2200 OH TYR A 137 8.906 -6.153 -8.904 1.00 0.00 O ATOM 0 H TYR A 137 10.200 -4.222 -2.377 1.00 0.00 H new ATOM 0 HA TYR A 137 9.207 -6.937 -3.004 1.00 0.00 H new ATOM 0 HB2 TYR A 137 11.782 -5.404 -3.525 1.00 0.00 H new ATOM 0 HB3 TYR A 137 11.784 -7.156 -3.553 1.00 0.00 H new ATOM 0 HD1 TYR A 137 11.394 -4.332 -5.555 1.00 0.00 H new ATOM 0 HD2 TYR A 137 9.591 -8.175 -4.883 1.00 0.00 H new ATOM 0 HE1 TYR A 137 10.420 -4.276 -7.832 1.00 0.00 H new ATOM 0 HE2 TYR A 137 8.626 -8.119 -7.166 1.00 0.00 H new ATOM 0 HH TYR A 137 9.138 -5.305 -9.336 1.00 0.00 H new ATOM 2210 N PRO A 138 10.567 -8.165 -1.173 1.00 0.00 N ATOM 2211 CA PRO A 138 11.071 -8.807 0.074 1.00 0.00 C ATOM 2212 C PRO A 138 12.597 -8.836 0.122 1.00 0.00 C ATOM 2213 O PRO A 138 13.265 -8.129 -0.634 1.00 0.00 O ATOM 2214 CB PRO A 138 10.504 -10.222 -0.004 1.00 0.00 C ATOM 2215 CG PRO A 138 10.376 -10.513 -1.461 1.00 0.00 C ATOM 2216 CD PRO A 138 10.122 -9.174 -2.158 1.00 0.00 C ATOM 0 HA PRO A 138 10.768 -8.267 0.971 1.00 0.00 H new ATOM 0 HB2 PRO A 138 11.165 -10.938 0.484 1.00 0.00 H new ATOM 0 HB3 PRO A 138 9.538 -10.287 0.497 1.00 0.00 H new ATOM 0 HG2 PRO A 138 11.283 -10.982 -1.843 1.00 0.00 H new ATOM 0 HG3 PRO A 138 9.556 -11.207 -1.646 1.00 0.00 H new ATOM 0 HD2 PRO A 138 10.683 -9.097 -3.089 1.00 0.00 H new ATOM 0 HD3 PRO A 138 9.069 -9.049 -2.409 1.00 0.00 H new ATOM 2224 N ALA A 139 13.137 -9.658 1.015 1.00 0.00 N ATOM 2225 CA ALA A 139 14.584 -9.781 1.160 1.00 0.00 C ATOM 2226 C ALA A 139 15.047 -11.163 0.711 1.00 0.00 C ATOM 2227 O ALA A 139 15.086 -11.459 -0.484 1.00 0.00 O ATOM 2228 CB ALA A 139 14.980 -9.557 2.619 1.00 0.00 C ATOM 0 H ALA A 139 12.597 -10.248 1.648 1.00 0.00 H new ATOM 0 HA ALA A 139 15.062 -9.028 0.534 1.00 0.00 H new ATOM 0 HB1 ALA A 139 16.061 -9.650 2.721 1.00 0.00 H new ATOM 0 HB2 ALA A 139 14.671 -8.559 2.931 1.00 0.00 H new ATOM 0 HB3 ALA A 139 14.491 -10.302 3.247 1.00 0.00 H new ATOM 2234 N ASP A 140 15.396 -12.004 1.676 1.00 0.00 N ATOM 2235 CA ASP A 140 15.854 -13.354 1.371 1.00 0.00 C ATOM 2236 C ASP A 140 17.067 -13.310 0.447 1.00 0.00 C ATOM 2237 O ASP A 140 17.936 -14.180 0.505 1.00 0.00 O ATOM 2238 CB ASP A 140 14.731 -14.152 0.704 1.00 0.00 C ATOM 2239 CG ASP A 140 14.756 -15.596 1.191 1.00 0.00 C ATOM 2240 OD1 ASP A 140 13.723 -16.067 1.638 1.00 0.00 O ATOM 2241 OD2 ASP A 140 15.807 -16.210 1.111 1.00 0.00 O ATOM 0 H ASP A 140 15.371 -11.778 2.670 1.00 0.00 H new ATOM 0 HA ASP A 140 16.137 -13.840 2.304 1.00 0.00 H new ATOM 0 HB2 ASP A 140 13.766 -13.699 0.933 1.00 0.00 H new ATOM 0 HB3 ASP A 140 14.847 -14.123 -0.379 1.00 0.00 H new TER 2246 ASP A 140