USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 859 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 105 HIS : no HE2:sc= 1.24 K(o=3,f=-8.1!) USER MOD Set 1.2: A 107 HIS : no HE2:sc= 0.598 K(o=3,f=-11!) USER MOD Set 1.3: A 111 SER OG : rot 147:sc= 1.11 USER MOD Set 2.1: A 101 GLN : amide:sc= 0.972 K(o=2.1,f=1.3) USER MOD Set 2.2: A 103 ASN : amide:sc= 1.13 K(o=2.1,f=1.3) USER MOD Set 3.1: A 19 LYS NZ :NH3+ -158:sc= 2.25 (180deg=0.533) USER MOD Set 3.2: A 37 GLN : amide:sc= 0.093 K(o=2.3,f=-8.6) USER MOD Set 4.1: A 27 THR OG1 : rot -138:sc= 1.43 USER MOD Set 4.2: A 31 THR OG1 : rot 175:sc= 1.92 USER MOD Set 5.1: A 7 LYS NZ :NH3+ -159:sc= 3.53 (180deg=1.62) USER MOD Set 5.2: A 68 ASN : amide:sc= 0.906 K(o=4.4,f=-9.2!) USER MOD Single : A 1 ILE N :NH3+ -179:sc= 1.18 (180deg=1.1) USER MOD Single : A 2 SER OG : rot 107:sc= 1.07 USER MOD Single : A 5 GLN : amide:sc= 0.384 K(o=0.38,f=-4.4!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot -31:sc= 0.969 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -169:sc= 1.36 (180deg=0.713) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.019 USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 TYR OH : rot 32:sc= 1.22 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0284 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -171:sc= 3.13 (180deg=2.56) USER MOD Single : A 50 SER OG : rot -161:sc= 0.686 USER MOD Single : A 51 SER OG : rot -162:sc= 1.04 USER MOD Single : A 54 SER OG : rot 180:sc=-0.00394 USER MOD Single : A 56 ASN : amide:sc= -1.03 K(o=-1,f=-7!) USER MOD Single : A 59 THR OG1 : rot -16:sc= 1.09 USER MOD Single : A 66 THR OG1 : rot -150:sc= 1.06 USER MOD Single : A 72 SER OG : rot -37:sc= 0.965 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0.525 K(o=0.52,f=-2.6!) USER MOD Single : A 79 LYS NZ :NH3+ -178:sc= 1.39 (180deg=1.21) USER MOD Single : A 91 SER OG : rot -17:sc= 1.22 USER MOD Single : A 92 TYR OH : rot 90:sc= 1.01 USER MOD Single : A 100 GLN : amide:sc= 1.15 K(o=1.2,f=-0.43) USER MOD Single : A 104 HIS : no HE2:sc= 0.198 K(o=0.2,f=-1.6) USER MOD Single : A 108 LYS NZ :NH3+ 129:sc= 2.33 (180deg=-0.609) USER MOD Single : A 109 SER OG : rot -39:sc= 1.07 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 145:sc= 0.997 (180deg=0.215) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -0.124 8.836 12.640 1.00 0.00 N ATOM 2 CA ILE A 1 -1.536 8.408 12.751 1.00 0.00 C ATOM 3 C ILE A 1 -1.691 7.058 12.057 1.00 0.00 C ATOM 4 O ILE A 1 -1.245 6.947 10.924 1.00 0.00 O ATOM 5 CB ILE A 1 -2.490 9.470 12.153 1.00 0.00 C ATOM 6 CG1 ILE A 1 -2.299 10.826 12.879 1.00 0.00 C ATOM 7 CG2 ILE A 1 -3.951 8.994 12.266 1.00 0.00 C ATOM 8 CD1 ILE A 1 -3.067 11.995 12.252 1.00 0.00 C ATOM 0 H1 ILE A 1 0.001 9.748 13.124 1.00 0.00 H new ATOM 0 H2 ILE A 1 0.491 8.123 13.081 1.00 0.00 H new ATOM 0 H3 ILE A 1 0.130 8.939 11.637 1.00 0.00 H new ATOM 0 HA ILE A 1 -1.807 8.304 13.802 1.00 0.00 H new ATOM 0 HB ILE A 1 -2.253 9.607 11.098 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -2.614 10.716 13.917 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -1.237 11.071 12.892 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -4.613 9.749 11.842 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -4.072 8.058 11.721 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -4.203 8.838 13.315 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -2.876 12.904 12.823 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -2.737 12.137 11.223 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -4.135 11.777 12.264 1.00 0.00 H new ATOM 22 N SER A 2 -2.302 6.054 12.705 1.00 0.00 N ATOM 23 CA SER A 2 -2.556 4.725 12.122 1.00 0.00 C ATOM 24 C SER A 2 -4.047 4.400 12.003 1.00 0.00 C ATOM 25 O SER A 2 -4.868 4.849 12.801 1.00 0.00 O ATOM 26 CB SER A 2 -1.878 3.622 12.955 1.00 0.00 C ATOM 27 OG SER A 2 -0.730 3.137 12.293 1.00 0.00 O ATOM 0 H SER A 2 -2.639 6.143 13.664 1.00 0.00 H new ATOM 0 HA SER A 2 -2.134 4.756 11.118 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.602 4.015 13.933 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.579 2.805 13.126 1.00 0.00 H new ATOM 0 HG SER A 2 0.073 3.458 12.753 1.00 0.00 H new ATOM 33 N GLU A 3 -4.367 3.539 11.035 1.00 0.00 N ATOM 34 CA GLU A 3 -5.689 2.973 10.753 1.00 0.00 C ATOM 35 C GLU A 3 -5.666 1.465 11.057 1.00 0.00 C ATOM 36 O GLU A 3 -5.251 0.638 10.240 1.00 0.00 O ATOM 37 CB GLU A 3 -6.184 3.346 9.335 1.00 0.00 C ATOM 38 CG GLU A 3 -5.261 3.068 8.133 1.00 0.00 C ATOM 39 CD GLU A 3 -3.970 3.890 8.170 1.00 0.00 C ATOM 40 OE1 GLU A 3 -3.993 5.078 7.784 1.00 0.00 O ATOM 41 OE2 GLU A 3 -2.958 3.343 8.668 1.00 0.00 O ATOM 0 H GLU A 3 -3.662 3.195 10.383 1.00 0.00 H new ATOM 0 HA GLU A 3 -6.437 3.415 11.412 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -7.121 2.816 9.162 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -6.415 4.411 9.335 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -5.010 2.008 8.112 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -5.799 3.287 7.210 1.00 0.00 H new ATOM 48 N PHE A 4 -6.010 1.136 12.308 1.00 0.00 N ATOM 49 CA PHE A 4 -5.749 -0.147 12.963 1.00 0.00 C ATOM 50 C PHE A 4 -6.481 -1.334 12.330 1.00 0.00 C ATOM 51 O PHE A 4 -5.865 -2.371 12.097 1.00 0.00 O ATOM 52 CB PHE A 4 -6.080 -0.024 14.458 1.00 0.00 C ATOM 53 CG PHE A 4 -5.424 1.177 15.120 1.00 0.00 C ATOM 54 CD1 PHE A 4 -4.056 1.143 15.458 1.00 0.00 C ATOM 55 CD2 PHE A 4 -6.164 2.357 15.331 1.00 0.00 C ATOM 56 CE1 PHE A 4 -3.436 2.283 16.002 1.00 0.00 C ATOM 57 CE2 PHE A 4 -5.540 3.497 15.867 1.00 0.00 C ATOM 58 CZ PHE A 4 -4.176 3.459 16.205 1.00 0.00 C ATOM 0 H PHE A 4 -6.501 1.790 12.918 1.00 0.00 H new ATOM 0 HA PHE A 4 -4.690 -0.367 12.826 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -7.161 0.048 14.579 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -5.761 -0.932 14.970 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -3.483 0.241 15.299 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -7.214 2.386 15.080 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -2.389 2.253 16.264 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.109 4.402 16.019 1.00 0.00 H new ATOM 0 HZ PHE A 4 -3.698 4.334 16.620 1.00 0.00 H new ATOM 68 N GLN A 5 -7.768 -1.189 11.992 1.00 0.00 N ATOM 69 CA GLN A 5 -8.562 -2.246 11.355 1.00 0.00 C ATOM 70 C GLN A 5 -8.008 -2.655 9.981 1.00 0.00 C ATOM 71 O GLN A 5 -8.181 -3.793 9.554 1.00 0.00 O ATOM 72 CB GLN A 5 -10.044 -1.820 11.282 1.00 0.00 C ATOM 73 CG GLN A 5 -10.478 -0.934 10.093 1.00 0.00 C ATOM 74 CD GLN A 5 -9.737 0.398 9.933 1.00 0.00 C ATOM 75 OE1 GLN A 5 -9.098 0.922 10.835 1.00 0.00 O ATOM 76 NE2 GLN A 5 -9.781 0.984 8.753 1.00 0.00 N ATOM 0 H GLN A 5 -8.291 -0.329 12.154 1.00 0.00 H new ATOM 0 HA GLN A 5 -8.490 -3.139 11.976 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -10.653 -2.724 11.266 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -10.286 -1.289 12.202 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -10.352 -1.508 9.175 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -11.543 -0.723 10.194 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -10.310 0.558 7.992 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -9.286 1.863 8.601 1.00 0.00 H new ATOM 85 N LEU A 6 -7.306 -1.731 9.312 1.00 0.00 N ATOM 86 CA LEU A 6 -6.687 -1.936 8.009 1.00 0.00 C ATOM 87 C LEU A 6 -5.215 -2.372 8.122 1.00 0.00 C ATOM 88 O LEU A 6 -4.610 -2.688 7.102 1.00 0.00 O ATOM 89 CB LEU A 6 -6.902 -0.656 7.181 1.00 0.00 C ATOM 90 CG LEU A 6 -6.496 -0.717 5.694 1.00 0.00 C ATOM 91 CD1 LEU A 6 -7.112 -1.906 4.948 1.00 0.00 C ATOM 92 CD2 LEU A 6 -6.945 0.569 4.997 1.00 0.00 C ATOM 0 H LEU A 6 -7.152 -0.792 9.680 1.00 0.00 H new ATOM 0 HA LEU A 6 -7.161 -2.769 7.489 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -7.957 -0.389 7.235 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -6.344 0.153 7.653 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.413 -0.835 5.669 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.787 -1.891 3.908 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -6.789 -2.836 5.416 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -8.199 -1.838 4.990 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -6.661 0.531 3.945 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -8.028 0.667 5.077 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -6.467 1.426 5.472 1.00 0.00 H new ATOM 104 N LYS A 7 -4.643 -2.490 9.336 1.00 0.00 N ATOM 105 CA LYS A 7 -3.275 -3.012 9.535 1.00 0.00 C ATOM 106 C LYS A 7 -3.084 -4.459 9.077 1.00 0.00 C ATOM 107 O LYS A 7 -1.943 -4.913 9.042 1.00 0.00 O ATOM 108 CB LYS A 7 -2.808 -2.872 11.001 1.00 0.00 C ATOM 109 CG LYS A 7 -2.573 -1.417 11.420 1.00 0.00 C ATOM 110 CD LYS A 7 -1.335 -0.784 10.759 1.00 0.00 C ATOM 111 CE LYS A 7 -1.570 0.673 10.349 1.00 0.00 C ATOM 112 NZ LYS A 7 -2.603 0.786 9.293 1.00 0.00 N ATOM 0 H LYS A 7 -5.113 -2.228 10.203 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.654 -2.387 8.894 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.555 -3.317 11.658 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.886 -3.437 11.138 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.453 -0.827 11.166 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.461 -1.372 12.503 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.493 -0.832 11.450 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.059 -1.366 9.879 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.876 1.251 11.221 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.636 1.106 9.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.493 1.693 8.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.494 0.004 8.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.548 0.741 9.725 1.00 0.00 H new ATOM 126 N GLY A 8 -4.147 -5.184 8.716 1.00 0.00 N ATOM 127 CA GLY A 8 -4.066 -6.508 8.100 1.00 0.00 C ATOM 128 C GLY A 8 -3.737 -7.611 9.102 1.00 0.00 C ATOM 129 O GLY A 8 -2.803 -8.384 8.888 1.00 0.00 O ATOM 0 H GLY A 8 -5.105 -4.859 8.847 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -5.015 -6.736 7.615 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -3.305 -6.494 7.320 1.00 0.00 H new ATOM 133 N THR A 9 -4.487 -7.699 10.202 1.00 0.00 N ATOM 134 CA THR A 9 -4.398 -8.753 11.233 1.00 0.00 C ATOM 135 C THR A 9 -5.030 -10.076 10.748 1.00 0.00 C ATOM 136 O THR A 9 -5.692 -10.782 11.500 1.00 0.00 O ATOM 137 CB THR A 9 -5.030 -8.255 12.553 1.00 0.00 C ATOM 138 OG1 THR A 9 -4.661 -6.910 12.781 1.00 0.00 O ATOM 139 CG2 THR A 9 -4.550 -9.026 13.787 1.00 0.00 C ATOM 0 H THR A 9 -5.208 -7.010 10.415 1.00 0.00 H new ATOM 0 HA THR A 9 -3.346 -8.967 11.422 1.00 0.00 H new ATOM 0 HB THR A 9 -6.104 -8.393 12.430 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.065 -6.597 13.617 1.00 0.00 H new ATOM 0 HG21 THR A 9 -5.033 -8.624 14.678 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.806 -10.080 13.680 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.469 -8.923 13.883 1.00 0.00 H new ATOM 147 N THR A 10 -4.860 -10.409 9.462 1.00 0.00 N ATOM 148 CA THR A 10 -5.486 -11.569 8.807 1.00 0.00 C ATOM 149 C THR A 10 -4.804 -12.908 9.118 1.00 0.00 C ATOM 150 O THR A 10 -5.295 -13.944 8.667 1.00 0.00 O ATOM 151 CB THR A 10 -5.543 -11.359 7.283 1.00 0.00 C ATOM 152 OG1 THR A 10 -6.288 -12.403 6.703 1.00 0.00 O ATOM 153 CG2 THR A 10 -4.163 -11.340 6.624 1.00 0.00 C ATOM 0 H THR A 10 -4.269 -9.867 8.831 1.00 0.00 H new ATOM 0 HA THR A 10 -6.492 -11.632 9.221 1.00 0.00 H new ATOM 0 HB THR A 10 -6.004 -10.385 7.118 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.178 -13.218 7.236 1.00 0.00 H new ATOM 0 HG21 THR A 10 -4.275 -11.188 5.550 1.00 0.00 H new ATOM 0 HG22 THR A 10 -3.570 -10.528 7.045 1.00 0.00 H new ATOM 0 HG23 THR A 10 -3.660 -12.290 6.806 1.00 0.00 H new ATOM 161 N TYR A 11 -3.667 -12.901 9.824 1.00 0.00 N ATOM 162 CA TYR A 11 -2.928 -14.103 10.197 1.00 0.00 C ATOM 163 C TYR A 11 -2.101 -13.872 11.471 1.00 0.00 C ATOM 164 O TYR A 11 -1.987 -12.741 11.949 1.00 0.00 O ATOM 165 CB TYR A 11 -2.037 -14.545 9.020 1.00 0.00 C ATOM 166 CG TYR A 11 -1.752 -16.031 9.041 1.00 0.00 C ATOM 167 CD1 TYR A 11 -2.768 -16.928 8.658 1.00 0.00 C ATOM 168 CD2 TYR A 11 -0.514 -16.520 9.499 1.00 0.00 C ATOM 169 CE1 TYR A 11 -2.555 -18.316 8.742 1.00 0.00 C ATOM 170 CE2 TYR A 11 -0.294 -17.907 9.583 1.00 0.00 C ATOM 171 CZ TYR A 11 -1.314 -18.808 9.208 1.00 0.00 C ATOM 172 OH TYR A 11 -1.104 -20.147 9.312 1.00 0.00 O ATOM 0 H TYR A 11 -3.230 -12.041 10.156 1.00 0.00 H new ATOM 0 HA TYR A 11 -3.637 -14.901 10.418 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -2.524 -14.284 8.081 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -1.096 -13.996 9.054 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -3.713 -16.549 8.299 1.00 0.00 H new ATOM 0 HD2 TYR A 11 0.266 -15.831 9.786 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -3.336 -19.003 8.452 1.00 0.00 H new ATOM 0 HE2 TYR A 11 0.656 -18.283 9.935 1.00 0.00 H new ATOM 0 HH TYR A 11 -0.198 -20.311 9.647 1.00 0.00 H new ATOM 182 N GLY A 12 -1.496 -14.944 11.997 1.00 0.00 N ATOM 183 CA GLY A 12 -0.537 -14.875 13.098 1.00 0.00 C ATOM 184 C GLY A 12 0.677 -14.003 12.752 1.00 0.00 C ATOM 185 O GLY A 12 1.147 -13.998 11.612 1.00 0.00 O ATOM 0 H GLY A 12 -1.663 -15.893 11.664 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.030 -14.474 13.983 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.201 -15.881 13.349 1.00 0.00 H new ATOM 189 N VAL A 13 1.189 -13.270 13.750 1.00 0.00 N ATOM 190 CA VAL A 13 2.288 -12.309 13.591 1.00 0.00 C ATOM 191 C VAL A 13 3.665 -12.986 13.575 1.00 0.00 C ATOM 192 O VAL A 13 4.308 -13.231 14.605 1.00 0.00 O ATOM 193 CB VAL A 13 2.139 -11.096 14.531 1.00 0.00 C ATOM 194 CG1 VAL A 13 1.946 -11.445 16.012 1.00 0.00 C ATOM 195 CG2 VAL A 13 3.304 -10.118 14.360 1.00 0.00 C ATOM 0 H VAL A 13 0.844 -13.330 14.708 1.00 0.00 H new ATOM 0 HA VAL A 13 2.214 -11.874 12.594 1.00 0.00 H new ATOM 0 HB VAL A 13 1.209 -10.619 14.221 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.851 -10.527 16.593 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.043 -12.044 16.130 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.807 -12.012 16.367 1.00 0.00 H new ATOM 0 HG21 VAL A 13 3.172 -9.273 15.035 1.00 0.00 H new ATOM 0 HG22 VAL A 13 4.241 -10.624 14.591 1.00 0.00 H new ATOM 0 HG23 VAL A 13 3.330 -9.759 13.331 1.00 0.00 H new ATOM 205 N CYS A 14 4.104 -13.281 12.348 1.00 0.00 N ATOM 206 CA CYS A 14 5.454 -13.680 11.980 1.00 0.00 C ATOM 207 C CYS A 14 5.797 -13.204 10.559 1.00 0.00 C ATOM 208 O CYS A 14 4.922 -12.852 9.769 1.00 0.00 O ATOM 209 CB CYS A 14 5.598 -15.207 12.136 1.00 0.00 C ATOM 210 SG CYS A 14 5.106 -16.304 10.765 1.00 0.00 S ATOM 0 H CYS A 14 3.483 -13.243 11.540 1.00 0.00 H new ATOM 0 HA CYS A 14 6.171 -13.203 12.649 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.644 -15.414 12.360 1.00 0.00 H new ATOM 0 HB3 CYS A 14 5.020 -15.501 13.012 1.00 0.00 H new ATOM 215 N SER A 15 7.086 -13.227 10.224 1.00 0.00 N ATOM 216 CA SER A 15 7.603 -13.042 8.859 1.00 0.00 C ATOM 217 C SER A 15 8.775 -13.967 8.515 1.00 0.00 C ATOM 218 O SER A 15 9.105 -14.113 7.341 1.00 0.00 O ATOM 219 CB SER A 15 8.068 -11.596 8.680 1.00 0.00 C ATOM 220 OG SER A 15 9.062 -11.275 9.636 1.00 0.00 O ATOM 0 H SER A 15 7.825 -13.379 10.911 1.00 0.00 H new ATOM 0 HA SER A 15 6.781 -13.289 8.187 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.464 -11.456 7.674 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.220 -10.919 8.786 1.00 0.00 H new ATOM 0 HG SER A 15 9.351 -10.347 9.508 1.00 0.00 H new ATOM 226 N LYS A 16 9.394 -14.582 9.534 1.00 0.00 N ATOM 227 CA LYS A 16 10.666 -15.311 9.554 1.00 0.00 C ATOM 228 C LYS A 16 11.852 -14.563 8.925 1.00 0.00 C ATOM 229 O LYS A 16 12.827 -14.284 9.616 1.00 0.00 O ATOM 230 CB LYS A 16 10.486 -16.725 8.972 1.00 0.00 C ATOM 231 CG LYS A 16 11.588 -17.662 9.497 1.00 0.00 C ATOM 232 CD LYS A 16 11.823 -18.879 8.594 1.00 0.00 C ATOM 233 CE LYS A 16 10.549 -19.694 8.354 1.00 0.00 C ATOM 234 NZ LYS A 16 10.801 -20.815 7.426 1.00 0.00 N ATOM 0 H LYS A 16 8.969 -14.579 10.461 1.00 0.00 H new ATOM 0 HA LYS A 16 10.945 -15.397 10.604 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.506 -17.116 9.245 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.521 -16.685 7.883 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.518 -17.102 9.591 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.320 -18.005 10.496 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.220 -18.544 7.636 1.00 0.00 H new ATOM 0 HD3 LYS A 16 12.580 -19.520 9.046 1.00 0.00 H new ATOM 0 HE2 LYS A 16 10.177 -20.080 9.303 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.772 -19.048 7.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.895 -21.235 7.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.306 -20.464 6.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.380 -21.536 7.902 1.00 0.00 H new ATOM 248 N ALA A 17 11.804 -14.286 7.623 1.00 0.00 N ATOM 249 CA ALA A 17 12.963 -13.962 6.805 1.00 0.00 C ATOM 250 C ALA A 17 12.888 -12.545 6.218 1.00 0.00 C ATOM 251 O ALA A 17 12.531 -12.356 5.059 1.00 0.00 O ATOM 252 CB ALA A 17 13.117 -15.062 5.749 1.00 0.00 C ATOM 0 H ALA A 17 10.930 -14.282 7.096 1.00 0.00 H new ATOM 0 HA ALA A 17 13.863 -13.941 7.420 1.00 0.00 H new ATOM 0 HB1 ALA A 17 13.980 -14.844 5.120 1.00 0.00 H new ATOM 0 HB2 ALA A 17 13.261 -16.023 6.243 1.00 0.00 H new ATOM 0 HB3 ALA A 17 12.219 -15.102 5.132 1.00 0.00 H new ATOM 258 N PHE A 18 13.290 -11.545 7.011 1.00 0.00 N ATOM 259 CA PHE A 18 13.572 -10.178 6.556 1.00 0.00 C ATOM 260 C PHE A 18 14.937 -9.698 7.088 1.00 0.00 C ATOM 261 O PHE A 18 15.451 -10.240 8.067 1.00 0.00 O ATOM 262 CB PHE A 18 12.468 -9.206 7.019 1.00 0.00 C ATOM 263 CG PHE A 18 11.220 -9.111 6.156 1.00 0.00 C ATOM 264 CD1 PHE A 18 10.267 -10.145 6.157 1.00 0.00 C ATOM 265 CD2 PHE A 18 10.962 -7.938 5.415 1.00 0.00 C ATOM 266 CE1 PHE A 18 9.056 -9.995 5.455 1.00 0.00 C ATOM 267 CE2 PHE A 18 9.757 -7.792 4.703 1.00 0.00 C ATOM 268 CZ PHE A 18 8.797 -8.817 4.734 1.00 0.00 C ATOM 0 H PHE A 18 13.432 -11.667 8.014 1.00 0.00 H new ATOM 0 HA PHE A 18 13.598 -10.190 5.466 1.00 0.00 H new ATOM 0 HB2 PHE A 18 12.162 -9.496 8.024 1.00 0.00 H new ATOM 0 HB3 PHE A 18 12.904 -8.210 7.093 1.00 0.00 H new ATOM 0 HD1 PHE A 18 10.465 -11.058 6.699 1.00 0.00 H new ATOM 0 HD2 PHE A 18 11.696 -7.146 5.394 1.00 0.00 H new ATOM 0 HE1 PHE A 18 8.323 -10.788 5.471 1.00 0.00 H new ATOM 0 HE2 PHE A 18 9.571 -6.893 4.134 1.00 0.00 H new ATOM 0 HZ PHE A 18 7.863 -8.700 4.205 1.00 0.00 H new ATOM 278 N LYS A 19 15.492 -8.642 6.474 1.00 0.00 N ATOM 279 CA LYS A 19 16.627 -7.841 6.966 1.00 0.00 C ATOM 280 C LYS A 19 16.572 -6.423 6.355 1.00 0.00 C ATOM 281 O LYS A 19 16.073 -6.258 5.243 1.00 0.00 O ATOM 282 CB LYS A 19 17.926 -8.603 6.617 1.00 0.00 C ATOM 283 CG LYS A 19 19.201 -7.764 6.757 1.00 0.00 C ATOM 284 CD LYS A 19 20.474 -8.516 6.345 1.00 0.00 C ATOM 285 CE LYS A 19 21.632 -7.558 6.014 1.00 0.00 C ATOM 286 NZ LYS A 19 21.296 -6.637 4.896 1.00 0.00 N ATOM 0 H LYS A 19 15.145 -8.305 5.576 1.00 0.00 H new ATOM 0 HA LYS A 19 16.588 -7.707 8.047 1.00 0.00 H new ATOM 0 HB2 LYS A 19 18.006 -9.477 7.263 1.00 0.00 H new ATOM 0 HB3 LYS A 19 17.856 -8.969 5.593 1.00 0.00 H new ATOM 0 HG2 LYS A 19 19.105 -6.866 6.147 1.00 0.00 H new ATOM 0 HG3 LYS A 19 19.300 -7.437 7.792 1.00 0.00 H new ATOM 0 HD2 LYS A 19 20.776 -9.184 7.151 1.00 0.00 H new ATOM 0 HD3 LYS A 19 20.261 -9.140 5.477 1.00 0.00 H new ATOM 0 HE2 LYS A 19 21.884 -6.975 6.900 1.00 0.00 H new ATOM 0 HE3 LYS A 19 22.517 -8.137 5.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 22.173 -6.284 4.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 20.737 -7.147 4.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 20.743 -5.835 5.261 1.00 0.00 H new ATOM 300 N PHE A 20 17.119 -5.404 7.036 1.00 0.00 N ATOM 301 CA PHE A 20 17.325 -4.062 6.463 1.00 0.00 C ATOM 302 C PHE A 20 18.306 -4.095 5.269 1.00 0.00 C ATOM 303 O PHE A 20 19.402 -4.657 5.374 1.00 0.00 O ATOM 304 CB PHE A 20 17.871 -3.094 7.533 1.00 0.00 C ATOM 305 CG PHE A 20 16.904 -2.602 8.603 1.00 0.00 C ATOM 306 CD1 PHE A 20 15.702 -1.962 8.242 1.00 0.00 C ATOM 307 CD2 PHE A 20 17.265 -2.671 9.965 1.00 0.00 C ATOM 308 CE1 PHE A 20 14.858 -1.424 9.234 1.00 0.00 C ATOM 309 CE2 PHE A 20 16.425 -2.125 10.955 1.00 0.00 C ATOM 310 CZ PHE A 20 15.218 -1.506 10.590 1.00 0.00 C ATOM 0 H PHE A 20 17.432 -5.487 8.003 1.00 0.00 H new ATOM 0 HA PHE A 20 16.355 -3.714 6.109 1.00 0.00 H new ATOM 0 HB2 PHE A 20 18.705 -3.585 8.035 1.00 0.00 H new ATOM 0 HB3 PHE A 20 18.276 -2.222 7.020 1.00 0.00 H new ATOM 0 HD1 PHE A 20 15.426 -1.883 7.201 1.00 0.00 H new ATOM 0 HD2 PHE A 20 18.192 -3.146 10.251 1.00 0.00 H new ATOM 0 HE1 PHE A 20 13.931 -0.947 8.951 1.00 0.00 H new ATOM 0 HE2 PHE A 20 16.709 -2.182 11.995 1.00 0.00 H new ATOM 0 HZ PHE A 20 14.569 -1.095 11.349 1.00 0.00 H new ATOM 320 N LEU A 21 17.939 -3.450 4.155 1.00 0.00 N ATOM 321 CA LEU A 21 18.805 -3.278 2.975 1.00 0.00 C ATOM 322 C LEU A 21 19.107 -1.786 2.730 1.00 0.00 C ATOM 323 O LEU A 21 20.234 -1.434 2.390 1.00 0.00 O ATOM 324 CB LEU A 21 18.153 -3.997 1.772 1.00 0.00 C ATOM 325 CG LEU A 21 19.070 -4.433 0.603 1.00 0.00 C ATOM 326 CD1 LEU A 21 19.931 -3.342 -0.032 1.00 0.00 C ATOM 327 CD2 LEU A 21 20.014 -5.579 0.981 1.00 0.00 C ATOM 0 H LEU A 21 17.018 -3.025 4.043 1.00 0.00 H new ATOM 0 HA LEU A 21 19.779 -3.740 3.138 1.00 0.00 H new ATOM 0 HB2 LEU A 21 17.646 -4.886 2.148 1.00 0.00 H new ATOM 0 HB3 LEU A 21 17.384 -3.339 1.366 1.00 0.00 H new ATOM 0 HG LEU A 21 18.331 -4.745 -0.135 1.00 0.00 H new ATOM 0 HD11 LEU A 21 20.527 -3.772 -0.837 1.00 0.00 H new ATOM 0 HD12 LEU A 21 19.288 -2.559 -0.434 1.00 0.00 H new ATOM 0 HD13 LEU A 21 20.593 -2.916 0.722 1.00 0.00 H new ATOM 0 HD21 LEU A 21 20.631 -5.840 0.121 1.00 0.00 H new ATOM 0 HD22 LEU A 21 20.654 -5.266 1.806 1.00 0.00 H new ATOM 0 HD23 LEU A 21 19.429 -6.447 1.285 1.00 0.00 H new ATOM 339 N GLY A 22 18.138 -0.904 2.997 1.00 0.00 N ATOM 340 CA GLY A 22 18.244 0.549 2.885 1.00 0.00 C ATOM 341 C GLY A 22 17.592 1.215 4.092 1.00 0.00 C ATOM 342 O GLY A 22 16.367 1.258 4.193 1.00 0.00 O ATOM 0 H GLY A 22 17.215 -1.202 3.312 1.00 0.00 H new ATOM 0 HA2 GLY A 22 19.292 0.841 2.820 1.00 0.00 H new ATOM 0 HA3 GLY A 22 17.761 0.887 1.968 1.00 0.00 H new ATOM 346 N THR A 23 18.404 1.693 5.033 1.00 0.00 N ATOM 347 CA THR A 23 17.939 2.350 6.260 1.00 0.00 C ATOM 348 C THR A 23 17.092 3.603 5.967 1.00 0.00 C ATOM 349 O THR A 23 17.263 4.233 4.922 1.00 0.00 O ATOM 350 CB THR A 23 19.147 2.684 7.154 1.00 0.00 C ATOM 351 OG1 THR A 23 20.195 3.243 6.393 1.00 0.00 O ATOM 352 CG2 THR A 23 19.705 1.427 7.822 1.00 0.00 C ATOM 0 H THR A 23 19.420 1.635 4.966 1.00 0.00 H new ATOM 0 HA THR A 23 17.284 1.658 6.789 1.00 0.00 H new ATOM 0 HB THR A 23 18.792 3.390 7.905 1.00 0.00 H new ATOM 0 HG1 THR A 23 20.952 3.449 6.980 1.00 0.00 H new ATOM 0 HG21 THR A 23 20.557 1.695 8.447 1.00 0.00 H new ATOM 0 HG22 THR A 23 18.932 0.969 8.439 1.00 0.00 H new ATOM 0 HG23 THR A 23 20.024 0.720 7.057 1.00 0.00 H new ATOM 360 N PRO A 24 16.151 3.970 6.866 1.00 0.00 N ATOM 361 CA PRO A 24 15.140 4.981 6.564 1.00 0.00 C ATOM 362 C PRO A 24 15.728 6.381 6.313 1.00 0.00 C ATOM 363 O PRO A 24 16.641 6.821 7.015 1.00 0.00 O ATOM 364 CB PRO A 24 14.151 4.963 7.739 1.00 0.00 C ATOM 365 CG PRO A 24 14.916 4.283 8.872 1.00 0.00 C ATOM 366 CD PRO A 24 15.860 3.332 8.143 1.00 0.00 C ATOM 0 HA PRO A 24 14.641 4.742 5.625 1.00 0.00 H new ATOM 0 HB2 PRO A 24 13.845 5.972 8.016 1.00 0.00 H new ATOM 0 HB3 PRO A 24 13.244 4.413 7.486 1.00 0.00 H new ATOM 0 HG2 PRO A 24 15.463 5.006 9.477 1.00 0.00 H new ATOM 0 HG3 PRO A 24 14.246 3.747 9.544 1.00 0.00 H new ATOM 0 HD2 PRO A 24 16.772 3.169 8.717 1.00 0.00 H new ATOM 0 HD3 PRO A 24 15.397 2.356 7.997 1.00 0.00 H new ATOM 374 N ALA A 25 15.147 7.102 5.347 1.00 0.00 N ATOM 375 CA ALA A 25 15.467 8.495 5.021 1.00 0.00 C ATOM 376 C ALA A 25 14.187 9.288 4.705 1.00 0.00 C ATOM 377 O ALA A 25 13.313 8.782 4.003 1.00 0.00 O ATOM 378 CB ALA A 25 16.431 8.504 3.829 1.00 0.00 C ATOM 0 H ALA A 25 14.415 6.717 4.750 1.00 0.00 H new ATOM 0 HA ALA A 25 15.941 8.977 5.876 1.00 0.00 H new ATOM 0 HB1 ALA A 25 16.681 9.533 3.571 1.00 0.00 H new ATOM 0 HB2 ALA A 25 17.341 7.965 4.093 1.00 0.00 H new ATOM 0 HB3 ALA A 25 15.957 8.021 2.974 1.00 0.00 H new ATOM 384 N ASP A 26 14.049 10.511 5.239 1.00 0.00 N ATOM 385 CA ASP A 26 12.834 11.315 5.050 1.00 0.00 C ATOM 386 C ASP A 26 12.667 11.805 3.599 1.00 0.00 C ATOM 387 O ASP A 26 13.633 12.186 2.937 1.00 0.00 O ATOM 388 CB ASP A 26 12.790 12.481 6.046 1.00 0.00 C ATOM 389 CG ASP A 26 11.380 13.058 6.230 1.00 0.00 C ATOM 390 OD1 ASP A 26 10.901 13.771 5.318 1.00 0.00 O ATOM 391 OD2 ASP A 26 10.797 12.809 7.312 1.00 0.00 O ATOM 0 H ASP A 26 14.766 10.965 5.806 1.00 0.00 H new ATOM 0 HA ASP A 26 11.985 10.662 5.252 1.00 0.00 H new ATOM 0 HB2 ASP A 26 13.167 12.142 7.011 1.00 0.00 H new ATOM 0 HB3 ASP A 26 13.458 13.271 5.702 1.00 0.00 H new ATOM 396 N THR A 27 11.423 11.809 3.114 1.00 0.00 N ATOM 397 CA THR A 27 11.029 12.220 1.760 1.00 0.00 C ATOM 398 C THR A 27 10.929 13.731 1.559 1.00 0.00 C ATOM 399 O THR A 27 10.776 14.171 0.420 1.00 0.00 O ATOM 400 CB THR A 27 9.652 11.632 1.411 1.00 0.00 C ATOM 401 OG1 THR A 27 8.681 12.040 2.358 1.00 0.00 O ATOM 402 CG2 THR A 27 9.701 10.111 1.332 1.00 0.00 C ATOM 0 H THR A 27 10.626 11.513 3.678 1.00 0.00 H new ATOM 0 HA THR A 27 11.823 11.845 1.114 1.00 0.00 H new ATOM 0 HB THR A 27 9.370 12.013 0.429 1.00 0.00 H new ATOM 0 HG1 THR A 27 8.103 11.281 2.582 1.00 0.00 H new ATOM 0 HG21 THR A 27 8.711 9.728 1.084 1.00 0.00 H new ATOM 0 HG22 THR A 27 10.411 9.809 0.562 1.00 0.00 H new ATOM 0 HG23 THR A 27 10.016 9.707 2.294 1.00 0.00 H new ATOM 410 N GLY A 28 10.928 14.527 2.635 1.00 0.00 N ATOM 411 CA GLY A 28 10.549 15.940 2.597 1.00 0.00 C ATOM 412 C GLY A 28 9.028 16.163 2.577 1.00 0.00 C ATOM 413 O GLY A 28 8.586 17.296 2.750 1.00 0.00 O ATOM 0 H GLY A 28 11.193 14.203 3.565 1.00 0.00 H new ATOM 0 HA2 GLY A 28 10.972 16.446 3.465 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.988 16.403 1.713 1.00 0.00 H new ATOM 417 N HIS A 29 8.226 15.099 2.426 1.00 0.00 N ATOM 418 CA HIS A 29 6.762 15.127 2.514 1.00 0.00 C ATOM 419 C HIS A 29 6.252 14.683 3.896 1.00 0.00 C ATOM 420 O HIS A 29 5.045 14.637 4.122 1.00 0.00 O ATOM 421 CB HIS A 29 6.164 14.275 1.383 1.00 0.00 C ATOM 422 CG HIS A 29 6.494 14.813 0.014 1.00 0.00 C ATOM 423 ND1 HIS A 29 7.455 14.327 -0.844 1.00 0.00 N ATOM 424 CD2 HIS A 29 5.924 15.908 -0.579 1.00 0.00 C ATOM 425 CE1 HIS A 29 7.452 15.110 -1.938 1.00 0.00 C ATOM 426 NE2 HIS A 29 6.536 16.083 -1.823 1.00 0.00 N ATOM 0 H HIS A 29 8.592 14.167 2.233 1.00 0.00 H new ATOM 0 HA HIS A 29 6.430 16.158 2.391 1.00 0.00 H new ATOM 0 HB2 HIS A 29 6.536 13.254 1.467 1.00 0.00 H new ATOM 0 HB3 HIS A 29 5.081 14.231 1.500 1.00 0.00 H new ATOM 0 HD2 HIS A 29 5.142 16.525 -0.161 1.00 0.00 H new ATOM 0 HE1 HIS A 29 8.099 14.974 -2.792 1.00 0.00 H new ATOM 0 HE2 HIS A 29 6.327 16.808 -2.509 1.00 0.00 H new ATOM 434 N GLY A 30 7.164 14.373 4.828 1.00 0.00 N ATOM 435 CA GLY A 30 6.858 13.981 6.201 1.00 0.00 C ATOM 436 C GLY A 30 7.021 12.482 6.469 1.00 0.00 C ATOM 437 O GLY A 30 6.977 12.088 7.633 1.00 0.00 O ATOM 0 H GLY A 30 8.166 14.390 4.636 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.507 14.534 6.880 1.00 0.00 H new ATOM 0 HA3 GLY A 30 5.833 14.272 6.432 1.00 0.00 H new ATOM 441 N THR A 31 7.238 11.671 5.430 1.00 0.00 N ATOM 442 CA THR A 31 7.399 10.209 5.468 1.00 0.00 C ATOM 443 C THR A 31 8.870 9.790 5.352 1.00 0.00 C ATOM 444 O THR A 31 9.709 10.593 4.956 1.00 0.00 O ATOM 445 CB THR A 31 6.603 9.580 4.313 1.00 0.00 C ATOM 446 OG1 THR A 31 6.986 10.150 3.076 1.00 0.00 O ATOM 447 CG2 THR A 31 5.097 9.774 4.503 1.00 0.00 C ATOM 0 H THR A 31 7.311 12.037 4.481 1.00 0.00 H new ATOM 0 HA THR A 31 7.025 9.858 6.430 1.00 0.00 H new ATOM 0 HB THR A 31 6.825 8.513 4.312 1.00 0.00 H new ATOM 0 HG1 THR A 31 6.528 9.684 2.345 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.563 9.318 3.669 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.784 9.303 5.435 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.869 10.839 4.540 1.00 0.00 H new ATOM 455 N VAL A 32 9.189 8.523 5.646 1.00 0.00 N ATOM 456 CA VAL A 32 10.516 7.909 5.456 1.00 0.00 C ATOM 457 C VAL A 32 10.457 6.803 4.406 1.00 0.00 C ATOM 458 O VAL A 32 9.701 5.849 4.573 1.00 0.00 O ATOM 459 CB VAL A 32 11.130 7.340 6.759 1.00 0.00 C ATOM 460 CG1 VAL A 32 11.851 8.431 7.556 1.00 0.00 C ATOM 461 CG2 VAL A 32 10.130 6.610 7.668 1.00 0.00 C ATOM 0 H VAL A 32 8.508 7.872 6.037 1.00 0.00 H new ATOM 0 HA VAL A 32 11.165 8.717 5.118 1.00 0.00 H new ATOM 0 HB VAL A 32 11.846 6.590 6.423 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.271 8.000 8.465 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.653 8.854 6.951 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.143 9.216 7.820 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.645 6.245 8.556 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.339 7.298 7.965 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.695 5.768 7.129 1.00 0.00 H new ATOM 471 N VAL A 33 11.284 6.908 3.359 1.00 0.00 N ATOM 472 CA VAL A 33 11.594 5.799 2.445 1.00 0.00 C ATOM 473 C VAL A 33 12.604 4.851 3.103 1.00 0.00 C ATOM 474 O VAL A 33 13.619 5.296 3.638 1.00 0.00 O ATOM 475 CB VAL A 33 12.110 6.285 1.073 1.00 0.00 C ATOM 476 CG1 VAL A 33 10.937 6.740 0.202 1.00 0.00 C ATOM 477 CG2 VAL A 33 13.162 7.403 1.119 1.00 0.00 C ATOM 0 H VAL A 33 11.763 7.776 3.119 1.00 0.00 H new ATOM 0 HA VAL A 33 10.665 5.263 2.252 1.00 0.00 H new ATOM 0 HB VAL A 33 12.617 5.419 0.647 1.00 0.00 H new ATOM 0 HG11 VAL A 33 11.311 7.081 -0.763 1.00 0.00 H new ATOM 0 HG12 VAL A 33 10.251 5.907 0.051 1.00 0.00 H new ATOM 0 HG13 VAL A 33 10.412 7.557 0.697 1.00 0.00 H new ATOM 0 HG21 VAL A 33 13.455 7.669 0.103 1.00 0.00 H new ATOM 0 HG22 VAL A 33 12.742 8.278 1.616 1.00 0.00 H new ATOM 0 HG23 VAL A 33 14.036 7.057 1.670 1.00 0.00 H new ATOM 487 N LEU A 34 12.289 3.552 3.096 1.00 0.00 N ATOM 488 CA LEU A 34 12.893 2.486 3.901 1.00 0.00 C ATOM 489 C LEU A 34 12.907 1.178 3.084 1.00 0.00 C ATOM 490 O LEU A 34 11.850 0.698 2.685 1.00 0.00 O ATOM 491 CB LEU A 34 11.986 2.356 5.145 1.00 0.00 C ATOM 492 CG LEU A 34 12.461 1.497 6.331 1.00 0.00 C ATOM 493 CD1 LEU A 34 11.260 1.296 7.262 1.00 0.00 C ATOM 494 CD2 LEU A 34 13.007 0.114 5.976 1.00 0.00 C ATOM 0 H LEU A 34 11.555 3.193 2.486 1.00 0.00 H new ATOM 0 HA LEU A 34 13.923 2.699 4.186 1.00 0.00 H new ATOM 0 HB2 LEU A 34 11.799 3.362 5.522 1.00 0.00 H new ATOM 0 HB3 LEU A 34 11.028 1.956 4.813 1.00 0.00 H new ATOM 0 HG LEU A 34 13.294 2.039 6.779 1.00 0.00 H new ATOM 0 HD11 LEU A 34 11.560 0.690 8.117 1.00 0.00 H new ATOM 0 HD12 LEU A 34 10.904 2.265 7.611 1.00 0.00 H new ATOM 0 HD13 LEU A 34 10.461 0.790 6.721 1.00 0.00 H new ATOM 0 HD21 LEU A 34 13.311 -0.402 6.887 1.00 0.00 H new ATOM 0 HD22 LEU A 34 12.232 -0.465 5.473 1.00 0.00 H new ATOM 0 HD23 LEU A 34 13.867 0.221 5.315 1.00 0.00 H new ATOM 506 N GLU A 35 14.071 0.570 2.835 1.00 0.00 N ATOM 507 CA GLU A 35 14.179 -0.694 2.096 1.00 0.00 C ATOM 508 C GLU A 35 14.568 -1.879 2.988 1.00 0.00 C ATOM 509 O GLU A 35 15.544 -1.829 3.748 1.00 0.00 O ATOM 510 CB GLU A 35 15.182 -0.555 0.945 1.00 0.00 C ATOM 511 CG GLU A 35 14.925 -1.608 -0.130 1.00 0.00 C ATOM 512 CD GLU A 35 15.969 -1.534 -1.230 1.00 0.00 C ATOM 513 OE1 GLU A 35 17.092 -2.043 -1.014 1.00 0.00 O ATOM 514 OE2 GLU A 35 15.666 -1.032 -2.337 1.00 0.00 O ATOM 0 H GLU A 35 14.970 0.942 3.142 1.00 0.00 H new ATOM 0 HA GLU A 35 13.187 -0.907 1.698 1.00 0.00 H new ATOM 0 HB2 GLU A 35 15.106 0.441 0.510 1.00 0.00 H new ATOM 0 HB3 GLU A 35 16.197 -0.660 1.327 1.00 0.00 H new ATOM 0 HG2 GLU A 35 14.936 -2.601 0.320 1.00 0.00 H new ATOM 0 HG3 GLU A 35 13.932 -1.462 -0.556 1.00 0.00 H new ATOM 521 N LEU A 36 13.852 -2.994 2.813 1.00 0.00 N ATOM 522 CA LEU A 36 14.217 -4.286 3.387 1.00 0.00 C ATOM 523 C LEU A 36 14.403 -5.327 2.276 1.00 0.00 C ATOM 524 O LEU A 36 13.874 -5.194 1.170 1.00 0.00 O ATOM 525 CB LEU A 36 13.159 -4.725 4.418 1.00 0.00 C ATOM 526 CG LEU A 36 13.013 -3.772 5.630 1.00 0.00 C ATOM 527 CD1 LEU A 36 11.579 -3.253 5.745 1.00 0.00 C ATOM 528 CD2 LEU A 36 13.365 -4.464 6.949 1.00 0.00 C ATOM 0 H LEU A 36 12.994 -3.022 2.262 1.00 0.00 H new ATOM 0 HA LEU A 36 15.169 -4.194 3.910 1.00 0.00 H new ATOM 0 HB2 LEU A 36 12.194 -4.807 3.918 1.00 0.00 H new ATOM 0 HB3 LEU A 36 13.415 -5.720 4.782 1.00 0.00 H new ATOM 0 HG LEU A 36 13.706 -2.949 5.456 1.00 0.00 H new ATOM 0 HD11 LEU A 36 11.501 -2.586 6.603 1.00 0.00 H new ATOM 0 HD12 LEU A 36 11.315 -2.709 4.838 1.00 0.00 H new ATOM 0 HD13 LEU A 36 10.897 -4.093 5.876 1.00 0.00 H new ATOM 0 HD21 LEU A 36 13.249 -3.759 7.772 1.00 0.00 H new ATOM 0 HD22 LEU A 36 12.700 -5.314 7.103 1.00 0.00 H new ATOM 0 HD23 LEU A 36 14.397 -4.813 6.913 1.00 0.00 H new ATOM 540 N GLN A 37 15.130 -6.395 2.607 1.00 0.00 N ATOM 541 CA GLN A 37 15.228 -7.617 1.815 1.00 0.00 C ATOM 542 C GLN A 37 14.533 -8.761 2.554 1.00 0.00 C ATOM 543 O GLN A 37 14.608 -8.852 3.782 1.00 0.00 O ATOM 544 CB GLN A 37 16.700 -7.942 1.492 1.00 0.00 C ATOM 545 CG GLN A 37 17.504 -8.408 2.723 1.00 0.00 C ATOM 546 CD GLN A 37 18.981 -8.669 2.454 1.00 0.00 C ATOM 547 OE1 GLN A 37 19.858 -8.121 3.112 1.00 0.00 O ATOM 548 NE2 GLN A 37 19.324 -9.509 1.496 1.00 0.00 N ATOM 0 H GLN A 37 15.684 -6.432 3.462 1.00 0.00 H new ATOM 0 HA GLN A 37 14.722 -7.475 0.860 1.00 0.00 H new ATOM 0 HB2 GLN A 37 16.735 -8.719 0.728 1.00 0.00 H new ATOM 0 HB3 GLN A 37 17.176 -7.058 1.069 1.00 0.00 H new ATOM 0 HG2 GLN A 37 17.418 -7.652 3.504 1.00 0.00 H new ATOM 0 HG3 GLN A 37 17.052 -9.321 3.112 1.00 0.00 H new ATOM 0 HE21 GLN A 37 18.604 -9.972 0.941 1.00 0.00 H new ATOM 0 HE22 GLN A 37 20.309 -9.696 1.310 1.00 0.00 H new ATOM 557 N TYR A 38 13.899 -9.654 1.797 1.00 0.00 N ATOM 558 CA TYR A 38 13.279 -10.879 2.285 1.00 0.00 C ATOM 559 C TYR A 38 14.284 -12.041 2.173 1.00 0.00 C ATOM 560 O TYR A 38 14.560 -12.541 1.085 1.00 0.00 O ATOM 561 CB TYR A 38 11.993 -11.102 1.490 1.00 0.00 C ATOM 562 CG TYR A 38 11.042 -12.127 2.081 1.00 0.00 C ATOM 563 CD1 TYR A 38 11.350 -13.499 2.034 1.00 0.00 C ATOM 564 CD2 TYR A 38 9.841 -11.700 2.676 1.00 0.00 C ATOM 565 CE1 TYR A 38 10.478 -14.444 2.606 1.00 0.00 C ATOM 566 CE2 TYR A 38 8.961 -12.639 3.240 1.00 0.00 C ATOM 567 CZ TYR A 38 9.282 -14.010 3.218 1.00 0.00 C ATOM 568 OH TYR A 38 8.429 -14.898 3.790 1.00 0.00 O ATOM 0 H TYR A 38 13.801 -9.537 0.788 1.00 0.00 H new ATOM 0 HA TYR A 38 13.010 -10.811 3.339 1.00 0.00 H new ATOM 0 HB2 TYR A 38 11.469 -10.150 1.402 1.00 0.00 H new ATOM 0 HB3 TYR A 38 12.258 -11.414 0.480 1.00 0.00 H new ATOM 0 HD1 TYR A 38 12.261 -13.829 1.556 1.00 0.00 H new ATOM 0 HD2 TYR A 38 9.595 -10.649 2.699 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.722 -15.496 2.577 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.037 -12.309 3.691 1.00 0.00 H new ATOM 0 HH TYR A 38 8.938 -15.652 4.155 1.00 0.00 H new ATOM 578 N THR A 39 14.890 -12.438 3.295 1.00 0.00 N ATOM 579 CA THR A 39 16.091 -13.290 3.383 1.00 0.00 C ATOM 580 C THR A 39 15.864 -14.799 3.165 1.00 0.00 C ATOM 581 O THR A 39 16.737 -15.591 3.516 1.00 0.00 O ATOM 582 CB THR A 39 16.821 -13.036 4.725 1.00 0.00 C ATOM 583 OG1 THR A 39 15.910 -12.889 5.792 1.00 0.00 O ATOM 584 CG2 THR A 39 17.642 -11.749 4.679 1.00 0.00 C ATOM 0 H THR A 39 14.544 -12.164 4.214 1.00 0.00 H new ATOM 0 HA THR A 39 16.712 -12.989 2.539 1.00 0.00 H new ATOM 0 HB THR A 39 17.463 -13.903 4.880 1.00 0.00 H new ATOM 0 HG1 THR A 39 16.403 -12.732 6.624 1.00 0.00 H new ATOM 0 HG21 THR A 39 18.141 -11.601 5.637 1.00 0.00 H new ATOM 0 HG22 THR A 39 18.389 -11.822 3.888 1.00 0.00 H new ATOM 0 HG23 THR A 39 16.983 -10.904 4.479 1.00 0.00 H new ATOM 592 N GLY A 40 14.730 -15.235 2.600 1.00 0.00 N ATOM 593 CA GLY A 40 14.411 -16.665 2.482 1.00 0.00 C ATOM 594 C GLY A 40 13.294 -17.014 1.495 1.00 0.00 C ATOM 595 O GLY A 40 12.721 -16.146 0.836 1.00 0.00 O ATOM 0 H GLY A 40 14.016 -14.616 2.216 1.00 0.00 H new ATOM 0 HA2 GLY A 40 15.314 -17.197 2.184 1.00 0.00 H new ATOM 0 HA3 GLY A 40 14.131 -17.039 3.467 1.00 0.00 H new ATOM 599 N THR A 41 13.006 -18.316 1.376 1.00 0.00 N ATOM 600 CA THR A 41 12.132 -18.899 0.346 1.00 0.00 C ATOM 601 C THR A 41 10.671 -19.088 0.774 1.00 0.00 C ATOM 602 O THR A 41 9.822 -19.286 -0.092 1.00 0.00 O ATOM 603 CB THR A 41 12.681 -20.263 -0.100 1.00 0.00 C ATOM 604 OG1 THR A 41 12.792 -21.116 1.018 1.00 0.00 O ATOM 605 CG2 THR A 41 14.066 -20.160 -0.746 1.00 0.00 C ATOM 0 H THR A 41 13.386 -19.016 2.013 1.00 0.00 H new ATOM 0 HA THR A 41 12.133 -18.173 -0.467 1.00 0.00 H new ATOM 0 HB THR A 41 11.982 -20.655 -0.839 1.00 0.00 H new ATOM 0 HG1 THR A 41 13.141 -21.986 0.732 1.00 0.00 H new ATOM 0 HG21 THR A 41 14.404 -21.153 -1.041 1.00 0.00 H new ATOM 0 HG22 THR A 41 14.010 -19.519 -1.626 1.00 0.00 H new ATOM 0 HG23 THR A 41 14.770 -19.735 -0.031 1.00 0.00 H new ATOM 613 N ASP A 42 10.356 -19.023 2.075 1.00 0.00 N ATOM 614 CA ASP A 42 9.021 -19.279 2.625 1.00 0.00 C ATOM 615 C ASP A 42 8.568 -18.187 3.613 1.00 0.00 C ATOM 616 O ASP A 42 9.313 -17.250 3.909 1.00 0.00 O ATOM 617 CB ASP A 42 8.997 -20.682 3.264 1.00 0.00 C ATOM 618 CG ASP A 42 9.640 -20.734 4.653 1.00 0.00 C ATOM 619 OD1 ASP A 42 10.804 -20.296 4.821 1.00 0.00 O ATOM 620 OD2 ASP A 42 8.964 -21.203 5.599 1.00 0.00 O ATOM 0 H ASP A 42 11.042 -18.785 2.791 1.00 0.00 H new ATOM 0 HA ASP A 42 8.300 -19.247 1.808 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.964 -21.021 3.338 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.515 -21.380 2.607 1.00 0.00 H new ATOM 625 N GLY A 43 7.337 -18.311 4.127 1.00 0.00 N ATOM 626 CA GLY A 43 6.791 -17.490 5.213 1.00 0.00 C ATOM 627 C GLY A 43 5.535 -16.635 4.937 1.00 0.00 C ATOM 628 O GLY A 43 5.486 -15.541 5.498 1.00 0.00 O ATOM 0 H GLY A 43 6.674 -19.008 3.787 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.562 -18.154 6.046 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.581 -16.818 5.549 1.00 0.00 H new ATOM 632 N PRO A 44 4.506 -17.070 4.164 1.00 0.00 N ATOM 633 CA PRO A 44 3.208 -16.384 4.147 1.00 0.00 C ATOM 634 C PRO A 44 2.618 -16.257 5.566 1.00 0.00 C ATOM 635 O PRO A 44 2.244 -17.257 6.177 1.00 0.00 O ATOM 636 CB PRO A 44 2.275 -17.159 3.207 1.00 0.00 C ATOM 637 CG PRO A 44 3.130 -18.258 2.583 1.00 0.00 C ATOM 638 CD PRO A 44 4.437 -18.291 3.373 1.00 0.00 C ATOM 0 HA PRO A 44 3.330 -15.364 3.781 1.00 0.00 H new ATOM 0 HB2 PRO A 44 1.433 -17.582 3.754 1.00 0.00 H new ATOM 0 HB3 PRO A 44 1.860 -16.504 2.441 1.00 0.00 H new ATOM 0 HG2 PRO A 44 2.622 -19.221 2.633 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.318 -18.052 1.529 1.00 0.00 H new ATOM 0 HD2 PRO A 44 4.471 -19.168 4.019 1.00 0.00 H new ATOM 0 HD3 PRO A 44 5.290 -18.359 2.698 1.00 0.00 H new ATOM 646 N CYS A 45 2.616 -15.041 6.123 1.00 0.00 N ATOM 647 CA CYS A 45 2.378 -14.757 7.544 1.00 0.00 C ATOM 648 C CYS A 45 2.183 -13.238 7.765 1.00 0.00 C ATOM 649 O CYS A 45 2.333 -12.447 6.832 1.00 0.00 O ATOM 650 CB CYS A 45 3.572 -15.315 8.342 1.00 0.00 C ATOM 651 SG CYS A 45 3.280 -15.690 10.092 1.00 0.00 S ATOM 0 H CYS A 45 2.786 -14.196 5.577 1.00 0.00 H new ATOM 0 HA CYS A 45 1.463 -15.238 7.890 1.00 0.00 H new ATOM 0 HB2 CYS A 45 3.913 -16.227 7.851 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.388 -14.595 8.280 1.00 0.00 H new ATOM 656 N LYS A 46 1.828 -12.780 8.974 1.00 0.00 N ATOM 657 CA LYS A 46 1.581 -11.349 9.228 1.00 0.00 C ATOM 658 C LYS A 46 2.874 -10.619 9.632 1.00 0.00 C ATOM 659 O LYS A 46 3.247 -10.635 10.803 1.00 0.00 O ATOM 660 CB LYS A 46 0.416 -11.221 10.226 1.00 0.00 C ATOM 661 CG LYS A 46 -0.211 -9.831 10.307 1.00 0.00 C ATOM 662 CD LYS A 46 0.634 -8.795 11.071 1.00 0.00 C ATOM 663 CE LYS A 46 -0.122 -7.477 11.233 1.00 0.00 C ATOM 664 NZ LYS A 46 -0.560 -6.997 9.908 1.00 0.00 N ATOM 0 H LYS A 46 1.705 -13.377 9.792 1.00 0.00 H new ATOM 0 HA LYS A 46 1.271 -10.839 8.316 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.358 -11.938 9.952 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.773 -11.501 11.217 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.385 -9.465 9.295 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.186 -9.913 10.788 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.897 -9.189 12.052 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.568 -8.618 10.537 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.985 -7.618 11.884 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.518 -6.734 11.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.938 -6.032 9.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.249 -6.994 9.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.300 -7.627 9.538 1.00 0.00 H new ATOM 678 N VAL A 47 3.541 -9.967 8.665 1.00 0.00 N ATOM 679 CA VAL A 47 4.808 -9.243 8.887 1.00 0.00 C ATOM 680 C VAL A 47 4.695 -8.159 9.977 1.00 0.00 C ATOM 681 O VAL A 47 3.854 -7.268 9.876 1.00 0.00 O ATOM 682 CB VAL A 47 5.485 -8.719 7.590 1.00 0.00 C ATOM 683 CG1 VAL A 47 4.557 -8.092 6.543 1.00 0.00 C ATOM 684 CG2 VAL A 47 6.620 -7.717 7.854 1.00 0.00 C ATOM 0 H VAL A 47 3.215 -9.926 7.699 1.00 0.00 H new ATOM 0 HA VAL A 47 5.492 -10.001 9.270 1.00 0.00 H new ATOM 0 HB VAL A 47 5.873 -9.649 7.174 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.145 -7.765 5.685 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.822 -8.830 6.220 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.043 -7.235 6.979 1.00 0.00 H new ATOM 0 HG21 VAL A 47 7.047 -7.393 6.905 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.225 -6.853 8.388 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.393 -8.194 8.456 1.00 0.00 H new ATOM 694 N PRO A 48 5.539 -8.208 11.024 1.00 0.00 N ATOM 695 CA PRO A 48 5.620 -7.172 12.044 1.00 0.00 C ATOM 696 C PRO A 48 6.572 -6.030 11.643 1.00 0.00 C ATOM 697 O PRO A 48 7.787 -6.119 11.826 1.00 0.00 O ATOM 698 CB PRO A 48 6.119 -7.907 13.283 1.00 0.00 C ATOM 699 CG PRO A 48 7.047 -8.978 12.708 1.00 0.00 C ATOM 700 CD PRO A 48 6.416 -9.321 11.368 1.00 0.00 C ATOM 0 HA PRO A 48 4.659 -6.684 12.204 1.00 0.00 H new ATOM 0 HB2 PRO A 48 6.649 -7.238 13.961 1.00 0.00 H new ATOM 0 HB3 PRO A 48 5.297 -8.348 13.847 1.00 0.00 H new ATOM 0 HG2 PRO A 48 8.064 -8.604 12.588 1.00 0.00 H new ATOM 0 HG3 PRO A 48 7.103 -9.850 13.359 1.00 0.00 H new ATOM 0 HD2 PRO A 48 7.181 -9.462 10.604 1.00 0.00 H new ATOM 0 HD3 PRO A 48 5.853 -10.252 11.432 1.00 0.00 H new ATOM 708 N ILE A 49 6.017 -4.923 11.147 1.00 0.00 N ATOM 709 CA ILE A 49 6.714 -3.636 11.013 1.00 0.00 C ATOM 710 C ILE A 49 5.836 -2.521 11.600 1.00 0.00 C ATOM 711 O ILE A 49 4.608 -2.602 11.537 1.00 0.00 O ATOM 712 CB ILE A 49 7.164 -3.390 9.552 1.00 0.00 C ATOM 713 CG1 ILE A 49 7.948 -2.064 9.428 1.00 0.00 C ATOM 714 CG2 ILE A 49 5.978 -3.423 8.573 1.00 0.00 C ATOM 715 CD1 ILE A 49 8.815 -1.970 8.167 1.00 0.00 C ATOM 0 H ILE A 49 5.051 -4.892 10.820 1.00 0.00 H new ATOM 0 HA ILE A 49 7.639 -3.647 11.589 1.00 0.00 H new ATOM 0 HB ILE A 49 7.832 -4.207 9.279 1.00 0.00 H new ATOM 0 HG12 ILE A 49 7.242 -1.234 9.434 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.585 -1.947 10.305 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.338 -3.246 7.559 1.00 0.00 H new ATOM 0 HG22 ILE A 49 5.494 -4.398 8.621 1.00 0.00 H new ATOM 0 HG23 ILE A 49 5.261 -2.648 8.844 1.00 0.00 H new ATOM 0 HD11 ILE A 49 9.333 -1.011 8.152 1.00 0.00 H new ATOM 0 HD12 ILE A 49 9.547 -2.778 8.167 1.00 0.00 H new ATOM 0 HD13 ILE A 49 8.182 -2.054 7.283 1.00 0.00 H new ATOM 727 N SER A 50 6.469 -1.510 12.206 1.00 0.00 N ATOM 728 CA SER A 50 5.817 -0.482 13.019 1.00 0.00 C ATOM 729 C SER A 50 6.570 0.862 12.998 1.00 0.00 C ATOM 730 O SER A 50 7.721 0.948 12.564 1.00 0.00 O ATOM 731 CB SER A 50 5.723 -1.036 14.442 1.00 0.00 C ATOM 732 OG SER A 50 5.165 -0.098 15.332 1.00 0.00 O ATOM 0 H SER A 50 7.479 -1.383 12.141 1.00 0.00 H new ATOM 0 HA SER A 50 4.830 -0.265 12.611 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.116 -1.941 14.440 1.00 0.00 H new ATOM 0 HB3 SER A 50 6.717 -1.319 14.788 1.00 0.00 H new ATOM 0 HG SER A 50 5.395 -0.343 16.252 1.00 0.00 H new ATOM 738 N SER A 51 5.898 1.915 13.479 1.00 0.00 N ATOM 739 CA SER A 51 6.348 3.308 13.533 1.00 0.00 C ATOM 740 C SER A 51 5.795 3.999 14.787 1.00 0.00 C ATOM 741 O SER A 51 4.586 4.244 14.881 1.00 0.00 O ATOM 742 CB SER A 51 5.878 4.046 12.276 1.00 0.00 C ATOM 743 OG SER A 51 6.344 5.375 12.333 1.00 0.00 O ATOM 0 H SER A 51 4.961 1.807 13.867 1.00 0.00 H new ATOM 0 HA SER A 51 7.437 3.329 13.578 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.257 3.550 11.382 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.790 4.029 12.212 1.00 0.00 H new ATOM 0 HG SER A 51 5.829 5.929 11.710 1.00 0.00 H new ATOM 749 N VAL A 52 6.657 4.287 15.770 1.00 0.00 N ATOM 750 CA VAL A 52 6.263 4.889 17.058 1.00 0.00 C ATOM 751 C VAL A 52 7.293 5.903 17.577 1.00 0.00 C ATOM 752 O VAL A 52 8.377 6.019 17.016 1.00 0.00 O ATOM 753 CB VAL A 52 5.989 3.795 18.111 1.00 0.00 C ATOM 754 CG1 VAL A 52 4.782 2.929 17.758 1.00 0.00 C ATOM 755 CG2 VAL A 52 7.198 2.894 18.371 1.00 0.00 C ATOM 0 H VAL A 52 7.659 4.108 15.697 1.00 0.00 H new ATOM 0 HA VAL A 52 5.341 5.443 16.879 1.00 0.00 H new ATOM 0 HB VAL A 52 5.771 4.345 19.026 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.635 2.176 18.533 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.893 3.555 17.688 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.955 2.436 16.801 1.00 0.00 H new ATOM 0 HG21 VAL A 52 6.940 2.146 19.121 1.00 0.00 H new ATOM 0 HG22 VAL A 52 7.486 2.396 17.445 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.031 3.498 18.732 1.00 0.00 H new ATOM 765 N ALA A 53 6.969 6.650 18.642 1.00 0.00 N ATOM 766 CA ALA A 53 7.817 7.724 19.183 1.00 0.00 C ATOM 767 C ALA A 53 8.557 7.357 20.484 1.00 0.00 C ATOM 768 O ALA A 53 9.356 8.143 20.991 1.00 0.00 O ATOM 769 CB ALA A 53 6.952 8.974 19.386 1.00 0.00 C ATOM 0 H ALA A 53 6.099 6.524 19.159 1.00 0.00 H new ATOM 0 HA ALA A 53 8.607 7.907 18.454 1.00 0.00 H new ATOM 0 HB1 ALA A 53 7.566 9.780 19.787 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.528 9.282 18.430 1.00 0.00 H new ATOM 0 HB3 ALA A 53 6.146 8.749 20.085 1.00 0.00 H new ATOM 775 N SER A 54 8.284 6.191 21.079 1.00 0.00 N ATOM 776 CA SER A 54 8.874 5.765 22.360 1.00 0.00 C ATOM 777 C SER A 54 9.155 4.256 22.410 1.00 0.00 C ATOM 778 O SER A 54 9.261 3.685 23.491 1.00 0.00 O ATOM 779 CB SER A 54 7.971 6.213 23.521 1.00 0.00 C ATOM 780 OG SER A 54 7.733 7.607 23.441 1.00 0.00 O ATOM 0 H SER A 54 7.640 5.506 20.683 1.00 0.00 H new ATOM 0 HA SER A 54 9.845 6.250 22.459 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.025 5.672 23.486 1.00 0.00 H new ATOM 0 HB3 SER A 54 8.442 5.971 24.473 1.00 0.00 H new ATOM 0 HG SER A 54 7.156 7.883 24.183 1.00 0.00 H new ATOM 786 N LEU A 55 9.242 3.602 21.238 1.00 0.00 N ATOM 787 CA LEU A 55 9.371 2.141 21.060 1.00 0.00 C ATOM 788 C LEU A 55 8.156 1.376 21.645 1.00 0.00 C ATOM 789 O LEU A 55 8.188 0.183 21.927 1.00 0.00 O ATOM 790 CB LEU A 55 10.776 1.689 21.532 1.00 0.00 C ATOM 791 CG LEU A 55 11.537 0.834 20.496 1.00 0.00 C ATOM 792 CD1 LEU A 55 13.042 0.852 20.783 1.00 0.00 C ATOM 793 CD2 LEU A 55 11.073 -0.622 20.493 1.00 0.00 C ATOM 0 H LEU A 55 9.224 4.099 20.347 1.00 0.00 H new ATOM 0 HA LEU A 55 9.324 1.873 20.005 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.371 2.571 21.768 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.673 1.118 22.455 1.00 0.00 H new ATOM 0 HG LEU A 55 11.326 1.275 19.522 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.561 0.244 20.042 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.410 1.877 20.733 1.00 0.00 H new ATOM 0 HD13 LEU A 55 13.227 0.448 21.778 1.00 0.00 H new ATOM 0 HD21 LEU A 55 11.638 -1.182 19.748 1.00 0.00 H new ATOM 0 HD22 LEU A 55 11.239 -1.059 21.478 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.011 -0.665 20.251 1.00 0.00 H new ATOM 805 N ASN A 56 7.048 2.106 21.806 1.00 0.00 N ATOM 806 CA ASN A 56 5.738 1.717 22.310 1.00 0.00 C ATOM 807 C ASN A 56 4.849 1.046 21.240 1.00 0.00 C ATOM 808 O ASN A 56 3.685 1.412 21.087 1.00 0.00 O ATOM 809 CB ASN A 56 5.100 2.998 22.884 1.00 0.00 C ATOM 810 CG ASN A 56 4.924 4.101 21.840 1.00 0.00 C ATOM 811 OD1 ASN A 56 5.875 4.764 21.445 1.00 0.00 O ATOM 812 ND2 ASN A 56 3.723 4.306 21.343 1.00 0.00 N ATOM 0 H ASN A 56 7.054 3.095 21.556 1.00 0.00 H new ATOM 0 HA ASN A 56 5.842 0.952 23.079 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.128 2.752 23.311 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.721 3.372 23.698 1.00 0.00 H new ATOM 0 HD21 ASN A 56 3.582 5.019 20.627 1.00 0.00 H new ATOM 0 HD22 ASN A 56 2.933 3.752 21.674 1.00 0.00 H new ATOM 819 N ASP A 57 5.368 0.063 20.493 1.00 0.00 N ATOM 820 CA ASP A 57 4.677 -0.567 19.347 1.00 0.00 C ATOM 821 C ASP A 57 3.318 -1.211 19.668 1.00 0.00 C ATOM 822 O ASP A 57 2.489 -1.387 18.778 1.00 0.00 O ATOM 823 CB ASP A 57 5.610 -1.580 18.688 1.00 0.00 C ATOM 824 CG ASP A 57 6.837 -0.848 18.169 1.00 0.00 C ATOM 825 OD1 ASP A 57 6.684 -0.162 17.131 1.00 0.00 O ATOM 826 OD2 ASP A 57 7.877 -0.920 18.851 1.00 0.00 O ATOM 0 H ASP A 57 6.294 -0.327 20.666 1.00 0.00 H new ATOM 0 HA ASP A 57 4.436 0.247 18.663 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.903 -2.346 19.406 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.099 -2.088 17.870 1.00 0.00 H new ATOM 831 N LEU A 58 3.048 -1.462 20.951 1.00 0.00 N ATOM 832 CA LEU A 58 1.729 -1.745 21.522 1.00 0.00 C ATOM 833 C LEU A 58 0.681 -0.628 21.315 1.00 0.00 C ATOM 834 O LEU A 58 -0.490 -0.807 21.649 1.00 0.00 O ATOM 835 CB LEU A 58 1.918 -2.073 23.014 1.00 0.00 C ATOM 836 CG LEU A 58 2.565 -0.927 23.835 1.00 0.00 C ATOM 837 CD1 LEU A 58 1.635 -0.434 24.941 1.00 0.00 C ATOM 838 CD2 LEU A 58 3.893 -1.379 24.452 1.00 0.00 C ATOM 0 H LEU A 58 3.783 -1.474 21.658 1.00 0.00 H new ATOM 0 HA LEU A 58 1.311 -2.595 20.983 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.948 -2.314 23.448 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.538 -2.965 23.104 1.00 0.00 H new ATOM 0 HG LEU A 58 2.750 -0.105 23.144 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.122 0.369 25.495 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.711 -0.061 24.500 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.408 -1.257 25.619 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.327 -0.558 25.023 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.717 -2.227 25.113 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.581 -1.674 23.659 1.00 0.00 H new ATOM 850 N THR A 59 1.054 0.545 20.795 1.00 0.00 N ATOM 851 CA THR A 59 0.130 1.597 20.347 1.00 0.00 C ATOM 852 C THR A 59 0.772 2.395 19.197 1.00 0.00 C ATOM 853 O THR A 59 1.441 3.398 19.455 1.00 0.00 O ATOM 854 CB THR A 59 -0.292 2.484 21.534 1.00 0.00 C ATOM 855 OG1 THR A 59 -0.903 1.675 22.517 1.00 0.00 O ATOM 856 CG2 THR A 59 -1.327 3.544 21.149 1.00 0.00 C ATOM 0 H THR A 59 2.034 0.798 20.670 1.00 0.00 H new ATOM 0 HA THR A 59 -0.784 1.149 19.958 1.00 0.00 H new ATOM 0 HB THR A 59 0.613 2.978 21.887 1.00 0.00 H new ATOM 0 HG1 THR A 59 -1.144 0.810 22.125 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.584 4.137 22.027 1.00 0.00 H new ATOM 0 HG22 THR A 59 -0.912 4.195 20.380 1.00 0.00 H new ATOM 0 HG23 THR A 59 -2.223 3.055 20.766 1.00 0.00 H new ATOM 864 N PRO A 60 0.614 1.944 17.932 1.00 0.00 N ATOM 865 CA PRO A 60 1.148 2.595 16.731 1.00 0.00 C ATOM 866 C PRO A 60 0.791 4.084 16.608 1.00 0.00 C ATOM 867 O PRO A 60 -0.377 4.447 16.462 1.00 0.00 O ATOM 868 CB PRO A 60 0.638 1.780 15.539 1.00 0.00 C ATOM 869 CG PRO A 60 0.484 0.383 16.136 1.00 0.00 C ATOM 870 CD PRO A 60 -0.002 0.678 17.553 1.00 0.00 C ATOM 0 HA PRO A 60 2.237 2.603 16.777 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -0.308 2.165 15.159 1.00 0.00 H new ATOM 0 HB3 PRO A 60 1.344 1.791 14.708 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -0.233 -0.219 15.579 1.00 0.00 H new ATOM 0 HG3 PRO A 60 1.427 -0.164 16.136 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -1.089 0.747 17.586 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.288 -0.118 18.239 1.00 0.00 H new ATOM 878 N VAL A 61 1.817 4.941 16.663 1.00 0.00 N ATOM 879 CA VAL A 61 1.703 6.406 16.607 1.00 0.00 C ATOM 880 C VAL A 61 1.835 6.904 15.164 1.00 0.00 C ATOM 881 O VAL A 61 1.130 7.831 14.774 1.00 0.00 O ATOM 882 CB VAL A 61 2.752 7.095 17.512 1.00 0.00 C ATOM 883 CG1 VAL A 61 2.401 8.570 17.749 1.00 0.00 C ATOM 884 CG2 VAL A 61 2.890 6.428 18.890 1.00 0.00 C ATOM 0 H VAL A 61 2.783 4.625 16.751 1.00 0.00 H new ATOM 0 HA VAL A 61 0.714 6.671 16.981 1.00 0.00 H new ATOM 0 HB VAL A 61 3.695 7.000 16.974 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.157 9.026 18.388 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.369 9.094 16.794 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.427 8.639 18.233 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.641 6.957 19.477 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.932 6.463 19.409 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.195 5.389 18.763 1.00 0.00 H new ATOM 894 N GLY A 62 2.695 6.273 14.357 1.00 0.00 N ATOM 895 CA GLY A 62 2.825 6.450 12.911 1.00 0.00 C ATOM 896 C GLY A 62 2.012 5.408 12.129 1.00 0.00 C ATOM 897 O GLY A 62 1.117 4.765 12.685 1.00 0.00 O ATOM 0 H GLY A 62 3.356 5.586 14.719 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.491 7.451 12.637 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.875 6.376 12.630 1.00 0.00 H new ATOM 901 N ARG A 63 2.310 5.234 10.835 1.00 0.00 N ATOM 902 CA ARG A 63 1.719 4.196 9.963 1.00 0.00 C ATOM 903 C ARG A 63 2.724 3.652 8.947 1.00 0.00 C ATOM 904 O ARG A 63 3.769 4.253 8.701 1.00 0.00 O ATOM 905 CB ARG A 63 0.466 4.721 9.225 1.00 0.00 C ATOM 906 CG ARG A 63 0.728 6.016 8.438 1.00 0.00 C ATOM 907 CD ARG A 63 -0.283 6.332 7.331 1.00 0.00 C ATOM 908 NE ARG A 63 -1.658 6.533 7.816 1.00 0.00 N ATOM 909 CZ ARG A 63 -2.284 7.678 8.058 1.00 0.00 C ATOM 910 NH1 ARG A 63 -1.695 8.849 8.136 1.00 0.00 N ATOM 911 NH2 ARG A 63 -3.583 7.642 8.198 1.00 0.00 N ATOM 0 H ARG A 63 2.985 5.823 10.348 1.00 0.00 H new ATOM 0 HA ARG A 63 1.425 3.378 10.621 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.107 3.953 8.540 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.328 4.898 9.950 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.744 6.850 9.140 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.721 5.955 7.992 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.040 7.229 6.803 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.280 5.518 6.607 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.198 5.685 7.988 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.686 8.922 8.007 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.247 9.686 8.326 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.080 6.755 8.120 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -4.100 8.501 8.385 1.00 0.00 H new ATOM 925 N LEU A 64 2.349 2.540 8.313 1.00 0.00 N ATOM 926 CA LEU A 64 2.987 1.974 7.132 1.00 0.00 C ATOM 927 C LEU A 64 2.272 2.582 5.914 1.00 0.00 C ATOM 928 O LEU A 64 1.099 2.286 5.687 1.00 0.00 O ATOM 929 CB LEU A 64 2.910 0.427 7.149 1.00 0.00 C ATOM 930 CG LEU A 64 3.121 -0.337 8.479 1.00 0.00 C ATOM 931 CD1 LEU A 64 4.339 0.113 9.287 1.00 0.00 C ATOM 932 CD2 LEU A 64 1.889 -0.335 9.393 1.00 0.00 C ATOM 0 H LEU A 64 1.553 1.985 8.628 1.00 0.00 H new ATOM 0 HA LEU A 64 4.050 2.214 7.099 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.930 0.146 6.764 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.650 0.056 6.440 1.00 0.00 H new ATOM 0 HG LEU A 64 3.306 -1.355 8.137 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.407 -0.477 10.201 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.242 -0.031 8.694 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.237 1.168 9.542 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.112 -0.889 10.305 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.626 0.692 9.647 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.053 -0.807 8.877 1.00 0.00 H new ATOM 944 N VAL A 65 2.923 3.507 5.198 1.00 0.00 N ATOM 945 CA VAL A 65 2.298 4.302 4.124 1.00 0.00 C ATOM 946 C VAL A 65 2.108 3.442 2.874 1.00 0.00 C ATOM 947 O VAL A 65 1.001 3.361 2.352 1.00 0.00 O ATOM 948 CB VAL A 65 3.138 5.553 3.784 1.00 0.00 C ATOM 949 CG1 VAL A 65 2.550 6.391 2.640 1.00 0.00 C ATOM 950 CG2 VAL A 65 3.326 6.477 4.992 1.00 0.00 C ATOM 0 H VAL A 65 3.907 3.730 5.346 1.00 0.00 H new ATOM 0 HA VAL A 65 1.325 4.638 4.481 1.00 0.00 H new ATOM 0 HB VAL A 65 4.100 5.148 3.469 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.190 7.253 2.454 1.00 0.00 H new ATOM 0 HG12 VAL A 65 2.490 5.783 1.737 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.552 6.733 2.915 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.923 7.341 4.700 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.352 6.813 5.348 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.837 5.936 5.788 1.00 0.00 H new ATOM 960 N THR A 66 3.190 2.818 2.387 1.00 0.00 N ATOM 961 CA THR A 66 3.204 2.072 1.119 1.00 0.00 C ATOM 962 C THR A 66 2.224 0.900 1.105 1.00 0.00 C ATOM 963 O THR A 66 1.489 0.740 0.132 1.00 0.00 O ATOM 964 CB THR A 66 4.632 1.595 0.807 1.00 0.00 C ATOM 965 OG1 THR A 66 5.375 2.689 0.339 1.00 0.00 O ATOM 966 CG2 THR A 66 4.768 0.507 -0.260 1.00 0.00 C ATOM 0 H THR A 66 4.090 2.817 2.867 1.00 0.00 H new ATOM 0 HA THR A 66 2.871 2.757 0.339 1.00 0.00 H new ATOM 0 HB THR A 66 4.983 1.166 1.745 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.064 2.375 -0.283 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.820 0.255 -0.391 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.219 -0.381 0.053 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.362 0.870 -1.204 1.00 0.00 H new ATOM 974 N VAL A 67 2.238 0.051 2.140 1.00 0.00 N ATOM 975 CA VAL A 67 1.407 -1.156 2.195 1.00 0.00 C ATOM 976 C VAL A 67 1.169 -1.578 3.646 1.00 0.00 C ATOM 977 O VAL A 67 2.068 -1.486 4.482 1.00 0.00 O ATOM 978 CB VAL A 67 2.051 -2.279 1.343 1.00 0.00 C ATOM 979 CG1 VAL A 67 3.349 -2.854 1.928 1.00 0.00 C ATOM 980 CG2 VAL A 67 1.063 -3.417 1.071 1.00 0.00 C ATOM 0 H VAL A 67 2.826 0.182 2.963 1.00 0.00 H new ATOM 0 HA VAL A 67 0.427 -0.946 1.767 1.00 0.00 H new ATOM 0 HB VAL A 67 2.319 -1.790 0.406 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.731 -3.633 1.269 1.00 0.00 H new ATOM 0 HG12 VAL A 67 4.090 -2.060 2.019 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.148 -3.278 2.912 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.550 -4.186 0.471 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.735 -3.848 2.017 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.200 -3.028 0.531 1.00 0.00 H new ATOM 990 N ASN A 68 -0.048 -2.043 3.948 1.00 0.00 N ATOM 991 CA ASN A 68 -0.367 -2.595 5.263 1.00 0.00 C ATOM 992 C ASN A 68 0.236 -4.009 5.417 1.00 0.00 C ATOM 993 O ASN A 68 0.166 -4.815 4.486 1.00 0.00 O ATOM 994 CB ASN A 68 -1.879 -2.546 5.509 1.00 0.00 C ATOM 995 CG ASN A 68 -2.288 -1.145 5.945 1.00 0.00 C ATOM 996 OD1 ASN A 68 -2.088 -0.751 7.089 1.00 0.00 O ATOM 997 ND2 ASN A 68 -2.821 -0.337 5.051 1.00 0.00 N ATOM 0 H ASN A 68 -0.830 -2.046 3.293 1.00 0.00 H new ATOM 0 HA ASN A 68 0.091 -1.982 6.039 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -2.413 -2.824 4.601 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -2.155 -3.270 6.276 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -3.068 0.618 5.310 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -2.986 -0.667 4.100 1.00 0.00 H new ATOM 1004 N PRO A 69 0.883 -4.311 6.556 1.00 0.00 N ATOM 1005 CA PRO A 69 1.924 -5.333 6.608 1.00 0.00 C ATOM 1006 C PRO A 69 1.394 -6.771 6.788 1.00 0.00 C ATOM 1007 O PRO A 69 1.231 -7.257 7.909 1.00 0.00 O ATOM 1008 CB PRO A 69 2.838 -4.842 7.734 1.00 0.00 C ATOM 1009 CG PRO A 69 1.886 -4.184 8.723 1.00 0.00 C ATOM 1010 CD PRO A 69 0.928 -3.486 7.763 1.00 0.00 C ATOM 0 HA PRO A 69 2.456 -5.436 5.662 1.00 0.00 H new ATOM 0 HB2 PRO A 69 3.383 -5.667 8.193 1.00 0.00 H new ATOM 0 HB3 PRO A 69 3.581 -4.135 7.365 1.00 0.00 H new ATOM 0 HG2 PRO A 69 1.380 -4.911 9.358 1.00 0.00 H new ATOM 0 HG3 PRO A 69 2.395 -3.483 9.384 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -0.064 -3.389 8.205 1.00 0.00 H new ATOM 0 HD3 PRO A 69 1.274 -2.478 7.533 1.00 0.00 H new ATOM 1018 N PHE A 70 1.163 -7.483 5.680 1.00 0.00 N ATOM 1019 CA PHE A 70 0.870 -8.923 5.643 1.00 0.00 C ATOM 1020 C PHE A 70 1.575 -9.588 4.444 1.00 0.00 C ATOM 1021 O PHE A 70 1.469 -9.118 3.311 1.00 0.00 O ATOM 1022 CB PHE A 70 -0.653 -9.133 5.635 1.00 0.00 C ATOM 1023 CG PHE A 70 -1.119 -10.493 5.144 1.00 0.00 C ATOM 1024 CD1 PHE A 70 -0.830 -11.665 5.871 1.00 0.00 C ATOM 1025 CD2 PHE A 70 -1.852 -10.580 3.945 1.00 0.00 C ATOM 1026 CE1 PHE A 70 -1.269 -12.915 5.397 1.00 0.00 C ATOM 1027 CE2 PHE A 70 -2.314 -11.826 3.487 1.00 0.00 C ATOM 1028 CZ PHE A 70 -2.020 -12.994 4.211 1.00 0.00 C ATOM 0 H PHE A 70 1.175 -7.060 4.752 1.00 0.00 H new ATOM 0 HA PHE A 70 1.264 -9.408 6.536 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -1.029 -8.982 6.647 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -1.106 -8.364 5.009 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -0.271 -11.604 6.793 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -2.060 -9.686 3.375 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -1.029 -13.814 5.945 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -2.895 -11.886 2.579 1.00 0.00 H new ATOM 0 HZ PHE A 70 -2.371 -13.952 3.857 1.00 0.00 H new ATOM 1038 N VAL A 71 2.315 -10.678 4.695 1.00 0.00 N ATOM 1039 CA VAL A 71 3.034 -11.464 3.683 1.00 0.00 C ATOM 1040 C VAL A 71 2.045 -12.441 3.045 1.00 0.00 C ATOM 1041 O VAL A 71 1.880 -13.569 3.501 1.00 0.00 O ATOM 1042 CB VAL A 71 4.259 -12.205 4.279 1.00 0.00 C ATOM 1043 CG1 VAL A 71 5.116 -12.843 3.184 1.00 0.00 C ATOM 1044 CG2 VAL A 71 5.157 -11.279 5.103 1.00 0.00 C ATOM 0 H VAL A 71 2.433 -11.048 5.638 1.00 0.00 H new ATOM 0 HA VAL A 71 3.434 -10.791 2.924 1.00 0.00 H new ATOM 0 HB VAL A 71 3.846 -12.976 4.929 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.965 -13.354 3.638 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.517 -13.562 2.625 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.477 -12.069 2.507 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.000 -11.846 5.498 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.527 -10.473 4.470 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.584 -10.857 5.929 1.00 0.00 H new ATOM 1054 N SER A 72 1.355 -11.991 1.996 1.00 0.00 N ATOM 1055 CA SER A 72 0.269 -12.751 1.363 1.00 0.00 C ATOM 1056 C SER A 72 0.706 -13.961 0.518 1.00 0.00 C ATOM 1057 O SER A 72 -0.170 -14.655 -0.004 1.00 0.00 O ATOM 1058 CB SER A 72 -0.580 -11.810 0.503 1.00 0.00 C ATOM 1059 OG SER A 72 -1.730 -12.501 0.060 1.00 0.00 O ATOM 0 H SER A 72 1.532 -11.087 1.558 1.00 0.00 H new ATOM 0 HA SER A 72 -0.302 -13.172 2.191 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.868 -10.931 1.079 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.002 -11.456 -0.350 1.00 0.00 H new ATOM 0 HG SER A 72 -1.497 -13.433 -0.133 1.00 0.00 H new ATOM 1065 N VAL A 73 2.011 -14.193 0.316 1.00 0.00 N ATOM 1066 CA VAL A 73 2.549 -15.229 -0.581 1.00 0.00 C ATOM 1067 C VAL A 73 3.974 -15.618 -0.172 1.00 0.00 C ATOM 1068 O VAL A 73 4.696 -14.810 0.407 1.00 0.00 O ATOM 1069 CB VAL A 73 2.581 -14.775 -2.069 1.00 0.00 C ATOM 1070 CG1 VAL A 73 1.805 -15.772 -2.938 1.00 0.00 C ATOM 1071 CG2 VAL A 73 2.072 -13.355 -2.372 1.00 0.00 C ATOM 0 H VAL A 73 2.740 -13.653 0.782 1.00 0.00 H new ATOM 0 HA VAL A 73 1.876 -16.082 -0.489 1.00 0.00 H new ATOM 0 HB VAL A 73 3.644 -14.751 -2.308 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.832 -15.447 -3.978 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.260 -16.759 -2.854 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.770 -15.820 -2.600 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.147 -13.162 -3.442 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.031 -13.267 -2.059 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.676 -12.628 -1.829 1.00 0.00 H new ATOM 1081 N ALA A 74 4.414 -16.823 -0.555 1.00 0.00 N ATOM 1082 CA ALA A 74 5.800 -17.272 -0.373 1.00 0.00 C ATOM 1083 C ALA A 74 6.781 -16.612 -1.362 1.00 0.00 C ATOM 1084 O ALA A 74 7.979 -16.564 -1.092 1.00 0.00 O ATOM 1085 CB ALA A 74 5.853 -18.800 -0.506 1.00 0.00 C ATOM 0 H ALA A 74 3.815 -17.517 -1.002 1.00 0.00 H new ATOM 0 HA ALA A 74 6.119 -16.966 0.623 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.879 -19.141 -0.372 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.217 -19.254 0.255 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.500 -19.092 -1.495 1.00 0.00 H new ATOM 1091 N THR A 75 6.273 -16.061 -2.476 1.00 0.00 N ATOM 1092 CA THR A 75 7.030 -15.367 -3.532 1.00 0.00 C ATOM 1093 C THR A 75 7.512 -13.965 -3.131 1.00 0.00 C ATOM 1094 O THR A 75 8.059 -13.241 -3.959 1.00 0.00 O ATOM 1095 CB THR A 75 6.201 -15.270 -4.826 1.00 0.00 C ATOM 1096 OG1 THR A 75 4.977 -14.615 -4.585 1.00 0.00 O ATOM 1097 CG2 THR A 75 5.886 -16.646 -5.414 1.00 0.00 C ATOM 0 H THR A 75 5.273 -16.088 -2.675 1.00 0.00 H new ATOM 0 HA THR A 75 7.919 -15.975 -3.698 1.00 0.00 H new ATOM 0 HB THR A 75 6.808 -14.707 -5.535 1.00 0.00 H new ATOM 0 HG1 THR A 75 4.465 -14.561 -5.419 1.00 0.00 H new ATOM 0 HG21 THR A 75 5.300 -16.527 -6.325 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.816 -17.164 -5.646 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.317 -17.229 -4.690 1.00 0.00 H new ATOM 1105 N ALA A 76 7.324 -13.556 -1.871 1.00 0.00 N ATOM 1106 CA ALA A 76 7.716 -12.255 -1.324 1.00 0.00 C ATOM 1107 C ALA A 76 9.242 -12.039 -1.193 1.00 0.00 C ATOM 1108 O ALA A 76 9.654 -11.071 -0.560 1.00 0.00 O ATOM 1109 CB ALA A 76 7.005 -12.095 0.025 1.00 0.00 C ATOM 0 H ALA A 76 6.874 -14.151 -1.175 1.00 0.00 H new ATOM 0 HA ALA A 76 7.411 -11.484 -2.031 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.273 -11.135 0.466 1.00 0.00 H new ATOM 0 HB2 ALA A 76 5.926 -12.137 -0.125 1.00 0.00 H new ATOM 0 HB3 ALA A 76 7.310 -12.899 0.695 1.00 0.00 H new ATOM 1115 N ASN A 77 10.073 -12.904 -1.796 1.00 0.00 N ATOM 1116 CA ASN A 77 11.539 -13.049 -1.688 1.00 0.00 C ATOM 1117 C ASN A 77 12.357 -11.844 -2.226 1.00 0.00 C ATOM 1118 O ASN A 77 13.495 -11.997 -2.666 1.00 0.00 O ATOM 1119 CB ASN A 77 11.966 -14.370 -2.373 1.00 0.00 C ATOM 1120 CG ASN A 77 10.923 -15.471 -2.264 1.00 0.00 C ATOM 1121 OD1 ASN A 77 10.193 -15.717 -3.208 1.00 0.00 O ATOM 1122 ND2 ASN A 77 10.749 -16.079 -1.112 1.00 0.00 N ATOM 0 H ASN A 77 9.695 -13.596 -2.443 1.00 0.00 H new ATOM 0 HA ASN A 77 11.773 -13.075 -0.624 1.00 0.00 H new ATOM 0 HB2 ASN A 77 12.169 -14.175 -3.426 1.00 0.00 H new ATOM 0 HB3 ASN A 77 12.898 -14.717 -1.927 1.00 0.00 H new ATOM 0 HD21 ASN A 77 9.999 -16.762 -1.004 1.00 0.00 H new ATOM 0 HD22 ASN A 77 11.364 -15.868 -0.326 1.00 0.00 H new ATOM 1129 N ALA A 78 11.757 -10.653 -2.256 1.00 0.00 N ATOM 1130 CA ALA A 78 12.243 -9.446 -2.906 1.00 0.00 C ATOM 1131 C ALA A 78 13.147 -8.579 -2.009 1.00 0.00 C ATOM 1132 O ALA A 78 13.278 -8.779 -0.799 1.00 0.00 O ATOM 1133 CB ALA A 78 11.000 -8.665 -3.358 1.00 0.00 C ATOM 0 H ALA A 78 10.860 -10.501 -1.795 1.00 0.00 H new ATOM 0 HA ALA A 78 12.880 -9.722 -3.747 1.00 0.00 H new ATOM 0 HB1 ALA A 78 11.309 -7.745 -3.855 1.00 0.00 H new ATOM 0 HB2 ALA A 78 10.420 -9.274 -4.051 1.00 0.00 H new ATOM 0 HB3 ALA A 78 10.388 -8.421 -2.490 1.00 0.00 H new ATOM 1139 N LYS A 79 13.716 -7.547 -2.637 1.00 0.00 N ATOM 1140 CA LYS A 79 14.363 -6.376 -2.050 1.00 0.00 C ATOM 1141 C LYS A 79 13.464 -5.193 -2.414 1.00 0.00 C ATOM 1142 O LYS A 79 13.263 -4.926 -3.598 1.00 0.00 O ATOM 1143 CB LYS A 79 15.819 -6.337 -2.558 1.00 0.00 C ATOM 1144 CG LYS A 79 16.542 -4.979 -2.562 1.00 0.00 C ATOM 1145 CD LYS A 79 16.236 -4.131 -3.815 1.00 0.00 C ATOM 1146 CE LYS A 79 17.450 -3.355 -4.348 1.00 0.00 C ATOM 1147 NZ LYS A 79 17.728 -2.145 -3.548 1.00 0.00 N ATOM 0 H LYS A 79 13.736 -7.508 -3.656 1.00 0.00 H new ATOM 0 HA LYS A 79 14.460 -6.373 -0.964 1.00 0.00 H new ATOM 0 HB2 LYS A 79 16.404 -7.026 -1.949 1.00 0.00 H new ATOM 0 HB3 LYS A 79 15.829 -6.724 -3.577 1.00 0.00 H new ATOM 0 HG2 LYS A 79 16.254 -4.419 -1.673 1.00 0.00 H new ATOM 0 HG3 LYS A 79 17.617 -5.147 -2.498 1.00 0.00 H new ATOM 0 HD2 LYS A 79 15.860 -4.785 -4.602 1.00 0.00 H new ATOM 0 HD3 LYS A 79 15.440 -3.425 -3.579 1.00 0.00 H new ATOM 0 HE2 LYS A 79 18.326 -4.003 -4.341 1.00 0.00 H new ATOM 0 HE3 LYS A 79 17.272 -3.071 -5.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 18.533 -1.633 -3.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 16.890 -1.529 -3.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 17.957 -2.420 -2.571 1.00 0.00 H new ATOM 1161 N VAL A 80 12.803 -4.606 -1.411 1.00 0.00 N ATOM 1162 CA VAL A 80 11.590 -3.797 -1.599 1.00 0.00 C ATOM 1163 C VAL A 80 11.563 -2.563 -0.690 1.00 0.00 C ATOM 1164 O VAL A 80 11.771 -2.642 0.523 1.00 0.00 O ATOM 1165 CB VAL A 80 10.320 -4.675 -1.485 1.00 0.00 C ATOM 1166 CG1 VAL A 80 10.269 -5.576 -0.242 1.00 0.00 C ATOM 1167 CG2 VAL A 80 9.030 -3.846 -1.559 1.00 0.00 C ATOM 0 H VAL A 80 13.096 -4.678 -0.437 1.00 0.00 H new ATOM 0 HA VAL A 80 11.606 -3.398 -2.613 1.00 0.00 H new ATOM 0 HB VAL A 80 10.387 -5.332 -2.352 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.344 -6.153 -0.248 1.00 0.00 H new ATOM 0 HG12 VAL A 80 11.121 -6.256 -0.250 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.306 -4.959 0.656 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.167 -4.507 -1.474 1.00 0.00 H new ATOM 0 HG22 VAL A 80 9.015 -3.123 -0.743 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.991 -3.318 -2.512 1.00 0.00 H new ATOM 1177 N LEU A 81 11.332 -1.414 -1.336 1.00 0.00 N ATOM 1178 CA LEU A 81 11.325 -0.061 -0.790 1.00 0.00 C ATOM 1179 C LEU A 81 9.899 0.321 -0.365 1.00 0.00 C ATOM 1180 O LEU A 81 8.955 0.227 -1.148 1.00 0.00 O ATOM 1181 CB LEU A 81 11.919 0.860 -1.880 1.00 0.00 C ATOM 1182 CG LEU A 81 12.182 2.346 -1.562 1.00 0.00 C ATOM 1183 CD1 LEU A 81 10.919 3.199 -1.444 1.00 0.00 C ATOM 1184 CD2 LEU A 81 13.043 2.533 -0.316 1.00 0.00 C ATOM 0 H LEU A 81 11.129 -1.412 -2.336 1.00 0.00 H new ATOM 0 HA LEU A 81 11.931 0.032 0.112 1.00 0.00 H new ATOM 0 HB2 LEU A 81 12.866 0.422 -2.197 1.00 0.00 H new ATOM 0 HB3 LEU A 81 11.248 0.824 -2.738 1.00 0.00 H new ATOM 0 HG LEU A 81 12.730 2.705 -2.433 1.00 0.00 H new ATOM 0 HD11 LEU A 81 11.195 4.229 -1.219 1.00 0.00 H new ATOM 0 HD12 LEU A 81 10.370 3.168 -2.385 1.00 0.00 H new ATOM 0 HD13 LEU A 81 10.290 2.809 -0.644 1.00 0.00 H new ATOM 0 HD21 LEU A 81 13.198 3.597 -0.137 1.00 0.00 H new ATOM 0 HD22 LEU A 81 12.540 2.090 0.544 1.00 0.00 H new ATOM 0 HD23 LEU A 81 14.007 2.046 -0.463 1.00 0.00 H new ATOM 1196 N ILE A 82 9.759 0.737 0.892 1.00 0.00 N ATOM 1197 CA ILE A 82 8.514 1.038 1.599 1.00 0.00 C ATOM 1198 C ILE A 82 8.605 2.472 2.138 1.00 0.00 C ATOM 1199 O ILE A 82 9.623 2.853 2.711 1.00 0.00 O ATOM 1200 CB ILE A 82 8.350 -0.003 2.742 1.00 0.00 C ATOM 1201 CG1 ILE A 82 8.118 -1.428 2.182 1.00 0.00 C ATOM 1202 CG2 ILE A 82 7.222 0.356 3.723 1.00 0.00 C ATOM 1203 CD1 ILE A 82 8.209 -2.540 3.238 1.00 0.00 C ATOM 0 H ILE A 82 10.573 0.884 1.488 1.00 0.00 H new ATOM 0 HA ILE A 82 7.643 0.974 0.946 1.00 0.00 H new ATOM 0 HB ILE A 82 9.289 0.018 3.296 1.00 0.00 H new ATOM 0 HG12 ILE A 82 7.135 -1.467 1.713 1.00 0.00 H new ATOM 0 HG13 ILE A 82 8.852 -1.623 1.400 1.00 0.00 H new ATOM 0 HG21 ILE A 82 7.157 -0.408 4.498 1.00 0.00 H new ATOM 0 HG22 ILE A 82 7.433 1.322 4.182 1.00 0.00 H new ATOM 0 HG23 ILE A 82 6.275 0.409 3.185 1.00 0.00 H new ATOM 0 HD11 ILE A 82 8.035 -3.506 2.765 1.00 0.00 H new ATOM 0 HD12 ILE A 82 9.200 -2.531 3.691 1.00 0.00 H new ATOM 0 HD13 ILE A 82 7.457 -2.372 4.009 1.00 0.00 H new ATOM 1215 N GLU A 83 7.539 3.263 2.008 1.00 0.00 N ATOM 1216 CA GLU A 83 7.338 4.450 2.834 1.00 0.00 C ATOM 1217 C GLU A 83 6.632 4.090 4.146 1.00 0.00 C ATOM 1218 O GLU A 83 5.609 3.395 4.154 1.00 0.00 O ATOM 1219 CB GLU A 83 6.551 5.550 2.107 1.00 0.00 C ATOM 1220 CG GLU A 83 7.436 6.344 1.141 1.00 0.00 C ATOM 1221 CD GLU A 83 6.715 7.593 0.624 1.00 0.00 C ATOM 1222 OE1 GLU A 83 6.473 8.503 1.458 1.00 0.00 O ATOM 1223 OE2 GLU A 83 6.430 7.645 -0.590 1.00 0.00 O ATOM 0 H GLU A 83 6.795 3.098 1.330 1.00 0.00 H new ATOM 0 HA GLU A 83 8.331 4.844 3.052 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.725 5.101 1.556 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.114 6.228 2.840 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.357 6.636 1.645 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.719 5.711 0.300 1.00 0.00 H new ATOM 1230 N LEU A 84 7.153 4.634 5.250 1.00 0.00 N ATOM 1231 CA LEU A 84 6.497 4.713 6.557 1.00 0.00 C ATOM 1232 C LEU A 84 6.257 6.182 6.929 1.00 0.00 C ATOM 1233 O LEU A 84 6.952 7.083 6.462 1.00 0.00 O ATOM 1234 CB LEU A 84 7.354 3.996 7.628 1.00 0.00 C ATOM 1235 CG LEU A 84 6.850 2.597 8.021 1.00 0.00 C ATOM 1236 CD1 LEU A 84 6.907 1.610 6.857 1.00 0.00 C ATOM 1237 CD2 LEU A 84 7.702 2.024 9.149 1.00 0.00 C ATOM 0 H LEU A 84 8.085 5.049 5.256 1.00 0.00 H new ATOM 0 HA LEU A 84 5.531 4.210 6.509 1.00 0.00 H new ATOM 0 HB2 LEU A 84 8.376 3.909 7.258 1.00 0.00 H new ATOM 0 HB3 LEU A 84 7.391 4.619 8.522 1.00 0.00 H new ATOM 0 HG LEU A 84 5.813 2.723 8.333 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.541 0.638 7.186 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.284 1.975 6.040 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.937 1.512 6.513 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.333 1.034 9.416 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.738 1.949 8.820 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.644 2.680 10.018 1.00 0.00 H new ATOM 1249 N GLU A 85 5.292 6.420 7.815 1.00 0.00 N ATOM 1250 CA GLU A 85 5.044 7.708 8.454 1.00 0.00 C ATOM 1251 C GLU A 85 5.675 7.658 9.855 1.00 0.00 C ATOM 1252 O GLU A 85 5.166 6.934 10.719 1.00 0.00 O ATOM 1253 CB GLU A 85 3.538 7.974 8.530 1.00 0.00 C ATOM 1254 CG GLU A 85 3.194 9.389 9.003 1.00 0.00 C ATOM 1255 CD GLU A 85 1.715 9.439 9.391 1.00 0.00 C ATOM 1256 OE1 GLU A 85 0.861 9.409 8.477 1.00 0.00 O ATOM 1257 OE2 GLU A 85 1.424 9.414 10.609 1.00 0.00 O ATOM 0 H GLU A 85 4.640 5.696 8.117 1.00 0.00 H new ATOM 0 HA GLU A 85 5.487 8.522 7.880 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.098 7.810 7.546 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.083 7.252 9.207 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.816 9.663 9.855 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.400 10.111 8.213 1.00 0.00 H new ATOM 1264 N PRO A 86 6.803 8.348 10.093 1.00 0.00 N ATOM 1265 CA PRO A 86 7.371 8.521 11.419 1.00 0.00 C ATOM 1266 C PRO A 86 6.630 9.650 12.162 1.00 0.00 C ATOM 1267 O PRO A 86 6.408 10.715 11.577 1.00 0.00 O ATOM 1268 CB PRO A 86 8.832 8.889 11.166 1.00 0.00 C ATOM 1269 CG PRO A 86 8.792 9.649 9.841 1.00 0.00 C ATOM 1270 CD PRO A 86 7.528 9.162 9.136 1.00 0.00 C ATOM 0 HA PRO A 86 7.283 7.630 12.041 1.00 0.00 H new ATOM 0 HB2 PRO A 86 9.234 9.506 11.969 1.00 0.00 H new ATOM 0 HB3 PRO A 86 9.462 8.002 11.100 1.00 0.00 H new ATOM 0 HG2 PRO A 86 8.760 10.726 10.006 1.00 0.00 H new ATOM 0 HG3 PRO A 86 9.680 9.444 9.243 1.00 0.00 H new ATOM 0 HD2 PRO A 86 6.920 10.004 8.806 1.00 0.00 H new ATOM 0 HD3 PRO A 86 7.779 8.583 8.248 1.00 0.00 H new ATOM 1278 N PRO A 87 6.280 9.483 13.453 1.00 0.00 N ATOM 1279 CA PRO A 87 5.823 10.605 14.271 1.00 0.00 C ATOM 1280 C PRO A 87 6.916 11.685 14.404 1.00 0.00 C ATOM 1281 O PRO A 87 8.094 11.446 14.138 1.00 0.00 O ATOM 1282 CB PRO A 87 5.409 9.989 15.612 1.00 0.00 C ATOM 1283 CG PRO A 87 6.234 8.706 15.689 1.00 0.00 C ATOM 1284 CD PRO A 87 6.337 8.258 14.237 1.00 0.00 C ATOM 0 HA PRO A 87 4.981 11.131 13.821 1.00 0.00 H new ATOM 0 HB2 PRO A 87 5.629 10.657 16.445 1.00 0.00 H new ATOM 0 HB3 PRO A 87 4.340 9.780 15.644 1.00 0.00 H new ATOM 0 HG2 PRO A 87 7.217 8.887 16.123 1.00 0.00 H new ATOM 0 HG3 PRO A 87 5.746 7.952 16.307 1.00 0.00 H new ATOM 0 HD2 PRO A 87 7.267 7.718 14.057 1.00 0.00 H new ATOM 0 HD3 PRO A 87 5.521 7.584 13.974 1.00 0.00 H new ATOM 1292 N PHE A 88 6.515 12.899 14.792 1.00 0.00 N ATOM 1293 CA PHE A 88 7.418 14.049 14.903 1.00 0.00 C ATOM 1294 C PHE A 88 8.088 14.148 16.286 1.00 0.00 C ATOM 1295 O PHE A 88 7.696 13.470 17.236 1.00 0.00 O ATOM 1296 CB PHE A 88 6.668 15.330 14.504 1.00 0.00 C ATOM 1297 CG PHE A 88 6.662 15.574 13.003 1.00 0.00 C ATOM 1298 CD1 PHE A 88 5.788 14.861 12.158 1.00 0.00 C ATOM 1299 CD2 PHE A 88 7.546 16.518 12.445 1.00 0.00 C ATOM 1300 CE1 PHE A 88 5.782 15.108 10.773 1.00 0.00 C ATOM 1301 CE2 PHE A 88 7.537 16.770 11.061 1.00 0.00 C ATOM 1302 CZ PHE A 88 6.648 16.070 10.225 1.00 0.00 C ATOM 0 H PHE A 88 5.549 13.113 15.039 1.00 0.00 H new ATOM 0 HA PHE A 88 8.245 13.909 14.207 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.640 15.268 14.860 1.00 0.00 H new ATOM 0 HB3 PHE A 88 7.127 16.183 15.003 1.00 0.00 H new ATOM 0 HD1 PHE A 88 5.120 14.122 12.575 1.00 0.00 H new ATOM 0 HD2 PHE A 88 8.235 17.051 13.083 1.00 0.00 H new ATOM 0 HE1 PHE A 88 5.111 14.558 10.130 1.00 0.00 H new ATOM 0 HE2 PHE A 88 8.212 17.500 10.640 1.00 0.00 H new ATOM 0 HZ PHE A 88 6.631 16.271 9.164 1.00 0.00 H new ATOM 1312 N GLY A 89 9.123 14.991 16.394 1.00 0.00 N ATOM 1313 CA GLY A 89 10.031 15.030 17.536 1.00 0.00 C ATOM 1314 C GLY A 89 11.050 13.902 17.416 1.00 0.00 C ATOM 1315 O GLY A 89 12.088 14.077 16.779 1.00 0.00 O ATOM 0 H GLY A 89 9.353 15.676 15.674 1.00 0.00 H new ATOM 0 HA2 GLY A 89 10.541 15.992 17.575 1.00 0.00 H new ATOM 0 HA3 GLY A 89 9.469 14.929 18.464 1.00 0.00 H new ATOM 1319 N ASP A 90 10.718 12.731 17.963 1.00 0.00 N ATOM 1320 CA ASP A 90 11.540 11.521 17.898 1.00 0.00 C ATOM 1321 C ASP A 90 10.715 10.346 17.364 1.00 0.00 C ATOM 1322 O ASP A 90 9.511 10.260 17.608 1.00 0.00 O ATOM 1323 CB ASP A 90 12.141 11.207 19.285 1.00 0.00 C ATOM 1324 CG ASP A 90 13.666 11.144 19.224 1.00 0.00 C ATOM 1325 OD1 ASP A 90 14.286 12.179 18.877 1.00 0.00 O ATOM 1326 OD2 ASP A 90 14.231 10.049 19.449 1.00 0.00 O ATOM 0 H ASP A 90 9.847 12.594 18.477 1.00 0.00 H new ATOM 0 HA ASP A 90 12.366 11.689 17.207 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.834 11.971 19.999 1.00 0.00 H new ATOM 0 HB3 ASP A 90 11.749 10.257 19.647 1.00 0.00 H new ATOM 1331 N SER A 91 11.367 9.437 16.634 1.00 0.00 N ATOM 1332 CA SER A 91 10.706 8.301 15.996 1.00 0.00 C ATOM 1333 C SER A 91 11.601 7.065 15.955 1.00 0.00 C ATOM 1334 O SER A 91 12.807 7.145 15.708 1.00 0.00 O ATOM 1335 CB SER A 91 10.239 8.691 14.590 1.00 0.00 C ATOM 1336 OG SER A 91 11.325 8.915 13.712 1.00 0.00 O ATOM 0 H SER A 91 12.373 9.471 16.470 1.00 0.00 H new ATOM 0 HA SER A 91 9.836 8.037 16.598 1.00 0.00 H new ATOM 0 HB2 SER A 91 9.605 7.902 14.187 1.00 0.00 H new ATOM 0 HB3 SER A 91 9.628 9.592 14.648 1.00 0.00 H new ATOM 0 HG SER A 91 12.145 9.043 14.232 1.00 0.00 H new ATOM 1342 N TYR A 92 10.977 5.908 16.166 1.00 0.00 N ATOM 1343 CA TYR A 92 11.591 4.592 16.203 1.00 0.00 C ATOM 1344 C TYR A 92 10.782 3.661 15.303 1.00 0.00 C ATOM 1345 O TYR A 92 9.567 3.499 15.460 1.00 0.00 O ATOM 1346 CB TYR A 92 11.704 4.094 17.653 1.00 0.00 C ATOM 1347 CG TYR A 92 12.432 5.065 18.574 1.00 0.00 C ATOM 1348 CD1 TYR A 92 13.704 5.552 18.219 1.00 0.00 C ATOM 1349 CD2 TYR A 92 11.806 5.555 19.734 1.00 0.00 C ATOM 1350 CE1 TYR A 92 14.323 6.561 18.982 1.00 0.00 C ATOM 1351 CE2 TYR A 92 12.432 6.538 20.525 1.00 0.00 C ATOM 1352 CZ TYR A 92 13.685 7.058 20.137 1.00 0.00 C ATOM 1353 OH TYR A 92 14.248 8.074 20.840 1.00 0.00 O ATOM 0 H TYR A 92 9.970 5.867 16.324 1.00 0.00 H new ATOM 0 HA TYR A 92 12.612 4.624 15.822 1.00 0.00 H new ATOM 0 HB2 TYR A 92 10.703 3.914 18.046 1.00 0.00 H new ATOM 0 HB3 TYR A 92 12.226 3.137 17.661 1.00 0.00 H new ATOM 0 HD1 TYR A 92 14.210 5.148 17.354 1.00 0.00 H new ATOM 0 HD2 TYR A 92 10.837 5.174 20.021 1.00 0.00 H new ATOM 0 HE1 TYR A 92 15.284 6.953 18.683 1.00 0.00 H new ATOM 0 HE2 TYR A 92 11.954 6.893 21.426 1.00 0.00 H new ATOM 0 HH TYR A 92 13.926 8.931 20.491 1.00 0.00 H new ATOM 1363 N ILE A 93 11.480 3.107 14.313 1.00 0.00 N ATOM 1364 CA ILE A 93 10.942 2.271 13.251 1.00 0.00 C ATOM 1365 C ILE A 93 11.354 0.834 13.553 1.00 0.00 C ATOM 1366 O ILE A 93 12.538 0.487 13.503 1.00 0.00 O ATOM 1367 CB ILE A 93 11.420 2.766 11.872 1.00 0.00 C ATOM 1368 CG1 ILE A 93 11.085 4.254 11.599 1.00 0.00 C ATOM 1369 CG2 ILE A 93 10.823 1.865 10.783 1.00 0.00 C ATOM 1370 CD1 ILE A 93 9.630 4.670 11.856 1.00 0.00 C ATOM 0 H ILE A 93 12.488 3.238 14.229 1.00 0.00 H new ATOM 0 HA ILE A 93 9.854 2.324 13.213 1.00 0.00 H new ATOM 0 HB ILE A 93 12.508 2.704 11.861 1.00 0.00 H new ATOM 0 HG12 ILE A 93 11.735 4.872 12.218 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.329 4.477 10.560 1.00 0.00 H new ATOM 0 HG21 ILE A 93 11.156 2.208 9.804 1.00 0.00 H new ATOM 0 HG22 ILE A 93 11.153 0.838 10.939 1.00 0.00 H new ATOM 0 HG23 ILE A 93 9.735 1.908 10.832 1.00 0.00 H new ATOM 0 HD11 ILE A 93 9.510 5.730 11.633 1.00 0.00 H new ATOM 0 HD12 ILE A 93 8.967 4.087 11.217 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.379 4.489 12.901 1.00 0.00 H new ATOM 1382 N VAL A 94 10.370 0.028 13.953 1.00 0.00 N ATOM 1383 CA VAL A 94 10.578 -1.272 14.600 1.00 0.00 C ATOM 1384 C VAL A 94 10.092 -2.385 13.676 1.00 0.00 C ATOM 1385 O VAL A 94 9.070 -2.250 13.002 1.00 0.00 O ATOM 1386 CB VAL A 94 9.906 -1.307 15.988 1.00 0.00 C ATOM 1387 CG1 VAL A 94 10.237 -2.605 16.742 1.00 0.00 C ATOM 1388 CG2 VAL A 94 10.368 -0.108 16.835 1.00 0.00 C ATOM 0 H VAL A 94 9.385 0.264 13.835 1.00 0.00 H new ATOM 0 HA VAL A 94 11.642 -1.431 14.774 1.00 0.00 H new ATOM 0 HB VAL A 94 8.829 -1.259 15.828 1.00 0.00 H new ATOM 0 HG11 VAL A 94 9.747 -2.595 17.716 1.00 0.00 H new ATOM 0 HG12 VAL A 94 9.883 -3.460 16.166 1.00 0.00 H new ATOM 0 HG13 VAL A 94 11.316 -2.681 16.879 1.00 0.00 H new ATOM 0 HG21 VAL A 94 9.886 -0.145 17.812 1.00 0.00 H new ATOM 0 HG22 VAL A 94 11.450 -0.148 16.962 1.00 0.00 H new ATOM 0 HG23 VAL A 94 10.096 0.820 16.331 1.00 0.00 H new ATOM 1398 N VAL A 95 10.860 -3.475 13.624 1.00 0.00 N ATOM 1399 CA VAL A 95 10.731 -4.565 12.657 1.00 0.00 C ATOM 1400 C VAL A 95 10.885 -5.886 13.414 1.00 0.00 C ATOM 1401 O VAL A 95 12.010 -6.295 13.680 1.00 0.00 O ATOM 1402 CB VAL A 95 11.807 -4.426 11.549 1.00 0.00 C ATOM 1403 CG1 VAL A 95 11.656 -5.514 10.477 1.00 0.00 C ATOM 1404 CG2 VAL A 95 11.785 -3.061 10.845 1.00 0.00 C ATOM 0 H VAL A 95 11.622 -3.628 14.284 1.00 0.00 H new ATOM 0 HA VAL A 95 9.756 -4.534 12.170 1.00 0.00 H new ATOM 0 HB VAL A 95 12.758 -4.532 12.071 1.00 0.00 H new ATOM 0 HG11 VAL A 95 12.427 -5.385 9.717 1.00 0.00 H new ATOM 0 HG12 VAL A 95 11.761 -6.496 10.938 1.00 0.00 H new ATOM 0 HG13 VAL A 95 10.673 -5.434 10.014 1.00 0.00 H new ATOM 0 HG21 VAL A 95 12.563 -3.032 10.082 1.00 0.00 H new ATOM 0 HG22 VAL A 95 10.812 -2.909 10.377 1.00 0.00 H new ATOM 0 HG23 VAL A 95 11.964 -2.272 11.575 1.00 0.00 H new ATOM 1414 N GLY A 96 9.800 -6.565 13.798 1.00 0.00 N ATOM 1415 CA GLY A 96 9.933 -7.869 14.456 1.00 0.00 C ATOM 1416 C GLY A 96 8.880 -8.264 15.480 1.00 0.00 C ATOM 1417 O GLY A 96 8.030 -7.480 15.893 1.00 0.00 O ATOM 0 H GLY A 96 8.841 -6.244 13.669 1.00 0.00 H new ATOM 0 HA2 GLY A 96 9.948 -8.634 13.680 1.00 0.00 H new ATOM 0 HA3 GLY A 96 10.905 -7.896 14.949 1.00 0.00 H new ATOM 1421 N ARG A 97 8.997 -9.523 15.910 1.00 0.00 N ATOM 1422 CA ARG A 97 8.066 -10.240 16.783 1.00 0.00 C ATOM 1423 C ARG A 97 8.829 -10.932 17.915 1.00 0.00 C ATOM 1424 O ARG A 97 9.634 -11.828 17.668 1.00 0.00 O ATOM 1425 CB ARG A 97 7.204 -11.221 15.959 1.00 0.00 C ATOM 1426 CG ARG A 97 7.999 -12.188 15.046 1.00 0.00 C ATOM 1427 CD ARG A 97 7.690 -13.686 15.204 1.00 0.00 C ATOM 1428 NE ARG A 97 7.792 -14.150 16.600 1.00 0.00 N ATOM 1429 CZ ARG A 97 6.795 -14.383 17.441 1.00 0.00 C ATOM 1430 NH1 ARG A 97 5.528 -14.246 17.094 1.00 0.00 N ATOM 1431 NH2 ARG A 97 7.056 -14.749 18.672 1.00 0.00 N ATOM 0 H ARG A 97 9.792 -10.103 15.642 1.00 0.00 H new ATOM 0 HA ARG A 97 7.381 -9.530 17.247 1.00 0.00 H new ATOM 0 HB2 ARG A 97 6.597 -11.811 16.645 1.00 0.00 H new ATOM 0 HB3 ARG A 97 6.517 -10.644 15.340 1.00 0.00 H new ATOM 0 HG2 ARG A 97 7.814 -11.908 14.009 1.00 0.00 H new ATOM 0 HG3 ARG A 97 9.062 -12.037 15.232 1.00 0.00 H new ATOM 0 HD2 ARG A 97 6.685 -13.885 14.833 1.00 0.00 H new ATOM 0 HD3 ARG A 97 8.378 -14.261 14.584 1.00 0.00 H new ATOM 0 HE ARG A 97 8.734 -14.309 16.958 1.00 0.00 H new ATOM 0 HH11 ARG A 97 5.287 -13.951 16.148 1.00 0.00 H new ATOM 0 HH12 ARG A 97 4.790 -14.436 17.772 1.00 0.00 H new ATOM 0 HH21 ARG A 97 8.023 -14.853 18.979 1.00 0.00 H new ATOM 0 HH22 ARG A 97 6.292 -14.930 19.323 1.00 0.00 H new ATOM 1445 N GLY A 98 8.580 -10.485 19.150 1.00 0.00 N ATOM 1446 CA GLY A 98 9.184 -10.983 20.389 1.00 0.00 C ATOM 1447 C GLY A 98 10.693 -11.229 20.294 1.00 0.00 C ATOM 1448 O GLY A 98 11.488 -10.295 20.327 1.00 0.00 O ATOM 0 H GLY A 98 7.918 -9.728 19.321 1.00 0.00 H new ATOM 0 HA2 GLY A 98 8.993 -10.266 21.187 1.00 0.00 H new ATOM 0 HA3 GLY A 98 8.692 -11.914 20.672 1.00 0.00 H new ATOM 1452 N GLU A 99 11.064 -12.506 20.182 1.00 0.00 N ATOM 1453 CA GLU A 99 12.430 -13.027 20.121 1.00 0.00 C ATOM 1454 C GLU A 99 13.197 -12.726 18.823 1.00 0.00 C ATOM 1455 O GLU A 99 14.423 -12.812 18.830 1.00 0.00 O ATOM 1456 CB GLU A 99 12.394 -14.546 20.379 1.00 0.00 C ATOM 1457 CG GLU A 99 11.852 -15.433 19.236 1.00 0.00 C ATOM 1458 CD GLU A 99 10.425 -15.092 18.771 1.00 0.00 C ATOM 1459 OE1 GLU A 99 9.561 -14.735 19.608 1.00 0.00 O ATOM 1460 OE2 GLU A 99 10.160 -15.153 17.550 1.00 0.00 O ATOM 0 H GLU A 99 10.371 -13.253 20.128 1.00 0.00 H new ATOM 0 HA GLU A 99 12.988 -12.499 20.894 1.00 0.00 H new ATOM 0 HB2 GLU A 99 13.406 -14.875 20.614 1.00 0.00 H new ATOM 0 HB3 GLU A 99 11.787 -14.726 21.266 1.00 0.00 H new ATOM 0 HG2 GLU A 99 12.525 -15.352 18.383 1.00 0.00 H new ATOM 0 HG3 GLU A 99 11.873 -16.473 19.562 1.00 0.00 H new ATOM 1467 N GLN A 100 12.515 -12.370 17.724 1.00 0.00 N ATOM 1468 CA GLN A 100 13.150 -12.069 16.436 1.00 0.00 C ATOM 1469 C GLN A 100 12.761 -10.656 15.981 1.00 0.00 C ATOM 1470 O GLN A 100 11.690 -10.439 15.406 1.00 0.00 O ATOM 1471 CB GLN A 100 12.921 -13.209 15.415 1.00 0.00 C ATOM 1472 CG GLN A 100 11.475 -13.423 14.940 1.00 0.00 C ATOM 1473 CD GLN A 100 11.265 -14.787 14.290 1.00 0.00 C ATOM 1474 OE1 GLN A 100 11.350 -14.954 13.082 1.00 0.00 O ATOM 1475 NE2 GLN A 100 10.935 -15.797 15.069 1.00 0.00 N ATOM 0 H GLN A 100 11.499 -12.283 17.706 1.00 0.00 H new ATOM 0 HA GLN A 100 14.235 -12.042 16.538 1.00 0.00 H new ATOM 0 HB2 GLN A 100 13.542 -13.014 14.541 1.00 0.00 H new ATOM 0 HB3 GLN A 100 13.276 -14.140 15.857 1.00 0.00 H new ATOM 0 HG2 GLN A 100 10.799 -13.322 15.789 1.00 0.00 H new ATOM 0 HG3 GLN A 100 11.211 -12.641 14.228 1.00 0.00 H new ATOM 0 HE21 GLN A 100 10.863 -15.661 16.077 1.00 0.00 H new ATOM 0 HE22 GLN A 100 10.751 -16.715 14.664 1.00 0.00 H new ATOM 1484 N GLN A 101 13.614 -9.673 16.314 1.00 0.00 N ATOM 1485 CA GLN A 101 13.360 -8.264 16.017 1.00 0.00 C ATOM 1486 C GLN A 101 14.610 -7.431 15.710 1.00 0.00 C ATOM 1487 O GLN A 101 15.726 -7.775 16.095 1.00 0.00 O ATOM 1488 CB GLN A 101 12.511 -7.639 17.150 1.00 0.00 C ATOM 1489 CG GLN A 101 13.288 -7.114 18.378 1.00 0.00 C ATOM 1490 CD GLN A 101 13.348 -5.584 18.414 1.00 0.00 C ATOM 1491 OE1 GLN A 101 14.345 -4.946 18.100 1.00 0.00 O ATOM 1492 NE2 GLN A 101 12.269 -4.931 18.800 1.00 0.00 N ATOM 0 H GLN A 101 14.497 -9.839 16.796 1.00 0.00 H new ATOM 0 HA GLN A 101 12.800 -8.243 15.082 1.00 0.00 H new ATOM 0 HB2 GLN A 101 11.936 -6.814 16.731 1.00 0.00 H new ATOM 0 HB3 GLN A 101 11.794 -8.386 17.492 1.00 0.00 H new ATOM 0 HG2 GLN A 101 12.814 -7.479 19.289 1.00 0.00 H new ATOM 0 HG3 GLN A 101 14.301 -7.515 18.363 1.00 0.00 H new ATOM 0 HE21 GLN A 101 11.429 -5.445 19.065 1.00 0.00 H new ATOM 0 HE22 GLN A 101 12.274 -3.912 18.833 1.00 0.00 H new ATOM 1501 N ILE A 102 14.362 -6.299 15.051 1.00 0.00 N ATOM 1502 CA ILE A 102 15.250 -5.173 14.790 1.00 0.00 C ATOM 1503 C ILE A 102 14.494 -3.878 15.131 1.00 0.00 C ATOM 1504 O ILE A 102 13.261 -3.824 15.098 1.00 0.00 O ATOM 1505 CB ILE A 102 15.730 -5.101 13.308 1.00 0.00 C ATOM 1506 CG1 ILE A 102 15.259 -6.190 12.310 1.00 0.00 C ATOM 1507 CG2 ILE A 102 17.255 -4.923 13.273 1.00 0.00 C ATOM 1508 CD1 ILE A 102 15.982 -7.542 12.360 1.00 0.00 C ATOM 0 H ILE A 102 13.440 -6.135 14.647 1.00 0.00 H new ATOM 0 HA ILE A 102 16.140 -5.303 15.406 1.00 0.00 H new ATOM 0 HB ILE A 102 15.205 -4.230 12.917 1.00 0.00 H new ATOM 0 HG12 ILE A 102 14.197 -6.368 12.479 1.00 0.00 H new ATOM 0 HG13 ILE A 102 15.358 -5.790 11.301 1.00 0.00 H new ATOM 0 HG21 ILE A 102 17.592 -4.873 12.238 1.00 0.00 H new ATOM 0 HG22 ILE A 102 17.526 -4.001 13.788 1.00 0.00 H new ATOM 0 HG23 ILE A 102 17.732 -5.769 13.769 1.00 0.00 H new ATOM 0 HD11 ILE A 102 15.556 -8.211 11.612 1.00 0.00 H new ATOM 0 HD12 ILE A 102 17.042 -7.396 12.153 1.00 0.00 H new ATOM 0 HD13 ILE A 102 15.863 -7.982 13.350 1.00 0.00 H new ATOM 1520 N ASN A 103 15.237 -2.797 15.360 1.00 0.00 N ATOM 1521 CA ASN A 103 14.705 -1.441 15.399 1.00 0.00 C ATOM 1522 C ASN A 103 15.742 -0.452 14.849 1.00 0.00 C ATOM 1523 O ASN A 103 16.944 -0.718 14.883 1.00 0.00 O ATOM 1524 CB ASN A 103 14.226 -1.110 16.829 1.00 0.00 C ATOM 1525 CG ASN A 103 15.295 -1.253 17.904 1.00 0.00 C ATOM 1526 OD1 ASN A 103 15.948 -0.293 18.275 1.00 0.00 O ATOM 1527 ND2 ASN A 103 15.486 -2.432 18.469 1.00 0.00 N ATOM 0 H ASN A 103 16.242 -2.842 15.526 1.00 0.00 H new ATOM 0 HA ASN A 103 13.832 -1.355 14.752 1.00 0.00 H new ATOM 0 HB2 ASN A 103 13.848 -0.088 16.844 1.00 0.00 H new ATOM 0 HB3 ASN A 103 13.389 -1.763 17.078 1.00 0.00 H new ATOM 0 HD21 ASN A 103 16.177 -2.536 19.212 1.00 0.00 H new ATOM 0 HD22 ASN A 103 14.942 -3.239 18.162 1.00 0.00 H new ATOM 1534 N HIS A 104 15.264 0.678 14.325 1.00 0.00 N ATOM 1535 CA HIS A 104 16.067 1.817 13.874 1.00 0.00 C ATOM 1536 C HIS A 104 15.399 3.123 14.321 1.00 0.00 C ATOM 1537 O HIS A 104 14.235 3.128 14.723 1.00 0.00 O ATOM 1538 CB HIS A 104 16.239 1.749 12.346 1.00 0.00 C ATOM 1539 CG HIS A 104 17.409 2.546 11.810 1.00 0.00 C ATOM 1540 ND1 HIS A 104 17.438 3.892 11.497 1.00 0.00 N ATOM 1541 CD2 HIS A 104 18.650 2.033 11.533 1.00 0.00 C ATOM 1542 CE1 HIS A 104 18.670 4.170 11.030 1.00 0.00 C ATOM 1543 NE2 HIS A 104 19.436 3.070 11.027 1.00 0.00 N ATOM 0 H HIS A 104 14.264 0.831 14.198 1.00 0.00 H new ATOM 0 HA HIS A 104 17.060 1.783 14.322 1.00 0.00 H new ATOM 0 HB2 HIS A 104 16.361 0.706 12.053 1.00 0.00 H new ATOM 0 HB3 HIS A 104 15.324 2.108 11.874 1.00 0.00 H new ATOM 0 HD1 HIS A 104 16.668 4.553 11.601 1.00 0.00 H new ATOM 0 HD2 HIS A 104 18.963 1.010 11.680 1.00 0.00 H new ATOM 0 HE1 HIS A 104 18.996 5.146 10.703 1.00 0.00 H new ATOM 1551 N HIS A 105 16.120 4.242 14.233 1.00 0.00 N ATOM 1552 CA HIS A 105 15.672 5.541 14.730 1.00 0.00 C ATOM 1553 C HIS A 105 15.693 6.621 13.643 1.00 0.00 C ATOM 1554 O HIS A 105 16.394 6.487 12.635 1.00 0.00 O ATOM 1555 CB HIS A 105 16.493 5.913 15.979 1.00 0.00 C ATOM 1556 CG HIS A 105 17.989 6.040 15.804 1.00 0.00 C ATOM 1557 ND1 HIS A 105 18.721 7.193 15.973 1.00 0.00 N ATOM 1558 CD2 HIS A 105 18.882 5.017 15.612 1.00 0.00 C ATOM 1559 CE1 HIS A 105 20.023 6.873 15.879 1.00 0.00 C ATOM 1560 NE2 HIS A 105 20.169 5.559 15.650 1.00 0.00 N ATOM 0 H HIS A 105 17.046 4.270 13.807 1.00 0.00 H new ATOM 0 HA HIS A 105 14.624 5.471 15.023 1.00 0.00 H new ATOM 0 HB2 HIS A 105 16.115 6.861 16.363 1.00 0.00 H new ATOM 0 HB3 HIS A 105 16.304 5.161 16.745 1.00 0.00 H new ATOM 0 HD1 HIS A 105 18.342 8.125 16.140 1.00 0.00 H new ATOM 0 HD2 HIS A 105 18.634 3.977 15.459 1.00 0.00 H new ATOM 0 HE1 HIS A 105 20.838 7.575 15.974 1.00 0.00 H new ATOM 1568 N TRP A 106 14.895 7.675 13.860 1.00 0.00 N ATOM 1569 CA TRP A 106 14.894 8.925 13.100 1.00 0.00 C ATOM 1570 C TRP A 106 14.358 10.080 13.955 1.00 0.00 C ATOM 1571 O TRP A 106 13.502 9.885 14.821 1.00 0.00 O ATOM 1572 CB TRP A 106 14.072 8.779 11.807 1.00 0.00 C ATOM 1573 CG TRP A 106 14.852 9.093 10.573 1.00 0.00 C ATOM 1574 CD1 TRP A 106 15.655 8.219 9.931 1.00 0.00 C ATOM 1575 CD2 TRP A 106 14.962 10.350 9.838 1.00 0.00 C ATOM 1576 NE1 TRP A 106 16.230 8.830 8.839 1.00 0.00 N ATOM 1577 CE2 TRP A 106 15.879 10.162 8.759 1.00 0.00 C ATOM 1578 CE3 TRP A 106 14.380 11.628 9.969 1.00 0.00 C ATOM 1579 CZ2 TRP A 106 16.229 11.195 7.877 1.00 0.00 C ATOM 1580 CZ3 TRP A 106 14.705 12.666 9.075 1.00 0.00 C ATOM 1581 CH2 TRP A 106 15.639 12.460 8.043 1.00 0.00 C ATOM 0 H TRP A 106 14.200 7.676 14.607 1.00 0.00 H new ATOM 0 HA TRP A 106 15.923 9.154 12.824 1.00 0.00 H new ATOM 0 HB2 TRP A 106 13.693 7.759 11.739 1.00 0.00 H new ATOM 0 HB3 TRP A 106 13.206 9.439 11.859 1.00 0.00 H new ATOM 0 HD1 TRP A 106 15.822 7.194 10.229 1.00 0.00 H new ATOM 0 HE1 TRP A 106 16.840 8.357 8.172 1.00 0.00 H new ATOM 0 HE3 TRP A 106 13.675 11.813 10.766 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 16.940 11.021 7.083 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 14.232 13.631 9.183 1.00 0.00 H new ATOM 0 HH2 TRP A 106 15.902 13.271 7.380 1.00 0.00 H new ATOM 1592 N HIS A 107 14.818 11.297 13.666 1.00 0.00 N ATOM 1593 CA HIS A 107 14.607 12.489 14.492 1.00 0.00 C ATOM 1594 C HIS A 107 14.020 13.612 13.623 1.00 0.00 C ATOM 1595 O HIS A 107 14.400 13.747 12.455 1.00 0.00 O ATOM 1596 CB HIS A 107 15.948 12.841 15.152 1.00 0.00 C ATOM 1597 CG HIS A 107 16.535 11.675 15.917 1.00 0.00 C ATOM 1598 ND1 HIS A 107 16.065 11.157 17.103 1.00 0.00 N ATOM 1599 CD2 HIS A 107 17.541 10.853 15.488 1.00 0.00 C ATOM 1600 CE1 HIS A 107 16.760 10.043 17.375 1.00 0.00 C ATOM 1601 NE2 HIS A 107 17.680 9.821 16.421 1.00 0.00 N ATOM 0 H HIS A 107 15.364 11.488 12.826 1.00 0.00 H new ATOM 0 HA HIS A 107 13.883 12.322 15.289 1.00 0.00 H new ATOM 0 HB2 HIS A 107 16.654 13.163 14.386 1.00 0.00 H new ATOM 0 HB3 HIS A 107 15.807 13.683 15.829 1.00 0.00 H new ATOM 0 HD1 HIS A 107 15.318 11.552 17.675 1.00 0.00 H new ATOM 0 HD2 HIS A 107 18.124 10.979 14.588 1.00 0.00 H new ATOM 0 HE1 HIS A 107 16.603 9.413 18.238 1.00 0.00 H new ATOM 1609 N LYS A 108 13.016 14.340 14.131 1.00 0.00 N ATOM 1610 CA LYS A 108 12.017 15.020 13.292 1.00 0.00 C ATOM 1611 C LYS A 108 11.628 16.408 13.811 1.00 0.00 C ATOM 1612 O LYS A 108 10.640 16.554 14.532 1.00 0.00 O ATOM 1613 CB LYS A 108 10.775 14.116 13.161 1.00 0.00 C ATOM 1614 CG LYS A 108 10.958 12.872 12.274 1.00 0.00 C ATOM 1615 CD LYS A 108 10.706 13.148 10.784 1.00 0.00 C ATOM 1616 CE LYS A 108 9.201 13.290 10.515 1.00 0.00 C ATOM 1617 NZ LYS A 108 8.928 13.344 9.064 1.00 0.00 N ATOM 0 H LYS A 108 12.873 14.474 15.132 1.00 0.00 H new ATOM 0 HA LYS A 108 12.468 15.189 12.314 1.00 0.00 H new ATOM 0 HB2 LYS A 108 10.476 13.791 14.157 1.00 0.00 H new ATOM 0 HB3 LYS A 108 9.954 14.710 12.760 1.00 0.00 H new ATOM 0 HG2 LYS A 108 11.971 12.490 12.400 1.00 0.00 H new ATOM 0 HG3 LYS A 108 10.278 12.090 12.612 1.00 0.00 H new ATOM 0 HD2 LYS A 108 11.224 14.059 10.483 1.00 0.00 H new ATOM 0 HD3 LYS A 108 11.115 12.336 10.183 1.00 0.00 H new ATOM 0 HE2 LYS A 108 8.667 12.449 10.959 1.00 0.00 H new ATOM 0 HE3 LYS A 108 8.826 14.194 10.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 8.191 12.651 8.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 8.603 14.298 8.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 9.798 13.122 8.539 1.00 0.00 H new ATOM 1631 N SER A 109 12.342 17.432 13.327 1.00 0.00 N ATOM 1632 CA SER A 109 11.990 18.858 13.366 1.00 0.00 C ATOM 1633 C SER A 109 12.192 19.518 14.736 1.00 0.00 C ATOM 1634 O SER A 109 11.629 20.593 14.970 1.00 0.00 O ATOM 1635 CB SER A 109 10.562 19.082 12.835 1.00 0.00 C ATOM 1636 OG SER A 109 10.317 20.463 12.694 1.00 0.00 O ATOM 0 H SER A 109 13.239 17.277 12.868 1.00 0.00 H new ATOM 0 HA SER A 109 12.696 19.359 12.704 1.00 0.00 H new ATOM 0 HB2 SER A 109 10.438 18.581 11.875 1.00 0.00 H new ATOM 0 HB3 SER A 109 9.836 18.642 13.519 1.00 0.00 H new ATOM 0 HG SER A 109 10.717 20.945 13.448 1.00 0.00 H new ATOM 1642 N GLY A 110 12.965 18.901 15.637 1.00 0.00 N ATOM 1643 CA GLY A 110 13.121 19.407 17.002 1.00 0.00 C ATOM 1644 C GLY A 110 13.429 18.356 18.068 1.00 0.00 C ATOM 1645 O GLY A 110 13.115 18.589 19.233 1.00 0.00 O ATOM 0 H GLY A 110 13.492 18.050 15.443 1.00 0.00 H new ATOM 0 HA2 GLY A 110 13.921 20.147 17.006 1.00 0.00 H new ATOM 0 HA3 GLY A 110 12.205 19.926 17.284 1.00 0.00 H new ATOM 1649 N SER A 111 14.032 17.215 17.710 1.00 0.00 N ATOM 1650 CA SER A 111 14.596 16.305 18.712 1.00 0.00 C ATOM 1651 C SER A 111 15.741 16.978 19.477 1.00 0.00 C ATOM 1652 O SER A 111 16.440 17.840 18.937 1.00 0.00 O ATOM 1653 CB SER A 111 15.133 15.052 18.023 1.00 0.00 C ATOM 1654 OG SER A 111 15.634 14.137 18.978 1.00 0.00 O ATOM 0 H SER A 111 14.141 16.903 16.745 1.00 0.00 H new ATOM 0 HA SER A 111 13.806 16.040 19.415 1.00 0.00 H new ATOM 0 HB2 SER A 111 14.340 14.582 17.441 1.00 0.00 H new ATOM 0 HB3 SER A 111 15.923 15.325 17.323 1.00 0.00 H new ATOM 0 HG SER A 111 15.480 13.221 18.666 1.00 0.00 H new ATOM 1660 N SER A 112 16.027 16.504 20.694 1.00 0.00 N ATOM 1661 CA SER A 112 17.252 16.841 21.426 1.00 0.00 C ATOM 1662 C SER A 112 18.530 16.377 20.709 1.00 0.00 C ATOM 1663 O SER A 112 19.605 16.899 20.989 1.00 0.00 O ATOM 1664 CB SER A 112 17.204 16.229 22.825 1.00 0.00 C ATOM 1665 OG SER A 112 17.063 14.825 22.722 1.00 0.00 O ATOM 0 H SER A 112 15.410 15.871 21.203 1.00 0.00 H new ATOM 0 HA SER A 112 17.293 17.929 21.484 1.00 0.00 H new ATOM 0 HB2 SER A 112 18.114 16.474 23.372 1.00 0.00 H new ATOM 0 HB3 SER A 112 16.370 16.648 23.388 1.00 0.00 H new ATOM 0 HG SER A 112 17.034 14.432 23.619 1.00 0.00 H new ATOM 1671 N ILE A 113 18.407 15.458 19.739 1.00 0.00 N ATOM 1672 CA ILE A 113 19.450 15.091 18.769 1.00 0.00 C ATOM 1673 C ILE A 113 19.763 16.251 17.790 1.00 0.00 C ATOM 1674 O ILE A 113 20.765 16.203 17.081 1.00 0.00 O ATOM 1675 CB ILE A 113 19.020 13.772 18.068 1.00 0.00 C ATOM 1676 CG1 ILE A 113 18.910 12.598 19.077 1.00 0.00 C ATOM 1677 CG2 ILE A 113 19.921 13.352 16.892 1.00 0.00 C ATOM 1678 CD1 ILE A 113 20.235 12.028 19.606 1.00 0.00 C ATOM 0 H ILE A 113 17.545 14.930 19.604 1.00 0.00 H new ATOM 0 HA ILE A 113 20.396 14.911 19.280 1.00 0.00 H new ATOM 0 HB ILE A 113 18.039 13.996 17.649 1.00 0.00 H new ATOM 0 HG12 ILE A 113 18.318 12.933 19.928 1.00 0.00 H new ATOM 0 HG13 ILE A 113 18.355 11.789 18.601 1.00 0.00 H new ATOM 0 HG21 ILE A 113 19.548 12.422 16.462 1.00 0.00 H new ATOM 0 HG22 ILE A 113 19.914 14.132 16.131 1.00 0.00 H new ATOM 0 HG23 ILE A 113 20.940 13.203 17.249 1.00 0.00 H new ATOM 0 HD11 ILE A 113 20.029 11.214 20.302 1.00 0.00 H new ATOM 0 HD12 ILE A 113 20.828 11.651 18.772 1.00 0.00 H new ATOM 0 HD13 ILE A 113 20.789 12.813 20.120 1.00 0.00 H new ATOM 1690 N GLY A 114 18.952 17.323 17.774 1.00 0.00 N ATOM 1691 CA GLY A 114 19.182 18.547 16.997 1.00 0.00 C ATOM 1692 C GLY A 114 18.525 18.539 15.613 1.00 0.00 C ATOM 1693 O GLY A 114 18.936 19.306 14.744 1.00 0.00 O ATOM 0 H GLY A 114 18.091 17.360 18.320 1.00 0.00 H new ATOM 0 HA2 GLY A 114 18.805 19.400 17.562 1.00 0.00 H new ATOM 0 HA3 GLY A 114 20.256 18.693 16.877 1.00 0.00 H new ATOM 1697 N LYS A 115 17.558 17.639 15.387 1.00 0.00 N ATOM 1698 CA LYS A 115 17.085 17.215 14.065 1.00 0.00 C ATOM 1699 C LYS A 115 15.560 16.997 14.017 1.00 0.00 C ATOM 1700 O LYS A 115 14.916 16.873 15.086 1.00 0.00 O ATOM 1701 CB LYS A 115 17.961 15.999 13.666 1.00 0.00 C ATOM 1702 CG LYS A 115 17.593 15.247 12.381 1.00 0.00 C ATOM 1703 CD LYS A 115 17.558 16.116 11.109 1.00 0.00 C ATOM 1704 CE LYS A 115 16.538 15.605 10.086 1.00 0.00 C ATOM 1705 NZ LYS A 115 15.167 15.644 10.646 1.00 0.00 N ATOM 0 H LYS A 115 17.067 17.170 16.148 1.00 0.00 H new ATOM 0 HA LYS A 115 17.210 17.995 13.314 1.00 0.00 H new ATOM 0 HB2 LYS A 115 18.990 16.344 13.570 1.00 0.00 H new ATOM 0 HB3 LYS A 115 17.940 15.286 14.490 1.00 0.00 H new ATOM 0 HG2 LYS A 115 18.309 14.439 12.232 1.00 0.00 H new ATOM 0 HG3 LYS A 115 16.615 14.785 12.515 1.00 0.00 H new ATOM 0 HD2 LYS A 115 17.315 17.143 11.380 1.00 0.00 H new ATOM 0 HD3 LYS A 115 18.549 16.132 10.655 1.00 0.00 H new ATOM 0 HE2 LYS A 115 16.585 16.215 9.184 1.00 0.00 H new ATOM 0 HE3 LYS A 115 16.788 14.585 9.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 14.491 15.882 9.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 14.928 14.714 11.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 15.118 16.364 11.395 1.00 0.00 H new TER 1719 LYS A 115