USER MOD reduce.3.24.130724 H: found=0, std=0, add=915, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 919 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 41 TYR OH : rot 166:sc= 0.0938 USER MOD Set 1.2: A 67 TYR OH : rot -130:sc= 0.0371 USER MOD Set 2.1: A 62 GLN : amide:sc= -1.26 K(o=-1.3,f=0.052) USER MOD Set 2.2: A 63 GLN : amide:sc= -0.0309 K(o=-1.3,f=-9.5!) USER MOD Set 3.1: A 46 MET CE :methyl -153:sc= -2.43 (180deg=-3.61!) USER MOD Set 3.2: A 50 LYS NZ :NH3+ 154:sc= 1.15 (180deg=0.453) USER MOD Set 4.1: A 3 GLN : amide:sc= 0.255 K(o=-0.05,f=-1.3) USER MOD Set 4.2: A 7 GLN : amide:sc= -0.504 K(o=-0.05,f=-1.8) USER MOD Set 4.3: A 29 GLN : amide:sc= 0.198 K(o=-0.05,f=-4.4!) USER MOD Set 5.1: A 10 GLN : amide:sc=-0.00456 K(o=0.0061,f=0.85) USER MOD Set 5.2: A 26 CYS SG : rot -130:sc= 0.0107 USER MOD Single : A 2 SER OG : rot 35:sc= 0.118 USER MOD Single : A 6 LYS NZ :NH3+ 177:sc= 0.114 (180deg=0.113) USER MOD Single : A 8 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.107) USER MOD Single : A 12 ASN : amide:sc= -4.05! K(o=-4!,f=-0.81) USER MOD Single : A 13 SER OG : rot -32:sc= 0.862 USER MOD Single : A 16 LYS NZ :NH3+ 136:sc= 0.689 (180deg=0.078) USER MOD Single : A 17 GLN : amide:sc= -0.363 X(o=-0.36,f=-0.023) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=-0.0085) USER MOD Single : A 27 TYR OH : rot -14:sc= -0.482 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -2.41! K(o=-2.4!,f=-0.73) USER MOD Single : A 36 GLN : amide:sc= -1.29 K(o=-1.3,f=0) USER MOD Single : A 37 ASN : amide:sc= 0.00212 K(o=0.0021,f=-4.3!) USER MOD Single : A 42 SER OG : rot -131:sc= 0.535 USER MOD Single : A 43 ASN : amide:sc= 0.199 K(o=0.2,f=-8.1!) USER MOD Single : A 44 LYS NZ :NH3+ 176:sc= 1.25 (180deg=1.24) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.693 USER MOD Single : A 56 GLN : amide:sc= -1.3 K(o=-1.3,f=-0.083) USER MOD Single : A 59 GLN : amide:sc= -0.163 X(o=-0.16,f=-0.18) USER MOD Single : A 60 MET CE :methyl 157:sc= -0.229 (180deg=-1.42) USER MOD Single : A 61 CYS SG : rot 80:sc= 0.522 USER MOD Single : A 68 THR OG1 : rot 26:sc= 0.251 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.175 USER MOD Single : A 73 HIS : no HE2:sc= -2.37! K(o=-2.4!,f=-1.9) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -145:sc= 2.62 (180deg=1.12) USER MOD Single : A 81 GLN : amide:sc= -9.08! C(o=-9.1!,f=-8.7!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0.71 K(o=0.71,f=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0.414 USER MOD Single : A 95 GLN : amide:sc= -1.95 X(o=-1.9,f=-2) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : B 703 THR OG1 : rot 168:sc= 1.47 USER MOD Single : B 705 MET CE :methyl -173:sc= -1.95! (180deg=-2.09!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 22.233 -12.411 -3.824 1.00 0.00 N ATOM 2 CA SER A 2 21.048 -11.535 -3.865 1.00 0.00 C ATOM 3 C SER A 2 21.460 -10.087 -4.097 1.00 0.00 C ATOM 4 O SER A 2 22.330 -9.571 -3.400 1.00 0.00 O ATOM 5 CB SER A 2 20.242 -11.659 -2.573 1.00 0.00 C ATOM 6 OG SER A 2 19.873 -13.007 -2.384 1.00 0.00 O ATOM 0 HA SER A 2 20.418 -11.852 -4.696 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.833 -11.309 -1.727 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.353 -11.030 -2.623 1.00 0.00 H new ATOM 0 HG SER A 2 20.588 -13.591 -2.712 1.00 0.00 H new ATOM 14 N GLN A 3 20.831 -9.429 -5.076 1.00 0.00 N ATOM 15 CA GLN A 3 21.111 -8.041 -5.411 1.00 0.00 C ATOM 16 C GLN A 3 19.883 -7.390 -6.042 1.00 0.00 C ATOM 17 O GLN A 3 18.890 -8.059 -6.321 1.00 0.00 O ATOM 18 CB GLN A 3 22.309 -7.978 -6.363 1.00 0.00 C ATOM 19 CG GLN A 3 21.997 -8.676 -7.694 1.00 0.00 C ATOM 20 CD GLN A 3 23.154 -8.569 -8.680 1.00 0.00 C ATOM 21 OE1 GLN A 3 24.264 -8.182 -8.322 1.00 0.00 O ATOM 22 NE2 GLN A 3 22.901 -8.911 -9.941 1.00 0.00 N ATOM 0 H GLN A 3 20.109 -9.853 -5.659 1.00 0.00 H new ATOM 0 HA GLN A 3 21.354 -7.491 -4.501 1.00 0.00 H new ATOM 0 HB2 GLN A 3 22.575 -6.937 -6.549 1.00 0.00 H new ATOM 0 HB3 GLN A 3 23.173 -8.450 -5.896 1.00 0.00 H new ATOM 0 HG2 GLN A 3 21.775 -9.727 -7.509 1.00 0.00 H new ATOM 0 HG3 GLN A 3 21.103 -8.234 -8.134 1.00 0.00 H new ATOM 0 HE21 GLN A 3 21.969 -9.228 -10.206 1.00 0.00 H new ATOM 0 HE22 GLN A 3 23.640 -8.856 -10.642 1.00 0.00 H new ATOM 31 N PHE A 4 19.954 -6.075 -6.274 1.00 0.00 N ATOM 32 CA PHE A 4 18.876 -5.316 -6.898 1.00 0.00 C ATOM 33 C PHE A 4 19.484 -4.015 -7.385 1.00 0.00 C ATOM 34 O PHE A 4 19.179 -3.521 -8.463 1.00 0.00 O ATOM 35 CB PHE A 4 17.812 -5.015 -5.835 1.00 0.00 C ATOM 36 CG PHE A 4 16.735 -4.028 -6.243 1.00 0.00 C ATOM 37 CD1 PHE A 4 16.955 -2.642 -6.149 1.00 0.00 C ATOM 38 CD2 PHE A 4 15.496 -4.500 -6.704 1.00 0.00 C ATOM 39 CE1 PHE A 4 15.932 -1.744 -6.477 1.00 0.00 C ATOM 40 CE2 PHE A 4 14.478 -3.598 -7.050 1.00 0.00 C ATOM 41 CZ PHE A 4 14.704 -2.216 -6.953 1.00 0.00 C ATOM 0 H PHE A 4 20.767 -5.509 -6.031 1.00 0.00 H new ATOM 0 HA PHE A 4 18.417 -5.865 -7.720 1.00 0.00 H new ATOM 0 HB2 PHE A 4 17.332 -5.952 -5.552 1.00 0.00 H new ATOM 0 HB3 PHE A 4 18.312 -4.632 -4.945 1.00 0.00 H new ATOM 0 HD1 PHE A 4 17.915 -2.270 -5.823 1.00 0.00 H new ATOM 0 HD2 PHE A 4 15.325 -5.563 -6.793 1.00 0.00 H new ATOM 0 HE1 PHE A 4 16.092 -0.682 -6.362 1.00 0.00 H new ATOM 0 HE2 PHE A 4 13.522 -3.967 -7.391 1.00 0.00 H new ATOM 0 HZ PHE A 4 13.932 -1.519 -7.245 1.00 0.00 H new ATOM 51 N GLU A 5 20.364 -3.480 -6.543 1.00 0.00 N ATOM 52 CA GLU A 5 21.111 -2.272 -6.792 1.00 0.00 C ATOM 53 C GLU A 5 21.837 -2.281 -8.126 1.00 0.00 C ATOM 54 O GLU A 5 21.717 -1.335 -8.895 1.00 0.00 O ATOM 55 CB GLU A 5 22.168 -2.187 -5.711 1.00 0.00 C ATOM 56 CG GLU A 5 21.556 -2.030 -4.321 1.00 0.00 C ATOM 57 CD GLU A 5 22.646 -1.948 -3.255 1.00 0.00 C ATOM 58 OE1 GLU A 5 23.648 -2.687 -3.398 1.00 0.00 O ATOM 59 OE2 GLU A 5 22.472 -1.153 -2.305 1.00 0.00 O ATOM 0 H GLU A 5 20.577 -3.899 -5.638 1.00 0.00 H new ATOM 0 HA GLU A 5 20.412 -1.436 -6.801 1.00 0.00 H new ATOM 0 HB2 GLU A 5 22.785 -3.086 -5.736 1.00 0.00 H new ATOM 0 HB3 GLU A 5 22.827 -1.343 -5.914 1.00 0.00 H new ATOM 0 HG2 GLU A 5 20.941 -1.131 -4.289 1.00 0.00 H new ATOM 0 HG3 GLU A 5 20.898 -2.873 -4.111 1.00 0.00 H new ATOM 66 N LYS A 6 22.605 -3.334 -8.429 1.00 0.00 N ATOM 67 CA LYS A 6 23.428 -3.314 -9.620 1.00 0.00 C ATOM 68 C LYS A 6 22.558 -3.360 -10.864 1.00 0.00 C ATOM 69 O LYS A 6 22.826 -2.659 -11.831 1.00 0.00 O ATOM 70 CB LYS A 6 24.359 -4.516 -9.620 1.00 0.00 C ATOM 71 CG LYS A 6 25.739 -4.181 -9.048 1.00 0.00 C ATOM 72 CD LYS A 6 25.704 -3.696 -7.595 1.00 0.00 C ATOM 73 CE LYS A 6 25.207 -4.804 -6.662 1.00 0.00 C ATOM 74 NZ LYS A 6 25.303 -4.393 -5.248 1.00 0.00 N ATOM 0 H LYS A 6 22.667 -4.187 -7.874 1.00 0.00 H new ATOM 0 HA LYS A 6 24.011 -2.393 -9.624 1.00 0.00 H new ATOM 0 HB2 LYS A 6 23.911 -5.320 -9.036 1.00 0.00 H new ATOM 0 HB3 LYS A 6 24.471 -4.887 -10.639 1.00 0.00 H new ATOM 0 HG2 LYS A 6 26.373 -5.066 -9.111 1.00 0.00 H new ATOM 0 HG3 LYS A 6 26.202 -3.412 -9.667 1.00 0.00 H new ATOM 0 HD2 LYS A 6 26.701 -3.377 -7.289 1.00 0.00 H new ATOM 0 HD3 LYS A 6 25.052 -2.826 -7.513 1.00 0.00 H new ATOM 0 HE2 LYS A 6 24.173 -5.049 -6.903 1.00 0.00 H new ATOM 0 HE3 LYS A 6 25.794 -5.708 -6.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 24.913 -5.142 -4.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 26.300 -4.231 -5.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 24.764 -3.515 -5.104 1.00 0.00 H new ATOM 88 N GLN A 7 21.511 -4.181 -10.842 1.00 0.00 N ATOM 89 CA GLN A 7 20.555 -4.259 -11.930 1.00 0.00 C ATOM 90 C GLN A 7 19.759 -2.956 -12.037 1.00 0.00 C ATOM 91 O GLN A 7 18.973 -2.782 -12.966 1.00 0.00 O ATOM 92 CB GLN A 7 19.678 -5.475 -11.667 1.00 0.00 C ATOM 93 CG GLN A 7 20.634 -6.661 -11.504 1.00 0.00 C ATOM 94 CD GLN A 7 19.895 -7.976 -11.538 1.00 0.00 C ATOM 95 OE1 GLN A 7 19.932 -8.751 -10.588 1.00 0.00 O ATOM 96 NE2 GLN A 7 19.216 -8.234 -12.647 1.00 0.00 N ATOM 0 H GLN A 7 21.306 -4.810 -10.065 1.00 0.00 H new ATOM 0 HA GLN A 7 21.049 -4.379 -12.894 1.00 0.00 H new ATOM 0 HB2 GLN A 7 19.075 -5.334 -10.770 1.00 0.00 H new ATOM 0 HB3 GLN A 7 18.986 -5.643 -12.493 1.00 0.00 H new ATOM 0 HG2 GLN A 7 21.379 -6.641 -12.299 1.00 0.00 H new ATOM 0 HG3 GLN A 7 21.172 -6.569 -10.560 1.00 0.00 H new ATOM 0 HE21 GLN A 7 19.214 -7.559 -13.412 1.00 0.00 H new ATOM 0 HE22 GLN A 7 18.696 -9.107 -12.735 1.00 0.00 H new ATOM 105 N LYS A 8 19.963 -2.036 -11.085 1.00 0.00 N ATOM 106 CA LYS A 8 19.306 -0.744 -11.042 1.00 0.00 C ATOM 107 C LYS A 8 20.270 0.395 -11.355 1.00 0.00 C ATOM 108 O LYS A 8 19.827 1.418 -11.872 1.00 0.00 O ATOM 109 CB LYS A 8 18.717 -0.586 -9.647 1.00 0.00 C ATOM 110 CG LYS A 8 17.966 0.730 -9.523 1.00 0.00 C ATOM 111 CD LYS A 8 17.343 0.777 -8.138 1.00 0.00 C ATOM 112 CE LYS A 8 18.435 0.693 -7.077 1.00 0.00 C ATOM 113 NZ LYS A 8 17.956 1.157 -5.756 1.00 0.00 N ATOM 0 H LYS A 8 20.608 -2.183 -10.309 1.00 0.00 H new ATOM 0 HA LYS A 8 18.526 -0.699 -11.802 1.00 0.00 H new ATOM 0 HB2 LYS A 8 18.042 -1.416 -9.436 1.00 0.00 H new ATOM 0 HB3 LYS A 8 19.514 -0.626 -8.904 1.00 0.00 H new ATOM 0 HG2 LYS A 8 18.643 1.572 -9.667 1.00 0.00 H new ATOM 0 HG3 LYS A 8 17.197 0.805 -10.291 1.00 0.00 H new ATOM 0 HD2 LYS A 8 16.775 1.699 -8.016 1.00 0.00 H new ATOM 0 HD3 LYS A 8 16.641 -0.048 -8.017 1.00 0.00 H new ATOM 0 HE2 LYS A 8 18.784 -0.336 -6.996 1.00 0.00 H new ATOM 0 HE3 LYS A 8 19.289 1.296 -7.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 18.771 1.392 -5.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 17.362 2.002 -5.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 17.398 0.404 -5.305 1.00 0.00 H new ATOM 127 N GLU A 9 21.565 0.243 -11.064 1.00 0.00 N ATOM 128 CA GLU A 9 22.536 1.278 -11.398 1.00 0.00 C ATOM 129 C GLU A 9 23.493 0.855 -12.519 1.00 0.00 C ATOM 130 O GLU A 9 24.374 1.626 -12.894 1.00 0.00 O ATOM 131 CB GLU A 9 23.259 1.889 -10.196 1.00 0.00 C ATOM 132 CG GLU A 9 24.053 0.871 -9.405 1.00 0.00 C ATOM 133 CD GLU A 9 25.079 1.549 -8.497 1.00 0.00 C ATOM 134 OE1 GLU A 9 24.676 2.010 -7.406 1.00 0.00 O ATOM 135 OE2 GLU A 9 26.260 1.605 -8.904 1.00 0.00 O ATOM 0 H GLU A 9 21.958 -0.578 -10.603 1.00 0.00 H new ATOM 0 HA GLU A 9 21.935 2.097 -11.794 1.00 0.00 H new ATOM 0 HB2 GLU A 9 23.930 2.675 -10.543 1.00 0.00 H new ATOM 0 HB3 GLU A 9 22.527 2.361 -9.540 1.00 0.00 H new ATOM 0 HG2 GLU A 9 23.375 0.266 -8.803 1.00 0.00 H new ATOM 0 HG3 GLU A 9 24.562 0.193 -10.089 1.00 0.00 H new ATOM 142 N GLN A 10 23.341 -0.352 -13.069 1.00 0.00 N ATOM 143 CA GLN A 10 24.002 -0.660 -14.328 1.00 0.00 C ATOM 144 C GLN A 10 23.236 0.015 -15.463 1.00 0.00 C ATOM 145 O GLN A 10 23.836 0.680 -16.304 1.00 0.00 O ATOM 146 CB GLN A 10 24.035 -2.172 -14.544 1.00 0.00 C ATOM 147 CG GLN A 10 24.996 -2.506 -15.680 1.00 0.00 C ATOM 148 CD GLN A 10 24.552 -3.753 -16.432 1.00 0.00 C ATOM 149 OE1 GLN A 10 25.005 -4.859 -16.161 1.00 0.00 O ATOM 150 NE2 GLN A 10 23.651 -3.568 -17.396 1.00 0.00 N ATOM 0 H GLN A 10 22.783 -1.108 -12.673 1.00 0.00 H new ATOM 0 HA GLN A 10 25.028 -0.291 -14.307 1.00 0.00 H new ATOM 0 HB2 GLN A 10 24.350 -2.673 -13.629 1.00 0.00 H new ATOM 0 HB3 GLN A 10 23.036 -2.538 -14.780 1.00 0.00 H new ATOM 0 HG2 GLN A 10 25.054 -1.664 -16.370 1.00 0.00 H new ATOM 0 HG3 GLN A 10 25.998 -2.658 -15.279 1.00 0.00 H new ATOM 0 HE21 GLN A 10 23.298 -2.631 -17.591 1.00 0.00 H new ATOM 0 HE22 GLN A 10 23.314 -4.363 -17.939 1.00 0.00 H new ATOM 159 N GLY A 11 21.908 -0.147 -15.496 1.00 0.00 N ATOM 160 CA GLY A 11 21.075 0.493 -16.510 1.00 0.00 C ATOM 161 C GLY A 11 21.149 2.013 -16.382 1.00 0.00 C ATOM 162 O GLY A 11 20.928 2.730 -17.350 1.00 0.00 O ATOM 0 H GLY A 11 21.390 -0.718 -14.828 1.00 0.00 H new ATOM 0 HA2 GLY A 11 21.404 0.189 -17.504 1.00 0.00 H new ATOM 0 HA3 GLY A 11 20.042 0.163 -16.402 1.00 0.00 H new ATOM 166 N ASN A 12 21.475 2.497 -15.181 1.00 0.00 N ATOM 167 CA ASN A 12 21.745 3.890 -14.835 1.00 0.00 C ATOM 168 C ASN A 12 22.990 4.403 -15.560 1.00 0.00 C ATOM 169 O ASN A 12 23.446 5.516 -15.314 1.00 0.00 O ATOM 170 CB ASN A 12 21.947 3.842 -13.334 1.00 0.00 C ATOM 171 CG ASN A 12 22.302 5.098 -12.557 1.00 0.00 C ATOM 172 OD1 ASN A 12 22.041 6.231 -12.958 1.00 0.00 O ATOM 173 ND2 ASN A 12 22.920 4.839 -11.405 1.00 0.00 N ATOM 0 H ASN A 12 21.563 1.882 -14.372 1.00 0.00 H new ATOM 0 HA ASN A 12 20.946 4.571 -15.128 1.00 0.00 H new ATOM 0 HB2 ASN A 12 21.029 3.445 -12.900 1.00 0.00 H new ATOM 0 HB3 ASN A 12 22.733 3.112 -13.140 1.00 0.00 H new ATOM 0 HD21 ASN A 12 23.207 5.606 -10.796 1.00 0.00 H new ATOM 0 HD22 ASN A 12 23.106 3.874 -11.132 1.00 0.00 H new ATOM 180 N SER A 13 23.543 3.590 -16.458 1.00 0.00 N ATOM 181 CA SER A 13 24.611 4.014 -17.349 1.00 0.00 C ATOM 182 C SER A 13 24.440 3.416 -18.747 1.00 0.00 C ATOM 183 O SER A 13 25.323 3.557 -19.588 1.00 0.00 O ATOM 184 CB SER A 13 25.971 3.682 -16.736 1.00 0.00 C ATOM 185 OG SER A 13 26.166 2.286 -16.671 1.00 0.00 O ATOM 0 H SER A 13 23.260 2.618 -16.585 1.00 0.00 H new ATOM 0 HA SER A 13 24.559 5.096 -17.470 1.00 0.00 H new ATOM 0 HB2 SER A 13 26.763 4.137 -17.331 1.00 0.00 H new ATOM 0 HB3 SER A 13 26.038 4.110 -15.736 1.00 0.00 H new ATOM 0 HG SER A 13 25.304 1.842 -16.527 1.00 0.00 H new ATOM 191 N LEU A 14 23.305 2.749 -19.001 1.00 0.00 N ATOM 192 CA LEU A 14 22.892 2.336 -20.341 1.00 0.00 C ATOM 193 C LEU A 14 21.758 3.248 -20.813 1.00 0.00 C ATOM 194 O LEU A 14 21.721 3.655 -21.975 1.00 0.00 O ATOM 195 CB LEU A 14 22.410 0.878 -20.309 1.00 0.00 C ATOM 196 CG LEU A 14 23.511 -0.171 -20.419 1.00 0.00 C ATOM 197 CD1 LEU A 14 24.136 -0.318 -19.053 1.00 0.00 C ATOM 198 CD2 LEU A 14 22.903 -1.516 -20.810 1.00 0.00 C ATOM 0 H LEU A 14 22.644 2.481 -18.272 1.00 0.00 H new ATOM 0 HA LEU A 14 23.735 2.413 -21.028 1.00 0.00 H new ATOM 0 HB2 LEU A 14 21.864 0.713 -19.380 1.00 0.00 H new ATOM 0 HB3 LEU A 14 21.704 0.727 -21.125 1.00 0.00 H new ATOM 0 HG LEU A 14 24.244 0.130 -21.167 1.00 0.00 H new ATOM 0 HD11 LEU A 14 24.930 -1.063 -19.095 1.00 0.00 H new ATOM 0 HD12 LEU A 14 24.552 0.639 -18.738 1.00 0.00 H new ATOM 0 HD13 LEU A 14 23.377 -0.636 -18.338 1.00 0.00 H new ATOM 0 HD21 LEU A 14 23.693 -2.263 -20.888 1.00 0.00 H new ATOM 0 HD22 LEU A 14 22.184 -1.825 -20.051 1.00 0.00 H new ATOM 0 HD23 LEU A 14 22.397 -1.421 -21.771 1.00 0.00 H new ATOM 210 N PHE A 15 20.827 3.581 -19.917 1.00 0.00 N ATOM 211 CA PHE A 15 19.699 4.455 -20.199 1.00 0.00 C ATOM 212 C PHE A 15 20.201 5.828 -20.611 1.00 0.00 C ATOM 213 O PHE A 15 19.573 6.515 -21.411 1.00 0.00 O ATOM 214 CB PHE A 15 18.865 4.558 -18.919 1.00 0.00 C ATOM 215 CG PHE A 15 17.997 5.788 -18.797 1.00 0.00 C ATOM 216 CD1 PHE A 15 16.815 5.899 -19.542 1.00 0.00 C ATOM 217 CD2 PHE A 15 18.371 6.818 -17.919 1.00 0.00 C ATOM 218 CE1 PHE A 15 16.010 7.037 -19.407 1.00 0.00 C ATOM 219 CE2 PHE A 15 17.553 7.943 -17.766 1.00 0.00 C ATOM 220 CZ PHE A 15 16.380 8.058 -18.518 1.00 0.00 C ATOM 0 H PHE A 15 20.841 3.240 -18.956 1.00 0.00 H new ATOM 0 HA PHE A 15 19.095 4.057 -21.015 1.00 0.00 H new ATOM 0 HB2 PHE A 15 18.226 3.677 -18.852 1.00 0.00 H new ATOM 0 HB3 PHE A 15 19.541 4.527 -18.064 1.00 0.00 H new ATOM 0 HD1 PHE A 15 16.526 5.109 -20.219 1.00 0.00 H new ATOM 0 HD2 PHE A 15 19.292 6.742 -17.360 1.00 0.00 H new ATOM 0 HE1 PHE A 15 15.104 7.129 -19.987 1.00 0.00 H new ATOM 0 HE2 PHE A 15 17.827 8.721 -17.069 1.00 0.00 H new ATOM 0 HZ PHE A 15 15.757 8.934 -18.415 1.00 0.00 H new ATOM 230 N LYS A 16 21.345 6.224 -20.058 1.00 0.00 N ATOM 231 CA LYS A 16 21.913 7.530 -20.300 1.00 0.00 C ATOM 232 C LYS A 16 22.747 7.579 -21.587 1.00 0.00 C ATOM 233 O LYS A 16 23.278 8.635 -21.923 1.00 0.00 O ATOM 234 CB LYS A 16 22.782 7.889 -19.098 1.00 0.00 C ATOM 235 CG LYS A 16 22.090 7.493 -17.799 1.00 0.00 C ATOM 236 CD LYS A 16 22.867 8.024 -16.605 1.00 0.00 C ATOM 237 CE LYS A 16 22.756 9.543 -16.513 1.00 0.00 C ATOM 238 NZ LYS A 16 23.522 10.061 -15.363 1.00 0.00 N ATOM 0 H LYS A 16 21.898 5.641 -19.430 1.00 0.00 H new ATOM 0 HA LYS A 16 21.103 8.247 -20.431 1.00 0.00 H new ATOM 0 HB2 LYS A 16 23.744 7.382 -19.173 1.00 0.00 H new ATOM 0 HB3 LYS A 16 22.986 8.960 -19.096 1.00 0.00 H new ATOM 0 HG2 LYS A 16 21.074 7.888 -17.785 1.00 0.00 H new ATOM 0 HG3 LYS A 16 22.011 6.408 -17.737 1.00 0.00 H new ATOM 0 HD2 LYS A 16 22.487 7.572 -15.689 1.00 0.00 H new ATOM 0 HD3 LYS A 16 23.915 7.737 -16.691 1.00 0.00 H new ATOM 0 HE2 LYS A 16 23.126 9.995 -17.434 1.00 0.00 H new ATOM 0 HE3 LYS A 16 21.709 9.829 -16.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 24.057 10.904 -15.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 22.867 10.314 -14.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 24.182 9.330 -15.028 1.00 0.00 H new ATOM 252 N GLN A 17 22.870 6.455 -22.307 1.00 0.00 N ATOM 253 CA GLN A 17 23.743 6.345 -23.468 1.00 0.00 C ATOM 254 C GLN A 17 22.977 6.317 -24.782 1.00 0.00 C ATOM 255 O GLN A 17 23.559 6.577 -25.834 1.00 0.00 O ATOM 256 CB GLN A 17 24.529 5.040 -23.360 1.00 0.00 C ATOM 257 CG GLN A 17 25.565 5.141 -22.248 1.00 0.00 C ATOM 258 CD GLN A 17 26.584 4.007 -22.329 1.00 0.00 C ATOM 259 OE1 GLN A 17 27.790 4.246 -22.325 1.00 0.00 O ATOM 260 NE2 GLN A 17 26.120 2.763 -22.406 1.00 0.00 N ATOM 0 H GLN A 17 22.361 5.597 -22.094 1.00 0.00 H new ATOM 0 HA GLN A 17 24.390 7.222 -23.472 1.00 0.00 H new ATOM 0 HB2 GLN A 17 23.848 4.213 -23.159 1.00 0.00 H new ATOM 0 HB3 GLN A 17 25.022 4.824 -24.308 1.00 0.00 H new ATOM 0 HG2 GLN A 17 26.080 6.100 -22.315 1.00 0.00 H new ATOM 0 HG3 GLN A 17 25.065 5.114 -21.280 1.00 0.00 H new ATOM 0 HE21 GLN A 17 25.114 2.593 -22.407 1.00 0.00 H new ATOM 0 HE22 GLN A 17 26.770 1.979 -22.464 1.00 0.00 H new ATOM 269 N GLY A 18 21.680 6.000 -24.739 1.00 0.00 N ATOM 270 CA GLY A 18 20.909 5.869 -25.965 1.00 0.00 C ATOM 271 C GLY A 18 20.057 4.628 -26.002 1.00 0.00 C ATOM 272 O GLY A 18 19.037 4.571 -26.688 1.00 0.00 O ATOM 0 H GLY A 18 21.154 5.833 -23.881 1.00 0.00 H new ATOM 0 HA2 GLY A 18 20.269 6.744 -26.079 1.00 0.00 H new ATOM 0 HA3 GLY A 18 21.591 5.859 -26.816 1.00 0.00 H new ATOM 276 N LEU A 19 20.494 3.623 -25.249 1.00 0.00 N ATOM 277 CA LEU A 19 19.953 2.292 -25.371 1.00 0.00 C ATOM 278 C LEU A 19 19.049 1.993 -24.197 1.00 0.00 C ATOM 279 O LEU A 19 19.276 1.104 -23.378 1.00 0.00 O ATOM 280 CB LEU A 19 21.071 1.297 -25.650 1.00 0.00 C ATOM 281 CG LEU A 19 22.458 1.620 -25.082 1.00 0.00 C ATOM 282 CD1 LEU A 19 22.502 1.183 -23.625 1.00 0.00 C ATOM 283 CD2 LEU A 19 23.526 0.833 -25.835 1.00 0.00 C ATOM 0 H LEU A 19 21.227 3.716 -24.546 1.00 0.00 H new ATOM 0 HA LEU A 19 19.299 2.200 -26.238 1.00 0.00 H new ATOM 0 HB2 LEU A 19 20.764 0.327 -25.259 1.00 0.00 H new ATOM 0 HB3 LEU A 19 21.166 1.190 -26.731 1.00 0.00 H new ATOM 0 HG LEU A 19 22.643 2.690 -25.180 1.00 0.00 H new ATOM 0 HD11 LEU A 19 23.484 1.407 -23.208 1.00 0.00 H new ATOM 0 HD12 LEU A 19 21.738 1.718 -23.061 1.00 0.00 H new ATOM 0 HD13 LEU A 19 22.316 0.111 -23.561 1.00 0.00 H new ATOM 0 HD21 LEU A 19 24.508 1.068 -25.425 1.00 0.00 H new ATOM 0 HD22 LEU A 19 23.334 -0.235 -25.728 1.00 0.00 H new ATOM 0 HD23 LEU A 19 23.500 1.102 -26.891 1.00 0.00 H new ATOM 295 N TYR A 20 17.994 2.800 -24.163 1.00 0.00 N ATOM 296 CA TYR A 20 16.946 2.783 -23.170 1.00 0.00 C ATOM 297 C TYR A 20 16.444 1.376 -22.921 1.00 0.00 C ATOM 298 O TYR A 20 16.226 1.006 -21.775 1.00 0.00 O ATOM 299 CB TYR A 20 15.832 3.668 -23.722 1.00 0.00 C ATOM 300 CG TYR A 20 16.374 4.982 -24.235 1.00 0.00 C ATOM 301 CD1 TYR A 20 17.212 5.752 -23.416 1.00 0.00 C ATOM 302 CD2 TYR A 20 16.062 5.417 -25.535 1.00 0.00 C ATOM 303 CE1 TYR A 20 17.747 6.954 -23.901 1.00 0.00 C ATOM 304 CE2 TYR A 20 16.593 6.620 -26.023 1.00 0.00 C ATOM 305 CZ TYR A 20 17.439 7.392 -25.204 1.00 0.00 C ATOM 306 OH TYR A 20 17.961 8.562 -25.673 1.00 0.00 O ATOM 0 H TYR A 20 17.847 3.520 -24.870 1.00 0.00 H new ATOM 0 HA TYR A 20 17.310 3.149 -22.210 1.00 0.00 H new ATOM 0 HB2 TYR A 20 15.316 3.146 -24.528 1.00 0.00 H new ATOM 0 HB3 TYR A 20 15.095 3.857 -22.942 1.00 0.00 H new ATOM 0 HD1 TYR A 20 17.445 5.420 -22.415 1.00 0.00 H new ATOM 0 HD2 TYR A 20 15.411 4.823 -26.160 1.00 0.00 H new ATOM 0 HE1 TYR A 20 18.397 7.546 -23.274 1.00 0.00 H new ATOM 0 HE2 TYR A 20 16.354 6.953 -27.022 1.00 0.00 H new ATOM 0 HH TYR A 20 17.649 8.715 -26.589 1.00 0.00 H new ATOM 316 N ARG A 21 16.261 0.584 -23.984 1.00 0.00 N ATOM 317 CA ARG A 21 15.680 -0.742 -23.864 1.00 0.00 C ATOM 318 C ARG A 21 16.685 -1.678 -23.231 1.00 0.00 C ATOM 319 O ARG A 21 16.324 -2.474 -22.376 1.00 0.00 O ATOM 320 CB ARG A 21 15.350 -1.235 -25.272 1.00 0.00 C ATOM 321 CG ARG A 21 14.110 -2.121 -25.322 1.00 0.00 C ATOM 322 CD ARG A 21 14.071 -3.188 -24.227 1.00 0.00 C ATOM 323 NE ARG A 21 12.910 -4.069 -24.394 1.00 0.00 N ATOM 324 CZ ARG A 21 12.709 -5.184 -23.686 1.00 0.00 C ATOM 325 NH1 ARG A 21 13.588 -5.571 -22.764 1.00 0.00 N ATOM 326 NH2 ARG A 21 11.623 -5.920 -23.901 1.00 0.00 N ATOM 0 H ARG A 21 16.511 0.847 -24.937 1.00 0.00 H new ATOM 0 HA ARG A 21 14.783 -0.712 -23.245 1.00 0.00 H new ATOM 0 HB2 ARG A 21 15.201 -0.375 -25.926 1.00 0.00 H new ATOM 0 HB3 ARG A 21 16.202 -1.790 -25.665 1.00 0.00 H new ATOM 0 HG2 ARG A 21 13.223 -1.494 -25.237 1.00 0.00 H new ATOM 0 HG3 ARG A 21 14.063 -2.610 -26.295 1.00 0.00 H new ATOM 0 HD2 ARG A 21 14.987 -3.778 -24.256 1.00 0.00 H new ATOM 0 HD3 ARG A 21 14.031 -2.709 -23.249 1.00 0.00 H new ATOM 0 HE ARG A 21 12.213 -3.815 -25.094 1.00 0.00 H new ATOM 0 HH11 ARG A 21 14.425 -5.014 -22.592 1.00 0.00 H new ATOM 0 HH12 ARG A 21 13.424 -6.424 -22.229 1.00 0.00 H new ATOM 0 HH21 ARG A 21 10.944 -5.633 -24.606 1.00 0.00 H new ATOM 0 HH22 ARG A 21 11.469 -6.771 -23.361 1.00 0.00 H new ATOM 340 N GLU A 22 17.946 -1.583 -23.642 1.00 0.00 N ATOM 341 CA GLU A 22 19.002 -2.396 -23.059 1.00 0.00 C ATOM 342 C GLU A 22 19.134 -2.072 -21.575 1.00 0.00 C ATOM 343 O GLU A 22 19.521 -2.920 -20.771 1.00 0.00 O ATOM 344 CB GLU A 22 20.315 -2.106 -23.766 1.00 0.00 C ATOM 345 CG GLU A 22 20.163 -2.388 -25.255 1.00 0.00 C ATOM 346 CD GLU A 22 19.884 -3.863 -25.534 1.00 0.00 C ATOM 347 OE1 GLU A 22 20.850 -4.658 -25.478 1.00 0.00 O ATOM 348 OE2 GLU A 22 18.705 -4.187 -25.802 1.00 0.00 O ATOM 0 H GLU A 22 18.259 -0.950 -24.378 1.00 0.00 H new ATOM 0 HA GLU A 22 18.755 -3.451 -23.176 1.00 0.00 H new ATOM 0 HB2 GLU A 22 20.603 -1.066 -23.609 1.00 0.00 H new ATOM 0 HB3 GLU A 22 21.110 -2.723 -23.347 1.00 0.00 H new ATOM 0 HG2 GLU A 22 19.350 -1.783 -25.657 1.00 0.00 H new ATOM 0 HG3 GLU A 22 21.072 -2.087 -25.775 1.00 0.00 H new ATOM 355 N ALA A 23 18.799 -0.829 -21.225 1.00 0.00 N ATOM 356 CA ALA A 23 18.799 -0.377 -19.850 1.00 0.00 C ATOM 357 C ALA A 23 17.626 -0.981 -19.076 1.00 0.00 C ATOM 358 O ALA A 23 17.780 -1.317 -17.902 1.00 0.00 O ATOM 359 CB ALA A 23 18.734 1.150 -19.842 1.00 0.00 C ATOM 0 H ALA A 23 18.521 -0.113 -21.896 1.00 0.00 H new ATOM 0 HA ALA A 23 19.712 -0.706 -19.355 1.00 0.00 H new ATOM 0 HB1 ALA A 23 18.733 1.509 -18.813 1.00 0.00 H new ATOM 0 HB2 ALA A 23 19.600 1.554 -20.366 1.00 0.00 H new ATOM 0 HB3 ALA A 23 17.822 1.478 -20.341 1.00 0.00 H new ATOM 365 N VAL A 24 16.457 -1.126 -19.715 1.00 0.00 N ATOM 366 CA VAL A 24 15.280 -1.675 -19.089 1.00 0.00 C ATOM 367 C VAL A 24 15.434 -3.168 -18.942 1.00 0.00 C ATOM 368 O VAL A 24 14.858 -3.811 -18.070 1.00 0.00 O ATOM 369 CB VAL A 24 14.018 -1.398 -19.891 1.00 0.00 C ATOM 370 CG1 VAL A 24 13.932 -0.041 -20.557 1.00 0.00 C ATOM 371 CG2 VAL A 24 13.498 -2.526 -20.753 1.00 0.00 C ATOM 0 H VAL A 24 16.316 -0.859 -20.689 1.00 0.00 H new ATOM 0 HA VAL A 24 15.180 -1.194 -18.116 1.00 0.00 H new ATOM 0 HB VAL A 24 13.295 -1.344 -19.077 1.00 0.00 H new ATOM 0 HG11 VAL A 24 12.989 0.040 -21.098 1.00 0.00 H new ATOM 0 HG12 VAL A 24 13.983 0.740 -19.799 1.00 0.00 H new ATOM 0 HG13 VAL A 24 14.762 0.075 -21.254 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.596 -2.201 -21.272 1.00 0.00 H new ATOM 0 HG22 VAL A 24 14.257 -2.805 -21.484 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.266 -3.386 -20.125 1.00 0.00 H new ATOM 381 N HIS A 25 16.247 -3.694 -19.842 1.00 0.00 N ATOM 382 CA HIS A 25 16.584 -5.090 -19.929 1.00 0.00 C ATOM 383 C HIS A 25 17.322 -5.583 -18.682 1.00 0.00 C ATOM 384 O HIS A 25 17.604 -6.773 -18.563 1.00 0.00 O ATOM 385 CB HIS A 25 17.418 -5.277 -21.186 1.00 0.00 C ATOM 386 CG HIS A 25 16.961 -6.430 -22.030 1.00 0.00 C ATOM 387 ND1 HIS A 25 16.680 -7.731 -21.602 1.00 0.00 N ATOM 388 CD2 HIS A 25 16.734 -6.336 -23.368 1.00 0.00 C ATOM 389 CE1 HIS A 25 16.272 -8.376 -22.709 1.00 0.00 C ATOM 390 NE2 HIS A 25 16.305 -7.572 -23.782 1.00 0.00 N ATOM 0 H HIS A 25 16.705 -3.130 -20.558 1.00 0.00 H new ATOM 0 HA HIS A 25 15.675 -5.689 -19.984 1.00 0.00 H new ATOM 0 HB2 HIS A 25 17.380 -4.363 -21.779 1.00 0.00 H new ATOM 0 HB3 HIS A 25 18.460 -5.431 -20.904 1.00 0.00 H new ATOM 0 HD2 HIS A 25 16.866 -5.459 -23.985 1.00 0.00 H new ATOM 0 HE1 HIS A 25 15.958 -9.409 -22.731 1.00 0.00 H new ATOM 0 HE2 HIS A 25 16.056 -7.833 -24.736 1.00 0.00 H new ATOM 398 N CYS A 26 17.626 -4.665 -17.758 1.00 0.00 N ATOM 399 CA CYS A 26 18.211 -4.973 -16.464 1.00 0.00 C ATOM 400 C CYS A 26 17.296 -4.443 -15.363 1.00 0.00 C ATOM 401 O CYS A 26 17.248 -4.989 -14.262 1.00 0.00 O ATOM 402 CB CYS A 26 19.599 -4.336 -16.373 1.00 0.00 C ATOM 403 SG CYS A 26 20.665 -5.032 -17.665 1.00 0.00 S ATOM 0 H CYS A 26 17.466 -3.668 -17.900 1.00 0.00 H new ATOM 0 HA CYS A 26 18.316 -6.051 -16.343 1.00 0.00 H new ATOM 0 HB2 CYS A 26 19.524 -3.255 -16.491 1.00 0.00 H new ATOM 0 HB3 CYS A 26 20.032 -4.520 -15.390 1.00 0.00 H new ATOM 0 HG CYS A 26 21.788 -5.421 -17.138 1.00 0.00 H new ATOM 409 N TYR A 27 16.565 -3.369 -15.678 1.00 0.00 N ATOM 410 CA TYR A 27 15.519 -2.800 -14.844 1.00 0.00 C ATOM 411 C TYR A 27 14.392 -3.799 -14.632 1.00 0.00 C ATOM 412 O TYR A 27 13.779 -3.818 -13.574 1.00 0.00 O ATOM 413 CB TYR A 27 14.946 -1.619 -15.620 1.00 0.00 C ATOM 414 CG TYR A 27 15.826 -0.408 -15.781 1.00 0.00 C ATOM 415 CD1 TYR A 27 17.032 -0.272 -15.073 1.00 0.00 C ATOM 416 CD2 TYR A 27 15.407 0.604 -16.653 1.00 0.00 C ATOM 417 CE1 TYR A 27 17.812 0.878 -15.248 1.00 0.00 C ATOM 418 CE2 TYR A 27 16.170 1.757 -16.834 1.00 0.00 C ATOM 419 CZ TYR A 27 17.390 1.889 -16.135 1.00 0.00 C ATOM 420 OH TYR A 27 18.157 2.994 -16.314 1.00 0.00 O ATOM 0 H TYR A 27 16.695 -2.860 -16.552 1.00 0.00 H new ATOM 0 HA TYR A 27 15.928 -2.518 -13.874 1.00 0.00 H new ATOM 0 HB2 TYR A 27 14.670 -1.970 -16.614 1.00 0.00 H new ATOM 0 HB3 TYR A 27 14.026 -1.305 -15.126 1.00 0.00 H new ATOM 0 HD1 TYR A 27 17.356 -1.050 -14.398 1.00 0.00 H new ATOM 0 HD2 TYR A 27 14.479 0.490 -17.194 1.00 0.00 H new ATOM 0 HE1 TYR A 27 18.738 0.990 -14.703 1.00 0.00 H new ATOM 0 HE2 TYR A 27 15.833 2.538 -17.499 1.00 0.00 H new ATOM 0 HH TYR A 27 18.834 3.040 -15.607 1.00 0.00 H new ATOM 430 N ASP A 28 14.116 -4.634 -15.634 1.00 0.00 N ATOM 431 CA ASP A 28 13.017 -5.577 -15.595 1.00 0.00 C ATOM 432 C ASP A 28 13.227 -6.603 -14.487 1.00 0.00 C ATOM 433 O ASP A 28 12.262 -7.123 -13.931 1.00 0.00 O ATOM 434 CB ASP A 28 12.888 -6.248 -16.959 1.00 0.00 C ATOM 435 CG ASP A 28 11.637 -7.116 -17.035 1.00 0.00 C ATOM 436 OD1 ASP A 28 10.533 -6.527 -17.036 1.00 0.00 O ATOM 437 OD2 ASP A 28 11.795 -8.355 -17.094 1.00 0.00 O ATOM 0 H ASP A 28 14.657 -4.669 -16.498 1.00 0.00 H new ATOM 0 HA ASP A 28 12.089 -5.049 -15.373 1.00 0.00 H new ATOM 0 HB2 ASP A 28 12.853 -5.487 -17.739 1.00 0.00 H new ATOM 0 HB3 ASP A 28 13.770 -6.860 -17.150 1.00 0.00 H new ATOM 442 N GLN A 29 14.486 -6.901 -14.153 1.00 0.00 N ATOM 443 CA GLN A 29 14.762 -7.823 -13.074 1.00 0.00 C ATOM 444 C GLN A 29 14.564 -7.178 -11.706 1.00 0.00 C ATOM 445 O GLN A 29 14.465 -7.885 -10.710 1.00 0.00 O ATOM 446 CB GLN A 29 16.185 -8.367 -13.185 1.00 0.00 C ATOM 447 CG GLN A 29 16.324 -9.253 -14.421 1.00 0.00 C ATOM 448 CD GLN A 29 16.960 -8.514 -15.590 1.00 0.00 C ATOM 449 OE1 GLN A 29 18.129 -8.144 -15.530 1.00 0.00 O ATOM 450 NE2 GLN A 29 16.201 -8.296 -16.659 1.00 0.00 N ATOM 0 H GLN A 29 15.312 -6.518 -14.613 1.00 0.00 H new ATOM 0 HA GLN A 29 14.050 -8.644 -13.165 1.00 0.00 H new ATOM 0 HB2 GLN A 29 16.893 -7.540 -13.241 1.00 0.00 H new ATOM 0 HB3 GLN A 29 16.433 -8.939 -12.291 1.00 0.00 H new ATOM 0 HG2 GLN A 29 16.928 -10.126 -14.174 1.00 0.00 H new ATOM 0 HG3 GLN A 29 15.341 -9.619 -14.716 1.00 0.00 H new ATOM 0 HE21 GLN A 29 15.233 -8.619 -16.672 1.00 0.00 H new ATOM 0 HE22 GLN A 29 16.586 -7.806 -17.467 1.00 0.00 H new ATOM 459 N LEU A 30 14.498 -5.843 -11.630 1.00 0.00 N ATOM 460 CA LEU A 30 14.170 -5.181 -10.376 1.00 0.00 C ATOM 461 C LEU A 30 12.753 -5.562 -9.995 1.00 0.00 C ATOM 462 O LEU A 30 12.447 -5.747 -8.819 1.00 0.00 O ATOM 463 CB LEU A 30 14.224 -3.666 -10.558 1.00 0.00 C ATOM 464 CG LEU A 30 15.568 -3.165 -11.054 1.00 0.00 C ATOM 465 CD1 LEU A 30 15.594 -1.641 -11.010 1.00 0.00 C ATOM 466 CD2 LEU A 30 16.713 -3.724 -10.217 1.00 0.00 C ATOM 0 H LEU A 30 14.666 -5.213 -12.414 1.00 0.00 H new ATOM 0 HA LEU A 30 14.881 -5.483 -9.607 1.00 0.00 H new ATOM 0 HB2 LEU A 30 13.450 -3.365 -11.263 1.00 0.00 H new ATOM 0 HB3 LEU A 30 13.994 -3.185 -9.607 1.00 0.00 H new ATOM 0 HG LEU A 30 15.701 -3.508 -12.080 1.00 0.00 H new ATOM 0 HD11 LEU A 30 16.560 -1.283 -11.367 1.00 0.00 H new ATOM 0 HD12 LEU A 30 14.803 -1.245 -11.647 1.00 0.00 H new ATOM 0 HD13 LEU A 30 15.438 -1.304 -9.985 1.00 0.00 H new ATOM 0 HD21 LEU A 30 17.661 -3.346 -10.599 1.00 0.00 H new ATOM 0 HD22 LEU A 30 16.590 -3.414 -9.179 1.00 0.00 H new ATOM 0 HD23 LEU A 30 16.707 -4.813 -10.274 1.00 0.00 H new ATOM 478 N ILE A 31 11.887 -5.679 -11.006 1.00 0.00 N ATOM 479 CA ILE A 31 10.504 -6.038 -10.775 1.00 0.00 C ATOM 480 C ILE A 31 10.384 -7.539 -10.566 1.00 0.00 C ATOM 481 O ILE A 31 9.593 -7.992 -9.758 1.00 0.00 O ATOM 482 CB ILE A 31 9.636 -5.587 -11.951 1.00 0.00 C ATOM 483 CG1 ILE A 31 9.838 -4.117 -12.316 1.00 0.00 C ATOM 484 CG2 ILE A 31 8.207 -5.719 -11.470 1.00 0.00 C ATOM 485 CD1 ILE A 31 10.606 -3.984 -13.620 1.00 0.00 C ATOM 0 H ILE A 31 12.128 -5.529 -11.986 1.00 0.00 H new ATOM 0 HA ILE A 31 10.152 -5.533 -9.876 1.00 0.00 H new ATOM 0 HB ILE A 31 9.888 -6.186 -12.826 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.870 -3.624 -12.407 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.379 -3.611 -11.517 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.526 -5.412 -12.264 1.00 0.00 H new ATOM 0 HG22 ILE A 31 8.008 -6.757 -11.202 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.057 -5.084 -10.597 1.00 0.00 H new ATOM 0 HD11 ILE A 31 10.737 -2.929 -13.859 1.00 0.00 H new ATOM 0 HD12 ILE A 31 11.583 -4.457 -13.517 1.00 0.00 H new ATOM 0 HD13 ILE A 31 10.050 -4.471 -14.421 1.00 0.00 H new ATOM 497 N THR A 32 11.152 -8.351 -11.275 1.00 0.00 N ATOM 498 CA THR A 32 11.057 -9.786 -11.045 1.00 0.00 C ATOM 499 C THR A 32 11.694 -10.174 -9.713 1.00 0.00 C ATOM 500 O THR A 32 11.304 -11.183 -9.126 1.00 0.00 O ATOM 501 CB THR A 32 11.766 -10.485 -12.205 1.00 0.00 C ATOM 502 OG1 THR A 32 11.022 -10.304 -13.388 1.00 0.00 O ATOM 503 CG2 THR A 32 12.007 -11.974 -11.992 1.00 0.00 C ATOM 0 H THR A 32 11.822 -8.059 -11.986 1.00 0.00 H new ATOM 0 HA THR A 32 10.011 -10.089 -10.996 1.00 0.00 H new ATOM 0 HB THR A 32 12.750 -10.022 -12.275 1.00 0.00 H new ATOM 0 HG1 THR A 32 11.477 -10.751 -14.132 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.514 -12.389 -12.863 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.627 -12.119 -11.108 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.052 -12.481 -11.853 1.00 0.00 H new ATOM 511 N ALA A 33 12.664 -9.397 -9.223 1.00 0.00 N ATOM 512 CA ALA A 33 13.278 -9.681 -7.938 1.00 0.00 C ATOM 513 C ALA A 33 12.450 -9.067 -6.812 1.00 0.00 C ATOM 514 O ALA A 33 12.433 -9.576 -5.692 1.00 0.00 O ATOM 515 CB ALA A 33 14.692 -9.092 -7.894 1.00 0.00 C ATOM 0 H ALA A 33 13.034 -8.574 -9.698 1.00 0.00 H new ATOM 0 HA ALA A 33 13.325 -10.762 -7.807 1.00 0.00 H new ATOM 0 HB1 ALA A 33 15.147 -9.309 -6.927 1.00 0.00 H new ATOM 0 HB2 ALA A 33 15.295 -9.535 -8.686 1.00 0.00 H new ATOM 0 HB3 ALA A 33 14.641 -8.013 -8.037 1.00 0.00 H new ATOM 521 N GLN A 34 11.764 -7.968 -7.123 1.00 0.00 N ATOM 522 CA GLN A 34 10.936 -7.246 -6.186 1.00 0.00 C ATOM 523 C GLN A 34 9.738 -6.672 -6.927 1.00 0.00 C ATOM 524 O GLN A 34 9.642 -5.476 -7.179 1.00 0.00 O ATOM 525 CB GLN A 34 11.827 -6.177 -5.581 1.00 0.00 C ATOM 526 CG GLN A 34 11.546 -5.873 -4.116 1.00 0.00 C ATOM 527 CD GLN A 34 12.808 -5.249 -3.536 1.00 0.00 C ATOM 528 OE1 GLN A 34 13.067 -5.310 -2.337 1.00 0.00 O ATOM 529 NE2 GLN A 34 13.600 -4.646 -4.417 1.00 0.00 N ATOM 0 H GLN A 34 11.775 -7.554 -8.055 1.00 0.00 H new ATOM 0 HA GLN A 34 10.534 -7.873 -5.391 1.00 0.00 H new ATOM 0 HB2 GLN A 34 12.866 -6.490 -5.681 1.00 0.00 H new ATOM 0 HB3 GLN A 34 11.713 -5.259 -6.157 1.00 0.00 H new ATOM 0 HG2 GLN A 34 10.701 -5.192 -4.020 1.00 0.00 H new ATOM 0 HG3 GLN A 34 11.284 -6.784 -3.577 1.00 0.00 H new ATOM 0 HE21 GLN A 34 13.341 -4.622 -5.403 1.00 0.00 H new ATOM 0 HE22 GLN A 34 14.467 -4.207 -4.107 1.00 0.00 H new ATOM 538 N PRO A 35 8.808 -7.553 -7.286 1.00 0.00 N ATOM 539 CA PRO A 35 7.648 -7.222 -8.100 1.00 0.00 C ATOM 540 C PRO A 35 6.695 -6.319 -7.351 1.00 0.00 C ATOM 541 O PRO A 35 5.752 -5.760 -7.903 1.00 0.00 O ATOM 542 CB PRO A 35 7.047 -8.560 -8.491 1.00 0.00 C ATOM 543 CG PRO A 35 7.742 -9.626 -7.646 1.00 0.00 C ATOM 544 CD PRO A 35 8.862 -8.943 -6.900 1.00 0.00 C ATOM 0 HA PRO A 35 7.904 -6.650 -8.992 1.00 0.00 H new ATOM 0 HB2 PRO A 35 5.972 -8.567 -8.312 1.00 0.00 H new ATOM 0 HB3 PRO A 35 7.195 -8.753 -9.553 1.00 0.00 H new ATOM 0 HG2 PRO A 35 7.039 -10.084 -6.950 1.00 0.00 H new ATOM 0 HG3 PRO A 35 8.131 -10.425 -8.278 1.00 0.00 H new ATOM 0 HD2 PRO A 35 8.738 -9.054 -5.823 1.00 0.00 H new ATOM 0 HD3 PRO A 35 9.826 -9.382 -7.156 1.00 0.00 H new ATOM 552 N GLN A 36 6.993 -6.205 -6.065 1.00 0.00 N ATOM 553 CA GLN A 36 6.389 -5.227 -5.180 1.00 0.00 C ATOM 554 C GLN A 36 7.375 -4.122 -4.808 1.00 0.00 C ATOM 555 O GLN A 36 7.591 -3.837 -3.631 1.00 0.00 O ATOM 556 CB GLN A 36 5.775 -5.894 -3.950 1.00 0.00 C ATOM 557 CG GLN A 36 4.789 -7.005 -4.310 1.00 0.00 C ATOM 558 CD GLN A 36 5.387 -8.359 -3.956 1.00 0.00 C ATOM 559 OE1 GLN A 36 5.038 -8.963 -2.944 1.00 0.00 O ATOM 560 NE2 GLN A 36 6.298 -8.848 -4.792 1.00 0.00 N ATOM 0 H GLN A 36 7.676 -6.804 -5.601 1.00 0.00 H new ATOM 0 HA GLN A 36 5.573 -4.749 -5.722 1.00 0.00 H new ATOM 0 HB2 GLN A 36 6.571 -6.307 -3.331 1.00 0.00 H new ATOM 0 HB3 GLN A 36 5.264 -5.141 -3.351 1.00 0.00 H new ATOM 0 HG2 GLN A 36 3.851 -6.860 -3.773 1.00 0.00 H new ATOM 0 HG3 GLN A 36 4.556 -6.967 -5.374 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.564 -8.319 -5.623 1.00 0.00 H new ATOM 0 HE22 GLN A 36 6.731 -9.752 -4.603 1.00 0.00 H new ATOM 569 N ASN A 37 7.978 -3.499 -5.825 1.00 0.00 N ATOM 570 CA ASN A 37 8.887 -2.377 -5.644 1.00 0.00 C ATOM 571 C ASN A 37 8.673 -1.381 -6.785 1.00 0.00 C ATOM 572 O ASN A 37 8.516 -1.784 -7.936 1.00 0.00 O ATOM 573 CB ASN A 37 10.330 -2.883 -5.609 1.00 0.00 C ATOM 574 CG ASN A 37 11.094 -2.452 -6.846 1.00 0.00 C ATOM 575 OD1 ASN A 37 11.712 -1.391 -6.866 1.00 0.00 O ATOM 576 ND2 ASN A 37 11.045 -3.273 -7.881 1.00 0.00 N ATOM 0 H ASN A 37 7.844 -3.765 -6.801 1.00 0.00 H new ATOM 0 HA ASN A 37 8.687 -1.874 -4.698 1.00 0.00 H new ATOM 0 HB2 ASN A 37 10.830 -2.502 -4.719 1.00 0.00 H new ATOM 0 HB3 ASN A 37 10.335 -3.971 -5.536 1.00 0.00 H new ATOM 0 HD21 ASN A 37 11.534 -3.035 -8.744 1.00 0.00 H new ATOM 0 HD22 ASN A 37 10.518 -4.144 -7.817 1.00 0.00 H new ATOM 583 N PRO A 38 8.666 -0.082 -6.479 1.00 0.00 N ATOM 584 CA PRO A 38 8.425 0.975 -7.448 1.00 0.00 C ATOM 585 C PRO A 38 9.579 1.280 -8.397 1.00 0.00 C ATOM 586 O PRO A 38 9.337 1.387 -9.594 1.00 0.00 O ATOM 587 CB PRO A 38 8.216 2.219 -6.603 1.00 0.00 C ATOM 588 CG PRO A 38 8.071 1.765 -5.162 1.00 0.00 C ATOM 589 CD PRO A 38 8.844 0.462 -5.150 1.00 0.00 C ATOM 0 HA PRO A 38 7.595 0.666 -8.083 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.059 2.901 -6.708 1.00 0.00 H new ATOM 0 HB3 PRO A 38 7.327 2.759 -6.927 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.488 2.491 -4.464 1.00 0.00 H new ATOM 0 HG3 PRO A 38 7.027 1.620 -4.885 1.00 0.00 H new ATOM 0 HD2 PRO A 38 9.898 0.629 -4.928 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.462 -0.218 -4.389 1.00 0.00 H new ATOM 597 N VAL A 39 10.821 1.431 -7.916 1.00 0.00 N ATOM 598 CA VAL A 39 11.899 1.789 -8.838 1.00 0.00 C ATOM 599 C VAL A 39 12.047 0.795 -9.968 1.00 0.00 C ATOM 600 O VAL A 39 12.515 1.119 -11.059 1.00 0.00 O ATOM 601 CB VAL A 39 13.214 2.055 -8.141 1.00 0.00 C ATOM 602 CG1 VAL A 39 13.850 1.001 -7.308 1.00 0.00 C ATOM 603 CG2 VAL A 39 14.268 2.374 -9.179 1.00 0.00 C ATOM 0 H VAL A 39 11.094 1.317 -6.940 1.00 0.00 H new ATOM 0 HA VAL A 39 11.598 2.736 -9.287 1.00 0.00 H new ATOM 0 HB VAL A 39 12.915 2.846 -7.453 1.00 0.00 H new ATOM 0 HG11 VAL A 39 14.784 1.380 -6.893 1.00 0.00 H new ATOM 0 HG12 VAL A 39 13.178 0.724 -6.496 1.00 0.00 H new ATOM 0 HG13 VAL A 39 14.056 0.125 -7.924 1.00 0.00 H new ATOM 0 HG21 VAL A 39 15.220 2.567 -8.684 1.00 0.00 H new ATOM 0 HG22 VAL A 39 14.377 1.529 -9.858 1.00 0.00 H new ATOM 0 HG23 VAL A 39 13.967 3.256 -9.744 1.00 0.00 H new ATOM 613 N GLY A 40 11.631 -0.425 -9.674 1.00 0.00 N ATOM 614 CA GLY A 40 11.528 -1.471 -10.680 1.00 0.00 C ATOM 615 C GLY A 40 10.788 -0.918 -11.890 1.00 0.00 C ATOM 616 O GLY A 40 11.289 -0.966 -13.010 1.00 0.00 O ATOM 0 H GLY A 40 11.356 -0.719 -8.737 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.521 -1.815 -10.970 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.998 -2.333 -10.275 1.00 0.00 H new ATOM 620 N TYR A 41 9.596 -0.382 -11.648 1.00 0.00 N ATOM 621 CA TYR A 41 8.747 0.183 -12.672 1.00 0.00 C ATOM 622 C TYR A 41 9.286 1.529 -13.129 1.00 0.00 C ATOM 623 O TYR A 41 9.140 1.876 -14.292 1.00 0.00 O ATOM 624 CB TYR A 41 7.376 0.382 -12.039 1.00 0.00 C ATOM 625 CG TYR A 41 6.685 -0.911 -11.710 1.00 0.00 C ATOM 626 CD1 TYR A 41 6.047 -1.647 -12.717 1.00 0.00 C ATOM 627 CD2 TYR A 41 6.700 -1.376 -10.392 1.00 0.00 C ATOM 628 CE1 TYR A 41 5.438 -2.873 -12.410 1.00 0.00 C ATOM 629 CE2 TYR A 41 6.109 -2.609 -10.079 1.00 0.00 C ATOM 630 CZ TYR A 41 5.472 -3.362 -11.089 1.00 0.00 C ATOM 631 OH TYR A 41 4.889 -4.555 -10.791 1.00 0.00 O ATOM 0 H TYR A 41 9.192 -0.331 -10.713 1.00 0.00 H new ATOM 0 HA TYR A 41 8.703 -0.475 -13.540 1.00 0.00 H new ATOM 0 HB2 TYR A 41 7.485 0.971 -11.128 1.00 0.00 H new ATOM 0 HB3 TYR A 41 6.749 0.959 -12.719 1.00 0.00 H new ATOM 0 HD1 TYR A 41 6.024 -1.271 -13.729 1.00 0.00 H new ATOM 0 HD2 TYR A 41 7.166 -0.787 -9.616 1.00 0.00 H new ATOM 0 HE1 TYR A 41 4.944 -3.441 -13.185 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.141 -2.982 -9.066 1.00 0.00 H new ATOM 0 HH TYR A 41 5.182 -4.850 -9.903 1.00 0.00 H new ATOM 641 N SER A 42 9.906 2.284 -12.221 1.00 0.00 N ATOM 642 CA SER A 42 10.264 3.668 -12.489 1.00 0.00 C ATOM 643 C SER A 42 11.391 3.784 -13.509 1.00 0.00 C ATOM 644 O SER A 42 11.363 4.674 -14.358 1.00 0.00 O ATOM 645 CB SER A 42 10.716 4.340 -11.196 1.00 0.00 C ATOM 646 OG SER A 42 10.834 5.729 -11.406 1.00 0.00 O ATOM 0 H SER A 42 10.169 1.954 -11.292 1.00 0.00 H new ATOM 0 HA SER A 42 9.378 4.156 -12.896 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.998 4.141 -10.400 1.00 0.00 H new ATOM 0 HB3 SER A 42 11.672 3.927 -10.874 1.00 0.00 H new ATOM 0 HG SER A 42 11.699 6.039 -11.065 1.00 0.00 H new ATOM 652 N ASN A 43 12.381 2.892 -13.438 1.00 0.00 N ATOM 653 CA ASN A 43 13.505 2.927 -14.357 1.00 0.00 C ATOM 654 C ASN A 43 13.070 2.382 -15.716 1.00 0.00 C ATOM 655 O ASN A 43 13.351 2.984 -16.751 1.00 0.00 O ATOM 656 CB ASN A 43 14.649 2.108 -13.762 1.00 0.00 C ATOM 657 CG ASN A 43 15.290 2.814 -12.581 1.00 0.00 C ATOM 658 OD1 ASN A 43 14.761 3.790 -12.060 1.00 0.00 O ATOM 659 ND2 ASN A 43 16.445 2.323 -12.150 1.00 0.00 N ATOM 0 H ASN A 43 12.421 2.139 -12.751 1.00 0.00 H new ATOM 0 HA ASN A 43 13.851 3.950 -14.505 1.00 0.00 H new ATOM 0 HB2 ASN A 43 14.273 1.135 -13.444 1.00 0.00 H new ATOM 0 HB3 ASN A 43 15.402 1.924 -14.528 1.00 0.00 H new ATOM 0 HD21 ASN A 43 16.922 2.759 -11.361 1.00 0.00 H new ATOM 0 HD22 ASN A 43 16.856 1.509 -12.608 1.00 0.00 H new ATOM 666 N LYS A 44 12.371 1.240 -15.707 1.00 0.00 N ATOM 667 CA LYS A 44 11.764 0.656 -16.899 1.00 0.00 C ATOM 668 C LYS A 44 10.790 1.667 -17.507 1.00 0.00 C ATOM 669 O LYS A 44 10.572 1.649 -18.712 1.00 0.00 O ATOM 670 CB LYS A 44 11.060 -0.627 -16.459 1.00 0.00 C ATOM 671 CG LYS A 44 10.388 -1.345 -17.629 1.00 0.00 C ATOM 672 CD LYS A 44 9.810 -2.674 -17.140 1.00 0.00 C ATOM 673 CE LYS A 44 9.130 -3.398 -18.298 1.00 0.00 C ATOM 674 NZ LYS A 44 8.592 -4.701 -17.864 1.00 0.00 N ATOM 0 H LYS A 44 12.212 0.693 -14.861 1.00 0.00 H new ATOM 0 HA LYS A 44 12.502 0.416 -17.665 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.784 -1.295 -15.992 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.312 -0.388 -15.703 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.597 -0.723 -18.047 1.00 0.00 H new ATOM 0 HG3 LYS A 44 11.110 -1.520 -18.426 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.604 -3.296 -16.726 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.093 -2.496 -16.339 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.323 -2.781 -18.694 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.844 -3.547 -19.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.076 -5.143 -18.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.375 -5.320 -17.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.945 -4.560 -17.062 1.00 0.00 H new ATOM 688 N ALA A 45 10.201 2.548 -16.693 1.00 0.00 N ATOM 689 CA ALA A 45 9.240 3.533 -17.170 1.00 0.00 C ATOM 690 C ALA A 45 9.923 4.721 -17.840 1.00 0.00 C ATOM 691 O ALA A 45 9.565 5.066 -18.962 1.00 0.00 O ATOM 692 CB ALA A 45 8.386 4.043 -16.011 1.00 0.00 C ATOM 0 H ALA A 45 10.379 2.594 -15.690 1.00 0.00 H new ATOM 0 HA ALA A 45 8.613 3.034 -17.909 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.672 4.779 -16.381 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.847 3.209 -15.561 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.028 4.506 -15.262 1.00 0.00 H new ATOM 698 N MET A 46 10.900 5.354 -17.180 1.00 0.00 N ATOM 699 CA MET A 46 11.592 6.495 -17.771 1.00 0.00 C ATOM 700 C MET A 46 12.211 6.134 -19.117 1.00 0.00 C ATOM 701 O MET A 46 12.340 6.989 -19.993 1.00 0.00 O ATOM 702 CB MET A 46 12.665 7.002 -16.810 1.00 0.00 C ATOM 703 CG MET A 46 13.346 8.282 -17.293 1.00 0.00 C ATOM 704 SD MET A 46 12.385 9.824 -17.193 1.00 0.00 S ATOM 705 CE MET A 46 11.391 9.772 -18.702 1.00 0.00 C ATOM 0 H MET A 46 11.223 5.096 -16.248 1.00 0.00 H new ATOM 0 HA MET A 46 10.862 7.285 -17.945 1.00 0.00 H new ATOM 0 HB2 MET A 46 12.214 7.183 -15.834 1.00 0.00 H new ATOM 0 HB3 MET A 46 13.418 6.226 -16.674 1.00 0.00 H new ATOM 0 HG2 MET A 46 14.261 8.416 -16.716 1.00 0.00 H new ATOM 0 HG3 MET A 46 13.643 8.136 -18.332 1.00 0.00 H new ATOM 0 HE1 MET A 46 11.146 10.788 -19.012 1.00 0.00 H new ATOM 0 HE2 MET A 46 11.955 9.277 -19.493 1.00 0.00 H new ATOM 0 HE3 MET A 46 10.471 9.219 -18.513 1.00 0.00 H new ATOM 715 N ALA A 47 12.594 4.869 -19.289 1.00 0.00 N ATOM 716 CA ALA A 47 13.143 4.412 -20.554 1.00 0.00 C ATOM 717 C ALA A 47 12.056 4.333 -21.620 1.00 0.00 C ATOM 718 O ALA A 47 12.323 4.626 -22.783 1.00 0.00 O ATOM 719 CB ALA A 47 13.771 3.041 -20.325 1.00 0.00 C ATOM 0 H ALA A 47 12.533 4.150 -18.569 1.00 0.00 H new ATOM 0 HA ALA A 47 13.895 5.116 -20.910 1.00 0.00 H new ATOM 0 HB1 ALA A 47 14.192 2.673 -21.261 1.00 0.00 H new ATOM 0 HB2 ALA A 47 14.561 3.123 -19.579 1.00 0.00 H new ATOM 0 HB3 ALA A 47 13.009 2.346 -19.972 1.00 0.00 H new ATOM 725 N LEU A 48 10.829 3.947 -21.250 1.00 0.00 N ATOM 726 CA LEU A 48 9.726 3.863 -22.199 1.00 0.00 C ATOM 727 C LEU A 48 9.335 5.246 -22.710 1.00 0.00 C ATOM 728 O LEU A 48 8.743 5.344 -23.775 1.00 0.00 O ATOM 729 CB LEU A 48 8.518 3.182 -21.550 1.00 0.00 C ATOM 730 CG LEU A 48 8.763 1.697 -21.293 1.00 0.00 C ATOM 731 CD1 LEU A 48 7.636 1.157 -20.423 1.00 0.00 C ATOM 732 CD2 LEU A 48 8.816 0.886 -22.587 1.00 0.00 C ATOM 0 H LEU A 48 10.580 3.688 -20.295 1.00 0.00 H new ATOM 0 HA LEU A 48 10.057 3.266 -23.049 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.286 3.679 -20.608 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.647 3.299 -22.195 1.00 0.00 H new ATOM 0 HG LEU A 48 9.729 1.600 -20.798 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.800 0.096 -20.232 1.00 0.00 H new ATOM 0 HD12 LEU A 48 7.616 1.697 -19.476 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.684 1.290 -20.937 1.00 0.00 H new ATOM 0 HD21 LEU A 48 8.992 -0.164 -22.352 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.869 0.985 -23.117 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.625 1.257 -23.216 1.00 0.00 H new ATOM 744 N ILE A 49 9.654 6.316 -21.978 1.00 0.00 N ATOM 745 CA ILE A 49 9.434 7.669 -22.477 1.00 0.00 C ATOM 746 C ILE A 49 10.459 7.960 -23.561 1.00 0.00 C ATOM 747 O ILE A 49 10.108 8.414 -24.648 1.00 0.00 O ATOM 748 CB ILE A 49 9.605 8.673 -21.329 1.00 0.00 C ATOM 749 CG1 ILE A 49 8.338 8.833 -20.482 1.00 0.00 C ATOM 750 CG2 ILE A 49 9.995 10.049 -21.874 1.00 0.00 C ATOM 751 CD1 ILE A 49 8.147 7.674 -19.508 1.00 0.00 C ATOM 0 H ILE A 49 10.063 6.269 -21.045 1.00 0.00 H new ATOM 0 HA ILE A 49 8.426 7.757 -22.883 1.00 0.00 H new ATOM 0 HB ILE A 49 10.393 8.270 -20.693 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.391 9.769 -19.925 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.470 8.901 -21.138 1.00 0.00 H new ATOM 0 HG21 ILE A 49 10.112 10.748 -21.046 1.00 0.00 H new ATOM 0 HG22 ILE A 49 10.936 9.971 -22.419 1.00 0.00 H new ATOM 0 HG23 ILE A 49 9.215 10.409 -22.545 1.00 0.00 H new ATOM 0 HD11 ILE A 49 7.237 7.831 -18.930 1.00 0.00 H new ATOM 0 HD12 ILE A 49 8.067 6.740 -20.065 1.00 0.00 H new ATOM 0 HD13 ILE A 49 9.001 7.621 -18.833 1.00 0.00 H new ATOM 763 N LYS A 50 11.733 7.693 -23.260 1.00 0.00 N ATOM 764 CA LYS A 50 12.818 7.868 -24.201 1.00 0.00 C ATOM 765 C LYS A 50 12.706 6.926 -25.404 1.00 0.00 C ATOM 766 O LYS A 50 13.394 7.130 -26.403 1.00 0.00 O ATOM 767 CB LYS A 50 14.117 7.653 -23.439 1.00 0.00 C ATOM 768 CG LYS A 50 14.917 8.949 -23.410 1.00 0.00 C ATOM 769 CD LYS A 50 14.242 10.018 -22.552 1.00 0.00 C ATOM 770 CE LYS A 50 14.370 9.645 -21.075 1.00 0.00 C ATOM 771 NZ LYS A 50 14.225 10.830 -20.206 1.00 0.00 N ATOM 0 H LYS A 50 12.032 7.348 -22.348 1.00 0.00 H new ATOM 0 HA LYS A 50 12.783 8.873 -24.621 1.00 0.00 H new ATOM 0 HB2 LYS A 50 13.903 7.324 -22.422 1.00 0.00 H new ATOM 0 HB3 LYS A 50 14.701 6.864 -23.913 1.00 0.00 H new ATOM 0 HG2 LYS A 50 15.916 8.750 -23.022 1.00 0.00 H new ATOM 0 HG3 LYS A 50 15.038 9.323 -24.427 1.00 0.00 H new ATOM 0 HD2 LYS A 50 14.703 10.989 -22.734 1.00 0.00 H new ATOM 0 HD3 LYS A 50 13.191 10.108 -22.825 1.00 0.00 H new ATOM 0 HE2 LYS A 50 13.610 8.908 -20.817 1.00 0.00 H new ATOM 0 HE3 LYS A 50 15.339 9.179 -20.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 13.880 10.534 -19.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 15.147 11.299 -20.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 13.546 11.492 -20.632 1.00 0.00 H new ATOM 785 N LEU A 51 11.848 5.903 -25.318 1.00 0.00 N ATOM 786 CA LEU A 51 11.551 5.016 -26.432 1.00 0.00 C ATOM 787 C LEU A 51 10.245 5.472 -27.078 1.00 0.00 C ATOM 788 O LEU A 51 9.990 5.202 -28.250 1.00 0.00 O ATOM 789 CB LEU A 51 11.377 3.597 -25.892 1.00 0.00 C ATOM 790 CG LEU A 51 12.679 2.956 -25.407 1.00 0.00 C ATOM 791 CD1 LEU A 51 12.341 1.676 -24.650 1.00 0.00 C ATOM 792 CD2 LEU A 51 13.593 2.590 -26.574 1.00 0.00 C ATOM 0 H LEU A 51 11.340 5.672 -24.464 1.00 0.00 H new ATOM 0 HA LEU A 51 12.357 5.037 -27.165 1.00 0.00 H new ATOM 0 HB2 LEU A 51 10.664 3.617 -25.068 1.00 0.00 H new ATOM 0 HB3 LEU A 51 10.944 2.972 -26.673 1.00 0.00 H new ATOM 0 HG LEU A 51 13.195 3.675 -24.770 1.00 0.00 H new ATOM 0 HD11 LEU A 51 13.260 1.208 -24.298 1.00 0.00 H new ATOM 0 HD12 LEU A 51 11.706 1.915 -23.797 1.00 0.00 H new ATOM 0 HD13 LEU A 51 11.815 0.989 -25.313 1.00 0.00 H new ATOM 0 HD21 LEU A 51 14.508 2.137 -26.192 1.00 0.00 H new ATOM 0 HD22 LEU A 51 13.083 1.882 -27.227 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.841 3.489 -27.138 1.00 0.00 H new ATOM 804 N GLY A 52 9.420 6.172 -26.291 1.00 0.00 N ATOM 805 CA GLY A 52 8.168 6.769 -26.710 1.00 0.00 C ATOM 806 C GLY A 52 6.991 5.804 -26.573 1.00 0.00 C ATOM 807 O GLY A 52 5.909 6.058 -27.097 1.00 0.00 O ATOM 0 H GLY A 52 9.624 6.339 -25.306 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.975 7.661 -26.113 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.251 7.092 -27.748 1.00 0.00 H new ATOM 811 N GLU A 53 7.209 4.696 -25.862 1.00 0.00 N ATOM 812 CA GLU A 53 6.179 3.734 -25.497 1.00 0.00 C ATOM 813 C GLU A 53 5.485 4.203 -24.237 1.00 0.00 C ATOM 814 O GLU A 53 5.244 3.446 -23.301 1.00 0.00 O ATOM 815 CB GLU A 53 6.786 2.339 -25.336 1.00 0.00 C ATOM 816 CG GLU A 53 7.835 2.053 -26.410 1.00 0.00 C ATOM 817 CD GLU A 53 8.122 0.558 -26.529 1.00 0.00 C ATOM 818 OE1 GLU A 53 7.285 -0.143 -27.141 1.00 0.00 O ATOM 819 OE2 GLU A 53 9.172 0.125 -26.008 1.00 0.00 O ATOM 0 H GLU A 53 8.134 4.440 -25.517 1.00 0.00 H new ATOM 0 HA GLU A 53 5.434 3.666 -26.290 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.242 2.252 -24.350 1.00 0.00 H new ATOM 0 HB3 GLU A 53 5.996 1.590 -25.390 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.488 2.435 -27.370 1.00 0.00 H new ATOM 0 HG3 GLU A 53 8.757 2.583 -26.170 1.00 0.00 H new ATOM 826 N TYR A 54 5.175 5.491 -24.263 1.00 0.00 N ATOM 827 CA TYR A 54 4.440 6.176 -23.238 1.00 0.00 C ATOM 828 C TYR A 54 3.236 5.361 -22.781 1.00 0.00 C ATOM 829 O TYR A 54 2.917 5.347 -21.596 1.00 0.00 O ATOM 830 CB TYR A 54 3.932 7.454 -23.871 1.00 0.00 C ATOM 831 CG TYR A 54 4.963 8.346 -24.521 1.00 0.00 C ATOM 832 CD1 TYR A 54 6.005 8.897 -23.770 1.00 0.00 C ATOM 833 CD2 TYR A 54 4.868 8.621 -25.892 1.00 0.00 C ATOM 834 CE1 TYR A 54 6.942 9.740 -24.384 1.00 0.00 C ATOM 835 CE2 TYR A 54 5.815 9.440 -26.521 1.00 0.00 C ATOM 836 CZ TYR A 54 6.857 10.011 -25.764 1.00 0.00 C ATOM 837 OH TYR A 54 7.774 10.822 -26.365 1.00 0.00 O ATOM 0 H TYR A 54 5.445 6.102 -25.034 1.00 0.00 H new ATOM 0 HA TYR A 54 5.078 6.351 -22.372 1.00 0.00 H new ATOM 0 HB2 TYR A 54 3.189 7.189 -24.623 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.417 8.032 -23.104 1.00 0.00 H new ATOM 0 HD1 TYR A 54 6.088 8.673 -22.717 1.00 0.00 H new ATOM 0 HD2 TYR A 54 4.058 8.198 -26.468 1.00 0.00 H new ATOM 0 HE1 TYR A 54 7.732 10.184 -23.797 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.746 9.633 -27.581 1.00 0.00 H new ATOM 0 HH TYR A 54 7.566 10.900 -27.320 1.00 0.00 H new ATOM 847 N THR A 55 2.559 4.676 -23.709 1.00 0.00 N ATOM 848 CA THR A 55 1.362 3.920 -23.376 1.00 0.00 C ATOM 849 C THR A 55 1.649 2.941 -22.252 1.00 0.00 C ATOM 850 O THR A 55 0.828 2.749 -21.363 1.00 0.00 O ATOM 851 CB THR A 55 0.872 3.126 -24.585 1.00 0.00 C ATOM 852 OG1 THR A 55 1.110 3.807 -25.795 1.00 0.00 O ATOM 853 CG2 THR A 55 -0.621 2.884 -24.413 1.00 0.00 C ATOM 0 H THR A 55 2.824 4.634 -24.693 1.00 0.00 H new ATOM 0 HA THR A 55 0.598 4.633 -23.066 1.00 0.00 H new ATOM 0 HB THR A 55 1.419 2.185 -24.636 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.784 3.266 -26.544 1.00 0.00 H new ATOM 0 HG21 THR A 55 -0.998 2.318 -25.264 1.00 0.00 H new ATOM 0 HG22 THR A 55 -0.795 2.320 -23.496 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.140 3.841 -24.355 1.00 0.00 H new ATOM 861 N GLN A 56 2.831 2.325 -22.311 1.00 0.00 N ATOM 862 CA GLN A 56 3.279 1.362 -21.328 1.00 0.00 C ATOM 863 C GLN A 56 3.859 2.077 -20.122 1.00 0.00 C ATOM 864 O GLN A 56 3.659 1.652 -18.986 1.00 0.00 O ATOM 865 CB GLN A 56 4.344 0.488 -21.988 1.00 0.00 C ATOM 866 CG GLN A 56 3.824 -0.152 -23.276 1.00 0.00 C ATOM 867 CD GLN A 56 2.530 -0.914 -23.046 1.00 0.00 C ATOM 868 OE1 GLN A 56 2.535 -2.080 -22.664 1.00 0.00 O ATOM 869 NE2 GLN A 56 1.405 -0.247 -23.280 1.00 0.00 N ATOM 0 H GLN A 56 3.507 2.490 -23.057 1.00 0.00 H new ATOM 0 HA GLN A 56 2.445 0.750 -20.985 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.225 1.091 -22.210 1.00 0.00 H new ATOM 0 HB3 GLN A 56 4.658 -0.292 -21.294 1.00 0.00 H new ATOM 0 HG2 GLN A 56 3.661 0.622 -24.026 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.579 -0.830 -23.675 1.00 0.00 H new ATOM 0 HE21 GLN A 56 1.443 0.722 -23.597 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.503 -0.704 -23.143 1.00 0.00 H new ATOM 878 N ALA A 57 4.578 3.171 -20.374 1.00 0.00 N ATOM 879 CA ALA A 57 5.171 3.995 -19.340 1.00 0.00 C ATOM 880 C ALA A 57 4.139 4.463 -18.319 1.00 0.00 C ATOM 881 O ALA A 57 4.410 4.469 -17.120 1.00 0.00 O ATOM 882 CB ALA A 57 5.793 5.207 -20.024 1.00 0.00 C ATOM 0 H ALA A 57 4.763 3.508 -21.319 1.00 0.00 H new ATOM 0 HA ALA A 57 5.915 3.410 -18.799 1.00 0.00 H new ATOM 0 HB1 ALA A 57 6.251 5.853 -19.275 1.00 0.00 H new ATOM 0 HB2 ALA A 57 6.554 4.875 -20.731 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.020 5.761 -20.557 1.00 0.00 H new ATOM 888 N ILE A 58 2.956 4.851 -18.799 1.00 0.00 N ATOM 889 CA ILE A 58 1.870 5.321 -17.949 1.00 0.00 C ATOM 890 C ILE A 58 1.464 4.205 -16.994 1.00 0.00 C ATOM 891 O ILE A 58 1.149 4.476 -15.837 1.00 0.00 O ATOM 892 CB ILE A 58 0.696 5.726 -18.842 1.00 0.00 C ATOM 893 CG1 ILE A 58 1.103 6.875 -19.766 1.00 0.00 C ATOM 894 CG2 ILE A 58 -0.524 6.199 -18.050 1.00 0.00 C ATOM 895 CD1 ILE A 58 0.262 6.823 -21.040 1.00 0.00 C ATOM 0 H ILE A 58 2.727 4.847 -19.793 1.00 0.00 H new ATOM 0 HA ILE A 58 2.185 6.182 -17.360 1.00 0.00 H new ATOM 0 HB ILE A 58 0.430 4.830 -19.402 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.960 7.830 -19.261 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.162 6.800 -20.013 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.322 6.472 -18.740 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.867 5.397 -17.397 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.253 7.066 -17.448 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.550 7.641 -21.700 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.428 5.872 -21.547 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.793 6.918 -20.784 1.00 0.00 H new ATOM 907 N GLN A 59 1.467 2.955 -17.471 1.00 0.00 N ATOM 908 CA GLN A 59 1.093 1.823 -16.657 1.00 0.00 C ATOM 909 C GLN A 59 2.164 1.507 -15.624 1.00 0.00 C ATOM 910 O GLN A 59 1.841 1.138 -14.499 1.00 0.00 O ATOM 911 CB GLN A 59 0.902 0.612 -17.558 1.00 0.00 C ATOM 912 CG GLN A 59 -0.101 0.849 -18.676 1.00 0.00 C ATOM 913 CD GLN A 59 -1.330 1.583 -18.179 1.00 0.00 C ATOM 914 OE1 GLN A 59 -2.012 1.136 -17.258 1.00 0.00 O ATOM 915 NE2 GLN A 59 -1.613 2.726 -18.793 1.00 0.00 N ATOM 0 H GLN A 59 1.729 2.714 -18.427 1.00 0.00 H new ATOM 0 HA GLN A 59 0.169 2.065 -16.131 1.00 0.00 H new ATOM 0 HB2 GLN A 59 1.863 0.336 -17.993 1.00 0.00 H new ATOM 0 HB3 GLN A 59 0.571 -0.233 -16.955 1.00 0.00 H new ATOM 0 HG2 GLN A 59 0.370 1.426 -19.472 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -0.398 -0.107 -19.108 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -1.018 3.058 -19.552 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -2.425 3.272 -18.505 1.00 0.00 H new ATOM 924 N MET A 60 3.440 1.653 -15.998 1.00 0.00 N ATOM 925 CA MET A 60 4.548 1.372 -15.089 1.00 0.00 C ATOM 926 C MET A 60 4.508 2.325 -13.904 1.00 0.00 C ATOM 927 O MET A 60 4.638 1.906 -12.755 1.00 0.00 O ATOM 928 CB MET A 60 5.890 1.562 -15.801 1.00 0.00 C ATOM 929 CG MET A 60 6.151 0.637 -16.988 1.00 0.00 C ATOM 930 SD MET A 60 5.972 -1.139 -16.678 1.00 0.00 S ATOM 931 CE MET A 60 4.238 -1.309 -17.169 1.00 0.00 C ATOM 0 H MET A 60 3.727 1.965 -16.926 1.00 0.00 H new ATOM 0 HA MET A 60 4.448 0.340 -14.752 1.00 0.00 H new ATOM 0 HB2 MET A 60 5.953 2.593 -16.148 1.00 0.00 H new ATOM 0 HB3 MET A 60 6.689 1.422 -15.073 1.00 0.00 H new ATOM 0 HG2 MET A 60 5.470 0.914 -17.793 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.163 0.821 -17.349 1.00 0.00 H new ATOM 0 HE1 MET A 60 4.038 -2.344 -17.445 1.00 0.00 H new ATOM 0 HE2 MET A 60 3.595 -1.024 -16.337 1.00 0.00 H new ATOM 0 HE3 MET A 60 4.036 -0.661 -18.022 1.00 0.00 H new ATOM 941 N CYS A 61 4.322 3.616 -14.177 1.00 0.00 N ATOM 942 CA CYS A 61 4.412 4.628 -13.143 1.00 0.00 C ATOM 943 C CYS A 61 3.355 4.393 -12.067 1.00 0.00 C ATOM 944 O CYS A 61 3.667 4.209 -10.893 1.00 0.00 O ATOM 945 CB CYS A 61 4.245 5.994 -13.797 1.00 0.00 C ATOM 946 SG CYS A 61 5.655 6.322 -14.883 1.00 0.00 S ATOM 0 H CYS A 61 4.109 3.978 -15.106 1.00 0.00 H new ATOM 0 HA CYS A 61 5.383 4.578 -12.651 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.318 6.024 -14.369 1.00 0.00 H new ATOM 0 HB3 CYS A 61 4.173 6.768 -13.033 1.00 0.00 H new ATOM 0 HG CYS A 61 5.490 5.695 -16.010 1.00 0.00 H new ATOM 952 N GLN A 62 2.085 4.393 -12.464 1.00 0.00 N ATOM 953 CA GLN A 62 0.992 4.131 -11.539 1.00 0.00 C ATOM 954 C GLN A 62 1.102 2.775 -10.823 1.00 0.00 C ATOM 955 O GLN A 62 0.600 2.638 -9.709 1.00 0.00 O ATOM 956 CB GLN A 62 -0.348 4.297 -12.253 1.00 0.00 C ATOM 957 CG GLN A 62 -0.497 3.427 -13.498 1.00 0.00 C ATOM 958 CD GLN A 62 -1.534 2.335 -13.284 1.00 0.00 C ATOM 959 OE1 GLN A 62 -2.689 2.467 -13.677 1.00 0.00 O ATOM 960 NE2 GLN A 62 -1.127 1.242 -12.649 1.00 0.00 N ATOM 0 H GLN A 62 1.790 4.572 -13.424 1.00 0.00 H new ATOM 0 HA GLN A 62 1.061 4.872 -10.743 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.152 4.058 -11.557 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.471 5.343 -12.535 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.788 4.047 -14.346 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.464 2.976 -13.747 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -0.159 1.165 -12.336 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.782 0.480 -12.475 1.00 0.00 H new ATOM 969 N GLN A 63 1.746 1.767 -11.427 1.00 0.00 N ATOM 970 CA GLN A 63 2.039 0.511 -10.748 1.00 0.00 C ATOM 971 C GLN A 63 3.022 0.733 -9.611 1.00 0.00 C ATOM 972 O GLN A 63 2.830 0.191 -8.533 1.00 0.00 O ATOM 973 CB GLN A 63 2.682 -0.453 -11.746 1.00 0.00 C ATOM 974 CG GLN A 63 1.884 -1.738 -11.941 1.00 0.00 C ATOM 975 CD GLN A 63 0.470 -1.489 -12.451 1.00 0.00 C ATOM 976 OE1 GLN A 63 -0.481 -1.442 -11.677 1.00 0.00 O ATOM 977 NE2 GLN A 63 0.313 -1.329 -13.760 1.00 0.00 N ATOM 0 H GLN A 63 2.074 1.804 -12.392 1.00 0.00 H new ATOM 0 HA GLN A 63 1.109 0.106 -10.351 1.00 0.00 H new ATOM 0 HB2 GLN A 63 2.790 0.049 -12.707 1.00 0.00 H new ATOM 0 HB3 GLN A 63 3.685 -0.705 -11.403 1.00 0.00 H new ATOM 0 HG2 GLN A 63 2.410 -2.383 -12.645 1.00 0.00 H new ATOM 0 HG3 GLN A 63 1.833 -2.275 -10.994 1.00 0.00 H new ATOM 0 HE21 GLN A 63 1.122 -1.373 -14.380 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -0.616 -1.162 -14.146 1.00 0.00 H new ATOM 986 N GLY A 64 4.074 1.524 -9.828 1.00 0.00 N ATOM 987 CA GLY A 64 5.060 1.753 -8.793 1.00 0.00 C ATOM 988 C GLY A 64 4.405 2.237 -7.495 1.00 0.00 C ATOM 989 O GLY A 64 4.856 1.890 -6.407 1.00 0.00 O ATOM 0 H GLY A 64 4.257 2.009 -10.706 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.611 0.832 -8.603 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.784 2.493 -9.135 1.00 0.00 H new ATOM 993 N LEU A 65 3.339 3.033 -7.610 1.00 0.00 N ATOM 994 CA LEU A 65 2.631 3.616 -6.475 1.00 0.00 C ATOM 995 C LEU A 65 1.848 2.586 -5.661 1.00 0.00 C ATOM 996 O LEU A 65 1.233 2.939 -4.657 1.00 0.00 O ATOM 997 CB LEU A 65 1.664 4.687 -6.986 1.00 0.00 C ATOM 998 CG LEU A 65 2.422 5.777 -7.740 1.00 0.00 C ATOM 999 CD1 LEU A 65 1.409 6.634 -8.489 1.00 0.00 C ATOM 1000 CD2 LEU A 65 3.245 6.648 -6.785 1.00 0.00 C ATOM 0 H LEU A 65 2.939 3.293 -8.512 1.00 0.00 H new ATOM 0 HA LEU A 65 3.384 4.043 -5.813 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.922 4.232 -7.642 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.122 5.126 -6.148 1.00 0.00 H new ATOM 0 HG LEU A 65 3.118 5.312 -8.438 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.931 7.420 -9.035 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.854 6.011 -9.191 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.717 7.084 -7.778 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.772 7.414 -7.354 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.581 7.124 -6.064 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.968 6.026 -6.257 1.00 0.00 H new ATOM 1012 N ARG A 66 1.864 1.318 -6.078 1.00 0.00 N ATOM 1013 CA ARG A 66 1.171 0.241 -5.398 1.00 0.00 C ATOM 1014 C ARG A 66 2.038 -0.240 -4.252 1.00 0.00 C ATOM 1015 O ARG A 66 1.580 -0.922 -3.335 1.00 0.00 O ATOM 1016 CB ARG A 66 1.031 -0.879 -6.424 1.00 0.00 C ATOM 1017 CG ARG A 66 0.110 -0.429 -7.546 1.00 0.00 C ATOM 1018 CD ARG A 66 0.008 -1.544 -8.579 1.00 0.00 C ATOM 1019 NE ARG A 66 -0.645 -2.737 -8.024 1.00 0.00 N ATOM 1020 CZ ARG A 66 -1.372 -3.607 -8.730 1.00 0.00 C ATOM 1021 NH1 ARG A 66 -1.562 -3.440 -10.034 1.00 0.00 N ATOM 1022 NH2 ARG A 66 -1.919 -4.659 -8.125 1.00 0.00 N ATOM 0 H ARG A 66 2.369 1.014 -6.911 1.00 0.00 H new ATOM 0 HA ARG A 66 0.202 0.553 -5.008 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.009 -1.142 -6.826 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.631 -1.774 -5.948 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -0.877 -0.191 -7.150 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.496 0.479 -8.009 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -0.554 -1.190 -9.443 1.00 0.00 H new ATOM 0 HD3 ARG A 66 1.005 -1.806 -8.933 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.535 -2.914 -7.026 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.150 -2.638 -10.511 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -2.120 -4.114 -10.558 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.783 -4.800 -7.124 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.475 -5.325 -8.662 1.00 0.00 H new ATOM 1036 N TYR A 67 3.311 0.138 -4.341 1.00 0.00 N ATOM 1037 CA TYR A 67 4.361 -0.327 -3.464 1.00 0.00 C ATOM 1038 C TYR A 67 5.014 0.766 -2.623 1.00 0.00 C ATOM 1039 O TYR A 67 5.683 0.447 -1.641 1.00 0.00 O ATOM 1040 CB TYR A 67 5.379 -0.960 -4.398 1.00 0.00 C ATOM 1041 CG TYR A 67 4.717 -1.825 -5.439 1.00 0.00 C ATOM 1042 CD1 TYR A 67 4.040 -2.988 -5.053 1.00 0.00 C ATOM 1043 CD2 TYR A 67 4.754 -1.434 -6.783 1.00 0.00 C ATOM 1044 CE1 TYR A 67 3.419 -3.792 -6.020 1.00 0.00 C ATOM 1045 CE2 TYR A 67 4.080 -2.198 -7.743 1.00 0.00 C ATOM 1046 CZ TYR A 67 3.424 -3.389 -7.371 1.00 0.00 C ATOM 1047 OH TYR A 67 2.793 -4.152 -8.311 1.00 0.00 O ATOM 0 H TYR A 67 3.641 0.795 -5.048 1.00 0.00 H new ATOM 0 HA TYR A 67 3.951 -1.014 -2.723 1.00 0.00 H new ATOM 0 HB2 TYR A 67 5.958 -0.178 -4.889 1.00 0.00 H new ATOM 0 HB3 TYR A 67 6.081 -1.560 -3.819 1.00 0.00 H new ATOM 0 HD1 TYR A 67 3.996 -3.266 -4.010 1.00 0.00 H new ATOM 0 HD2 TYR A 67 5.299 -0.549 -7.077 1.00 0.00 H new ATOM 0 HE1 TYR A 67 2.939 -4.715 -5.731 1.00 0.00 H new ATOM 0 HE2 TYR A 67 4.063 -1.874 -8.773 1.00 0.00 H new ATOM 0 HH TYR A 67 3.398 -4.307 -9.066 1.00 0.00 H new ATOM 1057 N THR A 68 4.838 2.044 -2.980 1.00 0.00 N ATOM 1058 CA THR A 68 5.450 3.127 -2.220 1.00 0.00 C ATOM 1059 C THR A 68 4.778 3.237 -0.853 1.00 0.00 C ATOM 1060 O THR A 68 3.554 3.337 -0.769 1.00 0.00 O ATOM 1061 CB THR A 68 5.345 4.445 -2.990 1.00 0.00 C ATOM 1062 OG1 THR A 68 3.993 4.769 -3.221 1.00 0.00 O ATOM 1063 CG2 THR A 68 6.049 4.344 -4.339 1.00 0.00 C ATOM 0 H THR A 68 4.283 2.346 -3.781 1.00 0.00 H new ATOM 0 HA THR A 68 6.508 2.910 -2.072 1.00 0.00 H new ATOM 0 HB THR A 68 5.820 5.218 -2.386 1.00 0.00 H new ATOM 0 HG1 THR A 68 3.434 4.349 -2.534 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.961 5.293 -4.868 1.00 0.00 H new ATOM 0 HG22 THR A 68 7.103 4.112 -4.183 1.00 0.00 H new ATOM 0 HG23 THR A 68 5.588 3.554 -4.932 1.00 0.00 H new ATOM 1071 N SER A 69 5.572 3.219 0.222 1.00 0.00 N ATOM 1072 CA SER A 69 5.042 3.259 1.581 1.00 0.00 C ATOM 1073 C SER A 69 6.080 3.701 2.607 1.00 0.00 C ATOM 1074 O SER A 69 5.756 3.879 3.782 1.00 0.00 O ATOM 1075 CB SER A 69 4.582 1.851 1.956 1.00 0.00 C ATOM 1076 OG SER A 69 5.670 0.951 1.908 1.00 0.00 O ATOM 0 H SER A 69 6.590 3.177 0.172 1.00 0.00 H new ATOM 0 HA SER A 69 4.227 3.982 1.595 1.00 0.00 H new ATOM 0 HB2 SER A 69 4.150 1.857 2.957 1.00 0.00 H new ATOM 0 HB3 SER A 69 3.799 1.523 1.272 1.00 0.00 H new ATOM 0 HG SER A 69 5.363 0.053 2.152 1.00 0.00 H new ATOM 1082 N THR A 70 7.322 3.876 2.159 1.00 0.00 N ATOM 1083 CA THR A 70 8.452 4.163 3.029 1.00 0.00 C ATOM 1084 C THR A 70 9.458 5.069 2.318 1.00 0.00 C ATOM 1085 O THR A 70 9.392 5.248 1.103 1.00 0.00 O ATOM 1086 CB THR A 70 9.076 2.836 3.481 1.00 0.00 C ATOM 1087 OG1 THR A 70 10.364 3.040 4.022 1.00 0.00 O ATOM 1088 CG2 THR A 70 9.167 1.848 2.317 1.00 0.00 C ATOM 0 H THR A 70 7.570 3.821 1.171 1.00 0.00 H new ATOM 0 HA THR A 70 8.120 4.704 3.915 1.00 0.00 H new ATOM 0 HB THR A 70 8.428 2.419 4.252 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.740 2.180 4.304 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.613 0.916 2.665 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.168 1.650 1.929 1.00 0.00 H new ATOM 0 HG23 THR A 70 9.785 2.273 1.526 1.00 0.00 H new ATOM 1096 N ALA A 71 10.396 5.644 3.079 1.00 0.00 N ATOM 1097 CA ALA A 71 11.346 6.627 2.580 1.00 0.00 C ATOM 1098 C ALA A 71 12.384 6.041 1.621 1.00 0.00 C ATOM 1099 O ALA A 71 13.172 6.790 1.048 1.00 0.00 O ATOM 1100 CB ALA A 71 12.031 7.304 3.763 1.00 0.00 C ATOM 0 H ALA A 71 10.513 5.433 4.070 1.00 0.00 H new ATOM 0 HA ALA A 71 10.783 7.356 1.997 1.00 0.00 H new ATOM 0 HB1 ALA A 71 12.745 8.042 3.397 1.00 0.00 H new ATOM 0 HB2 ALA A 71 11.283 7.799 4.382 1.00 0.00 H new ATOM 0 HB3 ALA A 71 12.556 6.555 4.357 1.00 0.00 H new ATOM 1106 N GLU A 72 12.407 4.721 1.423 1.00 0.00 N ATOM 1107 CA GLU A 72 13.242 4.123 0.392 1.00 0.00 C ATOM 1108 C GLU A 72 12.544 4.205 -0.960 1.00 0.00 C ATOM 1109 O GLU A 72 13.164 3.940 -1.989 1.00 0.00 O ATOM 1110 CB GLU A 72 13.529 2.664 0.734 1.00 0.00 C ATOM 1111 CG GLU A 72 12.253 1.855 0.931 1.00 0.00 C ATOM 1112 CD GLU A 72 12.570 0.437 1.401 1.00 0.00 C ATOM 1113 OE1 GLU A 72 12.745 -0.439 0.524 1.00 0.00 O ATOM 1114 OE2 GLU A 72 12.637 0.233 2.636 1.00 0.00 O ATOM 0 H GLU A 72 11.858 4.053 1.963 1.00 0.00 H new ATOM 0 HA GLU A 72 14.183 4.671 0.341 1.00 0.00 H new ATOM 0 HB2 GLU A 72 14.121 2.216 -0.064 1.00 0.00 H new ATOM 0 HB3 GLU A 72 14.130 2.617 1.642 1.00 0.00 H new ATOM 0 HG2 GLU A 72 11.614 2.350 1.662 1.00 0.00 H new ATOM 0 HG3 GLU A 72 11.695 1.815 -0.005 1.00 0.00 H new ATOM 1121 N HIS A 73 11.258 4.568 -0.956 1.00 0.00 N ATOM 1122 CA HIS A 73 10.436 4.603 -2.152 1.00 0.00 C ATOM 1123 C HIS A 73 9.944 6.016 -2.457 1.00 0.00 C ATOM 1124 O HIS A 73 9.349 6.245 -3.507 1.00 0.00 O ATOM 1125 CB HIS A 73 9.248 3.660 -1.982 1.00 0.00 C ATOM 1126 CG HIS A 73 9.594 2.192 -1.961 1.00 0.00 C ATOM 1127 ND1 HIS A 73 8.687 1.172 -1.674 1.00 0.00 N ATOM 1128 CD2 HIS A 73 10.820 1.644 -2.217 1.00 0.00 C ATOM 1129 CE1 HIS A 73 9.385 0.031 -1.767 1.00 0.00 C ATOM 1130 NE2 HIS A 73 10.667 0.281 -2.090 1.00 0.00 N ATOM 0 H HIS A 73 10.761 4.847 -0.110 1.00 0.00 H new ATOM 0 HA HIS A 73 11.048 4.279 -2.994 1.00 0.00 H new ATOM 0 HB2 HIS A 73 8.736 3.910 -1.053 1.00 0.00 H new ATOM 0 HB3 HIS A 73 8.543 3.840 -2.793 1.00 0.00 H new ATOM 0 HD1 HIS A 73 7.699 1.273 -1.442 1.00 0.00 H new ATOM 0 HD2 HIS A 73 11.727 2.174 -2.468 1.00 0.00 H new ATOM 0 HE1 HIS A 73 8.974 -0.955 -1.605 1.00 0.00 H new ATOM 1138 N VAL A 74 10.185 6.970 -1.552 1.00 0.00 N ATOM 1139 CA VAL A 74 9.774 8.358 -1.749 1.00 0.00 C ATOM 1140 C VAL A 74 10.394 8.942 -3.012 1.00 0.00 C ATOM 1141 O VAL A 74 9.806 9.796 -3.671 1.00 0.00 O ATOM 1142 CB VAL A 74 10.198 9.178 -0.524 1.00 0.00 C ATOM 1143 CG1 VAL A 74 11.718 9.269 -0.395 1.00 0.00 C ATOM 1144 CG2 VAL A 74 9.667 10.599 -0.636 1.00 0.00 C ATOM 0 H VAL A 74 10.667 6.801 -0.669 1.00 0.00 H new ATOM 0 HA VAL A 74 8.691 8.394 -1.866 1.00 0.00 H new ATOM 0 HB VAL A 74 9.789 8.669 0.349 1.00 0.00 H new ATOM 0 HG11 VAL A 74 11.974 9.858 0.486 1.00 0.00 H new ATOM 0 HG12 VAL A 74 12.135 8.267 -0.295 1.00 0.00 H new ATOM 0 HG13 VAL A 74 12.131 9.747 -1.284 1.00 0.00 H new ATOM 0 HG21 VAL A 74 9.974 11.172 0.239 1.00 0.00 H new ATOM 0 HG22 VAL A 74 10.067 11.067 -1.535 1.00 0.00 H new ATOM 0 HG23 VAL A 74 8.579 10.577 -0.692 1.00 0.00 H new ATOM 1154 N ALA A 75 11.594 8.462 -3.341 1.00 0.00 N ATOM 1155 CA ALA A 75 12.369 8.905 -4.484 1.00 0.00 C ATOM 1156 C ALA A 75 11.659 8.617 -5.789 1.00 0.00 C ATOM 1157 O ALA A 75 11.847 9.309 -6.787 1.00 0.00 O ATOM 1158 CB ALA A 75 13.646 8.082 -4.515 1.00 0.00 C ATOM 0 H ALA A 75 12.060 7.734 -2.800 1.00 0.00 H new ATOM 0 HA ALA A 75 12.538 9.977 -4.386 1.00 0.00 H new ATOM 0 HB1 ALA A 75 14.256 8.389 -5.365 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.204 8.241 -3.592 1.00 0.00 H new ATOM 0 HB3 ALA A 75 13.396 7.025 -4.611 1.00 0.00 H new ATOM 1164 N ILE A 76 10.843 7.571 -5.751 1.00 0.00 N ATOM 1165 CA ILE A 76 10.244 6.994 -6.928 1.00 0.00 C ATOM 1166 C ILE A 76 8.784 7.379 -6.972 1.00 0.00 C ATOM 1167 O ILE A 76 8.203 7.582 -8.037 1.00 0.00 O ATOM 1168 CB ILE A 76 10.401 5.491 -6.803 1.00 0.00 C ATOM 1169 CG1 ILE A 76 11.875 5.138 -6.658 1.00 0.00 C ATOM 1170 CG2 ILE A 76 9.840 4.871 -8.064 1.00 0.00 C ATOM 1171 CD1 ILE A 76 12.696 5.318 -7.936 1.00 0.00 C ATOM 0 H ILE A 76 10.581 7.100 -4.885 1.00 0.00 H new ATOM 0 HA ILE A 76 10.715 7.348 -7.845 1.00 0.00 H new ATOM 0 HB ILE A 76 9.873 5.117 -5.926 1.00 0.00 H new ATOM 0 HG12 ILE A 76 12.309 5.756 -5.872 1.00 0.00 H new ATOM 0 HG13 ILE A 76 11.957 4.102 -6.330 1.00 0.00 H new ATOM 0 HG21 ILE A 76 9.936 3.787 -8.010 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.788 5.138 -8.164 1.00 0.00 H new ATOM 0 HG23 ILE A 76 10.391 5.242 -8.928 1.00 0.00 H new ATOM 0 HD11 ILE A 76 13.733 5.045 -7.744 1.00 0.00 H new ATOM 0 HD12 ILE A 76 12.292 4.679 -8.721 1.00 0.00 H new ATOM 0 HD13 ILE A 76 12.649 6.359 -8.255 1.00 0.00 H new ATOM 1183 N ARG A 77 8.201 7.479 -5.780 1.00 0.00 N ATOM 1184 CA ARG A 77 6.859 8.008 -5.607 1.00 0.00 C ATOM 1185 C ARG A 77 6.781 9.414 -6.192 1.00 0.00 C ATOM 1186 O ARG A 77 5.699 9.919 -6.484 1.00 0.00 O ATOM 1187 CB ARG A 77 6.529 7.992 -4.112 1.00 0.00 C ATOM 1188 CG ARG A 77 5.125 8.528 -3.840 1.00 0.00 C ATOM 1189 CD ARG A 77 5.192 9.968 -3.327 1.00 0.00 C ATOM 1190 NE ARG A 77 3.865 10.459 -2.945 1.00 0.00 N ATOM 1191 CZ ARG A 77 2.944 10.909 -3.803 1.00 0.00 C ATOM 1192 NH1 ARG A 77 3.188 10.942 -5.112 1.00 0.00 N ATOM 1193 NH2 ARG A 77 1.769 11.332 -3.352 1.00 0.00 N ATOM 0 H ARG A 77 8.649 7.194 -4.909 1.00 0.00 H new ATOM 0 HA ARG A 77 6.126 7.398 -6.135 1.00 0.00 H new ATOM 0 HB2 ARG A 77 6.610 6.974 -3.732 1.00 0.00 H new ATOM 0 HB3 ARG A 77 7.260 8.593 -3.571 1.00 0.00 H new ATOM 0 HG2 ARG A 77 4.531 8.488 -4.753 1.00 0.00 H new ATOM 0 HG3 ARG A 77 4.624 7.897 -3.106 1.00 0.00 H new ATOM 0 HD2 ARG A 77 5.862 10.020 -2.469 1.00 0.00 H new ATOM 0 HD3 ARG A 77 5.612 10.612 -4.099 1.00 0.00 H new ATOM 0 HE ARG A 77 3.627 10.457 -1.953 1.00 0.00 H new ATOM 0 HH11 ARG A 77 4.087 10.621 -5.471 1.00 0.00 H new ATOM 0 HH12 ARG A 77 2.476 11.288 -5.755 1.00 0.00 H new ATOM 0 HH21 ARG A 77 1.570 11.313 -2.352 1.00 0.00 H new ATOM 0 HH22 ARG A 77 1.065 11.676 -4.006 1.00 0.00 H new ATOM 1207 N SER A 78 7.947 10.036 -6.361 1.00 0.00 N ATOM 1208 CA SER A 78 8.080 11.374 -6.909 1.00 0.00 C ATOM 1209 C SER A 78 8.239 11.352 -8.426 1.00 0.00 C ATOM 1210 O SER A 78 8.048 12.376 -9.079 1.00 0.00 O ATOM 1211 CB SER A 78 9.342 11.970 -6.281 1.00 0.00 C ATOM 1212 OG SER A 78 9.413 13.354 -6.543 1.00 0.00 O ATOM 0 H SER A 78 8.840 9.610 -6.114 1.00 0.00 H new ATOM 0 HA SER A 78 7.186 11.957 -6.688 1.00 0.00 H new ATOM 0 HB2 SER A 78 9.337 11.797 -5.205 1.00 0.00 H new ATOM 0 HB3 SER A 78 10.225 11.472 -6.680 1.00 0.00 H new ATOM 0 HG SER A 78 10.224 13.723 -6.135 1.00 0.00 H new ATOM 1218 N LYS A 79 8.588 10.195 -9.000 1.00 0.00 N ATOM 1219 CA LYS A 79 8.846 10.090 -10.430 1.00 0.00 C ATOM 1220 C LYS A 79 7.703 9.395 -11.143 1.00 0.00 C ATOM 1221 O LYS A 79 7.422 9.710 -12.295 1.00 0.00 O ATOM 1222 CB LYS A 79 10.151 9.331 -10.656 1.00 0.00 C ATOM 1223 CG LYS A 79 11.309 10.133 -10.073 1.00 0.00 C ATOM 1224 CD LYS A 79 12.643 9.435 -10.325 1.00 0.00 C ATOM 1225 CE LYS A 79 13.712 10.315 -9.691 1.00 0.00 C ATOM 1226 NZ LYS A 79 15.060 9.747 -9.831 1.00 0.00 N ATOM 0 H LYS A 79 8.697 9.319 -8.489 1.00 0.00 H new ATOM 0 HA LYS A 79 8.933 11.095 -10.843 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.100 8.349 -10.185 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.309 9.165 -11.722 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.326 11.128 -10.517 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.161 10.265 -9.001 1.00 0.00 H new ATOM 0 HD2 LYS A 79 12.649 8.438 -9.885 1.00 0.00 H new ATOM 0 HD3 LYS A 79 12.823 9.313 -11.393 1.00 0.00 H new ATOM 0 HE2 LYS A 79 13.687 11.302 -10.152 1.00 0.00 H new ATOM 0 HE3 LYS A 79 13.486 10.452 -8.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 15.620 9.970 -8.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 14.992 8.715 -9.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 15.523 10.154 -10.669 1.00 0.00 H new ATOM 1240 N LEU A 80 7.042 8.460 -10.462 1.00 0.00 N ATOM 1241 CA LEU A 80 5.863 7.786 -10.979 1.00 0.00 C ATOM 1242 C LEU A 80 4.721 8.788 -11.149 1.00 0.00 C ATOM 1243 O LEU A 80 3.636 8.426 -11.588 1.00 0.00 O ATOM 1244 CB LEU A 80 5.456 6.713 -9.972 1.00 0.00 C ATOM 1245 CG LEU A 80 6.314 5.438 -9.999 1.00 0.00 C ATOM 1246 CD1 LEU A 80 7.716 5.557 -10.571 1.00 0.00 C ATOM 1247 CD2 LEU A 80 6.346 4.877 -8.585 1.00 0.00 C ATOM 0 H LEU A 80 7.316 8.150 -9.530 1.00 0.00 H new ATOM 0 HA LEU A 80 6.080 7.339 -11.949 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.499 7.141 -8.970 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.418 6.438 -10.157 1.00 0.00 H new ATOM 0 HG LEU A 80 5.833 4.766 -10.710 1.00 0.00 H new ATOM 0 HD11 LEU A 80 8.210 4.586 -10.530 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.659 5.891 -11.607 1.00 0.00 H new ATOM 0 HD13 LEU A 80 8.287 6.279 -9.988 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.948 3.969 -8.567 1.00 0.00 H new ATOM 0 HD22 LEU A 80 6.782 5.614 -7.911 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.331 4.645 -8.262 1.00 0.00 H new ATOM 1259 N GLN A 81 4.980 10.045 -10.802 1.00 0.00 N ATOM 1260 CA GLN A 81 4.103 11.180 -10.962 1.00 0.00 C ATOM 1261 C GLN A 81 4.570 12.166 -12.032 1.00 0.00 C ATOM 1262 O GLN A 81 3.838 13.094 -12.365 1.00 0.00 O ATOM 1263 CB GLN A 81 4.206 11.868 -9.606 1.00 0.00 C ATOM 1264 CG GLN A 81 3.171 11.401 -8.614 1.00 0.00 C ATOM 1265 CD GLN A 81 2.773 9.951 -8.778 1.00 0.00 C ATOM 1266 OE1 GLN A 81 1.689 9.647 -9.269 1.00 0.00 O ATOM 1267 NE2 GLN A 81 3.648 9.049 -8.364 1.00 0.00 N ATOM 0 H GLN A 81 5.869 10.305 -10.374 1.00 0.00 H new ATOM 0 HA GLN A 81 3.105 10.864 -11.268 1.00 0.00 H new ATOM 0 HB2 GLN A 81 5.199 11.692 -9.193 1.00 0.00 H new ATOM 0 HB3 GLN A 81 4.105 12.944 -9.745 1.00 0.00 H new ATOM 0 HG2 GLN A 81 3.556 11.550 -7.605 1.00 0.00 H new ATOM 0 HG3 GLN A 81 2.282 12.024 -8.711 1.00 0.00 H new ATOM 0 HE21 GLN A 81 4.537 9.347 -7.962 1.00 0.00 H new ATOM 0 HE22 GLN A 81 3.434 8.055 -8.447 1.00 0.00 H new ATOM 1276 N TYR A 82 5.775 11.980 -12.571 1.00 0.00 N ATOM 1277 CA TYR A 82 6.321 12.870 -13.587 1.00 0.00 C ATOM 1278 C TYR A 82 6.305 12.233 -14.965 1.00 0.00 C ATOM 1279 O TYR A 82 5.634 12.726 -15.868 1.00 0.00 O ATOM 1280 CB TYR A 82 7.764 13.217 -13.239 1.00 0.00 C ATOM 1281 CG TYR A 82 8.519 13.889 -14.370 1.00 0.00 C ATOM 1282 CD1 TYR A 82 8.302 15.243 -14.662 1.00 0.00 C ATOM 1283 CD2 TYR A 82 9.444 13.149 -15.121 1.00 0.00 C ATOM 1284 CE1 TYR A 82 9.021 15.864 -15.692 1.00 0.00 C ATOM 1285 CE2 TYR A 82 10.187 13.767 -16.138 1.00 0.00 C ATOM 1286 CZ TYR A 82 9.971 15.130 -16.431 1.00 0.00 C ATOM 1287 OH TYR A 82 10.672 15.737 -17.430 1.00 0.00 O ATOM 0 H TYR A 82 6.395 11.211 -12.315 1.00 0.00 H new ATOM 0 HA TYR A 82 5.697 13.763 -13.607 1.00 0.00 H new ATOM 0 HB2 TYR A 82 7.771 13.873 -12.369 1.00 0.00 H new ATOM 0 HB3 TYR A 82 8.289 12.305 -12.955 1.00 0.00 H new ATOM 0 HD1 TYR A 82 7.579 15.808 -14.092 1.00 0.00 H new ATOM 0 HD2 TYR A 82 9.585 12.098 -14.915 1.00 0.00 H new ATOM 0 HE1 TYR A 82 8.847 16.905 -15.920 1.00 0.00 H new ATOM 0 HE2 TYR A 82 10.921 13.202 -16.694 1.00 0.00 H new ATOM 0 HH TYR A 82 11.286 15.091 -17.838 1.00 0.00 H new ATOM 1297 N ARG A 83 7.043 11.133 -15.138 1.00 0.00 N ATOM 1298 CA ARG A 83 7.086 10.465 -16.429 1.00 0.00 C ATOM 1299 C ARG A 83 5.806 9.665 -16.638 1.00 0.00 C ATOM 1300 O ARG A 83 5.613 9.033 -17.673 1.00 0.00 O ATOM 1301 CB ARG A 83 8.414 9.732 -16.661 1.00 0.00 C ATOM 1302 CG ARG A 83 8.675 8.416 -15.924 1.00 0.00 C ATOM 1303 CD ARG A 83 8.830 8.594 -14.416 1.00 0.00 C ATOM 1304 NE ARG A 83 9.923 7.772 -13.880 1.00 0.00 N ATOM 1305 CZ ARG A 83 11.198 8.164 -13.813 1.00 0.00 C ATOM 1306 NH1 ARG A 83 11.572 9.352 -14.272 1.00 0.00 N ATOM 1307 NH2 ARG A 83 12.117 7.361 -13.282 1.00 0.00 N ATOM 0 H ARG A 83 7.608 10.696 -14.410 1.00 0.00 H new ATOM 0 HA ARG A 83 7.092 11.197 -17.237 1.00 0.00 H new ATOM 0 HB2 ARG A 83 8.497 9.533 -17.729 1.00 0.00 H new ATOM 0 HB3 ARG A 83 9.219 10.420 -16.401 1.00 0.00 H new ATOM 0 HG2 ARG A 83 7.853 7.728 -16.120 1.00 0.00 H new ATOM 0 HG3 ARG A 83 9.578 7.956 -16.324 1.00 0.00 H new ATOM 0 HD2 ARG A 83 9.020 9.643 -14.191 1.00 0.00 H new ATOM 0 HD3 ARG A 83 7.897 8.326 -13.920 1.00 0.00 H new ATOM 0 HE ARG A 83 9.693 6.840 -13.536 1.00 0.00 H new ATOM 0 HH11 ARG A 83 10.882 9.980 -14.683 1.00 0.00 H new ATOM 0 HH12 ARG A 83 12.550 9.637 -14.213 1.00 0.00 H new ATOM 0 HH21 ARG A 83 11.848 6.444 -12.925 1.00 0.00 H new ATOM 0 HH22 ARG A 83 13.090 7.663 -13.232 1.00 0.00 H new ATOM 1321 N LEU A 84 4.932 9.709 -15.631 1.00 0.00 N ATOM 1322 CA LEU A 84 3.562 9.239 -15.732 1.00 0.00 C ATOM 1323 C LEU A 84 2.760 10.236 -16.557 1.00 0.00 C ATOM 1324 O LEU A 84 1.950 9.840 -17.383 1.00 0.00 O ATOM 1325 CB LEU A 84 2.956 9.186 -14.327 1.00 0.00 C ATOM 1326 CG LEU A 84 1.424 9.212 -14.286 1.00 0.00 C ATOM 1327 CD1 LEU A 84 0.802 8.066 -15.090 1.00 0.00 C ATOM 1328 CD2 LEU A 84 0.997 9.133 -12.821 1.00 0.00 C ATOM 0 H LEU A 84 5.167 10.079 -14.710 1.00 0.00 H new ATOM 0 HA LEU A 84 3.540 8.253 -16.197 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.303 8.280 -13.831 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.335 10.030 -13.751 1.00 0.00 H new ATOM 0 HG LEU A 84 1.069 10.134 -14.746 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.285 8.128 -15.030 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.113 8.142 -16.132 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.134 7.112 -14.681 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.091 9.149 -12.758 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.372 8.208 -12.382 1.00 0.00 H new ATOM 0 HD23 LEU A 84 1.405 9.985 -12.277 1.00 0.00 H new ATOM 1340 N GLU A 85 2.994 11.529 -16.327 1.00 0.00 N ATOM 1341 CA GLU A 85 2.137 12.582 -16.851 1.00 0.00 C ATOM 1342 C GLU A 85 2.562 13.050 -18.234 1.00 0.00 C ATOM 1343 O GLU A 85 1.720 13.477 -19.021 1.00 0.00 O ATOM 1344 CB GLU A 85 2.195 13.767 -15.888 1.00 0.00 C ATOM 1345 CG GLU A 85 1.539 13.395 -14.556 1.00 0.00 C ATOM 1346 CD GLU A 85 1.411 14.598 -13.617 1.00 0.00 C ATOM 1347 OE1 GLU A 85 2.151 15.587 -13.825 1.00 0.00 O ATOM 1348 OE2 GLU A 85 0.572 14.520 -12.693 1.00 0.00 O ATOM 0 H GLU A 85 3.781 11.870 -15.774 1.00 0.00 H new ATOM 0 HA GLU A 85 1.127 12.181 -16.941 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.232 14.060 -15.722 1.00 0.00 H new ATOM 0 HB3 GLU A 85 1.686 14.626 -16.325 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.550 12.977 -14.744 1.00 0.00 H new ATOM 0 HG3 GLU A 85 2.127 12.617 -14.069 1.00 0.00 H new ATOM 1355 N LEU A 86 3.857 12.974 -18.542 1.00 0.00 N ATOM 1356 CA LEU A 86 4.346 13.449 -19.820 1.00 0.00 C ATOM 1357 C LEU A 86 4.065 12.427 -20.910 1.00 0.00 C ATOM 1358 O LEU A 86 3.801 12.793 -22.050 1.00 0.00 O ATOM 1359 CB LEU A 86 5.832 13.773 -19.670 1.00 0.00 C ATOM 1360 CG LEU A 86 6.774 12.572 -19.755 1.00 0.00 C ATOM 1361 CD1 LEU A 86 7.157 12.279 -21.208 1.00 0.00 C ATOM 1362 CD2 LEU A 86 8.049 12.893 -18.982 1.00 0.00 C ATOM 0 H LEU A 86 4.574 12.591 -17.926 1.00 0.00 H new ATOM 0 HA LEU A 86 3.827 14.358 -20.124 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.111 14.488 -20.444 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.984 14.266 -18.710 1.00 0.00 H new ATOM 0 HG LEU A 86 6.266 11.703 -19.337 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.828 11.420 -21.241 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.258 12.060 -21.784 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.658 13.148 -21.634 1.00 0.00 H new ATOM 0 HD21 LEU A 86 8.730 12.044 -19.035 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.528 13.770 -19.418 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.802 13.095 -17.940 1.00 0.00 H new ATOM 1374 N ALA A 87 4.122 11.145 -20.547 1.00 0.00 N ATOM 1375 CA ALA A 87 3.857 10.031 -21.414 1.00 0.00 C ATOM 1376 C ALA A 87 2.437 10.116 -21.959 1.00 0.00 C ATOM 1377 O ALA A 87 2.260 10.206 -23.167 1.00 0.00 O ATOM 1378 CB ALA A 87 4.066 8.769 -20.580 1.00 0.00 C ATOM 0 H ALA A 87 4.365 10.859 -19.599 1.00 0.00 H new ATOM 0 HA ALA A 87 4.523 10.026 -22.277 1.00 0.00 H new ATOM 0 HB1 ALA A 87 3.876 7.890 -21.196 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.092 8.741 -20.214 1.00 0.00 H new ATOM 0 HB3 ALA A 87 3.379 8.774 -19.734 1.00 0.00 H new ATOM 1384 N GLN A 88 1.426 10.095 -21.082 1.00 0.00 N ATOM 1385 CA GLN A 88 0.019 10.188 -21.469 1.00 0.00 C ATOM 1386 C GLN A 88 -0.303 11.489 -22.198 1.00 0.00 C ATOM 1387 O GLN A 88 -1.327 11.592 -22.871 1.00 0.00 O ATOM 1388 CB GLN A 88 -0.873 10.049 -20.251 1.00 0.00 C ATOM 1389 CG GLN A 88 -0.425 10.985 -19.146 1.00 0.00 C ATOM 1390 CD GLN A 88 -1.342 10.893 -17.934 1.00 0.00 C ATOM 1391 OE1 GLN A 88 -2.470 11.385 -17.948 1.00 0.00 O ATOM 1392 NE2 GLN A 88 -0.857 10.257 -16.872 1.00 0.00 N ATOM 0 H GLN A 88 1.566 10.012 -20.075 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.172 9.369 -22.162 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -1.905 10.269 -20.524 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -0.850 9.020 -19.893 1.00 0.00 H new ATOM 0 HG2 GLN A 88 0.596 10.740 -18.851 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -0.413 12.010 -19.518 1.00 0.00 H new ATOM 0 HE21 GLN A 88 0.083 9.862 -16.899 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -1.425 10.164 -16.030 1.00 0.00 H new ATOM 1401 N GLY A 89 0.578 12.479 -22.061 1.00 0.00 N ATOM 1402 CA GLY A 89 0.447 13.764 -22.723 1.00 0.00 C ATOM 1403 C GLY A 89 1.257 13.776 -24.020 1.00 0.00 C ATOM 1404 O GLY A 89 1.449 14.831 -24.623 1.00 0.00 O ATOM 0 H GLY A 89 1.412 12.404 -21.478 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.602 13.964 -22.939 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.793 14.559 -22.062 1.00 0.00 H new ATOM 1408 N ALA A 90 1.728 12.599 -24.441 1.00 0.00 N ATOM 1409 CA ALA A 90 2.564 12.444 -25.615 1.00 0.00 C ATOM 1410 C ALA A 90 2.249 11.176 -26.394 1.00 0.00 C ATOM 1411 O ALA A 90 2.617 11.084 -27.566 1.00 0.00 O ATOM 1412 CB ALA A 90 3.997 12.289 -25.143 1.00 0.00 C ATOM 0 H ALA A 90 1.531 11.720 -23.963 1.00 0.00 H new ATOM 0 HA ALA A 90 2.395 13.312 -26.253 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.653 12.170 -26.005 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.293 13.175 -24.581 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.076 11.410 -24.503 1.00 0.00 H new ATOM 1418 N VAL A 91 1.583 10.203 -25.766 1.00 0.00 N ATOM 1419 CA VAL A 91 1.419 8.891 -26.382 1.00 0.00 C ATOM 1420 C VAL A 91 0.914 8.955 -27.816 1.00 0.00 C ATOM 1421 O VAL A 91 1.502 8.386 -28.735 1.00 0.00 O ATOM 1422 CB VAL A 91 0.449 8.057 -25.593 1.00 0.00 C ATOM 1423 CG1 VAL A 91 0.548 6.597 -25.981 1.00 0.00 C ATOM 1424 CG2 VAL A 91 0.464 8.205 -24.099 1.00 0.00 C ATOM 0 H VAL A 91 1.156 10.300 -24.845 1.00 0.00 H new ATOM 0 HA VAL A 91 2.414 8.446 -26.388 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.517 8.474 -25.879 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.164 6.016 -25.395 1.00 0.00 H new ATOM 0 HG12 VAL A 91 0.322 6.486 -27.041 1.00 0.00 H new ATOM 0 HG13 VAL A 91 1.558 6.236 -25.786 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.285 7.546 -23.661 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.450 7.939 -23.717 1.00 0.00 H new ATOM 0 HG23 VAL A 91 0.238 9.238 -23.833 1.00 0.00 H new ATOM 1434 N GLY A 92 -0.199 9.665 -27.975 1.00 0.00 N ATOM 1435 CA GLY A 92 -0.911 9.795 -29.232 1.00 0.00 C ATOM 1436 C GLY A 92 -0.243 10.753 -30.218 1.00 0.00 C ATOM 1437 O GLY A 92 -0.728 10.893 -31.342 1.00 0.00 O ATOM 0 H GLY A 92 -0.638 10.177 -27.210 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.996 8.812 -29.695 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -1.925 10.142 -29.031 1.00 0.00 H new ATOM 1441 N SER A 93 0.853 11.404 -29.813 1.00 0.00 N ATOM 1442 CA SER A 93 1.559 12.389 -30.623 1.00 0.00 C ATOM 1443 C SER A 93 0.633 13.499 -31.126 1.00 0.00 C ATOM 1444 O SER A 93 -0.521 13.596 -30.709 1.00 0.00 O ATOM 1445 CB SER A 93 2.291 11.666 -31.758 1.00 0.00 C ATOM 1446 OG SER A 93 3.229 12.527 -32.371 1.00 0.00 O ATOM 0 H SER A 93 1.277 11.255 -28.897 1.00 0.00 H new ATOM 0 HA SER A 93 2.297 12.899 -30.003 1.00 0.00 H new ATOM 0 HB2 SER A 93 2.799 10.784 -31.367 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.571 11.317 -32.498 1.00 0.00 H new ATOM 0 HG SER A 93 3.689 12.049 -33.092 1.00 0.00 H new ATOM 1452 N VAL A 94 1.160 14.332 -32.025 1.00 0.00 N ATOM 1453 CA VAL A 94 0.519 15.508 -32.592 1.00 0.00 C ATOM 1454 C VAL A 94 -0.100 16.409 -31.533 1.00 0.00 C ATOM 1455 O VAL A 94 -1.195 16.170 -31.030 1.00 0.00 O ATOM 1456 CB VAL A 94 -0.486 15.120 -33.672 1.00 0.00 C ATOM 1457 CG1 VAL A 94 -1.049 16.398 -34.296 1.00 0.00 C ATOM 1458 CG2 VAL A 94 0.209 14.293 -34.753 1.00 0.00 C ATOM 0 H VAL A 94 2.100 14.191 -32.395 1.00 0.00 H new ATOM 0 HA VAL A 94 1.303 16.099 -33.066 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.290 14.529 -33.233 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -1.770 16.138 -35.071 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -1.542 16.992 -33.526 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -0.237 16.977 -34.736 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -0.513 14.019 -35.522 1.00 0.00 H new ATOM 0 HG22 VAL A 94 1.011 14.880 -35.201 1.00 0.00 H new ATOM 0 HG23 VAL A 94 0.626 13.390 -34.308 1.00 0.00 H new ATOM 1468 N GLN A 95 0.634 17.470 -31.208 1.00 0.00 N ATOM 1469 CA GLN A 95 0.232 18.465 -30.243 1.00 0.00 C ATOM 1470 C GLN A 95 -0.727 19.500 -30.848 1.00 0.00 C ATOM 1471 O GLN A 95 -1.226 20.363 -30.126 1.00 0.00 O ATOM 1472 CB GLN A 95 1.490 19.164 -29.740 1.00 0.00 C ATOM 1473 CG GLN A 95 2.456 18.192 -29.057 1.00 0.00 C ATOM 1474 CD GLN A 95 3.250 17.360 -30.062 1.00 0.00 C ATOM 1475 OE1 GLN A 95 3.918 17.911 -30.936 1.00 0.00 O ATOM 1476 NE2 GLN A 95 3.186 16.036 -29.961 1.00 0.00 N ATOM 0 H GLN A 95 1.546 17.658 -31.624 1.00 0.00 H new ATOM 0 HA GLN A 95 -0.300 17.973 -29.429 1.00 0.00 H new ATOM 0 HB2 GLN A 95 1.994 19.648 -30.577 1.00 0.00 H new ATOM 0 HB3 GLN A 95 1.211 19.950 -29.038 1.00 0.00 H new ATOM 0 HG2 GLN A 95 3.147 18.753 -28.427 1.00 0.00 H new ATOM 0 HG3 GLN A 95 1.895 17.527 -28.401 1.00 0.00 H new ATOM 0 HE21 GLN A 95 2.624 15.607 -29.226 1.00 0.00 H new ATOM 0 HE22 GLN A 95 3.699 15.449 -30.619 1.00 0.00 H new ATOM 1485 N ILE A 96 -0.993 19.418 -32.158 1.00 0.00 N ATOM 1486 CA ILE A 96 -1.851 20.366 -32.864 1.00 0.00 C ATOM 1487 C ILE A 96 -2.766 19.619 -33.843 1.00 0.00 C ATOM 1488 O ILE A 96 -2.742 19.877 -35.045 1.00 0.00 O ATOM 1489 CB ILE A 96 -1.003 21.442 -33.566 1.00 0.00 C ATOM 1490 CG1 ILE A 96 0.087 21.986 -32.631 1.00 0.00 C ATOM 1491 CG2 ILE A 96 -1.912 22.594 -34.010 1.00 0.00 C ATOM 1492 CD1 ILE A 96 0.940 23.060 -33.305 1.00 0.00 C ATOM 0 H ILE A 96 -0.614 18.685 -32.758 1.00 0.00 H new ATOM 0 HA ILE A 96 -2.489 20.880 -32.145 1.00 0.00 H new ATOM 0 HB ILE A 96 -0.519 20.988 -34.431 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -0.378 22.401 -31.737 1.00 0.00 H new ATOM 0 HG13 ILE A 96 0.728 21.166 -32.306 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -1.315 23.358 -34.508 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.667 22.217 -34.700 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.402 23.028 -33.138 1.00 0.00 H new ATOM 0 HD11 ILE A 96 1.697 23.415 -32.606 1.00 0.00 H new ATOM 0 HD12 ILE A 96 1.427 22.639 -34.184 1.00 0.00 H new ATOM 0 HD13 ILE A 96 0.305 23.893 -33.606 1.00 0.00 H new ATOM 1504 N PRO A 97 -3.582 18.681 -33.339 1.00 0.00 N ATOM 1505 CA PRO A 97 -4.517 17.904 -34.138 1.00 0.00 C ATOM 1506 C PRO A 97 -5.690 18.772 -34.608 1.00 0.00 C ATOM 1507 O PRO A 97 -5.810 19.935 -34.220 1.00 0.00 O ATOM 1508 CB PRO A 97 -4.999 16.789 -33.207 1.00 0.00 C ATOM 1509 CG PRO A 97 -4.907 17.426 -31.821 1.00 0.00 C ATOM 1510 CD PRO A 97 -3.663 18.301 -31.943 1.00 0.00 C ATOM 0 HA PRO A 97 -4.053 17.509 -35.042 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -6.018 16.481 -33.442 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -4.372 15.901 -33.284 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -5.794 18.013 -31.584 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -4.801 16.677 -31.036 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -3.739 19.180 -31.302 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -2.771 17.757 -31.634 1.00 0.00 H new ATOM 1518 N VAL A 98 -6.557 18.193 -35.444 1.00 0.00 N ATOM 1519 CA VAL A 98 -7.788 18.824 -35.907 1.00 0.00 C ATOM 1520 C VAL A 98 -8.816 18.800 -34.776 1.00 0.00 C ATOM 1521 O VAL A 98 -9.880 18.197 -34.894 1.00 0.00 O ATOM 1522 CB VAL A 98 -8.301 18.145 -37.181 1.00 0.00 C ATOM 1523 CG1 VAL A 98 -9.435 18.956 -37.806 1.00 0.00 C ATOM 1524 CG2 VAL A 98 -7.184 18.025 -38.217 1.00 0.00 C ATOM 0 H VAL A 98 -6.417 17.256 -35.822 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.597 19.864 -36.170 1.00 0.00 H new ATOM 0 HB VAL A 98 -8.659 17.155 -36.899 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -9.785 18.456 -38.709 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -10.258 19.039 -37.096 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -9.073 19.952 -38.060 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -7.570 17.540 -39.114 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -6.816 19.019 -38.472 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -6.368 17.430 -37.805 1.00 0.00 H new ATOM 1534 N VAL A 99 -8.470 19.467 -33.674 1.00 0.00 N ATOM 1535 CA VAL A 99 -9.221 19.544 -32.432 1.00 0.00 C ATOM 1536 C VAL A 99 -10.515 20.355 -32.539 1.00 0.00 C ATOM 1537 O VAL A 99 -10.998 20.928 -31.566 1.00 0.00 O ATOM 1538 CB VAL A 99 -8.245 20.087 -31.387 1.00 0.00 C ATOM 1539 CG1 VAL A 99 -8.068 21.602 -31.516 1.00 0.00 C ATOM 1540 CG2 VAL A 99 -8.664 19.688 -29.987 1.00 0.00 C ATOM 0 H VAL A 99 -7.601 20.000 -33.628 1.00 0.00 H new ATOM 0 HA VAL A 99 -9.588 18.558 -32.146 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.272 19.635 -31.578 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.368 21.952 -30.758 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -7.679 21.840 -32.506 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -9.031 22.094 -31.376 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -7.951 20.088 -29.266 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -9.656 20.087 -29.776 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -8.686 18.601 -29.910 1.00 0.00 H new ATOM 1550 N GLU A 100 -11.069 20.395 -33.745 1.00 0.00 N ATOM 1551 CA GLU A 100 -12.262 21.125 -34.114 1.00 0.00 C ATOM 1552 C GLU A 100 -13.427 20.864 -33.163 1.00 0.00 C ATOM 1553 O GLU A 100 -13.581 19.767 -32.625 1.00 0.00 O ATOM 1554 CB GLU A 100 -12.619 20.718 -35.545 1.00 0.00 C ATOM 1555 CG GLU A 100 -13.896 21.374 -36.009 1.00 0.00 C ATOM 1556 CD GLU A 100 -14.098 21.226 -37.518 1.00 0.00 C ATOM 1557 OE1 GLU A 100 -14.675 20.193 -37.929 1.00 0.00 O ATOM 1558 OE2 GLU A 100 -13.670 22.150 -38.248 1.00 0.00 O ATOM 0 H GLU A 100 -10.669 19.887 -34.533 1.00 0.00 H new ATOM 0 HA GLU A 100 -12.067 22.195 -34.049 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -11.804 20.992 -36.215 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -12.726 19.635 -35.599 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -14.743 20.932 -35.484 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -13.876 22.432 -35.747 1.00 0.00 H new ATOM 1565 N VAL A 101 -14.244 21.899 -32.968 1.00 0.00 N ATOM 1566 CA VAL A 101 -15.465 21.846 -32.177 1.00 0.00 C ATOM 1567 C VAL A 101 -16.548 22.608 -32.921 1.00 0.00 C ATOM 1568 O VAL A 101 -16.325 23.732 -33.367 1.00 0.00 O ATOM 1569 CB VAL A 101 -15.230 22.461 -30.793 1.00 0.00 C ATOM 1570 CG1 VAL A 101 -16.482 22.316 -29.922 1.00 0.00 C ATOM 1571 CG2 VAL A 101 -14.060 21.783 -30.085 1.00 0.00 C ATOM 0 H VAL A 101 -14.067 22.820 -33.368 1.00 0.00 H new ATOM 0 HA VAL A 101 -15.773 20.810 -32.034 1.00 0.00 H new ATOM 0 HB VAL A 101 -15.001 23.517 -30.938 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -16.297 22.758 -28.943 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -17.318 22.827 -30.399 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -16.722 21.259 -29.804 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -13.914 22.238 -29.105 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -14.274 20.721 -29.964 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -13.155 21.905 -30.680 1.00 0.00 H new ATOM 1581 N ASP A 102 -17.722 21.989 -33.054 1.00 0.00 N ATOM 1582 CA ASP A 102 -18.846 22.558 -33.785 1.00 0.00 C ATOM 1583 C ASP A 102 -20.163 22.006 -33.228 1.00 0.00 C ATOM 1584 O ASP A 102 -21.163 21.917 -33.936 1.00 0.00 O ATOM 1585 CB ASP A 102 -18.657 22.245 -35.275 1.00 0.00 C ATOM 1586 CG ASP A 102 -19.715 22.904 -36.154 1.00 0.00 C ATOM 1587 OD1 ASP A 102 -19.890 24.139 -36.030 1.00 0.00 O ATOM 1588 OD2 ASP A 102 -20.345 22.172 -36.949 1.00 0.00 O ATOM 0 H ASP A 102 -17.917 21.072 -32.653 1.00 0.00 H new ATOM 0 HA ASP A 102 -18.886 23.641 -33.665 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -17.669 22.580 -35.590 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -18.689 21.165 -35.422 1.00 0.00 H new ATOM 1593 N GLU A 103 -20.129 21.638 -31.941 1.00 0.00 N ATOM 1594 CA GLU A 103 -21.206 21.007 -31.179 1.00 0.00 C ATOM 1595 C GLU A 103 -22.007 19.947 -31.947 1.00 0.00 C ATOM 1596 O GLU A 103 -21.582 19.434 -32.984 1.00 0.00 O ATOM 1597 CB GLU A 103 -22.110 22.054 -30.506 1.00 0.00 C ATOM 1598 CG GLU A 103 -23.021 22.841 -31.454 1.00 0.00 C ATOM 1599 CD GLU A 103 -22.329 23.997 -32.183 1.00 0.00 C ATOM 1600 OE1 GLU A 103 -21.275 24.459 -31.687 1.00 0.00 O ATOM 1601 OE2 GLU A 103 -22.863 24.411 -33.236 1.00 0.00 O ATOM 0 H GLU A 103 -19.295 21.783 -31.372 1.00 0.00 H new ATOM 0 HA GLU A 103 -20.704 20.441 -30.394 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -22.732 21.550 -29.766 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -21.480 22.760 -29.965 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -23.433 22.156 -32.194 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -23.861 23.238 -30.884 1.00 0.00 H new ATOM 1608 N LEU A 104 -23.183 19.630 -31.400 1.00 0.00 N ATOM 1609 CA LEU A 104 -24.158 18.698 -31.893 1.00 0.00 C ATOM 1610 C LEU A 104 -24.587 18.933 -33.348 1.00 0.00 C ATOM 1611 O LEU A 104 -24.211 19.924 -33.979 1.00 0.00 O ATOM 1612 CB LEU A 104 -25.269 18.732 -30.852 1.00 0.00 C ATOM 1613 CG LEU A 104 -26.173 19.955 -30.815 1.00 0.00 C ATOM 1614 CD1 LEU A 104 -26.918 20.235 -32.103 1.00 0.00 C ATOM 1615 CD2 LEU A 104 -27.267 19.555 -29.853 1.00 0.00 C ATOM 0 H LEU A 104 -23.488 20.064 -30.529 1.00 0.00 H new ATOM 0 HA LEU A 104 -23.754 17.690 -31.990 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -25.898 17.856 -31.006 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -24.810 18.626 -29.869 1.00 0.00 H new ATOM 0 HG LEU A 104 -25.560 20.825 -30.580 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -27.536 21.125 -31.980 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -26.203 20.399 -32.909 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -27.553 19.384 -32.349 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -27.980 20.373 -29.752 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -27.780 18.671 -30.232 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -26.831 19.332 -28.879 1.00 0.00 H new ATOM 1627 N PRO A 105 -25.383 17.998 -33.877 1.00 0.00 N ATOM 1628 CA PRO A 105 -25.741 17.850 -35.272 1.00 0.00 C ATOM 1629 C PRO A 105 -26.976 18.662 -35.670 1.00 0.00 C ATOM 1630 O PRO A 105 -27.634 19.276 -34.836 1.00 0.00 O ATOM 1631 CB PRO A 105 -26.026 16.357 -35.339 1.00 0.00 C ATOM 1632 CG PRO A 105 -26.807 16.095 -34.072 1.00 0.00 C ATOM 1633 CD PRO A 105 -25.981 16.927 -33.109 1.00 0.00 C ATOM 0 HA PRO A 105 -24.970 18.210 -35.953 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -26.602 16.097 -36.227 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -25.106 15.773 -35.373 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -27.842 16.431 -34.138 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -26.831 15.039 -33.803 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -26.607 17.328 -32.312 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -25.212 16.317 -32.635 1.00 0.00 H new ATOM 1641 N GLU A 106 -27.294 18.655 -36.969 1.00 0.00 N ATOM 1642 CA GLU A 106 -28.426 19.386 -37.531 1.00 0.00 C ATOM 1643 C GLU A 106 -29.756 18.652 -37.328 1.00 0.00 C ATOM 1644 O GLU A 106 -30.740 18.957 -38.001 1.00 0.00 O ATOM 1645 CB GLU A 106 -28.160 19.653 -39.016 1.00 0.00 C ATOM 1646 CG GLU A 106 -28.049 18.353 -39.811 1.00 0.00 C ATOM 1647 CD GLU A 106 -27.793 18.644 -41.288 1.00 0.00 C ATOM 1648 OE1 GLU A 106 -26.605 18.756 -41.665 1.00 0.00 O ATOM 1649 OE2 GLU A 106 -28.793 18.755 -42.033 1.00 0.00 O ATOM 0 H GLU A 106 -26.763 18.133 -37.666 1.00 0.00 H new ATOM 0 HA GLU A 106 -28.521 20.333 -37.000 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -28.965 20.263 -39.426 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -27.239 20.226 -39.124 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -27.239 17.743 -39.410 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -28.967 17.775 -39.703 1.00 0.00 H new ATOM 1656 N GLY A 107 -29.796 17.685 -36.408 1.00 0.00 N ATOM 1657 CA GLY A 107 -30.979 16.864 -36.179 1.00 0.00 C ATOM 1658 C GLY A 107 -30.947 16.159 -34.827 1.00 0.00 C ATOM 1659 O GLY A 107 -31.453 15.044 -34.705 1.00 0.00 O ATOM 0 H GLY A 107 -29.008 17.452 -35.803 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -31.869 17.490 -36.238 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -31.060 16.120 -36.971 1.00 0.00 H new ATOM 1663 N TYR A 108 -30.346 16.793 -33.820 1.00 0.00 N ATOM 1664 CA TYR A 108 -30.205 16.238 -32.482 1.00 0.00 C ATOM 1665 C TYR A 108 -31.565 16.081 -31.796 1.00 0.00 C ATOM 1666 O TYR A 108 -32.577 16.616 -32.254 1.00 0.00 O ATOM 1667 CB TYR A 108 -29.326 17.203 -31.690 1.00 0.00 C ATOM 1668 CG TYR A 108 -28.801 16.694 -30.374 1.00 0.00 C ATOM 1669 CD1 TYR A 108 -27.609 15.964 -30.352 1.00 0.00 C ATOM 1670 CD2 TYR A 108 -29.461 17.007 -29.177 1.00 0.00 C ATOM 1671 CE1 TYR A 108 -27.021 15.622 -29.131 1.00 0.00 C ATOM 1672 CE2 TYR A 108 -28.885 16.651 -27.950 1.00 0.00 C ATOM 1673 CZ TYR A 108 -27.657 15.959 -27.919 1.00 0.00 C ATOM 1674 OH TYR A 108 -27.090 15.625 -26.725 1.00 0.00 O ATOM 0 H TYR A 108 -29.938 17.723 -33.917 1.00 0.00 H new ATOM 0 HA TYR A 108 -29.759 15.245 -32.534 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -28.476 17.483 -32.313 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -29.897 18.112 -31.503 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -27.142 15.664 -31.279 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -30.411 17.521 -29.201 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -26.077 15.098 -29.116 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -29.383 16.907 -27.026 1.00 0.00 H new ATOM 0 HH TYR A 108 -27.663 15.935 -25.993 1.00 0.00 H new ATOM 1684 N ASP A 109 -31.579 15.342 -30.687 1.00 0.00 N ATOM 1685 CA ASP A 109 -32.754 15.156 -29.846 1.00 0.00 C ATOM 1686 C ASP A 109 -32.324 15.033 -28.387 1.00 0.00 C ATOM 1687 O ASP A 109 -31.184 14.653 -28.102 1.00 0.00 O ATOM 1688 CB ASP A 109 -33.516 13.895 -30.264 1.00 0.00 C ATOM 1689 CG ASP A 109 -34.161 14.034 -31.641 1.00 0.00 C ATOM 1690 OD1 ASP A 109 -35.135 14.814 -31.742 1.00 0.00 O ATOM 1691 OD2 ASP A 109 -33.686 13.360 -32.585 1.00 0.00 O ATOM 0 H ASP A 109 -30.756 14.847 -30.344 1.00 0.00 H new ATOM 0 HA ASP A 109 -33.410 16.018 -29.964 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -32.832 13.046 -30.270 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -34.287 13.678 -29.525 1.00 0.00 H new ATOM 1696 N ARG A 110 -33.233 15.348 -27.460 1.00 0.00 N ATOM 1697 CA ARG A 110 -32.920 15.366 -26.036 1.00 0.00 C ATOM 1698 C ARG A 110 -34.136 14.962 -25.198 1.00 0.00 C ATOM 1699 O ARG A 110 -34.095 15.023 -23.970 1.00 0.00 O ATOM 1700 CB ARG A 110 -32.453 16.783 -25.677 1.00 0.00 C ATOM 1701 CG ARG A 110 -31.701 16.835 -24.343 1.00 0.00 C ATOM 1702 CD ARG A 110 -31.318 18.282 -24.053 1.00 0.00 C ATOM 1703 NE ARG A 110 -30.568 18.393 -22.799 1.00 0.00 N ATOM 1704 CZ ARG A 110 -30.073 19.536 -22.314 1.00 0.00 C ATOM 1705 NH1 ARG A 110 -30.247 20.680 -22.972 1.00 0.00 N ATOM 1706 NH2 ARG A 110 -29.399 19.540 -21.167 1.00 0.00 N ATOM 0 H ARG A 110 -34.198 15.595 -27.677 1.00 0.00 H new ATOM 0 HA ARG A 110 -32.133 14.644 -25.818 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -31.806 17.160 -26.469 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -33.317 17.445 -25.629 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -32.326 16.442 -23.541 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -30.809 16.210 -24.387 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -30.717 18.673 -24.874 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -32.218 18.894 -23.996 1.00 0.00 H new ATOM 0 HE ARG A 110 -30.413 17.541 -22.260 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -30.761 20.689 -23.853 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -29.866 21.548 -22.595 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -29.259 18.669 -20.655 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -29.023 20.414 -20.800 1.00 0.00 H new ATOM 1720 N SER A 111 -35.224 14.548 -25.858 1.00 0.00 N ATOM 1721 CA SER A 111 -36.474 14.220 -25.183 1.00 0.00 C ATOM 1722 C SER A 111 -37.242 13.121 -25.910 1.00 0.00 C ATOM 1723 O SER A 111 -38.190 12.582 -25.289 1.00 0.00 O ATOM 1724 CB SER A 111 -37.323 15.488 -25.067 1.00 0.00 C ATOM 1725 OG SER A 111 -37.619 15.984 -26.356 1.00 0.00 O ATOM 1726 OXT SER A 111 -36.887 12.829 -27.073 1.00 0.00 O ATOM 0 H SER A 111 -35.258 14.433 -26.871 1.00 0.00 H new ATOM 0 HA SER A 111 -36.243 13.837 -24.189 1.00 0.00 H new ATOM 0 HB2 SER A 111 -38.246 15.271 -24.530 1.00 0.00 H new ATOM 0 HB3 SER A 111 -36.789 16.243 -24.490 1.00 0.00 H new ATOM 0 HG SER A 111 -38.164 16.795 -26.277 1.00 0.00 H new TER 1732 SER A 111 ATOM 1733 N ALA B 701 16.360 23.468 -14.477 1.00 0.00 N ATOM 1734 CA ALA B 701 16.102 22.108 -14.985 1.00 0.00 C ATOM 1735 C ALA B 701 17.255 21.184 -14.621 1.00 0.00 C ATOM 1736 O ALA B 701 18.270 21.128 -15.317 1.00 0.00 O ATOM 1737 CB ALA B 701 15.857 22.119 -16.496 1.00 0.00 C ATOM 0 HA ALA B 701 15.196 21.730 -14.512 1.00 0.00 H new ATOM 0 HB1 ALA B 701 15.670 21.102 -16.842 1.00 0.00 H new ATOM 0 HB2 ALA B 701 14.992 22.743 -16.720 1.00 0.00 H new ATOM 0 HB3 ALA B 701 16.735 22.519 -17.004 1.00 0.00 H new ATOM 1745 N ASP B 702 17.097 20.455 -13.509 1.00 0.00 N ATOM 1746 CA ASP B 702 18.138 19.593 -12.968 1.00 0.00 C ATOM 1747 C ASP B 702 17.529 18.365 -12.295 1.00 0.00 C ATOM 1748 O ASP B 702 18.162 17.740 -11.445 1.00 0.00 O ATOM 1749 CB ASP B 702 18.977 20.394 -11.961 1.00 0.00 C ATOM 1750 CG ASP B 702 19.703 21.567 -12.619 1.00 0.00 C ATOM 1751 OD1 ASP B 702 20.837 21.347 -13.103 1.00 0.00 O ATOM 1752 OD2 ASP B 702 19.118 22.676 -12.637 1.00 0.00 O ATOM 0 H ASP B 702 16.236 20.451 -12.962 1.00 0.00 H new ATOM 0 HA ASP B 702 18.775 19.246 -13.781 1.00 0.00 H new ATOM 0 HB2 ASP B 702 18.330 20.768 -11.168 1.00 0.00 H new ATOM 0 HB3 ASP B 702 19.707 19.734 -11.492 1.00 0.00 H new ATOM 1757 N THR B 703 16.295 18.018 -12.668 1.00 0.00 N ATOM 1758 CA THR B 703 15.565 16.906 -12.068 1.00 0.00 C ATOM 1759 C THR B 703 16.327 15.589 -12.149 1.00 0.00 C ATOM 1760 O THR B 703 17.013 15.302 -13.130 1.00 0.00 O ATOM 1761 CB THR B 703 14.186 16.766 -12.707 1.00 0.00 C ATOM 1762 OG1 THR B 703 13.518 15.707 -12.070 1.00 0.00 O ATOM 1763 CG2 THR B 703 14.305 16.476 -14.204 1.00 0.00 C ATOM 0 H THR B 703 15.775 18.504 -13.398 1.00 0.00 H new ATOM 0 HA THR B 703 15.449 17.139 -11.009 1.00 0.00 H new ATOM 0 HB THR B 703 13.633 17.698 -12.590 1.00 0.00 H new ATOM 0 HG1 THR B 703 12.572 15.715 -12.326 1.00 0.00 H new ATOM 0 HG21 THR B 703 13.309 16.381 -14.636 1.00 0.00 H new ATOM 0 HG22 THR B 703 14.836 17.294 -14.692 1.00 0.00 H new ATOM 0 HG23 THR B 703 14.855 15.547 -14.352 1.00 0.00 H new ATOM 1771 N GLU B 704 16.192 14.784 -11.093 1.00 0.00 N ATOM 1772 CA GLU B 704 16.679 13.414 -11.062 1.00 0.00 C ATOM 1773 C GLU B 704 15.740 12.510 -11.857 1.00 0.00 C ATOM 1774 O GLU B 704 16.008 11.319 -12.007 1.00 0.00 O ATOM 1775 CB GLU B 704 16.804 12.946 -9.613 1.00 0.00 C ATOM 1776 CG GLU B 704 15.499 13.178 -8.850 1.00 0.00 C ATOM 1777 CD GLU B 704 15.554 12.550 -7.460 1.00 0.00 C ATOM 1778 OE1 GLU B 704 15.666 11.304 -7.403 1.00 0.00 O ATOM 1779 OE2 GLU B 704 15.482 13.313 -6.470 1.00 0.00 O ATOM 0 H GLU B 704 15.735 15.074 -10.228 1.00 0.00 H new ATOM 0 HA GLU B 704 17.665 13.364 -11.524 1.00 0.00 H new ATOM 0 HB2 GLU B 704 17.060 11.887 -9.590 1.00 0.00 H new ATOM 0 HB3 GLU B 704 17.617 13.482 -9.123 1.00 0.00 H new ATOM 0 HG2 GLU B 704 15.312 14.248 -8.761 1.00 0.00 H new ATOM 0 HG3 GLU B 704 14.666 12.754 -9.411 1.00 0.00 H new ATOM 1786 N MET B 705 14.635 13.062 -12.372 1.00 0.00 N ATOM 1787 CA MET B 705 13.733 12.337 -13.255 1.00 0.00 C ATOM 1788 C MET B 705 14.460 11.993 -14.537 1.00 0.00 C ATOM 1789 O MET B 705 14.241 10.934 -15.121 1.00 0.00 O ATOM 1790 CB MET B 705 12.569 13.223 -13.650 1.00 0.00 C ATOM 1791 CG MET B 705 11.701 13.185 -12.426 1.00 0.00 C ATOM 1792 SD MET B 705 10.582 14.553 -12.166 1.00 0.00 S ATOM 1793 CE MET B 705 10.174 13.784 -10.610 1.00 0.00 C ATOM 0 H MET B 705 14.347 14.022 -12.185 1.00 0.00 H new ATOM 0 HA MET B 705 13.387 11.445 -12.733 1.00 0.00 H new ATOM 0 HB2 MET B 705 12.893 14.237 -13.886 1.00 0.00 H new ATOM 0 HB3 MET B 705 12.049 12.841 -14.528 1.00 0.00 H new ATOM 0 HG2 MET B 705 11.111 12.269 -12.461 1.00 0.00 H new ATOM 0 HG3 MET B 705 12.351 13.112 -11.554 1.00 0.00 H new ATOM 0 HE1 MET B 705 9.345 14.319 -10.146 1.00 0.00 H new ATOM 0 HE2 MET B 705 9.886 12.747 -10.781 1.00 0.00 H new ATOM 0 HE3 MET B 705 11.041 13.816 -9.950 1.00 0.00 H new ATOM 1803 N GLU B 706 15.325 12.917 -14.957 1.00 0.00 N ATOM 1804 CA GLU B 706 16.103 12.779 -16.172 1.00 0.00 C ATOM 1805 C GLU B 706 17.312 11.866 -15.906 1.00 0.00 C ATOM 1806 O GLU B 706 18.264 11.821 -16.680 1.00 0.00 O ATOM 1807 CB GLU B 706 16.483 14.179 -16.658 1.00 0.00 C ATOM 1808 CG GLU B 706 16.278 14.327 -18.169 1.00 0.00 C ATOM 1809 CD GLU B 706 17.090 13.323 -18.987 1.00 0.00 C ATOM 1810 OE1 GLU B 706 18.292 13.589 -19.217 1.00 0.00 O ATOM 1811 OE2 GLU B 706 16.496 12.292 -19.380 1.00 0.00 O ATOM 0 H GLU B 706 15.501 13.787 -14.454 1.00 0.00 H new ATOM 0 HA GLU B 706 15.532 12.301 -16.968 1.00 0.00 H new ATOM 0 HB2 GLU B 706 15.882 14.922 -16.134 1.00 0.00 H new ATOM 0 HB3 GLU B 706 17.525 14.380 -16.410 1.00 0.00 H new ATOM 0 HG2 GLU B 706 15.220 14.203 -18.400 1.00 0.00 H new ATOM 0 HG3 GLU B 706 16.553 15.338 -18.469 1.00 0.00 H new ATOM 1818 N GLU B 707 17.247 11.139 -14.790 1.00 0.00 N ATOM 1819 CA GLU B 707 18.210 10.149 -14.339 1.00 0.00 C ATOM 1820 C GLU B 707 17.392 8.953 -13.835 1.00 0.00 C ATOM 1821 O GLU B 707 16.199 8.873 -14.140 1.00 0.00 O ATOM 1822 CB GLU B 707 19.123 10.771 -13.277 1.00 0.00 C ATOM 1823 CG GLU B 707 20.393 9.943 -13.065 1.00 0.00 C ATOM 1824 CD GLU B 707 21.422 10.719 -12.250 1.00 0.00 C ATOM 1825 OE1 GLU B 707 21.113 11.057 -11.084 1.00 0.00 O ATOM 1826 OE2 GLU B 707 22.516 10.974 -12.802 1.00 0.00 O ATOM 0 H GLU B 707 16.468 11.237 -14.139 1.00 0.00 H new ATOM 0 HA GLU B 707 18.878 9.807 -15.130 1.00 0.00 H new ATOM 0 HB2 GLU B 707 19.395 11.783 -13.578 1.00 0.00 H new ATOM 0 HB3 GLU B 707 18.581 10.854 -12.335 1.00 0.00 H new ATOM 0 HG2 GLU B 707 20.144 9.014 -12.553 1.00 0.00 H new ATOM 0 HG3 GLU B 707 20.819 9.671 -14.031 1.00 0.00 H new ATOM 1833 N VAL B 708 17.969 8.015 -13.076 1.00 0.00 N ATOM 1834 CA VAL B 708 17.222 6.819 -12.696 1.00 0.00 C ATOM 1835 C VAL B 708 17.202 6.605 -11.183 1.00 0.00 C ATOM 1836 O VAL B 708 17.758 7.397 -10.427 1.00 0.00 O ATOM 1837 CB VAL B 708 17.688 5.586 -13.472 1.00 0.00 C ATOM 1838 CG1 VAL B 708 18.227 5.993 -14.832 1.00 0.00 C ATOM 1839 CG2 VAL B 708 18.776 4.784 -12.780 1.00 0.00 C ATOM 0 H VAL B 708 18.925 8.060 -12.722 1.00 0.00 H new ATOM 0 HA VAL B 708 16.184 6.983 -12.984 1.00 0.00 H new ATOM 0 HB VAL B 708 16.802 4.955 -13.550 1.00 0.00 H new ATOM 0 HG11 VAL B 708 18.555 5.106 -15.374 1.00 0.00 H new ATOM 0 HG12 VAL B 708 17.443 6.495 -15.399 1.00 0.00 H new ATOM 0 HG13 VAL B 708 19.070 6.671 -14.701 1.00 0.00 H new ATOM 0 HG21 VAL B 708 19.047 3.928 -13.399 1.00 0.00 H new ATOM 0 HG22 VAL B 708 19.652 5.414 -12.629 1.00 0.00 H new ATOM 0 HG23 VAL B 708 18.411 4.433 -11.815 1.00 0.00 H new ATOM 1849 N ASP B 709 16.549 5.516 -10.763 1.00 0.00 N ATOM 1850 CA ASP B 709 16.234 5.183 -9.377 1.00 0.00 C ATOM 1851 C ASP B 709 15.851 6.415 -8.552 1.00 0.00 C ATOM 1852 O ASP B 709 15.017 7.193 -9.061 1.00 0.00 O ATOM 1853 CB ASP B 709 17.315 4.317 -8.712 1.00 0.00 C ATOM 1854 CG ASP B 709 18.728 4.910 -8.743 1.00 0.00 C ATOM 1855 OD1 ASP B 709 19.447 4.641 -9.732 1.00 0.00 O ATOM 1856 OD2 ASP B 709 19.085 5.625 -7.780 1.00 0.00 O ATOM 1857 OXT ASP B 709 16.379 6.581 -7.430 1.00 0.00 O ATOM 0 H ASP B 709 16.211 4.810 -11.417 1.00 0.00 H new ATOM 0 HA ASP B 709 15.342 4.558 -9.406 1.00 0.00 H new ATOM 0 HB2 ASP B 709 17.033 4.143 -7.674 1.00 0.00 H new ATOM 0 HB3 ASP B 709 17.334 3.345 -9.204 1.00 0.00 H new TER 1862 ASP B 709