USER MOD reduce.3.24.130724 H: found=0, std=0, add=812, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 812 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 29 ASN : amide:sc= -2.65! K(o=-13!,f=-16) USER MOD Set 1.2: A 74 GLN : amide:sc= -10.4! C(o=-13!,f=-16!) USER MOD Set 2.1: A 61 MET CE :methyl -121:sc= 0 (180deg=0) USER MOD Set 2.2: A 65 GLN : amide:sc= -2.87! K(o=-2.9!,f=-1.4) USER MOD Set 3.1: A 45 HIS : no HD1:sc= -6.25! C(o=-6.3!,f=-6.5!) USER MOD Set 3.2: A 48 MET CE :methyl -161:sc= -0.056 (180deg=-0.92) USER MOD Set 4.1: A 20 ASN : amide:sc= 0 X(o=-0.17,f=-0.34) USER MOD Set 4.2: A 30 MET CE :methyl -159:sc= -0.17 (180deg=-1.08) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -152:sc= -0.197 (180deg=-0.989) USER MOD Single : A 6 ASN : amide:sc= -2.59! K(o=-2.6!,f=-1.2) USER MOD Single : A 13 GLN : amide:sc= -1.14 K(o=-1.1,f=-0.014) USER MOD Single : A 17 LYS NZ :NH3+ 166:sc= -3.57! (180deg=-4.08!) USER MOD Single : A 18 HIS : no HD1:sc= -0.345 X(o=-0.35,f=-0.64) USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 22 HIS : no HD1:sc= -2.21 K(o=-2.2,f=-3.2!) USER MOD Single : A 24 GLN : amide:sc= -8.68! C(o=-8.7!,f=-18!) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -5.54! K(o=-5.5!,f=-0.56) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.0567 X(o=-0.057,f=-0.49) USER MOD Single : A 36 HIS : no HD1:sc= -2.51! C(o=-2.5!,f=-2.8!) USER MOD Single : A 38 GLN : amide:sc= -5.66! C(o=-5.7!,f=-9.1!) USER MOD Single : A 39 ASN : amide:sc= -3.7! C(o=-3.7!,f=-7!) USER MOD Single : A 49 GLN : amide:sc= -12! C(o=-12!,f=-9!) USER MOD Single : A 53 SER OG : rot 180:sc= -0.744 USER MOD Single : A 56 LYS NZ :NH3+ -168:sc= -0.469 (180deg=-1.13) USER MOD Single : A 58 GLN : amide:sc= -1.76 K(o=-1.8,f=-0.72) USER MOD Single : A 60 MET CE :methyl -124:sc= -2.16 (180deg=-6.68!) USER MOD Single : A 62 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0997) USER MOD Single : A 66 GLN : amide:sc= -0.035 X(o=-0.035,f=-0.035) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.138 X(o=-0.14,f=-0.12) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 80 ASN : amide:sc= -0.526 K(o=-0.53,f=-3!) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= -0.0246 X(o=-0.025,f=0) USER MOD Single : A 84 ASN : amide:sc= -2.27! K(o=-2.3!,f=-1.6) USER MOD Single : A 86 HIS : no HE2:sc= -0.673 K(o=-0.67,f=-2.7) USER MOD Single : A 88 ASN : amide:sc= -0.448 K(o=-0.45,f=-2.9!) USER MOD Single : A 90 LYS NZ :NH3+ 149:sc= -0.312 (180deg=-1.81!) USER MOD Single : A 94 HIS : no HD1:sc= -0.321 X(o=-0.32,f=0.053) USER MOD Single : A 95 HIS : no HD1:sc= -0.425 K(o=-0.43,f=-1.1!) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.134 -19.257 -10.451 1.00 0.00 N ATOM 2 CA MET A 1 4.172 -17.804 -10.119 1.00 0.00 C ATOM 3 C MET A 1 3.288 -17.034 -11.102 1.00 0.00 C ATOM 4 O MET A 1 3.735 -16.599 -12.145 1.00 0.00 O ATOM 5 CB MET A 1 5.612 -17.294 -10.218 1.00 0.00 C ATOM 6 CG MET A 1 5.659 -15.814 -9.835 1.00 0.00 C ATOM 7 SD MET A 1 5.449 -14.799 -11.319 1.00 0.00 S ATOM 8 CE MET A 1 7.199 -14.690 -11.771 1.00 0.00 C ATOM 0 H1 MET A 1 4.735 -19.781 -9.783 1.00 0.00 H new ATOM 0 H2 MET A 1 3.156 -19.603 -10.382 1.00 0.00 H new ATOM 0 H3 MET A 1 4.485 -19.401 -11.419 1.00 0.00 H new ATOM 0 HA MET A 1 3.804 -17.653 -9.104 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.259 -17.872 -9.558 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.988 -17.430 -11.232 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.873 -15.589 -9.114 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.609 -15.582 -9.354 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.304 -14.095 -12.678 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.755 -14.218 -10.961 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.593 -15.691 -11.946 1.00 0.00 H new ATOM 20 N TYR A 2 2.033 -16.863 -10.777 1.00 0.00 N ATOM 21 CA TYR A 2 1.120 -16.122 -11.693 1.00 0.00 C ATOM 22 C TYR A 2 1.781 -14.812 -12.127 1.00 0.00 C ATOM 23 O TYR A 2 2.169 -14.648 -13.265 1.00 0.00 O ATOM 24 CB TYR A 2 -0.192 -15.814 -10.964 1.00 0.00 C ATOM 25 CG TYR A 2 -0.113 -16.330 -9.547 1.00 0.00 C ATOM 26 CD1 TYR A 2 0.546 -15.581 -8.565 1.00 0.00 C ATOM 27 CD2 TYR A 2 -0.699 -17.557 -9.215 1.00 0.00 C ATOM 28 CE1 TYR A 2 0.620 -16.059 -7.252 1.00 0.00 C ATOM 29 CE2 TYR A 2 -0.626 -18.036 -7.900 1.00 0.00 C ATOM 30 CZ TYR A 2 0.034 -17.286 -6.919 1.00 0.00 C ATOM 31 OH TYR A 2 0.107 -17.758 -5.625 1.00 0.00 O ATOM 0 H TYR A 2 1.603 -17.204 -9.918 1.00 0.00 H new ATOM 0 HA TYR A 2 0.915 -16.732 -12.572 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -0.376 -14.740 -10.962 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -1.028 -16.279 -11.486 1.00 0.00 H new ATOM 0 HD1 TYR A 2 0.997 -14.634 -8.821 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -1.208 -18.135 -9.973 1.00 0.00 H new ATOM 0 HE1 TYR A 2 1.129 -15.481 -6.495 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -1.078 -18.983 -7.644 1.00 0.00 H new ATOM 0 HH TYR A 2 -0.352 -18.622 -5.566 1.00 0.00 H new ATOM 41 N GLY A 3 1.910 -13.876 -11.226 1.00 0.00 N ATOM 42 CA GLY A 3 2.544 -12.575 -11.585 1.00 0.00 C ATOM 43 C GLY A 3 1.558 -11.437 -11.314 1.00 0.00 C ATOM 44 O GLY A 3 1.945 -10.305 -11.105 1.00 0.00 O ATOM 0 H GLY A 3 1.604 -13.956 -10.256 1.00 0.00 H new ATOM 0 HA2 GLY A 3 3.454 -12.429 -11.003 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.834 -12.577 -12.636 1.00 0.00 H new ATOM 48 N LYS A 4 0.285 -11.728 -11.314 1.00 0.00 N ATOM 49 CA LYS A 4 -0.725 -10.663 -11.057 1.00 0.00 C ATOM 50 C LYS A 4 -0.234 -9.743 -9.941 1.00 0.00 C ATOM 51 O LYS A 4 -0.360 -8.537 -10.025 1.00 0.00 O ATOM 52 CB LYS A 4 -2.048 -11.303 -10.642 1.00 0.00 C ATOM 53 CG LYS A 4 -2.398 -12.421 -11.624 1.00 0.00 C ATOM 54 CD LYS A 4 -3.915 -12.479 -11.816 1.00 0.00 C ATOM 55 CE LYS A 4 -4.247 -13.386 -13.001 1.00 0.00 C ATOM 56 NZ LYS A 4 -3.661 -12.813 -14.246 1.00 0.00 N ATOM 0 H LYS A 4 -0.099 -12.658 -11.481 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.871 -10.080 -11.967 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -1.971 -11.702 -9.631 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -2.839 -10.554 -10.629 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -1.907 -12.245 -12.581 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -2.032 -13.377 -11.248 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -4.392 -12.856 -10.911 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -4.308 -11.477 -11.990 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -3.852 -14.387 -12.828 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -5.328 -13.483 -13.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -4.232 -13.105 -15.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -3.654 -11.775 -14.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -2.687 -13.159 -14.362 1.00 0.00 H new ATOM 70 N LEU A 5 0.323 -10.289 -8.893 1.00 0.00 N ATOM 71 CA LEU A 5 0.806 -9.411 -7.795 1.00 0.00 C ATOM 72 C LEU A 5 1.501 -8.210 -8.420 1.00 0.00 C ATOM 73 O LEU A 5 1.169 -7.079 -8.143 1.00 0.00 O ATOM 74 CB LEU A 5 1.801 -10.150 -6.898 1.00 0.00 C ATOM 75 CG LEU A 5 1.163 -11.394 -6.266 1.00 0.00 C ATOM 76 CD1 LEU A 5 -0.357 -11.236 -6.155 1.00 0.00 C ATOM 77 CD2 LEU A 5 1.491 -12.623 -7.115 1.00 0.00 C ATOM 0 H LEU A 5 0.462 -11.290 -8.753 1.00 0.00 H new ATOM 0 HA LEU A 5 -0.042 -9.102 -7.184 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.673 -10.443 -7.483 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.153 -9.481 -6.113 1.00 0.00 H new ATOM 0 HG LEU A 5 1.569 -11.518 -5.262 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.784 -12.132 -5.704 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.588 -10.371 -5.533 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -0.781 -11.093 -7.149 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.038 -13.507 -6.666 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.097 -12.485 -8.122 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.572 -12.754 -7.163 1.00 0.00 H new ATOM 89 N ASN A 6 2.459 -8.449 -9.274 1.00 0.00 N ATOM 90 CA ASN A 6 3.161 -7.314 -9.925 1.00 0.00 C ATOM 91 C ASN A 6 2.134 -6.214 -10.202 1.00 0.00 C ATOM 92 O ASN A 6 2.418 -5.039 -10.079 1.00 0.00 O ATOM 93 CB ASN A 6 3.810 -7.799 -11.232 1.00 0.00 C ATOM 94 CG ASN A 6 3.136 -7.143 -12.442 1.00 0.00 C ATOM 95 OD1 ASN A 6 3.720 -6.302 -13.096 1.00 0.00 O ATOM 96 ND2 ASN A 6 1.922 -7.495 -12.768 1.00 0.00 N ATOM 0 H ASN A 6 2.782 -9.377 -9.546 1.00 0.00 H new ATOM 0 HA ASN A 6 3.947 -6.921 -9.280 1.00 0.00 H new ATOM 0 HB2 ASN A 6 4.874 -7.560 -11.227 1.00 0.00 H new ATOM 0 HB3 ASN A 6 3.727 -8.883 -11.306 1.00 0.00 H new ATOM 0 HD21 ASN A 6 1.464 -7.064 -13.571 1.00 0.00 H new ATOM 0 HD22 ASN A 6 1.431 -8.201 -12.219 1.00 0.00 H new ATOM 103 N ASP A 7 0.931 -6.590 -10.550 1.00 0.00 N ATOM 104 CA ASP A 7 -0.117 -5.563 -10.802 1.00 0.00 C ATOM 105 C ASP A 7 -0.460 -4.906 -9.468 1.00 0.00 C ATOM 106 O ASP A 7 -0.577 -3.701 -9.365 1.00 0.00 O ATOM 107 CB ASP A 7 -1.365 -6.229 -11.382 1.00 0.00 C ATOM 108 CG ASP A 7 -2.209 -5.183 -12.111 1.00 0.00 C ATOM 109 OD1 ASP A 7 -1.911 -4.907 -13.263 1.00 0.00 O ATOM 110 OD2 ASP A 7 -3.140 -4.676 -11.507 1.00 0.00 O ATOM 0 H ASP A 7 0.632 -7.558 -10.669 1.00 0.00 H new ATOM 0 HA ASP A 7 0.244 -4.819 -11.513 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -1.079 -7.025 -12.070 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -1.948 -6.691 -10.585 1.00 0.00 H new ATOM 115 N LEU A 8 -0.593 -5.697 -8.439 1.00 0.00 N ATOM 116 CA LEU A 8 -0.895 -5.136 -7.094 1.00 0.00 C ATOM 117 C LEU A 8 0.357 -4.434 -6.583 1.00 0.00 C ATOM 118 O LEU A 8 0.308 -3.347 -6.041 1.00 0.00 O ATOM 119 CB LEU A 8 -1.239 -6.279 -6.131 1.00 0.00 C ATOM 120 CG LEU A 8 -2.749 -6.386 -5.945 1.00 0.00 C ATOM 121 CD1 LEU A 8 -3.290 -5.051 -5.438 1.00 0.00 C ATOM 122 CD2 LEU A 8 -3.404 -6.745 -7.282 1.00 0.00 C ATOM 0 H LEU A 8 -0.505 -6.713 -8.473 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.734 -4.443 -7.156 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.847 -7.219 -6.519 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.759 -6.107 -5.167 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.977 -7.165 -5.218 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.369 -5.123 -5.304 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.821 -4.807 -4.485 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.066 -4.269 -6.163 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.483 -6.822 -7.150 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.183 -5.970 -8.015 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.013 -7.700 -7.634 1.00 0.00 H new ATOM 134 N LEU A 9 1.481 -5.071 -6.751 1.00 0.00 N ATOM 135 CA LEU A 9 2.762 -4.488 -6.283 1.00 0.00 C ATOM 136 C LEU A 9 3.066 -3.200 -7.050 1.00 0.00 C ATOM 137 O LEU A 9 3.100 -2.123 -6.487 1.00 0.00 O ATOM 138 CB LEU A 9 3.882 -5.501 -6.534 1.00 0.00 C ATOM 139 CG LEU A 9 5.093 -5.160 -5.670 1.00 0.00 C ATOM 140 CD1 LEU A 9 6.095 -6.312 -5.723 1.00 0.00 C ATOM 141 CD2 LEU A 9 5.757 -3.888 -6.199 1.00 0.00 C ATOM 0 H LEU A 9 1.565 -5.983 -7.199 1.00 0.00 H new ATOM 0 HA LEU A 9 2.690 -4.257 -5.220 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.532 -6.507 -6.304 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.162 -5.493 -7.587 1.00 0.00 H new ATOM 0 HG LEU A 9 4.771 -5.002 -4.641 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.961 -6.070 -5.106 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.625 -7.221 -5.348 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.416 -6.468 -6.753 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.622 -3.645 -5.581 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.079 -4.047 -7.228 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.044 -3.064 -6.165 1.00 0.00 H new ATOM 153 N GLU A 10 3.299 -3.304 -8.330 1.00 0.00 N ATOM 154 CA GLU A 10 3.615 -2.090 -9.132 1.00 0.00 C ATOM 155 C GLU A 10 2.593 -0.991 -8.834 1.00 0.00 C ATOM 156 O GLU A 10 2.940 0.102 -8.434 1.00 0.00 O ATOM 157 CB GLU A 10 3.567 -2.436 -10.623 1.00 0.00 C ATOM 158 CG GLU A 10 4.207 -1.306 -11.431 1.00 0.00 C ATOM 159 CD GLU A 10 5.707 -1.569 -11.580 1.00 0.00 C ATOM 160 OE1 GLU A 10 6.231 -2.354 -10.807 1.00 0.00 O ATOM 161 OE2 GLU A 10 6.306 -0.980 -12.465 1.00 0.00 O ATOM 0 H GLU A 10 3.284 -4.179 -8.855 1.00 0.00 H new ATOM 0 HA GLU A 10 4.612 -1.737 -8.869 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.094 -3.372 -10.807 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.535 -2.584 -10.940 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.740 -1.238 -12.413 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.043 -0.351 -10.933 1.00 0.00 H new ATOM 168 N ASP A 11 1.336 -1.271 -9.031 1.00 0.00 N ATOM 169 CA ASP A 11 0.293 -0.241 -8.765 1.00 0.00 C ATOM 170 C ASP A 11 0.414 0.259 -7.324 1.00 0.00 C ATOM 171 O ASP A 11 0.404 1.446 -7.067 1.00 0.00 O ATOM 172 CB ASP A 11 -1.090 -0.858 -8.977 1.00 0.00 C ATOM 173 CG ASP A 11 -1.304 -1.121 -10.468 1.00 0.00 C ATOM 174 OD1 ASP A 11 -1.133 -0.194 -11.242 1.00 0.00 O ATOM 175 OD2 ASP A 11 -1.632 -2.244 -10.811 1.00 0.00 O ATOM 0 H ASP A 11 0.985 -2.169 -9.365 1.00 0.00 H new ATOM 0 HA ASP A 11 0.430 0.598 -9.447 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.175 -1.789 -8.416 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.862 -0.187 -8.600 1.00 0.00 H new ATOM 180 N LEU A 12 0.522 -0.637 -6.382 1.00 0.00 N ATOM 181 CA LEU A 12 0.638 -0.213 -4.958 1.00 0.00 C ATOM 182 C LEU A 12 1.855 0.698 -4.786 1.00 0.00 C ATOM 183 O LEU A 12 1.746 1.806 -4.299 1.00 0.00 O ATOM 184 CB LEU A 12 0.795 -1.455 -4.075 1.00 0.00 C ATOM 185 CG LEU A 12 1.281 -1.045 -2.682 1.00 0.00 C ATOM 186 CD1 LEU A 12 0.318 -0.020 -2.081 1.00 0.00 C ATOM 187 CD2 LEU A 12 1.333 -2.281 -1.781 1.00 0.00 C ATOM 0 H LEU A 12 0.535 -1.645 -6.537 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.259 0.334 -4.666 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.157 -1.980 -3.998 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.505 -2.147 -4.528 1.00 0.00 H new ATOM 0 HG LEU A 12 2.275 -0.604 -2.760 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.667 0.269 -1.090 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.277 0.860 -2.723 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.677 -0.458 -2.002 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.679 -1.993 -0.788 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.338 -2.719 -1.706 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.020 -3.013 -2.206 1.00 0.00 H new ATOM 199 N GLN A 13 3.015 0.244 -5.173 1.00 0.00 N ATOM 200 CA GLN A 13 4.229 1.094 -5.020 1.00 0.00 C ATOM 201 C GLN A 13 4.115 2.315 -5.933 1.00 0.00 C ATOM 202 O GLN A 13 4.881 3.253 -5.828 1.00 0.00 O ATOM 203 CB GLN A 13 5.478 0.284 -5.380 1.00 0.00 C ATOM 204 CG GLN A 13 5.786 0.425 -6.871 1.00 0.00 C ATOM 205 CD GLN A 13 6.927 -0.522 -7.237 1.00 0.00 C ATOM 206 OE1 GLN A 13 7.105 -0.864 -8.389 1.00 0.00 O ATOM 207 NE2 GLN A 13 7.715 -0.962 -6.293 1.00 0.00 N ATOM 0 H GLN A 13 3.175 -0.675 -5.587 1.00 0.00 H new ATOM 0 HA GLN A 13 4.311 1.427 -3.985 1.00 0.00 H new ATOM 0 HB2 GLN A 13 6.327 0.630 -4.791 1.00 0.00 H new ATOM 0 HB3 GLN A 13 5.324 -0.766 -5.130 1.00 0.00 H new ATOM 0 HG2 GLN A 13 4.900 0.192 -7.462 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.062 1.454 -7.102 1.00 0.00 H new ATOM 0 HE21 GLN A 13 7.564 -0.673 -5.326 1.00 0.00 H new ATOM 0 HE22 GLN A 13 8.482 -1.594 -6.522 1.00 0.00 H new ATOM 216 N GLU A 14 3.158 2.322 -6.819 1.00 0.00 N ATOM 217 CA GLU A 14 2.996 3.494 -7.721 1.00 0.00 C ATOM 218 C GLU A 14 2.167 4.555 -7.004 1.00 0.00 C ATOM 219 O GLU A 14 2.623 5.656 -6.771 1.00 0.00 O ATOM 220 CB GLU A 14 2.293 3.068 -9.002 1.00 0.00 C ATOM 221 CG GLU A 14 1.740 4.301 -9.718 1.00 0.00 C ATOM 222 CD GLU A 14 1.598 4.003 -11.212 1.00 0.00 C ATOM 223 OE1 GLU A 14 2.616 3.944 -11.883 1.00 0.00 O ATOM 224 OE2 GLU A 14 0.475 3.839 -11.660 1.00 0.00 O ATOM 0 H GLU A 14 2.484 1.569 -6.957 1.00 0.00 H new ATOM 0 HA GLU A 14 3.975 3.900 -7.977 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.990 2.539 -9.652 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.484 2.375 -8.772 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.773 4.575 -9.298 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.406 5.151 -9.568 1.00 0.00 H new ATOM 231 N VAL A 15 0.958 4.234 -6.629 1.00 0.00 N ATOM 232 CA VAL A 15 0.138 5.238 -5.906 1.00 0.00 C ATOM 233 C VAL A 15 1.038 5.880 -4.851 1.00 0.00 C ATOM 234 O VAL A 15 0.906 7.041 -4.519 1.00 0.00 O ATOM 235 CB VAL A 15 -1.070 4.548 -5.248 1.00 0.00 C ATOM 236 CG1 VAL A 15 -1.015 3.046 -5.520 1.00 0.00 C ATOM 237 CG2 VAL A 15 -1.064 4.785 -3.735 1.00 0.00 C ATOM 0 H VAL A 15 0.511 3.332 -6.791 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.246 5.998 -6.586 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.982 4.969 -5.671 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.872 2.560 -5.053 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.040 2.870 -6.595 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.094 2.635 -5.106 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.925 4.290 -3.286 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.148 4.379 -3.307 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.115 5.855 -3.534 1.00 0.00 H new ATOM 247 N LEU A 16 1.969 5.121 -4.341 1.00 0.00 N ATOM 248 CA LEU A 16 2.909 5.660 -3.326 1.00 0.00 C ATOM 249 C LEU A 16 3.813 6.692 -4.001 1.00 0.00 C ATOM 250 O LEU A 16 4.206 7.674 -3.403 1.00 0.00 O ATOM 251 CB LEU A 16 3.751 4.508 -2.764 1.00 0.00 C ATOM 252 CG LEU A 16 4.999 5.053 -2.063 1.00 0.00 C ATOM 253 CD1 LEU A 16 4.583 5.957 -0.902 1.00 0.00 C ATOM 254 CD2 LEU A 16 5.825 3.881 -1.528 1.00 0.00 C ATOM 0 H LEU A 16 2.117 4.143 -4.588 1.00 0.00 H new ATOM 0 HA LEU A 16 2.363 6.133 -2.510 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.157 3.924 -2.061 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.043 3.835 -3.570 1.00 0.00 H new ATOM 0 HG LEU A 16 5.594 5.630 -2.771 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.473 6.343 -0.405 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.990 6.789 -1.283 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.989 5.384 -0.190 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.715 4.262 -1.028 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.227 3.308 -0.819 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.122 3.237 -2.356 1.00 0.00 H new ATOM 266 N LYS A 17 4.136 6.483 -5.251 1.00 0.00 N ATOM 267 CA LYS A 17 5.003 7.459 -5.967 1.00 0.00 C ATOM 268 C LYS A 17 4.207 8.740 -6.224 1.00 0.00 C ATOM 269 O LYS A 17 4.662 9.832 -5.945 1.00 0.00 O ATOM 270 CB LYS A 17 5.457 6.861 -7.300 1.00 0.00 C ATOM 271 CG LYS A 17 6.648 7.657 -7.835 1.00 0.00 C ATOM 272 CD LYS A 17 7.949 6.964 -7.426 1.00 0.00 C ATOM 273 CE LYS A 17 8.033 5.592 -8.097 1.00 0.00 C ATOM 274 NZ LYS A 17 7.058 5.528 -9.222 1.00 0.00 N ATOM 0 H LYS A 17 3.837 5.680 -5.804 1.00 0.00 H new ATOM 0 HA LYS A 17 5.879 7.686 -5.360 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.735 5.816 -7.166 1.00 0.00 H new ATOM 0 HB3 LYS A 17 4.638 6.884 -8.019 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.590 7.733 -8.921 1.00 0.00 H new ATOM 0 HG3 LYS A 17 6.626 8.674 -7.442 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.804 7.574 -7.715 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.989 6.853 -6.342 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.043 5.418 -8.467 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.819 4.807 -7.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 7.272 4.705 -9.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 6.094 5.438 -8.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.126 6.396 -9.790 1.00 0.00 H new ATOM 288 N HIS A 18 3.018 8.614 -6.744 1.00 0.00 N ATOM 289 CA HIS A 18 2.186 9.821 -7.009 1.00 0.00 C ATOM 290 C HIS A 18 1.770 10.440 -5.675 1.00 0.00 C ATOM 291 O HIS A 18 0.955 11.342 -5.621 1.00 0.00 O ATOM 292 CB HIS A 18 0.937 9.411 -7.790 1.00 0.00 C ATOM 293 CG HIS A 18 1.129 9.725 -9.248 1.00 0.00 C ATOM 294 ND1 HIS A 18 1.653 10.934 -9.683 1.00 0.00 N ATOM 295 CD2 HIS A 18 0.871 8.996 -10.382 1.00 0.00 C ATOM 296 CE1 HIS A 18 1.693 10.897 -11.027 1.00 0.00 C ATOM 297 NE2 HIS A 18 1.229 9.740 -11.500 1.00 0.00 N ATOM 0 H HIS A 18 2.586 7.726 -6.997 1.00 0.00 H new ATOM 0 HA HIS A 18 2.757 10.545 -7.590 1.00 0.00 H new ATOM 0 HB2 HIS A 18 0.747 8.346 -7.659 1.00 0.00 H new ATOM 0 HB3 HIS A 18 0.065 9.940 -7.405 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.455 8.000 -10.402 1.00 0.00 H new ATOM 0 HE1 HIS A 18 2.056 11.704 -11.646 1.00 0.00 H new ATOM 0 HE2 HIS A 18 1.153 9.460 -12.478 1.00 0.00 H new ATOM 306 N VAL A 19 2.319 9.955 -4.597 1.00 0.00 N ATOM 307 CA VAL A 19 1.958 10.498 -3.259 1.00 0.00 C ATOM 308 C VAL A 19 3.221 11.005 -2.559 1.00 0.00 C ATOM 309 O VAL A 19 3.166 11.880 -1.719 1.00 0.00 O ATOM 310 CB VAL A 19 1.321 9.381 -2.423 1.00 0.00 C ATOM 311 CG1 VAL A 19 1.525 9.671 -0.936 1.00 0.00 C ATOM 312 CG2 VAL A 19 -0.180 9.284 -2.725 1.00 0.00 C ATOM 0 H VAL A 19 3.006 9.201 -4.586 1.00 0.00 H new ATOM 0 HA VAL A 19 1.253 11.321 -3.371 1.00 0.00 H new ATOM 0 HB VAL A 19 1.797 8.434 -2.679 1.00 0.00 H new ATOM 0 HG11 VAL A 19 1.071 8.876 -0.345 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.592 9.722 -0.718 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.057 10.623 -0.683 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.621 8.488 -2.126 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.662 10.231 -2.482 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.325 9.065 -3.783 1.00 0.00 H new ATOM 322 N ASN A 20 4.357 10.463 -2.895 1.00 0.00 N ATOM 323 CA ASN A 20 5.619 10.915 -2.246 1.00 0.00 C ATOM 324 C ASN A 20 5.715 12.442 -2.315 1.00 0.00 C ATOM 325 O ASN A 20 6.139 13.089 -1.377 1.00 0.00 O ATOM 326 CB ASN A 20 6.813 10.295 -2.976 1.00 0.00 C ATOM 327 CG ASN A 20 7.973 10.112 -1.995 1.00 0.00 C ATOM 328 OD1 ASN A 20 8.553 11.076 -1.537 1.00 0.00 O ATOM 329 ND2 ASN A 20 8.336 8.908 -1.651 1.00 0.00 N ATOM 0 H ASN A 20 4.467 9.726 -3.591 1.00 0.00 H new ATOM 0 HA ASN A 20 5.624 10.601 -1.202 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.531 9.334 -3.405 1.00 0.00 H new ATOM 0 HB3 ASN A 20 7.120 10.936 -3.803 1.00 0.00 H new ATOM 0 HD21 ASN A 20 9.107 8.775 -0.997 1.00 0.00 H new ATOM 0 HD22 ASN A 20 7.849 8.099 -2.036 1.00 0.00 H new ATOM 336 N GLN A 21 5.329 13.022 -3.418 1.00 0.00 N ATOM 337 CA GLN A 21 5.402 14.507 -3.545 1.00 0.00 C ATOM 338 C GLN A 21 4.053 15.130 -3.170 1.00 0.00 C ATOM 339 O GLN A 21 3.986 16.093 -2.432 1.00 0.00 O ATOM 340 CB GLN A 21 5.753 14.877 -4.987 1.00 0.00 C ATOM 341 CG GLN A 21 7.267 15.057 -5.114 1.00 0.00 C ATOM 342 CD GLN A 21 7.626 16.532 -4.922 1.00 0.00 C ATOM 343 OE1 GLN A 21 7.186 17.158 -3.979 1.00 0.00 O ATOM 344 NE2 GLN A 21 8.412 17.117 -5.783 1.00 0.00 N ATOM 0 H GLN A 21 4.966 12.533 -4.237 1.00 0.00 H new ATOM 0 HA GLN A 21 6.170 14.888 -2.872 1.00 0.00 H new ATOM 0 HB2 GLN A 21 5.411 14.097 -5.667 1.00 0.00 H new ATOM 0 HB3 GLN A 21 5.242 15.796 -5.272 1.00 0.00 H new ATOM 0 HG2 GLN A 21 7.780 14.448 -4.370 1.00 0.00 H new ATOM 0 HG3 GLN A 21 7.603 14.715 -6.093 1.00 0.00 H new ATOM 0 HE21 GLN A 21 8.782 16.591 -6.575 1.00 0.00 H new ATOM 0 HE22 GLN A 21 8.657 18.100 -5.664 1.00 0.00 H new ATOM 353 N HIS A 22 2.978 14.594 -3.680 1.00 0.00 N ATOM 354 CA HIS A 22 1.634 15.159 -3.361 1.00 0.00 C ATOM 355 C HIS A 22 1.355 15.031 -1.863 1.00 0.00 C ATOM 356 O HIS A 22 0.273 15.334 -1.400 1.00 0.00 O ATOM 357 CB HIS A 22 0.564 14.397 -4.144 1.00 0.00 C ATOM 358 CG HIS A 22 0.810 14.571 -5.618 1.00 0.00 C ATOM 359 ND1 HIS A 22 -0.151 14.269 -6.572 1.00 0.00 N ATOM 360 CD2 HIS A 22 1.907 15.013 -6.316 1.00 0.00 C ATOM 361 CE1 HIS A 22 0.380 14.531 -7.780 1.00 0.00 C ATOM 362 NE2 HIS A 22 1.630 14.986 -7.678 1.00 0.00 N ATOM 0 H HIS A 22 2.971 13.788 -4.305 1.00 0.00 H new ATOM 0 HA HIS A 22 1.614 16.213 -3.639 1.00 0.00 H new ATOM 0 HB2 HIS A 22 0.589 13.339 -3.882 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -0.427 14.767 -3.883 1.00 0.00 H new ATOM 0 HD2 HIS A 22 2.840 15.332 -5.875 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -0.141 14.391 -8.716 1.00 0.00 H new ATOM 0 HE2 HIS A 22 2.252 15.257 -8.440 1.00 0.00 H new ATOM 371 N TRP A 23 2.315 14.594 -1.097 1.00 0.00 N ATOM 372 CA TRP A 23 2.081 14.463 0.366 1.00 0.00 C ATOM 373 C TRP A 23 1.995 15.852 0.990 1.00 0.00 C ATOM 374 O TRP A 23 2.590 16.799 0.513 1.00 0.00 O ATOM 375 CB TRP A 23 3.225 13.693 1.016 1.00 0.00 C ATOM 376 CG TRP A 23 2.792 13.233 2.370 1.00 0.00 C ATOM 377 CD1 TRP A 23 2.632 14.030 3.451 1.00 0.00 C ATOM 378 CD2 TRP A 23 2.459 11.889 2.802 1.00 0.00 C ATOM 379 NE1 TRP A 23 2.219 13.251 4.519 1.00 0.00 N ATOM 380 CE2 TRP A 23 2.102 11.923 4.167 1.00 0.00 C ATOM 381 CE3 TRP A 23 2.433 10.658 2.142 1.00 0.00 C ATOM 382 CZ2 TRP A 23 1.733 10.768 4.855 1.00 0.00 C ATOM 383 CZ3 TRP A 23 2.063 9.489 2.825 1.00 0.00 C ATOM 384 CH2 TRP A 23 1.714 9.544 4.182 1.00 0.00 C ATOM 0 H TRP A 23 3.245 14.324 -1.418 1.00 0.00 H new ATOM 0 HA TRP A 23 1.149 13.922 0.528 1.00 0.00 H new ATOM 0 HB2 TRP A 23 3.503 12.839 0.399 1.00 0.00 H new ATOM 0 HB3 TRP A 23 4.108 14.327 1.098 1.00 0.00 H new ATOM 0 HD1 TRP A 23 2.799 15.097 3.477 1.00 0.00 H new ATOM 0 HE1 TRP A 23 2.025 13.615 5.452 1.00 0.00 H new ATOM 0 HE3 TRP A 23 2.700 10.605 1.097 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 1.464 10.819 5.900 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 2.047 8.543 2.303 1.00 0.00 H new ATOM 0 HH2 TRP A 23 1.431 8.643 4.705 1.00 0.00 H new ATOM 395 N GLN A 24 1.260 15.981 2.056 1.00 0.00 N ATOM 396 CA GLN A 24 1.135 17.314 2.716 1.00 0.00 C ATOM 397 C GLN A 24 0.864 17.125 4.210 1.00 0.00 C ATOM 398 O GLN A 24 1.387 16.225 4.837 1.00 0.00 O ATOM 399 CB GLN A 24 -0.018 18.095 2.076 1.00 0.00 C ATOM 400 CG GLN A 24 0.413 19.544 1.833 1.00 0.00 C ATOM 401 CD GLN A 24 0.744 20.217 3.168 1.00 0.00 C ATOM 402 OE1 GLN A 24 1.375 19.626 4.021 1.00 0.00 O ATOM 403 NE2 GLN A 24 0.348 21.442 3.383 1.00 0.00 N ATOM 0 H GLN A 24 0.740 15.225 2.501 1.00 0.00 H new ATOM 0 HA GLN A 24 2.063 17.871 2.588 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.307 17.629 1.134 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.892 18.070 2.726 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.283 19.569 1.177 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.383 20.090 1.327 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -0.182 21.940 2.668 1.00 0.00 H new ATOM 0 HE22 GLN A 24 0.569 21.902 4.266 1.00 0.00 H new ATOM 412 N GLY A 25 0.051 17.969 4.784 1.00 0.00 N ATOM 413 CA GLY A 25 -0.257 17.843 6.237 1.00 0.00 C ATOM 414 C GLY A 25 1.046 17.756 7.033 1.00 0.00 C ATOM 415 O GLY A 25 1.543 18.743 7.537 1.00 0.00 O ATOM 0 H GLY A 25 -0.414 18.742 4.308 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.842 18.700 6.571 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.863 16.955 6.415 1.00 0.00 H new ATOM 419 N GLY A 26 1.601 16.582 7.148 1.00 0.00 N ATOM 420 CA GLY A 26 2.871 16.427 7.912 1.00 0.00 C ATOM 421 C GLY A 26 3.961 15.896 6.980 1.00 0.00 C ATOM 422 O GLY A 26 3.910 14.769 6.529 1.00 0.00 O ATOM 0 H GLY A 26 1.230 15.722 6.745 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.173 17.385 8.335 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.725 15.742 8.747 1.00 0.00 H new ATOM 426 N GLN A 27 4.945 16.698 6.686 1.00 0.00 N ATOM 427 CA GLN A 27 6.034 16.238 5.780 1.00 0.00 C ATOM 428 C GLN A 27 6.913 15.222 6.510 1.00 0.00 C ATOM 429 O GLN A 27 7.818 14.647 5.938 1.00 0.00 O ATOM 430 CB GLN A 27 6.884 17.437 5.355 1.00 0.00 C ATOM 431 CG GLN A 27 7.701 17.081 4.108 1.00 0.00 C ATOM 432 CD GLN A 27 7.852 18.324 3.232 1.00 0.00 C ATOM 433 OE1 GLN A 27 7.377 18.356 2.114 1.00 0.00 O ATOM 434 NE2 GLN A 27 8.497 19.359 3.696 1.00 0.00 N ATOM 0 H GLN A 27 5.043 17.652 7.034 1.00 0.00 H new ATOM 0 HA GLN A 27 5.598 15.770 4.897 1.00 0.00 H new ATOM 0 HB2 GLN A 27 6.242 18.294 5.148 1.00 0.00 H new ATOM 0 HB3 GLN A 27 7.551 17.727 6.167 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.682 16.704 4.397 1.00 0.00 H new ATOM 0 HG3 GLN A 27 7.206 16.286 3.550 1.00 0.00 H new ATOM 0 HE21 GLN A 27 8.896 19.333 4.634 1.00 0.00 H new ATOM 0 HE22 GLN A 27 8.602 20.194 3.120 1.00 0.00 H new ATOM 443 N LYS A 28 6.653 14.990 7.769 1.00 0.00 N ATOM 444 CA LYS A 28 7.475 14.006 8.526 1.00 0.00 C ATOM 445 C LYS A 28 6.900 12.607 8.308 1.00 0.00 C ATOM 446 O LYS A 28 7.624 11.642 8.157 1.00 0.00 O ATOM 447 CB LYS A 28 7.446 14.347 10.021 1.00 0.00 C ATOM 448 CG LYS A 28 6.052 14.845 10.412 1.00 0.00 C ATOM 449 CD LYS A 28 5.976 15.003 11.932 1.00 0.00 C ATOM 450 CE LYS A 28 4.781 15.884 12.298 1.00 0.00 C ATOM 451 NZ LYS A 28 4.411 15.654 13.723 1.00 0.00 N ATOM 0 H LYS A 28 5.909 15.439 8.303 1.00 0.00 H new ATOM 0 HA LYS A 28 8.506 14.041 8.174 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.706 13.467 10.609 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.191 15.111 10.244 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.845 15.798 9.926 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.293 14.141 10.070 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.878 14.026 12.405 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.897 15.448 12.308 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.028 16.934 12.140 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.935 15.655 11.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.598 16.253 13.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.159 14.654 13.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.218 15.894 14.334 1.00 0.00 H new ATOM 465 N ASN A 29 5.601 12.491 8.282 1.00 0.00 N ATOM 466 CA ASN A 29 4.978 11.158 8.066 1.00 0.00 C ATOM 467 C ASN A 29 5.493 10.569 6.751 1.00 0.00 C ATOM 468 O ASN A 29 5.641 9.370 6.610 1.00 0.00 O ATOM 469 CB ASN A 29 3.456 11.310 8.002 1.00 0.00 C ATOM 470 CG ASN A 29 2.973 12.086 9.227 1.00 0.00 C ATOM 471 OD1 ASN A 29 2.151 12.974 9.114 1.00 0.00 O ATOM 472 ND2 ASN A 29 3.452 11.787 10.404 1.00 0.00 N ATOM 0 H ASN A 29 4.945 13.263 8.401 1.00 0.00 H new ATOM 0 HA ASN A 29 5.238 10.493 8.889 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.169 11.833 7.090 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.982 10.329 7.969 1.00 0.00 H new ATOM 0 HD21 ASN A 29 3.136 12.299 11.228 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.142 11.042 10.500 1.00 0.00 H new ATOM 479 N MET A 30 5.771 11.404 5.788 1.00 0.00 N ATOM 480 CA MET A 30 6.281 10.897 4.483 1.00 0.00 C ATOM 481 C MET A 30 7.393 9.877 4.736 1.00 0.00 C ATOM 482 O MET A 30 7.595 8.962 3.964 1.00 0.00 O ATOM 483 CB MET A 30 6.835 12.065 3.664 1.00 0.00 C ATOM 484 CG MET A 30 7.194 11.578 2.260 1.00 0.00 C ATOM 485 SD MET A 30 5.683 11.110 1.380 1.00 0.00 S ATOM 486 CE MET A 30 6.004 9.331 1.306 1.00 0.00 C ATOM 0 H MET A 30 5.667 12.417 5.849 1.00 0.00 H new ATOM 0 HA MET A 30 5.469 10.422 3.933 1.00 0.00 H new ATOM 0 HB2 MET A 30 6.097 12.865 3.605 1.00 0.00 H new ATOM 0 HB3 MET A 30 7.716 12.480 4.153 1.00 0.00 H new ATOM 0 HG2 MET A 30 7.718 12.363 1.714 1.00 0.00 H new ATOM 0 HG3 MET A 30 7.871 10.726 2.321 1.00 0.00 H new ATOM 0 HE1 MET A 30 5.413 8.888 0.504 1.00 0.00 H new ATOM 0 HE2 MET A 30 7.063 9.160 1.114 1.00 0.00 H new ATOM 0 HE3 MET A 30 5.729 8.872 2.256 1.00 0.00 H new ATOM 496 N ASN A 31 8.114 10.026 5.815 1.00 0.00 N ATOM 497 CA ASN A 31 9.208 9.063 6.120 1.00 0.00 C ATOM 498 C ASN A 31 8.682 7.981 7.064 1.00 0.00 C ATOM 499 O ASN A 31 8.935 6.806 6.883 1.00 0.00 O ATOM 500 CB ASN A 31 10.371 9.801 6.787 1.00 0.00 C ATOM 501 CG ASN A 31 10.951 10.827 5.812 1.00 0.00 C ATOM 502 OD1 ASN A 31 12.072 11.268 5.973 1.00 0.00 O ATOM 503 ND2 ASN A 31 10.231 11.226 4.801 1.00 0.00 N ATOM 0 H ASN A 31 7.991 10.774 6.498 1.00 0.00 H new ATOM 0 HA ASN A 31 9.556 8.603 5.195 1.00 0.00 H new ATOM 0 HB2 ASN A 31 10.027 10.299 7.694 1.00 0.00 H new ATOM 0 HB3 ASN A 31 11.142 9.091 7.086 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.608 11.909 4.144 1.00 0.00 H new ATOM 0 HD22 ASN A 31 9.290 10.855 4.667 1.00 0.00 H new ATOM 510 N LYS A 32 7.946 8.368 8.071 1.00 0.00 N ATOM 511 CA LYS A 32 7.402 7.362 9.024 1.00 0.00 C ATOM 512 C LYS A 32 6.402 6.464 8.294 1.00 0.00 C ATOM 513 O LYS A 32 6.120 5.360 8.715 1.00 0.00 O ATOM 514 CB LYS A 32 6.699 8.079 10.178 1.00 0.00 C ATOM 515 CG LYS A 32 7.587 9.214 10.692 1.00 0.00 C ATOM 516 CD LYS A 32 8.869 8.630 11.291 1.00 0.00 C ATOM 517 CE LYS A 32 9.666 9.741 11.977 1.00 0.00 C ATOM 518 NZ LYS A 32 9.989 9.331 13.374 1.00 0.00 N ATOM 0 H LYS A 32 7.699 9.337 8.274 1.00 0.00 H new ATOM 0 HA LYS A 32 8.217 6.755 9.419 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.741 8.476 9.843 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.489 7.375 10.983 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.832 9.896 9.877 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.053 9.795 11.444 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.624 7.848 12.009 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.470 8.167 10.509 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.584 9.940 11.424 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.090 10.666 11.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.531 10.086 13.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.107 9.162 13.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.555 8.458 13.358 1.00 0.00 H new ATOM 532 N VAL A 33 5.865 6.927 7.197 1.00 0.00 N ATOM 533 CA VAL A 33 4.887 6.098 6.439 1.00 0.00 C ATOM 534 C VAL A 33 5.637 5.278 5.387 1.00 0.00 C ATOM 535 O VAL A 33 5.372 4.109 5.192 1.00 0.00 O ATOM 536 CB VAL A 33 3.865 7.007 5.748 1.00 0.00 C ATOM 537 CG1 VAL A 33 3.319 8.025 6.752 1.00 0.00 C ATOM 538 CG2 VAL A 33 4.541 7.747 4.592 1.00 0.00 C ATOM 0 H VAL A 33 6.062 7.843 6.794 1.00 0.00 H new ATOM 0 HA VAL A 33 4.365 5.430 7.124 1.00 0.00 H new ATOM 0 HB VAL A 33 3.044 6.401 5.365 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.593 8.670 6.258 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.836 7.500 7.576 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.139 8.631 7.138 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.815 8.394 4.100 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.362 8.351 4.977 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.928 7.024 3.874 1.00 0.00 H new ATOM 548 N ASP A 34 6.576 5.883 4.710 1.00 0.00 N ATOM 549 CA ASP A 34 7.348 5.139 3.676 1.00 0.00 C ATOM 550 C ASP A 34 7.853 3.822 4.268 1.00 0.00 C ATOM 551 O ASP A 34 7.837 2.792 3.624 1.00 0.00 O ATOM 552 CB ASP A 34 8.541 5.988 3.226 1.00 0.00 C ATOM 553 CG ASP A 34 9.485 5.135 2.377 1.00 0.00 C ATOM 554 OD1 ASP A 34 8.992 4.377 1.558 1.00 0.00 O ATOM 555 OD2 ASP A 34 10.686 5.256 2.559 1.00 0.00 O ATOM 0 H ASP A 34 6.841 6.861 4.829 1.00 0.00 H new ATOM 0 HA ASP A 34 6.706 4.930 2.820 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.193 6.846 2.651 1.00 0.00 H new ATOM 0 HB3 ASP A 34 9.070 6.380 4.095 1.00 0.00 H new ATOM 560 N HIS A 35 8.302 3.847 5.494 1.00 0.00 N ATOM 561 CA HIS A 35 8.805 2.598 6.131 1.00 0.00 C ATOM 562 C HIS A 35 7.659 1.591 6.251 1.00 0.00 C ATOM 563 O HIS A 35 7.831 0.409 6.027 1.00 0.00 O ATOM 564 CB HIS A 35 9.344 2.920 7.527 1.00 0.00 C ATOM 565 CG HIS A 35 10.739 3.470 7.418 1.00 0.00 C ATOM 566 ND1 HIS A 35 11.170 4.185 6.308 1.00 0.00 N ATOM 567 CD2 HIS A 35 11.812 3.421 8.272 1.00 0.00 C ATOM 568 CE1 HIS A 35 12.453 4.532 6.523 1.00 0.00 C ATOM 569 NE2 HIS A 35 12.888 4.091 7.704 1.00 0.00 N ATOM 0 H HIS A 35 8.342 4.680 6.082 1.00 0.00 H new ATOM 0 HA HIS A 35 9.602 2.174 5.520 1.00 0.00 H new ATOM 0 HB2 HIS A 35 8.695 3.644 8.020 1.00 0.00 H new ATOM 0 HB3 HIS A 35 9.344 2.021 8.143 1.00 0.00 H new ATOM 0 HD2 HIS A 35 11.819 2.936 9.237 1.00 0.00 H new ATOM 0 HE1 HIS A 35 13.055 5.097 5.826 1.00 0.00 H new ATOM 0 HE2 HIS A 35 13.817 4.219 8.106 1.00 0.00 H new ATOM 578 N HIS A 36 6.491 2.051 6.608 1.00 0.00 N ATOM 579 CA HIS A 36 5.334 1.122 6.749 1.00 0.00 C ATOM 580 C HIS A 36 5.076 0.417 5.413 1.00 0.00 C ATOM 581 O HIS A 36 5.055 -0.796 5.336 1.00 0.00 O ATOM 582 CB HIS A 36 4.090 1.915 7.160 1.00 0.00 C ATOM 583 CG HIS A 36 4.099 2.129 8.648 1.00 0.00 C ATOM 584 ND1 HIS A 36 5.258 2.015 9.405 1.00 0.00 N ATOM 585 CD2 HIS A 36 3.102 2.452 9.537 1.00 0.00 C ATOM 586 CE1 HIS A 36 4.932 2.265 10.687 1.00 0.00 C ATOM 587 NE2 HIS A 36 3.633 2.537 10.819 1.00 0.00 N ATOM 0 H HIS A 36 6.288 3.030 6.808 1.00 0.00 H new ATOM 0 HA HIS A 36 5.558 0.377 7.513 1.00 0.00 H new ATOM 0 HB2 HIS A 36 4.071 2.875 6.644 1.00 0.00 H new ATOM 0 HB3 HIS A 36 3.189 1.377 6.865 1.00 0.00 H new ATOM 0 HD2 HIS A 36 2.066 2.615 9.279 1.00 0.00 H new ATOM 0 HE1 HIS A 36 5.635 2.247 11.507 1.00 0.00 H new ATOM 0 HE2 HIS A 36 3.134 2.761 11.680 1.00 0.00 H new ATOM 596 N LEU A 37 4.878 1.166 4.361 1.00 0.00 N ATOM 597 CA LEU A 37 4.621 0.534 3.035 1.00 0.00 C ATOM 598 C LEU A 37 5.866 -0.231 2.581 1.00 0.00 C ATOM 599 O LEU A 37 5.817 -1.421 2.341 1.00 0.00 O ATOM 600 CB LEU A 37 4.288 1.618 2.006 1.00 0.00 C ATOM 601 CG LEU A 37 2.770 1.724 1.832 1.00 0.00 C ATOM 602 CD1 LEU A 37 2.375 3.191 1.685 1.00 0.00 C ATOM 603 CD2 LEU A 37 2.346 0.962 0.575 1.00 0.00 C ATOM 0 H LEU A 37 4.883 2.186 4.363 1.00 0.00 H new ATOM 0 HA LEU A 37 3.782 -0.156 3.122 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.693 2.576 2.331 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.756 1.381 1.051 1.00 0.00 H new ATOM 0 HG LEU A 37 2.276 1.297 2.705 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.295 3.266 1.561 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.677 3.740 2.577 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.871 3.616 0.812 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.266 1.037 0.451 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.842 1.391 -0.295 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.628 -0.086 0.673 1.00 0.00 H new ATOM 615 N GLN A 38 6.979 0.441 2.459 1.00 0.00 N ATOM 616 CA GLN A 38 8.222 -0.254 2.019 1.00 0.00 C ATOM 617 C GLN A 38 8.241 -1.670 2.596 1.00 0.00 C ATOM 618 O GLN A 38 8.766 -2.588 1.997 1.00 0.00 O ATOM 619 CB GLN A 38 9.445 0.516 2.523 1.00 0.00 C ATOM 620 CG GLN A 38 9.860 1.560 1.483 1.00 0.00 C ATOM 621 CD GLN A 38 10.997 2.417 2.044 1.00 0.00 C ATOM 622 OE1 GLN A 38 10.837 3.071 3.055 1.00 0.00 O ATOM 623 NE2 GLN A 38 12.146 2.440 1.426 1.00 0.00 N ATOM 0 H GLN A 38 7.081 1.439 2.645 1.00 0.00 H new ATOM 0 HA GLN A 38 8.246 -0.301 0.930 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.215 1.003 3.470 1.00 0.00 H new ATOM 0 HB3 GLN A 38 10.269 -0.173 2.710 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.181 1.067 0.565 1.00 0.00 H new ATOM 0 HG3 GLN A 38 9.009 2.190 1.225 1.00 0.00 H new ATOM 0 HE21 GLN A 38 12.280 1.891 0.577 1.00 0.00 H new ATOM 0 HE22 GLN A 38 12.911 3.007 1.792 1.00 0.00 H new ATOM 632 N ASN A 39 7.669 -1.855 3.753 1.00 0.00 N ATOM 633 CA ASN A 39 7.652 -3.212 4.366 1.00 0.00 C ATOM 634 C ASN A 39 6.518 -4.030 3.748 1.00 0.00 C ATOM 635 O ASN A 39 6.645 -5.218 3.526 1.00 0.00 O ATOM 636 CB ASN A 39 7.429 -3.093 5.875 1.00 0.00 C ATOM 637 CG ASN A 39 7.225 -4.487 6.470 1.00 0.00 C ATOM 638 OD1 ASN A 39 6.919 -5.422 5.758 1.00 0.00 O ATOM 639 ND2 ASN A 39 7.384 -4.668 7.751 1.00 0.00 N ATOM 0 H ASN A 39 7.213 -1.125 4.300 1.00 0.00 H new ATOM 0 HA ASN A 39 8.606 -3.706 4.181 1.00 0.00 H new ATOM 0 HB2 ASN A 39 8.285 -2.608 6.343 1.00 0.00 H new ATOM 0 HB3 ASN A 39 6.559 -2.468 6.077 1.00 0.00 H new ATOM 0 HD21 ASN A 39 7.251 -5.595 8.155 1.00 0.00 H new ATOM 0 HD22 ASN A 39 7.641 -3.883 8.349 1.00 0.00 H new ATOM 646 N VAL A 40 5.407 -3.405 3.465 1.00 0.00 N ATOM 647 CA VAL A 40 4.272 -4.153 2.857 1.00 0.00 C ATOM 648 C VAL A 40 4.617 -4.508 1.411 1.00 0.00 C ATOM 649 O VAL A 40 4.775 -5.662 1.069 1.00 0.00 O ATOM 650 CB VAL A 40 3.013 -3.288 2.881 1.00 0.00 C ATOM 651 CG1 VAL A 40 1.818 -4.127 2.423 1.00 0.00 C ATOM 652 CG2 VAL A 40 2.767 -2.790 4.307 1.00 0.00 C ATOM 0 H VAL A 40 5.238 -2.413 3.628 1.00 0.00 H new ATOM 0 HA VAL A 40 4.093 -5.065 3.426 1.00 0.00 H new ATOM 0 HB VAL A 40 3.140 -2.435 2.214 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.916 -3.515 2.438 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.994 -4.489 1.410 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.691 -4.976 3.094 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.869 -2.172 4.327 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.636 -3.643 4.973 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.621 -2.199 4.639 1.00 0.00 H new ATOM 662 N ILE A 41 4.737 -3.525 0.561 1.00 0.00 N ATOM 663 CA ILE A 41 5.077 -3.814 -0.861 1.00 0.00 C ATOM 664 C ILE A 41 6.047 -4.994 -0.915 1.00 0.00 C ATOM 665 O ILE A 41 5.946 -5.856 -1.764 1.00 0.00 O ATOM 666 CB ILE A 41 5.735 -2.587 -1.494 1.00 0.00 C ATOM 667 CG1 ILE A 41 4.924 -1.336 -1.139 1.00 0.00 C ATOM 668 CG2 ILE A 41 5.778 -2.761 -3.014 1.00 0.00 C ATOM 669 CD1 ILE A 41 5.108 -0.278 -2.229 1.00 0.00 C ATOM 0 H ILE A 41 4.615 -2.538 0.788 1.00 0.00 H new ATOM 0 HA ILE A 41 4.167 -4.058 -1.410 1.00 0.00 H new ATOM 0 HB ILE A 41 6.751 -2.478 -1.115 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.869 -1.591 -1.040 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.249 -0.941 -0.176 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.247 -1.887 -3.467 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.355 -3.652 -3.262 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.763 -2.868 -3.397 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.530 0.611 -1.975 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.163 -0.015 -2.307 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.762 -0.675 -3.183 1.00 0.00 H new ATOM 681 N GLU A 42 6.985 -5.041 -0.008 1.00 0.00 N ATOM 682 CA GLU A 42 7.957 -6.167 -0.002 1.00 0.00 C ATOM 683 C GLU A 42 7.209 -7.470 0.279 1.00 0.00 C ATOM 684 O GLU A 42 7.527 -8.510 -0.265 1.00 0.00 O ATOM 685 CB GLU A 42 9.005 -5.935 1.086 1.00 0.00 C ATOM 686 CG GLU A 42 10.378 -6.371 0.573 1.00 0.00 C ATOM 687 CD GLU A 42 11.460 -5.936 1.564 1.00 0.00 C ATOM 688 OE1 GLU A 42 11.107 -5.384 2.593 1.00 0.00 O ATOM 689 OE2 GLU A 42 12.624 -6.162 1.277 1.00 0.00 O ATOM 0 H GLU A 42 7.119 -4.348 0.728 1.00 0.00 H new ATOM 0 HA GLU A 42 8.453 -6.228 -0.970 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.027 -4.882 1.366 1.00 0.00 H new ATOM 0 HB3 GLU A 42 8.745 -6.498 1.983 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.402 -7.453 0.445 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.568 -5.930 -0.405 1.00 0.00 H new ATOM 696 N ASP A 43 6.214 -7.421 1.122 1.00 0.00 N ATOM 697 CA ASP A 43 5.441 -8.655 1.433 1.00 0.00 C ATOM 698 C ASP A 43 4.817 -9.191 0.146 1.00 0.00 C ATOM 699 O ASP A 43 4.847 -10.376 -0.127 1.00 0.00 O ATOM 700 CB ASP A 43 4.337 -8.321 2.437 1.00 0.00 C ATOM 701 CG ASP A 43 3.539 -9.585 2.757 1.00 0.00 C ATOM 702 OD1 ASP A 43 3.023 -10.187 1.829 1.00 0.00 O ATOM 703 OD2 ASP A 43 3.457 -9.931 3.924 1.00 0.00 O ATOM 0 H ASP A 43 5.904 -6.580 1.608 1.00 0.00 H new ATOM 0 HA ASP A 43 6.103 -9.409 1.860 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.772 -7.912 3.349 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.678 -7.556 2.027 1.00 0.00 H new ATOM 708 N ILE A 44 4.255 -8.325 -0.651 1.00 0.00 N ATOM 709 CA ILE A 44 3.631 -8.777 -1.927 1.00 0.00 C ATOM 710 C ILE A 44 4.695 -9.437 -2.804 1.00 0.00 C ATOM 711 O ILE A 44 4.513 -10.529 -3.302 1.00 0.00 O ATOM 712 CB ILE A 44 3.051 -7.573 -2.667 1.00 0.00 C ATOM 713 CG1 ILE A 44 1.798 -7.076 -1.943 1.00 0.00 C ATOM 714 CG2 ILE A 44 2.678 -7.983 -4.091 1.00 0.00 C ATOM 715 CD1 ILE A 44 1.775 -5.545 -1.946 1.00 0.00 C ATOM 0 H ILE A 44 4.201 -7.322 -0.474 1.00 0.00 H new ATOM 0 HA ILE A 44 2.836 -9.490 -1.708 1.00 0.00 H new ATOM 0 HB ILE A 44 3.795 -6.777 -2.695 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.905 -7.464 -2.433 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.786 -7.448 -0.918 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.264 -7.125 -4.620 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.567 -8.336 -4.613 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.936 -8.781 -4.057 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.882 -5.194 -1.430 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.661 -5.167 -1.436 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.766 -5.183 -2.974 1.00 0.00 H new ATOM 727 N HIS A 45 5.805 -8.779 -3.000 1.00 0.00 N ATOM 728 CA HIS A 45 6.878 -9.372 -3.845 1.00 0.00 C ATOM 729 C HIS A 45 7.173 -10.783 -3.340 1.00 0.00 C ATOM 730 O HIS A 45 7.583 -11.651 -4.084 1.00 0.00 O ATOM 731 CB HIS A 45 8.144 -8.513 -3.747 1.00 0.00 C ATOM 732 CG HIS A 45 8.477 -7.951 -5.102 1.00 0.00 C ATOM 733 ND1 HIS A 45 8.155 -8.614 -6.277 1.00 0.00 N ATOM 734 CD2 HIS A 45 9.101 -6.789 -5.483 1.00 0.00 C ATOM 735 CE1 HIS A 45 8.582 -7.852 -7.302 1.00 0.00 C ATOM 736 NE2 HIS A 45 9.163 -6.733 -6.872 1.00 0.00 N ATOM 0 H HIS A 45 6.014 -7.859 -2.612 1.00 0.00 H new ATOM 0 HA HIS A 45 6.555 -9.410 -4.885 1.00 0.00 H new ATOM 0 HB2 HIS A 45 7.992 -7.703 -3.033 1.00 0.00 H new ATOM 0 HB3 HIS A 45 8.975 -9.113 -3.376 1.00 0.00 H new ATOM 0 HD2 HIS A 45 9.484 -6.036 -4.810 1.00 0.00 H new ATOM 0 HE1 HIS A 45 8.468 -8.115 -8.343 1.00 0.00 H new ATOM 0 HE2 HIS A 45 9.568 -5.990 -7.442 1.00 0.00 H new ATOM 745 N ASP A 46 6.958 -11.016 -2.073 1.00 0.00 N ATOM 746 CA ASP A 46 7.211 -12.369 -1.509 1.00 0.00 C ATOM 747 C ASP A 46 5.976 -13.243 -1.722 1.00 0.00 C ATOM 748 O ASP A 46 5.995 -14.431 -1.473 1.00 0.00 O ATOM 749 CB ASP A 46 7.497 -12.252 -0.011 1.00 0.00 C ATOM 750 CG ASP A 46 8.992 -12.461 0.241 1.00 0.00 C ATOM 751 OD1 ASP A 46 9.727 -11.491 0.161 1.00 0.00 O ATOM 752 OD2 ASP A 46 9.374 -13.588 0.511 1.00 0.00 O ATOM 0 H ASP A 46 6.617 -10.325 -1.405 1.00 0.00 H new ATOM 0 HA ASP A 46 8.069 -12.818 -2.009 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.190 -11.272 0.353 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.917 -12.993 0.540 1.00 0.00 H new ATOM 757 N PHE A 47 4.898 -12.665 -2.181 1.00 0.00 N ATOM 758 CA PHE A 47 3.669 -13.472 -2.408 1.00 0.00 C ATOM 759 C PHE A 47 3.790 -14.200 -3.746 1.00 0.00 C ATOM 760 O PHE A 47 3.113 -15.179 -3.996 1.00 0.00 O ATOM 761 CB PHE A 47 2.445 -12.554 -2.426 1.00 0.00 C ATOM 762 CG PHE A 47 1.197 -13.399 -2.334 1.00 0.00 C ATOM 763 CD1 PHE A 47 0.746 -13.844 -1.086 1.00 0.00 C ATOM 764 CD2 PHE A 47 0.502 -13.755 -3.497 1.00 0.00 C ATOM 765 CE1 PHE A 47 -0.397 -14.645 -1.000 1.00 0.00 C ATOM 766 CE2 PHE A 47 -0.645 -14.552 -3.410 1.00 0.00 C ATOM 767 CZ PHE A 47 -1.092 -14.999 -2.162 1.00 0.00 C ATOM 0 H PHE A 47 4.817 -11.674 -2.407 1.00 0.00 H new ATOM 0 HA PHE A 47 3.554 -14.200 -1.605 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.488 -11.853 -1.592 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.432 -11.961 -3.341 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.281 -13.569 -0.189 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.851 -13.414 -4.461 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -0.743 -14.990 -0.037 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.185 -14.822 -4.306 1.00 0.00 H new ATOM 0 HZ PHE A 47 -1.974 -15.618 -2.095 1.00 0.00 H new ATOM 777 N MET A 48 4.656 -13.736 -4.606 1.00 0.00 N ATOM 778 CA MET A 48 4.831 -14.405 -5.923 1.00 0.00 C ATOM 779 C MET A 48 5.736 -15.623 -5.743 1.00 0.00 C ATOM 780 O MET A 48 5.423 -16.715 -6.174 1.00 0.00 O ATOM 781 CB MET A 48 5.477 -13.431 -6.913 1.00 0.00 C ATOM 782 CG MET A 48 5.163 -11.994 -6.494 1.00 0.00 C ATOM 783 SD MET A 48 5.444 -10.886 -7.898 1.00 0.00 S ATOM 784 CE MET A 48 7.200 -11.253 -8.132 1.00 0.00 C ATOM 0 H MET A 48 5.250 -12.921 -4.451 1.00 0.00 H new ATOM 0 HA MET A 48 3.861 -14.717 -6.309 1.00 0.00 H new ATOM 0 HB2 MET A 48 6.556 -13.586 -6.940 1.00 0.00 H new ATOM 0 HB3 MET A 48 5.103 -13.618 -7.920 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.129 -11.919 -6.158 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.793 -11.702 -5.654 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.664 -10.455 -8.711 1.00 0.00 H new ATOM 0 HE2 MET A 48 7.689 -11.328 -7.161 1.00 0.00 H new ATOM 0 HE3 MET A 48 7.306 -12.198 -8.665 1.00 0.00 H new ATOM 794 N GLN A 49 6.857 -15.443 -5.099 1.00 0.00 N ATOM 795 CA GLN A 49 7.784 -16.586 -4.879 1.00 0.00 C ATOM 796 C GLN A 49 7.300 -17.410 -3.687 1.00 0.00 C ATOM 797 O GLN A 49 7.377 -18.623 -3.684 1.00 0.00 O ATOM 798 CB GLN A 49 9.192 -16.057 -4.598 1.00 0.00 C ATOM 799 CG GLN A 49 9.141 -15.046 -3.450 1.00 0.00 C ATOM 800 CD GLN A 49 9.093 -15.789 -2.113 1.00 0.00 C ATOM 801 OE1 GLN A 49 9.713 -16.821 -1.955 1.00 0.00 O ATOM 802 NE2 GLN A 49 8.375 -15.303 -1.137 1.00 0.00 N ATOM 0 H GLN A 49 7.170 -14.551 -4.716 1.00 0.00 H new ATOM 0 HA GLN A 49 7.805 -17.213 -5.770 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.857 -16.882 -4.340 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.600 -15.586 -5.493 1.00 0.00 H new ATOM 0 HG2 GLN A 49 10.015 -14.396 -3.485 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.264 -14.407 -3.554 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.854 -14.436 -1.270 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.335 -15.790 -0.242 1.00 0.00 H new ATOM 811 N GLY A 50 6.794 -16.761 -2.674 1.00 0.00 N ATOM 812 CA GLY A 50 6.300 -17.511 -1.486 1.00 0.00 C ATOM 813 C GLY A 50 5.387 -18.646 -1.949 1.00 0.00 C ATOM 814 O GLY A 50 4.939 -19.456 -1.163 1.00 0.00 O ATOM 0 H GLY A 50 6.702 -15.747 -2.618 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.140 -17.913 -0.920 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.757 -16.841 -0.819 1.00 0.00 H new ATOM 818 N GLY A 51 5.112 -18.711 -3.224 1.00 0.00 N ATOM 819 CA GLY A 51 4.229 -19.796 -3.741 1.00 0.00 C ATOM 820 C GLY A 51 2.816 -19.623 -3.180 1.00 0.00 C ATOM 821 O GLY A 51 1.841 -19.989 -3.806 1.00 0.00 O ATOM 0 H GLY A 51 5.460 -18.061 -3.929 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.204 -19.769 -4.830 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.627 -20.769 -3.455 1.00 0.00 H new ATOM 825 N GLY A 52 2.696 -19.073 -2.002 1.00 0.00 N ATOM 826 CA GLY A 52 1.347 -18.883 -1.401 1.00 0.00 C ATOM 827 C GLY A 52 1.497 -18.714 0.109 1.00 0.00 C ATOM 828 O GLY A 52 0.969 -19.484 0.888 1.00 0.00 O ATOM 0 H GLY A 52 3.475 -18.747 -1.430 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.862 -18.007 -1.832 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.711 -19.740 -1.623 1.00 0.00 H new ATOM 832 N SER A 53 2.222 -17.715 0.527 1.00 0.00 N ATOM 833 CA SER A 53 2.422 -17.494 1.982 1.00 0.00 C ATOM 834 C SER A 53 1.201 -16.780 2.565 1.00 0.00 C ATOM 835 O SER A 53 1.324 -15.802 3.275 1.00 0.00 O ATOM 836 CB SER A 53 3.667 -16.635 2.188 1.00 0.00 C ATOM 837 OG SER A 53 4.587 -16.885 1.134 1.00 0.00 O ATOM 0 H SER A 53 2.686 -17.040 -0.081 1.00 0.00 H new ATOM 0 HA SER A 53 2.549 -18.452 2.486 1.00 0.00 H new ATOM 0 HB2 SER A 53 3.396 -15.579 2.207 1.00 0.00 H new ATOM 0 HB3 SER A 53 4.126 -16.864 3.150 1.00 0.00 H new ATOM 0 HG SER A 53 5.388 -16.334 1.261 1.00 0.00 H new ATOM 843 N GLY A 54 0.023 -17.262 2.275 1.00 0.00 N ATOM 844 CA GLY A 54 -1.198 -16.609 2.820 1.00 0.00 C ATOM 845 C GLY A 54 -0.984 -16.319 4.305 1.00 0.00 C ATOM 846 O GLY A 54 -1.760 -15.627 4.932 1.00 0.00 O ATOM 0 H GLY A 54 -0.145 -18.077 1.686 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.403 -15.684 2.281 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.064 -17.256 2.683 1.00 0.00 H new ATOM 850 N GLY A 55 0.069 -16.844 4.870 1.00 0.00 N ATOM 851 CA GLY A 55 0.339 -16.603 6.314 1.00 0.00 C ATOM 852 C GLY A 55 1.223 -15.364 6.465 1.00 0.00 C ATOM 853 O GLY A 55 1.160 -14.667 7.458 1.00 0.00 O ATOM 0 H GLY A 55 0.754 -17.430 4.393 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.598 -16.462 6.852 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.832 -17.471 6.753 1.00 0.00 H new ATOM 857 N LYS A 56 2.044 -15.075 5.489 1.00 0.00 N ATOM 858 CA LYS A 56 2.920 -13.874 5.594 1.00 0.00 C ATOM 859 C LYS A 56 2.184 -12.662 5.030 1.00 0.00 C ATOM 860 O LYS A 56 2.445 -11.536 5.406 1.00 0.00 O ATOM 861 CB LYS A 56 4.212 -14.099 4.807 1.00 0.00 C ATOM 862 CG LYS A 56 5.356 -14.403 5.775 1.00 0.00 C ATOM 863 CD LYS A 56 5.919 -13.093 6.329 1.00 0.00 C ATOM 864 CE LYS A 56 7.024 -13.397 7.342 1.00 0.00 C ATOM 865 NZ LYS A 56 6.695 -14.654 8.073 1.00 0.00 N ATOM 0 H LYS A 56 2.145 -15.616 4.630 1.00 0.00 H new ATOM 0 HA LYS A 56 3.167 -13.700 6.641 1.00 0.00 H new ATOM 0 HB2 LYS A 56 4.085 -14.925 4.108 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.448 -13.214 4.215 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.999 -15.031 6.591 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.141 -14.961 5.264 1.00 0.00 H new ATOM 0 HD2 LYS A 56 6.314 -12.483 5.517 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.125 -12.516 6.804 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.982 -13.500 6.832 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.125 -12.570 8.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.328 -14.755 8.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.709 -14.617 8.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.819 -15.468 7.437 1.00 0.00 H new ATOM 879 N LEU A 57 1.262 -12.879 4.136 1.00 0.00 N ATOM 880 CA LEU A 57 0.512 -11.732 3.562 1.00 0.00 C ATOM 881 C LEU A 57 -0.440 -11.177 4.616 1.00 0.00 C ATOM 882 O LEU A 57 -0.334 -10.040 5.025 1.00 0.00 O ATOM 883 CB LEU A 57 -0.297 -12.192 2.351 1.00 0.00 C ATOM 884 CG LEU A 57 -0.597 -10.982 1.467 1.00 0.00 C ATOM 885 CD1 LEU A 57 -1.285 -11.448 0.187 1.00 0.00 C ATOM 886 CD2 LEU A 57 -1.520 -10.020 2.218 1.00 0.00 C ATOM 0 H LEU A 57 0.997 -13.797 3.780 1.00 0.00 H new ATOM 0 HA LEU A 57 1.218 -10.961 3.253 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.260 -12.941 1.788 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.226 -12.662 2.675 1.00 0.00 H new ATOM 0 HG LEU A 57 0.334 -10.474 1.217 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.500 -10.586 -0.445 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.631 -12.136 -0.348 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.217 -11.955 0.438 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.735 -9.156 1.589 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.451 -10.529 2.466 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.032 -9.689 3.135 1.00 0.00 H new ATOM 898 N GLN A 58 -1.367 -11.970 5.070 1.00 0.00 N ATOM 899 CA GLN A 58 -2.316 -11.474 6.101 1.00 0.00 C ATOM 900 C GLN A 58 -1.522 -10.810 7.227 1.00 0.00 C ATOM 901 O GLN A 58 -2.079 -10.222 8.132 1.00 0.00 O ATOM 902 CB GLN A 58 -3.135 -12.643 6.652 1.00 0.00 C ATOM 903 CG GLN A 58 -3.911 -13.305 5.510 1.00 0.00 C ATOM 904 CD GLN A 58 -4.663 -12.238 4.710 1.00 0.00 C ATOM 905 OE1 GLN A 58 -5.680 -11.738 5.149 1.00 0.00 O ATOM 906 NE2 GLN A 58 -4.202 -11.864 3.546 1.00 0.00 N ATOM 0 H GLN A 58 -1.508 -12.936 4.773 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.998 -10.747 5.660 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.477 -13.370 7.128 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -3.825 -12.289 7.418 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.226 -13.846 4.858 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.614 -14.035 5.911 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -3.349 -12.283 3.177 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -4.696 -11.153 3.007 1.00 0.00 H new ATOM 915 N GLU A 59 -0.219 -10.891 7.166 1.00 0.00 N ATOM 916 CA GLU A 59 0.618 -10.255 8.220 1.00 0.00 C ATOM 917 C GLU A 59 0.727 -8.757 7.929 1.00 0.00 C ATOM 918 O GLU A 59 0.479 -7.930 8.784 1.00 0.00 O ATOM 919 CB GLU A 59 2.014 -10.881 8.213 1.00 0.00 C ATOM 920 CG GLU A 59 2.616 -10.803 9.618 1.00 0.00 C ATOM 921 CD GLU A 59 2.122 -11.986 10.452 1.00 0.00 C ATOM 922 OE1 GLU A 59 1.489 -12.863 9.887 1.00 0.00 O ATOM 923 OE2 GLU A 59 2.386 -11.995 11.644 1.00 0.00 O ATOM 0 H GLU A 59 0.300 -11.371 6.431 1.00 0.00 H new ATOM 0 HA GLU A 59 0.162 -10.410 9.198 1.00 0.00 H new ATOM 0 HB2 GLU A 59 1.957 -11.920 7.888 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.655 -10.359 7.502 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.704 -10.815 9.560 1.00 0.00 H new ATOM 0 HG3 GLU A 59 2.333 -9.865 10.095 1.00 0.00 H new ATOM 930 N MET A 60 1.083 -8.399 6.723 1.00 0.00 N ATOM 931 CA MET A 60 1.188 -6.954 6.384 1.00 0.00 C ATOM 932 C MET A 60 -0.219 -6.368 6.311 1.00 0.00 C ATOM 933 O MET A 60 -0.420 -5.183 6.485 1.00 0.00 O ATOM 934 CB MET A 60 1.889 -6.782 5.033 1.00 0.00 C ATOM 935 CG MET A 60 0.982 -7.290 3.909 1.00 0.00 C ATOM 936 SD MET A 60 -0.300 -6.061 3.560 1.00 0.00 S ATOM 937 CE MET A 60 -0.865 -6.762 1.990 1.00 0.00 C ATOM 0 H MET A 60 1.304 -9.043 5.963 1.00 0.00 H new ATOM 0 HA MET A 60 1.770 -6.438 7.147 1.00 0.00 H new ATOM 0 HB2 MET A 60 2.132 -5.732 4.870 1.00 0.00 H new ATOM 0 HB3 MET A 60 2.831 -7.331 5.029 1.00 0.00 H new ATOM 0 HG2 MET A 60 1.570 -7.481 3.012 1.00 0.00 H new ATOM 0 HG3 MET A 60 0.524 -8.236 4.197 1.00 0.00 H new ATOM 0 HE1 MET A 60 -0.796 -6.006 1.208 1.00 0.00 H new ATOM 0 HE2 MET A 60 -0.239 -7.615 1.726 1.00 0.00 H new ATOM 0 HE3 MET A 60 -1.900 -7.088 2.089 1.00 0.00 H new ATOM 947 N MET A 61 -1.199 -7.196 6.067 1.00 0.00 N ATOM 948 CA MET A 61 -2.594 -6.687 6.000 1.00 0.00 C ATOM 949 C MET A 61 -2.765 -5.626 7.082 1.00 0.00 C ATOM 950 O MET A 61 -3.374 -4.595 6.870 1.00 0.00 O ATOM 951 CB MET A 61 -3.570 -7.841 6.244 1.00 0.00 C ATOM 952 CG MET A 61 -5.005 -7.313 6.237 1.00 0.00 C ATOM 953 SD MET A 61 -5.741 -7.541 7.874 1.00 0.00 S ATOM 954 CE MET A 61 -7.176 -6.467 7.629 1.00 0.00 C ATOM 0 H MET A 61 -1.092 -8.198 5.912 1.00 0.00 H new ATOM 0 HA MET A 61 -2.797 -6.257 5.019 1.00 0.00 H new ATOM 0 HB2 MET A 61 -3.449 -8.602 5.473 1.00 0.00 H new ATOM 0 HB3 MET A 61 -3.352 -8.318 7.200 1.00 0.00 H new ATOM 0 HG2 MET A 61 -5.014 -6.257 5.967 1.00 0.00 H new ATOM 0 HG3 MET A 61 -5.594 -7.839 5.486 1.00 0.00 H new ATOM 0 HE1 MET A 61 -7.167 -5.672 8.374 1.00 0.00 H new ATOM 0 HE2 MET A 61 -7.137 -6.030 6.631 1.00 0.00 H new ATOM 0 HE3 MET A 61 -8.090 -7.052 7.733 1.00 0.00 H new ATOM 964 N LYS A 62 -2.211 -5.863 8.238 1.00 0.00 N ATOM 965 CA LYS A 62 -2.317 -4.862 9.333 1.00 0.00 C ATOM 966 C LYS A 62 -1.567 -3.598 8.911 1.00 0.00 C ATOM 967 O LYS A 62 -2.127 -2.522 8.853 1.00 0.00 O ATOM 968 CB LYS A 62 -1.692 -5.427 10.612 1.00 0.00 C ATOM 969 CG LYS A 62 -2.752 -6.201 11.397 1.00 0.00 C ATOM 970 CD LYS A 62 -2.068 -7.163 12.369 1.00 0.00 C ATOM 971 CE LYS A 62 -3.037 -7.520 13.499 1.00 0.00 C ATOM 972 NZ LYS A 62 -4.213 -8.239 12.935 1.00 0.00 N ATOM 0 H LYS A 62 -1.689 -6.708 8.471 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.365 -4.629 9.524 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.857 -6.082 10.363 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.291 -4.618 11.222 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.392 -5.509 11.944 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.394 -6.755 10.712 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.755 -8.066 11.844 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.168 -6.705 12.778 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.536 -8.144 14.239 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.362 -6.616 14.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.749 -8.687 13.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.825 -7.564 12.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.887 -8.969 12.270 1.00 0.00 H new ATOM 986 N GLU A 63 -0.305 -3.724 8.600 1.00 0.00 N ATOM 987 CA GLU A 63 0.475 -2.533 8.169 1.00 0.00 C ATOM 988 C GLU A 63 -0.289 -1.814 7.054 1.00 0.00 C ATOM 989 O GLU A 63 -0.560 -0.633 7.132 1.00 0.00 O ATOM 990 CB GLU A 63 1.842 -2.984 7.648 1.00 0.00 C ATOM 991 CG GLU A 63 2.812 -1.800 7.659 1.00 0.00 C ATOM 992 CD GLU A 63 3.216 -1.482 9.099 1.00 0.00 C ATOM 993 OE1 GLU A 63 3.059 -2.349 9.943 1.00 0.00 O ATOM 994 OE2 GLU A 63 3.675 -0.377 9.334 1.00 0.00 O ATOM 0 H GLU A 63 0.217 -4.600 8.626 1.00 0.00 H new ATOM 0 HA GLU A 63 0.616 -1.856 9.012 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.231 -3.791 8.269 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.745 -3.378 6.636 1.00 0.00 H new ATOM 0 HG2 GLU A 63 3.696 -2.035 7.066 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.344 -0.929 7.201 1.00 0.00 H new ATOM 1001 N PHE A 64 -0.652 -2.527 6.022 1.00 0.00 N ATOM 1002 CA PHE A 64 -1.413 -1.895 4.908 1.00 0.00 C ATOM 1003 C PHE A 64 -2.498 -0.990 5.498 1.00 0.00 C ATOM 1004 O PHE A 64 -2.645 0.153 5.113 1.00 0.00 O ATOM 1005 CB PHE A 64 -2.065 -2.998 4.061 1.00 0.00 C ATOM 1006 CG PHE A 64 -2.563 -2.436 2.746 1.00 0.00 C ATOM 1007 CD1 PHE A 64 -3.598 -1.492 2.728 1.00 0.00 C ATOM 1008 CD2 PHE A 64 -1.995 -2.867 1.539 1.00 0.00 C ATOM 1009 CE1 PHE A 64 -4.060 -0.980 1.513 1.00 0.00 C ATOM 1010 CE2 PHE A 64 -2.459 -2.354 0.323 1.00 0.00 C ATOM 1011 CZ PHE A 64 -3.492 -1.410 0.310 1.00 0.00 C ATOM 0 H PHE A 64 -0.454 -3.520 5.903 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.744 -1.303 4.283 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.344 -3.794 3.873 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.895 -3.443 4.610 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.040 -1.159 3.656 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -1.198 -3.596 1.548 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -4.857 -0.251 1.503 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -2.020 -2.687 -0.606 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.850 -1.014 -0.629 1.00 0.00 H new ATOM 1021 N GLN A 65 -3.264 -1.499 6.427 1.00 0.00 N ATOM 1022 CA GLN A 65 -4.348 -0.678 7.039 1.00 0.00 C ATOM 1023 C GLN A 65 -3.750 0.353 8.002 1.00 0.00 C ATOM 1024 O GLN A 65 -4.432 1.244 8.468 1.00 0.00 O ATOM 1025 CB GLN A 65 -5.297 -1.598 7.813 1.00 0.00 C ATOM 1026 CG GLN A 65 -6.721 -1.024 7.806 1.00 0.00 C ATOM 1027 CD GLN A 65 -7.632 -1.936 6.983 1.00 0.00 C ATOM 1028 OE1 GLN A 65 -8.558 -1.475 6.344 1.00 0.00 O ATOM 1029 NE2 GLN A 65 -7.407 -3.221 6.971 1.00 0.00 N ATOM 0 H GLN A 65 -3.185 -2.450 6.788 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.890 -0.157 6.250 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.296 -2.592 7.365 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.948 -1.711 8.840 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.097 -0.941 8.826 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.718 -0.019 7.385 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.630 -3.608 7.507 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -8.008 -3.839 6.426 1.00 0.00 H new ATOM 1038 N GLN A 66 -2.483 0.249 8.304 1.00 0.00 N ATOM 1039 CA GLN A 66 -1.865 1.236 9.236 1.00 0.00 C ATOM 1040 C GLN A 66 -1.525 2.500 8.455 1.00 0.00 C ATOM 1041 O GLN A 66 -1.534 3.594 8.981 1.00 0.00 O ATOM 1042 CB GLN A 66 -0.590 0.649 9.846 1.00 0.00 C ATOM 1043 CG GLN A 66 -0.962 -0.469 10.822 1.00 0.00 C ATOM 1044 CD GLN A 66 -1.355 0.137 12.170 1.00 0.00 C ATOM 1045 OE1 GLN A 66 -0.528 0.697 12.863 1.00 0.00 O ATOM 1046 NE2 GLN A 66 -2.592 0.049 12.575 1.00 0.00 N ATOM 0 H GLN A 66 -1.854 -0.471 7.949 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.563 1.471 10.039 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.057 0.260 9.060 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.030 1.427 10.364 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -1.788 -1.056 10.421 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.120 -1.150 10.949 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -3.287 -0.421 11.994 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -2.865 0.450 13.472 1.00 0.00 H new ATOM 1055 N VAL A 67 -1.237 2.352 7.195 1.00 0.00 N ATOM 1056 CA VAL A 67 -0.908 3.535 6.357 1.00 0.00 C ATOM 1057 C VAL A 67 -2.209 4.179 5.888 1.00 0.00 C ATOM 1058 O VAL A 67 -2.415 5.369 6.024 1.00 0.00 O ATOM 1059 CB VAL A 67 -0.108 3.074 5.142 1.00 0.00 C ATOM 1060 CG1 VAL A 67 0.896 4.154 4.739 1.00 0.00 C ATOM 1061 CG2 VAL A 67 0.640 1.794 5.496 1.00 0.00 C ATOM 0 H VAL A 67 -1.215 1.457 6.706 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.323 4.254 6.931 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.787 2.890 4.309 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.463 3.818 3.871 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.363 5.072 4.491 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.579 4.344 5.567 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.214 1.458 4.633 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.316 1.986 6.329 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.075 1.021 5.779 1.00 0.00 H new ATOM 1071 N LEU A 68 -3.088 3.391 5.338 1.00 0.00 N ATOM 1072 CA LEU A 68 -4.385 3.932 4.853 1.00 0.00 C ATOM 1073 C LEU A 68 -4.910 4.976 5.841 1.00 0.00 C ATOM 1074 O LEU A 68 -5.342 6.045 5.460 1.00 0.00 O ATOM 1075 CB LEU A 68 -5.393 2.784 4.737 1.00 0.00 C ATOM 1076 CG LEU A 68 -6.756 3.324 4.291 1.00 0.00 C ATOM 1077 CD1 LEU A 68 -7.432 4.056 5.454 1.00 0.00 C ATOM 1078 CD2 LEU A 68 -6.562 4.291 3.123 1.00 0.00 C ATOM 0 H LEU A 68 -2.962 2.388 5.203 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.245 4.400 3.879 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.034 2.045 4.021 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.490 2.277 5.697 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.387 2.492 3.977 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.400 4.437 5.130 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.573 3.366 6.285 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.804 4.887 5.775 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.531 4.676 2.805 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.928 5.120 3.438 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.089 3.768 2.292 1.00 0.00 H new ATOM 1090 N ASP A 69 -4.881 4.670 7.110 1.00 0.00 N ATOM 1091 CA ASP A 69 -5.386 5.635 8.127 1.00 0.00 C ATOM 1092 C ASP A 69 -4.414 6.808 8.273 1.00 0.00 C ATOM 1093 O ASP A 69 -4.820 7.937 8.462 1.00 0.00 O ATOM 1094 CB ASP A 69 -5.525 4.923 9.474 1.00 0.00 C ATOM 1095 CG ASP A 69 -6.458 5.723 10.386 1.00 0.00 C ATOM 1096 OD1 ASP A 69 -6.653 6.897 10.117 1.00 0.00 O ATOM 1097 OD2 ASP A 69 -6.960 5.150 11.337 1.00 0.00 O ATOM 0 H ASP A 69 -4.528 3.790 7.487 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.355 6.015 7.805 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -5.919 3.918 9.326 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -4.547 4.816 9.942 1.00 0.00 H new ATOM 1102 N GLU A 70 -3.135 6.558 8.200 1.00 0.00 N ATOM 1103 CA GLU A 70 -2.154 7.673 8.349 1.00 0.00 C ATOM 1104 C GLU A 70 -2.325 8.675 7.206 1.00 0.00 C ATOM 1105 O GLU A 70 -2.579 9.842 7.427 1.00 0.00 O ATOM 1106 CB GLU A 70 -0.732 7.111 8.333 1.00 0.00 C ATOM 1107 CG GLU A 70 -0.361 6.623 9.735 1.00 0.00 C ATOM 1108 CD GLU A 70 -0.310 7.815 10.692 1.00 0.00 C ATOM 1109 OE1 GLU A 70 0.038 8.895 10.243 1.00 0.00 O ATOM 1110 OE2 GLU A 70 -0.619 7.628 11.858 1.00 0.00 O ATOM 0 H GLU A 70 -2.728 5.636 8.045 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.332 8.181 9.297 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.662 6.290 7.620 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.030 7.878 8.006 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.093 5.894 10.084 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.605 6.119 9.713 1.00 0.00 H new ATOM 1117 N ILE A 71 -2.187 8.236 5.985 1.00 0.00 N ATOM 1118 CA ILE A 71 -2.340 9.178 4.840 1.00 0.00 C ATOM 1119 C ILE A 71 -3.722 9.831 4.895 1.00 0.00 C ATOM 1120 O ILE A 71 -3.897 10.970 4.510 1.00 0.00 O ATOM 1121 CB ILE A 71 -2.189 8.423 3.519 1.00 0.00 C ATOM 1122 CG1 ILE A 71 -1.439 7.107 3.761 1.00 0.00 C ATOM 1123 CG2 ILE A 71 -1.406 9.291 2.534 1.00 0.00 C ATOM 1124 CD1 ILE A 71 -0.708 6.690 2.483 1.00 0.00 C ATOM 0 H ILE A 71 -1.976 7.271 5.731 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.569 9.946 4.906 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.173 8.201 3.107 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.726 7.228 4.577 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.139 6.328 4.062 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.294 8.759 1.589 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.944 10.224 2.364 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.421 9.510 2.946 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.176 5.755 2.657 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.431 6.552 1.679 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.004 7.466 2.202 1.00 0.00 H new ATOM 1136 N LYS A 72 -4.704 9.117 5.369 1.00 0.00 N ATOM 1137 CA LYS A 72 -6.074 9.698 5.448 1.00 0.00 C ATOM 1138 C LYS A 72 -6.029 11.008 6.237 1.00 0.00 C ATOM 1139 O LYS A 72 -6.589 12.007 5.833 1.00 0.00 O ATOM 1140 CB LYS A 72 -7.006 8.708 6.151 1.00 0.00 C ATOM 1141 CG LYS A 72 -8.459 9.140 5.953 1.00 0.00 C ATOM 1142 CD LYS A 72 -9.358 8.366 6.920 1.00 0.00 C ATOM 1143 CE LYS A 72 -9.218 8.947 8.328 1.00 0.00 C ATOM 1144 NZ LYS A 72 -10.527 9.504 8.769 1.00 0.00 N ATOM 0 H LYS A 72 -4.618 8.158 5.705 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.445 9.895 4.442 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.857 7.705 5.750 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.771 8.664 7.214 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.558 10.212 6.127 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.768 8.954 4.924 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.396 8.425 6.593 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.084 7.311 6.922 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.888 8.173 9.021 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.457 9.728 8.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.431 9.899 9.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.824 10.254 8.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.241 8.748 8.776 1.00 0.00 H new ATOM 1158 N GLN A 73 -5.363 11.012 7.360 1.00 0.00 N ATOM 1159 CA GLN A 73 -5.281 12.259 8.173 1.00 0.00 C ATOM 1160 C GLN A 73 -4.596 13.355 7.354 1.00 0.00 C ATOM 1161 O GLN A 73 -4.828 14.531 7.553 1.00 0.00 O ATOM 1162 CB GLN A 73 -4.467 11.987 9.443 1.00 0.00 C ATOM 1163 CG GLN A 73 -5.297 12.361 10.674 1.00 0.00 C ATOM 1164 CD GLN A 73 -6.470 11.389 10.811 1.00 0.00 C ATOM 1165 OE1 GLN A 73 -6.279 10.228 11.114 1.00 0.00 O ATOM 1166 NE2 GLN A 73 -7.683 11.817 10.598 1.00 0.00 N ATOM 0 H GLN A 73 -4.873 10.207 7.749 1.00 0.00 H new ATOM 0 HA GLN A 73 -6.285 12.582 8.447 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -4.185 10.935 9.488 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -3.543 12.565 9.426 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -4.676 12.327 11.569 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -5.666 13.382 10.581 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -7.843 12.792 10.344 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -8.472 11.177 10.686 1.00 0.00 H new ATOM 1175 N GLN A 74 -3.746 12.980 6.437 1.00 0.00 N ATOM 1176 CA GLN A 74 -3.040 14.000 5.611 1.00 0.00 C ATOM 1177 C GLN A 74 -4.037 14.708 4.689 1.00 0.00 C ATOM 1178 O GLN A 74 -3.912 15.885 4.414 1.00 0.00 O ATOM 1179 CB GLN A 74 -1.964 13.314 4.767 1.00 0.00 C ATOM 1180 CG GLN A 74 -0.964 12.611 5.689 1.00 0.00 C ATOM 1181 CD GLN A 74 0.066 13.625 6.188 1.00 0.00 C ATOM 1182 OE1 GLN A 74 0.021 14.783 5.824 1.00 0.00 O ATOM 1183 NE2 GLN A 74 0.998 13.237 7.015 1.00 0.00 N ATOM 0 H GLN A 74 -3.510 12.011 6.224 1.00 0.00 H new ATOM 0 HA GLN A 74 -2.578 14.736 6.269 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -2.422 12.592 4.091 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.450 14.048 4.147 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -1.486 12.160 6.533 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.465 11.803 5.154 1.00 0.00 H new ATOM 0 HE21 GLN A 74 1.036 12.265 7.321 1.00 0.00 H new ATOM 0 HE22 GLN A 74 1.688 13.906 7.356 1.00 0.00 H new ATOM 1192 N LEU A 75 -5.022 14.003 4.204 1.00 0.00 N ATOM 1193 CA LEU A 75 -6.019 14.641 3.297 1.00 0.00 C ATOM 1194 C LEU A 75 -6.544 15.930 3.933 1.00 0.00 C ATOM 1195 O LEU A 75 -7.245 16.701 3.308 1.00 0.00 O ATOM 1196 CB LEU A 75 -7.183 13.677 3.058 1.00 0.00 C ATOM 1197 CG LEU A 75 -6.904 12.841 1.807 1.00 0.00 C ATOM 1198 CD1 LEU A 75 -6.884 13.752 0.577 1.00 0.00 C ATOM 1199 CD2 LEU A 75 -5.546 12.150 1.949 1.00 0.00 C ATOM 0 H LEU A 75 -5.180 13.014 4.396 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.542 14.877 2.346 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -7.313 13.026 3.922 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.112 14.234 2.936 1.00 0.00 H new ATOM 0 HG LEU A 75 -7.686 12.090 1.691 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.685 13.156 -0.314 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.850 14.247 0.475 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.102 14.503 0.693 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.346 11.554 1.058 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.766 12.902 2.065 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.558 11.501 2.825 1.00 0.00 H new ATOM 1211 N GLN A 76 -6.210 16.171 5.171 1.00 0.00 N ATOM 1212 CA GLN A 76 -6.691 17.411 5.844 1.00 0.00 C ATOM 1213 C GLN A 76 -5.766 18.578 5.488 1.00 0.00 C ATOM 1214 O GLN A 76 -5.170 19.193 6.349 1.00 0.00 O ATOM 1215 CB GLN A 76 -6.691 17.203 7.360 1.00 0.00 C ATOM 1216 CG GLN A 76 -7.571 16.001 7.712 1.00 0.00 C ATOM 1217 CD GLN A 76 -7.844 15.995 9.217 1.00 0.00 C ATOM 1218 OE1 GLN A 76 -6.978 16.320 10.005 1.00 0.00 O ATOM 1219 NE2 GLN A 76 -9.020 15.637 9.653 1.00 0.00 N ATOM 0 H GLN A 76 -5.625 15.564 5.745 1.00 0.00 H new ATOM 0 HA GLN A 76 -7.704 17.636 5.509 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -5.674 17.038 7.715 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.062 18.097 7.860 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.510 16.050 7.161 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -7.076 15.075 7.417 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.748 15.364 8.992 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -9.212 15.630 10.655 1.00 0.00 H new ATOM 1228 N GLY A 77 -5.642 18.888 4.226 1.00 0.00 N ATOM 1229 CA GLY A 77 -4.756 20.015 3.821 1.00 0.00 C ATOM 1230 C GLY A 77 -4.691 20.095 2.294 1.00 0.00 C ATOM 1231 O GLY A 77 -5.599 19.678 1.602 1.00 0.00 O ATOM 0 H GLY A 77 -6.115 18.410 3.459 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.134 20.953 4.228 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.756 19.870 4.230 1.00 0.00 H new ATOM 1235 N GLY A 78 -3.623 20.628 1.765 1.00 0.00 N ATOM 1236 CA GLY A 78 -3.497 20.736 0.284 1.00 0.00 C ATOM 1237 C GLY A 78 -3.170 19.361 -0.303 1.00 0.00 C ATOM 1238 O GLY A 78 -2.398 19.240 -1.232 1.00 0.00 O ATOM 0 H GLY A 78 -2.832 20.993 2.295 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -4.425 21.114 -0.144 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -2.714 21.449 0.026 1.00 0.00 H new ATOM 1242 N ASP A 79 -3.754 18.323 0.231 1.00 0.00 N ATOM 1243 CA ASP A 79 -3.477 16.958 -0.298 1.00 0.00 C ATOM 1244 C ASP A 79 -4.626 16.526 -1.214 1.00 0.00 C ATOM 1245 O ASP A 79 -4.795 15.357 -1.498 1.00 0.00 O ATOM 1246 CB ASP A 79 -3.365 15.972 0.866 1.00 0.00 C ATOM 1247 CG ASP A 79 -1.895 15.809 1.259 1.00 0.00 C ATOM 1248 OD1 ASP A 79 -1.087 15.585 0.374 1.00 0.00 O ATOM 1249 OD2 ASP A 79 -1.603 15.912 2.439 1.00 0.00 O ATOM 0 H ASP A 79 -4.411 18.362 1.011 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.543 16.969 -0.859 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -3.942 16.332 1.718 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -3.785 15.007 0.581 1.00 0.00 H new ATOM 1254 N ASN A 80 -5.418 17.455 -1.676 1.00 0.00 N ATOM 1255 CA ASN A 80 -6.552 17.083 -2.569 1.00 0.00 C ATOM 1256 C ASN A 80 -6.023 16.216 -3.712 1.00 0.00 C ATOM 1257 O ASN A 80 -6.776 15.692 -4.508 1.00 0.00 O ATOM 1258 CB ASN A 80 -7.199 18.350 -3.135 1.00 0.00 C ATOM 1259 CG ASN A 80 -6.121 19.252 -3.737 1.00 0.00 C ATOM 1260 OD1 ASN A 80 -5.399 18.846 -4.625 1.00 0.00 O ATOM 1261 ND2 ASN A 80 -5.981 20.470 -3.290 1.00 0.00 N ATOM 0 H ASN A 80 -5.330 18.451 -1.475 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.299 16.526 -2.003 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -7.933 18.086 -3.896 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.733 18.881 -2.347 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -5.266 21.080 -3.686 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -6.587 20.812 -2.544 1.00 0.00 H new ATOM 1268 N SER A 81 -4.732 16.039 -3.779 1.00 0.00 N ATOM 1269 CA SER A 81 -4.150 15.184 -4.846 1.00 0.00 C ATOM 1270 C SER A 81 -4.205 13.741 -4.364 1.00 0.00 C ATOM 1271 O SER A 81 -4.606 12.847 -5.081 1.00 0.00 O ATOM 1272 CB SER A 81 -2.697 15.586 -5.097 1.00 0.00 C ATOM 1273 OG SER A 81 -2.637 16.453 -6.221 1.00 0.00 O ATOM 0 H SER A 81 -4.055 16.452 -3.138 1.00 0.00 H new ATOM 0 HA SER A 81 -4.708 15.301 -5.775 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.288 16.083 -4.217 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.088 14.700 -5.274 1.00 0.00 H new ATOM 0 HG SER A 81 -1.706 16.714 -6.384 1.00 0.00 H new ATOM 1279 N LEU A 82 -3.825 13.516 -3.135 1.00 0.00 N ATOM 1280 CA LEU A 82 -3.876 12.140 -2.580 1.00 0.00 C ATOM 1281 C LEU A 82 -5.313 11.641 -2.686 1.00 0.00 C ATOM 1282 O LEU A 82 -5.567 10.488 -2.970 1.00 0.00 O ATOM 1283 CB LEU A 82 -3.446 12.165 -1.116 1.00 0.00 C ATOM 1284 CG LEU A 82 -1.930 12.009 -1.030 1.00 0.00 C ATOM 1285 CD1 LEU A 82 -1.253 13.228 -1.656 1.00 0.00 C ATOM 1286 CD2 LEU A 82 -1.508 11.888 0.435 1.00 0.00 C ATOM 0 H LEU A 82 -3.481 14.230 -2.493 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.206 11.481 -3.132 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.753 13.102 -0.651 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.937 11.361 -0.568 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.630 11.110 -1.569 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.171 13.115 -1.594 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.550 13.312 -2.702 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.555 14.128 -1.120 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.425 11.777 0.494 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.811 12.785 0.976 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -1.987 11.016 0.881 1.00 0.00 H new ATOM 1298 N HIS A 83 -6.259 12.516 -2.475 1.00 0.00 N ATOM 1299 CA HIS A 83 -7.683 12.106 -2.579 1.00 0.00 C ATOM 1300 C HIS A 83 -7.838 11.251 -3.831 1.00 0.00 C ATOM 1301 O HIS A 83 -8.714 10.413 -3.927 1.00 0.00 O ATOM 1302 CB HIS A 83 -8.567 13.349 -2.693 1.00 0.00 C ATOM 1303 CG HIS A 83 -9.831 13.146 -1.904 1.00 0.00 C ATOM 1304 ND1 HIS A 83 -10.773 12.185 -2.248 1.00 0.00 N ATOM 1305 CD2 HIS A 83 -10.329 13.780 -0.792 1.00 0.00 C ATOM 1306 CE1 HIS A 83 -11.780 12.269 -1.358 1.00 0.00 C ATOM 1307 NE2 HIS A 83 -11.557 13.223 -0.452 1.00 0.00 N ATOM 0 H HIS A 83 -6.105 13.495 -2.235 1.00 0.00 H new ATOM 0 HA HIS A 83 -7.981 11.542 -1.695 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -8.032 14.223 -2.322 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -8.807 13.542 -3.739 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -9.842 14.586 -0.263 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -12.659 11.642 -1.375 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -12.161 13.488 0.326 1.00 0.00 H new ATOM 1316 N ASN A 84 -6.978 11.455 -4.792 1.00 0.00 N ATOM 1317 CA ASN A 84 -7.049 10.655 -6.044 1.00 0.00 C ATOM 1318 C ASN A 84 -6.094 9.467 -5.933 1.00 0.00 C ATOM 1319 O ASN A 84 -6.377 8.382 -6.402 1.00 0.00 O ATOM 1320 CB ASN A 84 -6.645 11.532 -7.230 1.00 0.00 C ATOM 1321 CG ASN A 84 -7.116 12.967 -6.986 1.00 0.00 C ATOM 1322 OD1 ASN A 84 -8.294 13.254 -7.068 1.00 0.00 O ATOM 1323 ND2 ASN A 84 -6.241 13.888 -6.686 1.00 0.00 N ATOM 0 H ASN A 84 -6.227 12.145 -4.762 1.00 0.00 H new ATOM 0 HA ASN A 84 -8.066 10.293 -6.195 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -5.563 11.510 -7.360 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.085 11.145 -8.149 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -6.546 14.847 -6.521 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -5.252 13.649 -6.617 1.00 0.00 H new ATOM 1330 N VAL A 85 -4.965 9.659 -5.305 1.00 0.00 N ATOM 1331 CA VAL A 85 -3.997 8.543 -5.154 1.00 0.00 C ATOM 1332 C VAL A 85 -4.308 7.791 -3.860 1.00 0.00 C ATOM 1333 O VAL A 85 -4.408 6.581 -3.840 1.00 0.00 O ATOM 1334 CB VAL A 85 -2.583 9.112 -5.091 1.00 0.00 C ATOM 1335 CG1 VAL A 85 -1.619 8.151 -5.779 1.00 0.00 C ATOM 1336 CG2 VAL A 85 -2.547 10.464 -5.807 1.00 0.00 C ATOM 0 H VAL A 85 -4.674 10.544 -4.890 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.074 7.861 -6.001 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.289 9.242 -4.050 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.608 8.556 -5.735 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.645 7.185 -5.274 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.914 8.024 -6.821 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.537 10.872 -5.763 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.840 10.332 -6.849 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.238 11.152 -5.320 1.00 0.00 H new ATOM 1346 N HIS A 86 -4.472 8.503 -2.780 1.00 0.00 N ATOM 1347 CA HIS A 86 -4.788 7.832 -1.489 1.00 0.00 C ATOM 1348 C HIS A 86 -6.020 6.946 -1.681 1.00 0.00 C ATOM 1349 O HIS A 86 -6.251 6.013 -0.939 1.00 0.00 O ATOM 1350 CB HIS A 86 -5.074 8.893 -0.422 1.00 0.00 C ATOM 1351 CG HIS A 86 -6.005 8.329 0.616 1.00 0.00 C ATOM 1352 ND1 HIS A 86 -7.338 8.708 0.698 1.00 0.00 N ATOM 1353 CD2 HIS A 86 -5.812 7.414 1.622 1.00 0.00 C ATOM 1354 CE1 HIS A 86 -7.891 8.027 1.720 1.00 0.00 C ATOM 1355 NE2 HIS A 86 -7.004 7.227 2.314 1.00 0.00 N ATOM 0 H HIS A 86 -4.401 9.520 -2.736 1.00 0.00 H new ATOM 0 HA HIS A 86 -3.944 7.221 -1.169 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -4.143 9.213 0.046 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -5.519 9.775 -0.882 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -7.812 9.380 0.094 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -4.879 6.917 1.842 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -8.924 8.117 2.021 1.00 0.00 H new ATOM 1364 N GLU A 87 -6.811 7.232 -2.680 1.00 0.00 N ATOM 1365 CA GLU A 87 -8.026 6.409 -2.928 1.00 0.00 C ATOM 1366 C GLU A 87 -7.605 5.046 -3.480 1.00 0.00 C ATOM 1367 O GLU A 87 -8.362 4.096 -3.457 1.00 0.00 O ATOM 1368 CB GLU A 87 -8.922 7.121 -3.945 1.00 0.00 C ATOM 1369 CG GLU A 87 -10.354 6.592 -3.824 1.00 0.00 C ATOM 1370 CD GLU A 87 -11.079 6.774 -5.159 1.00 0.00 C ATOM 1371 OE1 GLU A 87 -11.678 7.819 -5.348 1.00 0.00 O ATOM 1372 OE2 GLU A 87 -11.023 5.863 -5.970 1.00 0.00 O ATOM 0 H GLU A 87 -6.667 8.001 -3.335 1.00 0.00 H new ATOM 0 HA GLU A 87 -8.575 6.271 -1.997 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.905 8.197 -3.770 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.546 6.956 -4.955 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -10.342 5.538 -3.545 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -10.884 7.124 -3.034 1.00 0.00 H new ATOM 1379 N ASN A 88 -6.401 4.943 -3.971 1.00 0.00 N ATOM 1380 CA ASN A 88 -5.931 3.641 -4.519 1.00 0.00 C ATOM 1381 C ASN A 88 -5.640 2.684 -3.364 1.00 0.00 C ATOM 1382 O ASN A 88 -6.191 1.605 -3.285 1.00 0.00 O ATOM 1383 CB ASN A 88 -4.658 3.860 -5.338 1.00 0.00 C ATOM 1384 CG ASN A 88 -5.035 4.267 -6.764 1.00 0.00 C ATOM 1385 OD1 ASN A 88 -6.190 4.209 -7.138 1.00 0.00 O ATOM 1386 ND2 ASN A 88 -4.105 4.677 -7.581 1.00 0.00 N ATOM 0 H ASN A 88 -5.723 5.704 -4.016 1.00 0.00 H new ATOM 0 HA ASN A 88 -6.702 3.214 -5.161 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -4.045 4.634 -4.877 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -4.061 2.948 -5.354 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -4.347 4.949 -8.534 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -3.136 4.726 -7.267 1.00 0.00 H new ATOM 1393 N ILE A 89 -4.780 3.073 -2.464 1.00 0.00 N ATOM 1394 CA ILE A 89 -4.459 2.185 -1.313 1.00 0.00 C ATOM 1395 C ILE A 89 -5.734 1.480 -0.850 1.00 0.00 C ATOM 1396 O ILE A 89 -5.772 0.275 -0.709 1.00 0.00 O ATOM 1397 CB ILE A 89 -3.883 3.025 -0.168 1.00 0.00 C ATOM 1398 CG1 ILE A 89 -2.433 3.411 -0.510 1.00 0.00 C ATOM 1399 CG2 ILE A 89 -3.925 2.220 1.135 1.00 0.00 C ATOM 1400 CD1 ILE A 89 -1.450 2.682 0.412 1.00 0.00 C ATOM 0 H ILE A 89 -4.287 3.966 -2.476 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.724 1.439 -1.615 1.00 0.00 H new ATOM 0 HB ILE A 89 -4.476 3.930 -0.037 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.220 3.161 -1.549 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.304 4.489 -0.409 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -3.515 2.820 1.947 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -4.957 1.955 1.366 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -3.334 1.312 1.021 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.430 2.968 0.155 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.653 2.954 1.448 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.567 1.605 0.290 1.00 0.00 H new ATOM 1412 N LYS A 90 -6.784 2.221 -0.618 1.00 0.00 N ATOM 1413 CA LYS A 90 -8.056 1.589 -0.170 1.00 0.00 C ATOM 1414 C LYS A 90 -8.449 0.481 -1.151 1.00 0.00 C ATOM 1415 O LYS A 90 -8.549 -0.674 -0.788 1.00 0.00 O ATOM 1416 CB LYS A 90 -9.162 2.646 -0.121 1.00 0.00 C ATOM 1417 CG LYS A 90 -10.478 1.989 0.299 1.00 0.00 C ATOM 1418 CD LYS A 90 -11.551 3.065 0.471 1.00 0.00 C ATOM 1419 CE LYS A 90 -12.167 3.390 -0.889 1.00 0.00 C ATOM 1420 NZ LYS A 90 -12.626 2.128 -1.538 1.00 0.00 N ATOM 0 H LYS A 90 -6.815 3.235 -0.719 1.00 0.00 H new ATOM 0 HA LYS A 90 -7.919 1.162 0.823 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -8.896 3.434 0.584 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -9.274 3.116 -1.098 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -10.791 1.264 -0.452 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -10.343 1.442 1.232 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -12.323 2.718 1.158 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -11.114 3.963 0.909 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -13.006 4.075 -0.766 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -11.435 3.892 -1.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -13.454 2.326 -2.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -11.860 1.741 -2.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -12.885 1.436 -0.806 1.00 0.00 H new ATOM 1434 N GLU A 91 -8.670 0.821 -2.392 1.00 0.00 N ATOM 1435 CA GLU A 91 -9.054 -0.217 -3.391 1.00 0.00 C ATOM 1436 C GLU A 91 -7.904 -1.212 -3.554 1.00 0.00 C ATOM 1437 O GLU A 91 -8.079 -2.407 -3.422 1.00 0.00 O ATOM 1438 CB GLU A 91 -9.350 0.451 -4.736 1.00 0.00 C ATOM 1439 CG GLU A 91 -10.697 1.172 -4.659 1.00 0.00 C ATOM 1440 CD GLU A 91 -11.060 1.726 -6.038 1.00 0.00 C ATOM 1441 OE1 GLU A 91 -10.263 1.570 -6.948 1.00 0.00 O ATOM 1442 OE2 GLU A 91 -12.131 2.299 -6.160 1.00 0.00 O ATOM 0 H GLU A 91 -8.601 1.771 -2.757 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.945 -0.743 -3.047 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.560 1.159 -4.985 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.370 -0.296 -5.529 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -11.470 0.484 -4.317 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -10.646 1.982 -3.932 1.00 0.00 H new ATOM 1449 N ILE A 92 -6.725 -0.727 -3.832 1.00 0.00 N ATOM 1450 CA ILE A 92 -5.561 -1.643 -3.993 1.00 0.00 C ATOM 1451 C ILE A 92 -5.516 -2.603 -2.804 1.00 0.00 C ATOM 1452 O ILE A 92 -4.923 -3.661 -2.867 1.00 0.00 O ATOM 1453 CB ILE A 92 -4.271 -0.821 -4.036 1.00 0.00 C ATOM 1454 CG1 ILE A 92 -4.017 -0.354 -5.470 1.00 0.00 C ATOM 1455 CG2 ILE A 92 -3.096 -1.682 -3.568 1.00 0.00 C ATOM 1456 CD1 ILE A 92 -3.432 -1.508 -6.284 1.00 0.00 C ATOM 0 H ILE A 92 -6.518 0.264 -3.955 1.00 0.00 H new ATOM 0 HA ILE A 92 -5.659 -2.209 -4.919 1.00 0.00 H new ATOM 0 HB ILE A 92 -4.370 0.043 -3.379 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -4.947 -0.010 -5.922 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.330 0.492 -5.472 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -2.179 -1.094 -3.600 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.276 -2.019 -2.547 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.995 -2.547 -4.223 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -3.250 -1.177 -7.306 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.493 -1.831 -5.835 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -4.135 -2.341 -6.292 1.00 0.00 H new ATOM 1468 N PHE A 93 -6.141 -2.236 -1.720 1.00 0.00 N ATOM 1469 CA PHE A 93 -6.144 -3.118 -0.519 1.00 0.00 C ATOM 1470 C PHE A 93 -6.939 -4.387 -0.826 1.00 0.00 C ATOM 1471 O PHE A 93 -6.406 -5.479 -0.842 1.00 0.00 O ATOM 1472 CB PHE A 93 -6.816 -2.374 0.640 1.00 0.00 C ATOM 1473 CG PHE A 93 -6.311 -2.888 1.971 1.00 0.00 C ATOM 1474 CD1 PHE A 93 -5.785 -4.184 2.090 1.00 0.00 C ATOM 1475 CD2 PHE A 93 -6.377 -2.057 3.096 1.00 0.00 C ATOM 1476 CE1 PHE A 93 -5.325 -4.640 3.332 1.00 0.00 C ATOM 1477 CE2 PHE A 93 -5.918 -2.516 4.336 1.00 0.00 C ATOM 1478 CZ PHE A 93 -5.392 -3.807 4.455 1.00 0.00 C ATOM 0 H PHE A 93 -6.652 -1.360 -1.614 1.00 0.00 H new ATOM 0 HA PHE A 93 -5.121 -3.382 -0.251 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -6.616 -1.306 0.558 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -7.897 -2.501 0.582 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -5.735 -4.829 1.225 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -6.783 -1.060 3.007 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -4.918 -5.636 3.423 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -5.970 -1.873 5.202 1.00 0.00 H new ATOM 0 HZ PHE A 93 -5.038 -4.160 5.412 1.00 0.00 H new ATOM 1488 N HIS A 94 -8.214 -4.248 -1.061 1.00 0.00 N ATOM 1489 CA HIS A 94 -9.054 -5.439 -1.355 1.00 0.00 C ATOM 1490 C HIS A 94 -8.628 -6.062 -2.685 1.00 0.00 C ATOM 1491 O HIS A 94 -9.230 -7.005 -3.156 1.00 0.00 O ATOM 1492 CB HIS A 94 -10.522 -5.018 -1.439 1.00 0.00 C ATOM 1493 CG HIS A 94 -11.391 -6.129 -0.918 1.00 0.00 C ATOM 1494 ND1 HIS A 94 -12.365 -5.914 0.046 1.00 0.00 N ATOM 1495 CD2 HIS A 94 -11.444 -7.470 -1.213 1.00 0.00 C ATOM 1496 CE1 HIS A 94 -12.958 -7.097 0.296 1.00 0.00 C ATOM 1497 NE2 HIS A 94 -12.432 -8.074 -0.443 1.00 0.00 N ATOM 0 H HIS A 94 -8.711 -3.357 -1.062 1.00 0.00 H new ATOM 0 HA HIS A 94 -8.927 -6.172 -0.558 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -10.685 -4.111 -0.858 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -10.787 -4.787 -2.471 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -10.816 -7.976 -1.931 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -13.759 -7.237 1.006 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -12.698 -9.059 -0.444 1.00 0.00 H new ATOM 1506 N HIS A 95 -7.590 -5.555 -3.294 1.00 0.00 N ATOM 1507 CA HIS A 95 -7.140 -6.146 -4.585 1.00 0.00 C ATOM 1508 C HIS A 95 -6.123 -7.238 -4.288 1.00 0.00 C ATOM 1509 O HIS A 95 -5.916 -8.147 -5.067 1.00 0.00 O ATOM 1510 CB HIS A 95 -6.507 -5.063 -5.464 1.00 0.00 C ATOM 1511 CG HIS A 95 -7.590 -4.326 -6.206 1.00 0.00 C ATOM 1512 ND1 HIS A 95 -8.868 -4.845 -6.362 1.00 0.00 N ATOM 1513 CD2 HIS A 95 -7.601 -3.106 -6.840 1.00 0.00 C ATOM 1514 CE1 HIS A 95 -9.587 -3.950 -7.065 1.00 0.00 C ATOM 1515 NE2 HIS A 95 -8.862 -2.876 -7.379 1.00 0.00 N ATOM 0 H HIS A 95 -7.040 -4.765 -2.957 1.00 0.00 H new ATOM 0 HA HIS A 95 -7.992 -6.568 -5.118 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -5.935 -4.368 -4.849 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -5.809 -5.514 -6.170 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -6.761 -2.431 -6.909 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -10.623 -4.085 -7.340 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -9.168 -2.057 -7.905 1.00 0.00 H new ATOM 1524 N LEU A 96 -5.505 -7.164 -3.148 1.00 0.00 N ATOM 1525 CA LEU A 96 -4.519 -8.202 -2.765 1.00 0.00 C ATOM 1526 C LEU A 96 -5.268 -9.334 -2.067 1.00 0.00 C ATOM 1527 O LEU A 96 -5.208 -10.470 -2.482 1.00 0.00 O ATOM 1528 CB LEU A 96 -3.499 -7.595 -1.807 1.00 0.00 C ATOM 1529 CG LEU A 96 -2.088 -8.053 -2.182 1.00 0.00 C ATOM 1530 CD1 LEU A 96 -1.136 -7.728 -1.032 1.00 0.00 C ATOM 1531 CD2 LEU A 96 -2.088 -9.563 -2.437 1.00 0.00 C ATOM 0 H LEU A 96 -5.642 -6.423 -2.460 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.000 -8.582 -3.645 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.558 -6.507 -1.842 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.727 -7.894 -0.784 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.763 -7.538 -3.086 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.128 -8.051 -1.292 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.137 -6.653 -0.852 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.463 -8.247 -0.131 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.082 -9.887 -2.704 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.410 -10.084 -1.535 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.772 -9.794 -3.253 1.00 0.00 H new ATOM 1543 N GLU A 97 -5.987 -9.023 -1.017 1.00 0.00 N ATOM 1544 CA GLU A 97 -6.751 -10.074 -0.291 1.00 0.00 C ATOM 1545 C GLU A 97 -7.530 -10.908 -1.303 1.00 0.00 C ATOM 1546 O GLU A 97 -8.022 -11.977 -1.001 1.00 0.00 O ATOM 1547 CB GLU A 97 -7.727 -9.413 0.684 1.00 0.00 C ATOM 1548 CG GLU A 97 -8.849 -10.396 1.030 1.00 0.00 C ATOM 1549 CD GLU A 97 -9.633 -9.872 2.235 1.00 0.00 C ATOM 1550 OE1 GLU A 97 -10.392 -8.932 2.060 1.00 0.00 O ATOM 1551 OE2 GLU A 97 -9.461 -10.419 3.312 1.00 0.00 O ATOM 0 H GLU A 97 -6.076 -8.082 -0.633 1.00 0.00 H new ATOM 0 HA GLU A 97 -6.064 -10.713 0.264 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -7.203 -9.110 1.590 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -8.145 -8.509 0.240 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -9.515 -10.520 0.176 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -8.431 -11.378 1.254 1.00 0.00 H new ATOM 1558 N GLU A 98 -7.629 -10.430 -2.511 1.00 0.00 N ATOM 1559 CA GLU A 98 -8.356 -11.198 -3.555 1.00 0.00 C ATOM 1560 C GLU A 98 -7.389 -12.214 -4.158 1.00 0.00 C ATOM 1561 O GLU A 98 -7.776 -13.286 -4.577 1.00 0.00 O ATOM 1562 CB GLU A 98 -8.853 -10.240 -4.643 1.00 0.00 C ATOM 1563 CG GLU A 98 -9.391 -11.045 -5.828 1.00 0.00 C ATOM 1564 CD GLU A 98 -8.244 -11.377 -6.786 1.00 0.00 C ATOM 1565 OE1 GLU A 98 -7.198 -10.762 -6.662 1.00 0.00 O ATOM 1566 OE2 GLU A 98 -8.432 -12.240 -7.627 1.00 0.00 O ATOM 0 H GLU A 98 -7.237 -9.540 -2.819 1.00 0.00 H new ATOM 0 HA GLU A 98 -9.215 -11.711 -3.122 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -9.635 -9.594 -4.244 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -8.040 -9.591 -4.970 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -9.860 -11.963 -5.474 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -10.160 -10.475 -6.349 1.00 0.00 H new ATOM 1573 N LEU A 99 -6.125 -11.883 -4.198 1.00 0.00 N ATOM 1574 CA LEU A 99 -5.123 -12.826 -4.763 1.00 0.00 C ATOM 1575 C LEU A 99 -4.690 -13.824 -3.683 1.00 0.00 C ATOM 1576 O LEU A 99 -3.831 -14.656 -3.903 1.00 0.00 O ATOM 1577 CB LEU A 99 -3.907 -12.033 -5.243 1.00 0.00 C ATOM 1578 CG LEU A 99 -4.101 -11.642 -6.708 1.00 0.00 C ATOM 1579 CD1 LEU A 99 -3.464 -10.275 -6.966 1.00 0.00 C ATOM 1580 CD2 LEU A 99 -3.436 -12.687 -7.600 1.00 0.00 C ATOM 0 H LEU A 99 -5.745 -10.998 -3.862 1.00 0.00 H new ATOM 0 HA LEU A 99 -5.562 -13.370 -5.599 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.777 -11.140 -4.631 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.002 -12.631 -5.132 1.00 0.00 H new ATOM 0 HG LEU A 99 -5.167 -11.591 -6.932 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -3.604 -10.000 -8.011 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.935 -9.528 -6.328 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -2.398 -10.322 -6.743 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -3.572 -12.412 -8.646 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.371 -12.735 -7.373 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.890 -13.662 -7.419 1.00 0.00 H new ATOM 1592 N VAL A 100 -5.271 -13.744 -2.515 1.00 0.00 N ATOM 1593 CA VAL A 100 -4.884 -14.687 -1.423 1.00 0.00 C ATOM 1594 C VAL A 100 -6.083 -15.554 -1.024 1.00 0.00 C ATOM 1595 O VAL A 100 -5.928 -16.693 -0.633 1.00 0.00 O ATOM 1596 CB VAL A 100 -4.374 -13.889 -0.212 1.00 0.00 C ATOM 1597 CG1 VAL A 100 -4.114 -12.448 -0.630 1.00 0.00 C ATOM 1598 CG2 VAL A 100 -5.417 -13.888 0.901 1.00 0.00 C ATOM 0 H VAL A 100 -5.995 -13.069 -2.270 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.089 -15.342 -1.778 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.457 -14.354 0.149 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.752 -11.880 0.227 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.364 -12.428 -1.421 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -5.039 -12.003 -0.996 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.041 -13.319 1.751 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -6.337 -13.431 0.537 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.619 -14.913 1.211 1.00 0.00 H new ATOM 1608 N HIS A 101 -7.275 -15.031 -1.116 1.00 0.00 N ATOM 1609 CA HIS A 101 -8.464 -15.843 -0.736 1.00 0.00 C ATOM 1610 C HIS A 101 -8.654 -16.972 -1.751 1.00 0.00 C ATOM 1611 O HIS A 101 -9.202 -18.012 -1.442 1.00 0.00 O ATOM 1612 CB HIS A 101 -9.714 -14.960 -0.714 1.00 0.00 C ATOM 1613 CG HIS A 101 -10.822 -15.686 0.000 1.00 0.00 C ATOM 1614 ND1 HIS A 101 -11.941 -16.167 -0.665 1.00 0.00 N ATOM 1615 CD2 HIS A 101 -10.994 -16.028 1.319 1.00 0.00 C ATOM 1616 CE1 HIS A 101 -12.729 -16.767 0.246 1.00 0.00 C ATOM 1617 NE2 HIS A 101 -12.196 -16.709 1.468 1.00 0.00 N ATOM 0 H HIS A 101 -7.476 -14.083 -1.436 1.00 0.00 H new ATOM 0 HA HIS A 101 -8.308 -16.265 0.257 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -9.499 -14.017 -0.212 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -10.020 -14.717 -1.732 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -10.302 -15.803 2.117 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -13.674 -17.237 0.017 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -12.589 -17.086 2.331 1.00 0.00 H new ATOM 1626 N ARG A 102 -8.205 -16.776 -2.960 1.00 0.00 N ATOM 1627 CA ARG A 102 -8.360 -17.838 -3.994 1.00 0.00 C ATOM 1628 C ARG A 102 -7.082 -18.676 -4.063 1.00 0.00 C ATOM 1629 O ARG A 102 -6.556 -19.007 -3.013 1.00 0.00 O ATOM 1630 CB ARG A 102 -8.616 -17.187 -5.355 1.00 0.00 C ATOM 1631 CG ARG A 102 -9.521 -15.967 -5.176 1.00 0.00 C ATOM 1632 CD ARG A 102 -10.625 -15.994 -6.233 1.00 0.00 C ATOM 1633 NE ARG A 102 -10.038 -16.351 -7.555 1.00 0.00 N ATOM 1634 CZ ARG A 102 -10.753 -16.232 -8.638 1.00 0.00 C ATOM 1635 NH1 ARG A 102 -11.982 -15.801 -8.561 1.00 0.00 N ATOM 1636 NH2 ARG A 102 -10.240 -16.541 -9.798 1.00 0.00 N ATOM 1637 OXT ARG A 102 -6.650 -18.972 -5.164 1.00 0.00 O ATOM 0 H ARG A 102 -7.738 -15.927 -3.277 1.00 0.00 H new ATOM 0 HA ARG A 102 -9.201 -18.481 -3.732 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -7.672 -16.889 -5.810 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -9.083 -17.904 -6.030 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -9.958 -15.968 -4.178 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -8.937 -15.051 -5.267 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -11.391 -16.718 -5.956 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -11.112 -15.021 -6.290 1.00 0.00 H new ATOM 0 HE ARG A 102 -9.077 -16.688 -7.612 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -12.381 -15.558 -7.654 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -12.543 -15.707 -9.407 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -9.278 -16.876 -9.857 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -10.801 -16.447 -10.645 1.00 0.00 H new TER 1651 ARG A 102