USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 700 hydrogens (8 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 NoAdj-H: B 203 SEP H2 : B 203 SEP N : B 202 ILE C :(H bumps) USER MOD NoAdj-H: B 205 SEP H2 : B 205 SEP N : B 204 ASP C :(H bumps) USER MOD NoAdj-H: B 205 SEP H : B 205 SEP N : B 204 ASP C :(H bumps) USER MOD Set 1.1: A 35 HIS : no HD1:sc= 1.77 K(o=2.3,f=-7.7!) USER MOD Set 1.2: B 199 CYS SG : rot -62:sc= 0.572 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -155:sc= 2.53 (180deg=2.17) USER MOD Single : A 25 LYS NZ :NH3+ -171:sc= 1.3 (180deg=1.19) USER MOD Single : A 29 GLN : amide:sc= -0.694 X(o=-0.69,f=-0.93) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -133:sc= -0.43! USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -135:sc= 1.1 (180deg=-0.875!) USER MOD Single : A 40 MET CE :methyl 171:sc= -0.0154 (180deg=-0.179) USER MOD Single : A 41 THR OG1 : rot 176:sc= 0.612 USER MOD Single : A 42 THR OG1 : rot -51:sc= 0.135 USER MOD Single : A 43 HIS : no HE2:sc= -3.9! C(o=-3.9!,f=-5.9!) USER MOD Single : A 45 LYS NZ :NH3+ 175:sc= 1.19 (180deg=1.04) USER MOD Single : A 46 LYS NZ :NH3+ -157:sc= 1.22 (180deg=0.853) USER MOD Single : A 48 LYS NZ :NH3+ 154:sc= 1.99 (180deg=1.73) USER MOD Single : A 50 SER OG : rot 68:sc= 1.06 USER MOD Single : A 51 TYR OH : rot 180:sc= -0.384 USER MOD Single : A 52 CYS SG : rot 78:sc= 1.29 USER MOD Single : A 53 GLN : amide:sc= -1.88 K(o=-1.9,f=-4.1!) USER MOD Single : A 55 GLN : amide:sc= -0.247 X(o=-0.25,f=-0.46) USER MOD Single : A 59 MET CE :methyl 179:sc= 0 (180deg=-0.000768) USER MOD Single : A 60 ASN : amide:sc= 0.139 X(o=0.14,f=0) USER MOD Single : A 61 SER OG : rot -86:sc= 1.23 USER MOD Single : A 69 GLN : amide:sc= -0.0677 K(o=-0.068,f=-1.3!) USER MOD Single : A 74 ASN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 75 HIS : no HD1:sc= 0.734 K(o=0.73,f=-6.3!) USER MOD Single : A 76 THR OG1 : rot -28:sc= 0.63 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 150:sc= 1.27 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 GLN : amide:sc= -0.0562 K(o=-0.056,f=-1.6!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0744 USER MOD Single : B 196 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 21 13.682 -5.881 0.257 1.00 10.00 N ATOM 2 CA TYR A 21 12.311 -6.124 -0.165 1.00 10.00 C ATOM 3 C TYR A 21 11.402 -6.330 1.048 1.00 10.00 C ATOM 4 O TYR A 21 11.654 -7.195 1.890 1.00 10.00 O ATOM 5 CB TYR A 21 12.243 -7.349 -1.082 1.00 10.00 C ATOM 6 CG TYR A 21 12.935 -7.158 -2.417 1.00 10.00 C ATOM 7 CD1 TYR A 21 12.280 -6.553 -3.484 1.00 10.00 C ATOM 8 CD2 TYR A 21 14.240 -7.593 -2.612 1.00 10.00 C ATOM 9 CE1 TYR A 21 12.908 -6.388 -4.706 1.00 10.00 C ATOM 10 CE2 TYR A 21 14.874 -7.429 -3.828 1.00 10.00 C ATOM 11 CZ TYR A 21 14.203 -6.827 -4.872 1.00 10.00 C ATOM 12 OH TYR A 21 14.830 -6.667 -6.087 1.00 10.00 O ATOM 0 HA TYR A 21 11.965 -5.250 -0.717 1.00 10.00 H new ATOM 0 HB2 TYR A 21 12.693 -8.199 -0.569 1.00 10.00 H new ATOM 0 HB3 TYR A 21 11.197 -7.600 -1.259 1.00 10.00 H new ATOM 0 HD1 TYR A 21 11.265 -6.206 -3.357 1.00 10.00 H new ATOM 0 HD2 TYR A 21 14.768 -8.068 -1.798 1.00 10.00 H new ATOM 0 HE1 TYR A 21 12.385 -5.917 -5.526 1.00 10.00 H new ATOM 0 HE2 TYR A 21 15.890 -7.770 -3.961 1.00 10.00 H new ATOM 0 HH TYR A 21 15.739 -7.029 -6.036 1.00 10.00 H new ATOM 22 N ILE A 22 10.355 -5.525 1.129 1.00 10.00 N ATOM 23 CA ILE A 22 9.396 -5.599 2.220 1.00 10.00 C ATOM 24 C ILE A 22 8.037 -6.013 1.676 1.00 10.00 C ATOM 25 O ILE A 22 7.321 -5.208 1.080 1.00 10.00 O ATOM 26 CB ILE A 22 9.266 -4.243 2.949 1.00 10.00 C ATOM 27 CG1 ILE A 22 10.617 -3.797 3.512 1.00 10.00 C ATOM 28 CG2 ILE A 22 8.227 -4.326 4.056 1.00 10.00 C ATOM 29 CD1 ILE A 22 11.197 -4.751 4.536 1.00 10.00 C ATOM 0 H ILE A 22 10.146 -4.802 0.441 1.00 10.00 H new ATOM 0 HA ILE A 22 9.754 -6.338 2.936 1.00 10.00 H new ATOM 0 HB ILE A 22 8.936 -3.499 2.224 1.00 10.00 H new ATOM 0 HG12 ILE A 22 11.324 -3.687 2.690 1.00 10.00 H new ATOM 0 HG13 ILE A 22 10.503 -2.814 3.968 1.00 10.00 H new ATOM 0 HG21 ILE A 22 8.151 -3.361 4.557 1.00 10.00 H new ATOM 0 HG22 ILE A 22 7.260 -4.590 3.628 1.00 10.00 H new ATOM 0 HG23 ILE A 22 8.524 -5.087 4.778 1.00 10.00 H new ATOM 0 HD11 ILE A 22 12.154 -4.368 4.889 1.00 10.00 H new ATOM 0 HD12 ILE A 22 10.510 -4.843 5.378 1.00 10.00 H new ATOM 0 HD13 ILE A 22 11.344 -5.730 4.079 1.00 10.00 H new ATOM 41 N LYS A 23 7.689 -7.271 1.866 1.00 10.00 N ATOM 42 CA LYS A 23 6.423 -7.785 1.378 1.00 10.00 C ATOM 43 C LYS A 23 5.321 -7.609 2.412 1.00 10.00 C ATOM 44 O LYS A 23 5.335 -8.241 3.472 1.00 10.00 O ATOM 45 CB LYS A 23 6.561 -9.257 0.993 1.00 10.00 C ATOM 46 CG LYS A 23 5.321 -9.839 0.339 1.00 10.00 C ATOM 47 CD LYS A 23 5.195 -11.328 0.621 1.00 10.00 C ATOM 48 CE LYS A 23 4.896 -11.593 2.090 1.00 10.00 C ATOM 49 NZ LYS A 23 6.005 -12.312 2.770 1.00 10.00 N ATOM 0 H LYS A 23 8.265 -7.956 2.355 1.00 10.00 H new ATOM 0 HA LYS A 23 6.146 -7.213 0.492 1.00 10.00 H new ATOM 0 HB2 LYS A 23 7.405 -9.367 0.312 1.00 10.00 H new ATOM 0 HB3 LYS A 23 6.795 -9.836 1.886 1.00 10.00 H new ATOM 0 HG2 LYS A 23 4.436 -9.321 0.707 1.00 10.00 H new ATOM 0 HG3 LYS A 23 5.363 -9.673 -0.737 1.00 10.00 H new ATOM 0 HD2 LYS A 23 4.401 -11.750 0.005 1.00 10.00 H new ATOM 0 HD3 LYS A 23 6.119 -11.832 0.340 1.00 10.00 H new ATOM 0 HE2 LYS A 23 4.714 -10.646 2.598 1.00 10.00 H new ATOM 0 HE3 LYS A 23 3.981 -12.180 2.172 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 5.630 -12.834 3.588 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 6.445 -12.980 2.105 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 6.717 -11.626 3.093 1.00 10.00 H new ATOM 63 N LEU A 24 4.377 -6.734 2.101 1.00 10.00 N ATOM 64 CA LEU A 24 3.249 -6.475 2.977 1.00 10.00 C ATOM 65 C LEU A 24 2.085 -7.363 2.570 1.00 10.00 C ATOM 66 O LEU A 24 1.962 -7.739 1.401 1.00 10.00 O ATOM 67 CB LEU A 24 2.834 -5.002 2.905 1.00 10.00 C ATOM 68 CG LEU A 24 3.909 -3.997 3.323 1.00 10.00 C ATOM 69 CD1 LEU A 24 3.390 -2.579 3.172 1.00 10.00 C ATOM 70 CD2 LEU A 24 4.353 -4.247 4.755 1.00 10.00 C ATOM 0 H LEU A 24 4.372 -6.188 1.240 1.00 10.00 H new ATOM 0 HA LEU A 24 3.539 -6.697 4.004 1.00 10.00 H new ATOM 0 HB2 LEU A 24 2.528 -4.778 1.883 1.00 10.00 H new ATOM 0 HB3 LEU A 24 1.959 -4.857 3.539 1.00 10.00 H new ATOM 0 HG LEU A 24 4.772 -4.127 2.670 1.00 10.00 H new ATOM 0 HD11 LEU A 24 4.165 -1.874 3.473 1.00 10.00 H new ATOM 0 HD12 LEU A 24 3.120 -2.399 2.131 1.00 10.00 H new ATOM 0 HD13 LEU A 24 2.512 -2.444 3.803 1.00 10.00 H new ATOM 0 HD21 LEU A 24 5.118 -3.521 5.031 1.00 10.00 H new ATOM 0 HD22 LEU A 24 3.498 -4.146 5.424 1.00 10.00 H new ATOM 0 HD23 LEU A 24 4.762 -5.254 4.839 1.00 10.00 H new ATOM 82 N LYS A 25 1.238 -7.701 3.526 1.00 10.00 N ATOM 83 CA LYS A 25 0.097 -8.554 3.249 1.00 10.00 C ATOM 84 C LYS A 25 -1.200 -7.765 3.312 1.00 10.00 C ATOM 85 O LYS A 25 -1.634 -7.332 4.382 1.00 10.00 O ATOM 86 CB LYS A 25 0.055 -9.730 4.227 1.00 10.00 C ATOM 87 CG LYS A 25 1.300 -10.604 4.171 1.00 10.00 C ATOM 88 CD LYS A 25 1.022 -12.016 4.665 1.00 10.00 C ATOM 89 CE LYS A 25 0.033 -12.738 3.765 1.00 10.00 C ATOM 90 NZ LYS A 25 0.107 -14.213 3.926 1.00 10.00 N ATOM 0 H LYS A 25 1.318 -7.399 4.497 1.00 10.00 H new ATOM 0 HA LYS A 25 0.207 -8.947 2.238 1.00 10.00 H new ATOM 0 HB2 LYS A 25 -0.066 -9.347 5.240 1.00 10.00 H new ATOM 0 HB3 LYS A 25 -0.820 -10.342 4.011 1.00 10.00 H new ATOM 0 HG2 LYS A 25 1.670 -10.644 3.147 1.00 10.00 H new ATOM 0 HG3 LYS A 25 2.087 -10.155 4.777 1.00 10.00 H new ATOM 0 HD2 LYS A 25 1.955 -12.578 4.706 1.00 10.00 H new ATOM 0 HD3 LYS A 25 0.629 -11.976 5.681 1.00 10.00 H new ATOM 0 HE2 LYS A 25 -0.978 -12.399 3.992 1.00 10.00 H new ATOM 0 HE3 LYS A 25 0.231 -12.477 2.726 1.00 10.00 H new ATOM 0 HZ1 LYS A 25 -0.469 -14.672 3.192 1.00 10.00 H new ATOM 0 HZ2 LYS A 25 1.095 -14.523 3.834 1.00 10.00 H new ATOM 0 HZ3 LYS A 25 -0.253 -14.478 4.865 1.00 10.00 H new ATOM 104 N VAL A 26 -1.808 -7.566 2.153 1.00 10.00 N ATOM 105 CA VAL A 26 -3.059 -6.838 2.068 1.00 10.00 C ATOM 106 C VAL A 26 -4.221 -7.814 2.024 1.00 10.00 C ATOM 107 O VAL A 26 -4.395 -8.543 1.045 1.00 10.00 O ATOM 108 CB VAL A 26 -3.122 -5.934 0.820 1.00 10.00 C ATOM 109 CG1 VAL A 26 -4.237 -4.912 0.966 1.00 10.00 C ATOM 110 CG2 VAL A 26 -1.786 -5.251 0.566 1.00 10.00 C ATOM 0 H VAL A 26 -1.452 -7.900 1.257 1.00 10.00 H new ATOM 0 HA VAL A 26 -3.123 -6.204 2.952 1.00 10.00 H new ATOM 0 HB VAL A 26 -3.339 -6.561 -0.045 1.00 10.00 H new ATOM 0 HG11 VAL A 26 -4.270 -4.280 0.078 1.00 10.00 H new ATOM 0 HG12 VAL A 26 -5.190 -5.428 1.080 1.00 10.00 H new ATOM 0 HG13 VAL A 26 -4.051 -4.294 1.844 1.00 10.00 H new ATOM 0 HG21 VAL A 26 -1.862 -4.621 -0.320 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -1.522 -4.637 1.427 1.00 10.00 H new ATOM 0 HG23 VAL A 26 -1.015 -6.006 0.409 1.00 10.00 H new ATOM 120 N ILE A 27 -4.996 -7.847 3.091 1.00 10.00 N ATOM 121 CA ILE A 27 -6.138 -8.735 3.166 1.00 10.00 C ATOM 122 C ILE A 27 -7.400 -7.998 2.740 1.00 10.00 C ATOM 123 O ILE A 27 -7.840 -7.056 3.407 1.00 10.00 O ATOM 124 CB ILE A 27 -6.326 -9.306 4.590 1.00 10.00 C ATOM 125 CG1 ILE A 27 -5.031 -9.971 5.077 1.00 10.00 C ATOM 126 CG2 ILE A 27 -7.484 -10.296 4.624 1.00 10.00 C ATOM 127 CD1 ILE A 27 -4.542 -11.095 4.185 1.00 10.00 C ATOM 0 H ILE A 27 -4.855 -7.268 3.919 1.00 10.00 H new ATOM 0 HA ILE A 27 -5.952 -9.569 2.490 1.00 10.00 H new ATOM 0 HB ILE A 27 -6.563 -8.481 5.262 1.00 10.00 H new ATOM 0 HG12 ILE A 27 -4.251 -9.213 5.150 1.00 10.00 H new ATOM 0 HG13 ILE A 27 -5.191 -10.362 6.082 1.00 10.00 H new ATOM 0 HG21 ILE A 27 -7.599 -10.686 5.635 1.00 10.00 H new ATOM 0 HG22 ILE A 27 -8.402 -9.792 4.322 1.00 10.00 H new ATOM 0 HG23 ILE A 27 -7.280 -11.119 3.939 1.00 10.00 H new ATOM 0 HD11 ILE A 27 -3.623 -11.513 4.597 1.00 10.00 H new ATOM 0 HD12 ILE A 27 -5.303 -11.874 4.131 1.00 10.00 H new ATOM 0 HD13 ILE A 27 -4.348 -10.708 3.185 1.00 10.00 H new ATOM 139 N GLY A 28 -7.957 -8.414 1.614 1.00 10.00 N ATOM 140 CA GLY A 28 -9.162 -7.794 1.107 1.00 10.00 C ATOM 141 C GLY A 28 -10.392 -8.284 1.838 1.00 10.00 C ATOM 142 O GLY A 28 -10.353 -9.318 2.508 1.00 10.00 O ATOM 0 H GLY A 28 -7.594 -9.174 1.039 1.00 10.00 H new ATOM 0 HA2 GLY A 28 -9.085 -6.711 1.209 1.00 10.00 H new ATOM 0 HA3 GLY A 28 -9.262 -8.008 0.043 1.00 10.00 H new ATOM 146 N GLN A 29 -11.490 -7.559 1.696 1.00 10.00 N ATOM 147 CA GLN A 29 -12.734 -7.918 2.360 1.00 10.00 C ATOM 148 C GLN A 29 -13.347 -9.160 1.720 1.00 10.00 C ATOM 149 O GLN A 29 -14.126 -9.875 2.351 1.00 10.00 O ATOM 150 CB GLN A 29 -13.717 -6.749 2.310 1.00 10.00 C ATOM 151 CG GLN A 29 -14.553 -6.598 3.570 1.00 10.00 C ATOM 152 CD GLN A 29 -13.732 -6.163 4.768 1.00 10.00 C ATOM 153 OE1 GLN A 29 -13.524 -4.970 4.991 1.00 10.00 O ATOM 154 NE2 GLN A 29 -13.270 -7.121 5.555 1.00 10.00 N ATOM 0 H GLN A 29 -11.545 -6.716 1.125 1.00 10.00 H new ATOM 0 HA GLN A 29 -12.516 -8.145 3.403 1.00 10.00 H new ATOM 0 HB2 GLN A 29 -13.162 -5.826 2.140 1.00 10.00 H new ATOM 0 HB3 GLN A 29 -14.383 -6.882 1.457 1.00 10.00 H new ATOM 0 HG2 GLN A 29 -15.343 -5.868 3.392 1.00 10.00 H new ATOM 0 HG3 GLN A 29 -15.040 -7.547 3.794 1.00 10.00 H new ATOM 0 HE21 GLN A 29 -13.464 -8.098 5.336 1.00 10.00 H new ATOM 0 HE22 GLN A 29 -12.720 -6.882 6.380 1.00 10.00 H new ATOM 163 N ASP A 30 -12.977 -9.423 0.471 1.00 10.00 N ATOM 164 CA ASP A 30 -13.485 -10.587 -0.249 1.00 10.00 C ATOM 165 C ASP A 30 -12.550 -11.783 -0.068 1.00 10.00 C ATOM 166 O ASP A 30 -12.532 -12.701 -0.888 1.00 10.00 O ATOM 167 CB ASP A 30 -13.674 -10.269 -1.740 1.00 10.00 C ATOM 168 CG ASP A 30 -12.374 -9.975 -2.469 1.00 10.00 C ATOM 169 OD1 ASP A 30 -11.758 -8.922 -2.201 1.00 10.00 O ATOM 170 OD2 ASP A 30 -11.978 -10.778 -3.339 1.00 10.00 O ATOM 0 H ASP A 30 -12.328 -8.847 -0.064 1.00 10.00 H new ATOM 0 HA ASP A 30 -14.458 -10.845 0.169 1.00 10.00 H new ATOM 0 HB2 ASP A 30 -14.169 -11.112 -2.223 1.00 10.00 H new ATOM 0 HB3 ASP A 30 -14.338 -9.410 -1.838 1.00 10.00 H new ATOM 175 N SER A 31 -11.788 -11.756 1.029 1.00 10.00 N ATOM 176 CA SER A 31 -10.841 -12.821 1.372 1.00 10.00 C ATOM 177 C SER A 31 -9.691 -12.891 0.367 1.00 10.00 C ATOM 178 O SER A 31 -9.128 -13.956 0.126 1.00 10.00 O ATOM 179 CB SER A 31 -11.559 -14.176 1.459 1.00 10.00 C ATOM 180 OG SER A 31 -12.676 -14.116 2.337 1.00 10.00 O ATOM 0 H SER A 31 -11.810 -10.993 1.706 1.00 10.00 H new ATOM 0 HA SER A 31 -10.418 -12.585 2.349 1.00 10.00 H new ATOM 0 HB2 SER A 31 -11.891 -14.478 0.466 1.00 10.00 H new ATOM 0 HB3 SER A 31 -10.861 -14.938 1.807 1.00 10.00 H new ATOM 0 HG SER A 31 -13.113 -14.992 2.370 1.00 10.00 H new ATOM 186 N SER A 32 -9.337 -11.748 -0.195 1.00 10.00 N ATOM 187 CA SER A 32 -8.262 -11.669 -1.172 1.00 10.00 C ATOM 188 C SER A 32 -6.911 -11.460 -0.491 1.00 10.00 C ATOM 189 O SER A 32 -6.754 -10.556 0.333 1.00 10.00 O ATOM 190 CB SER A 32 -8.551 -10.519 -2.136 1.00 10.00 C ATOM 191 OG SER A 32 -9.269 -9.486 -1.476 1.00 10.00 O ATOM 0 H SER A 32 -9.782 -10.854 0.010 1.00 10.00 H new ATOM 0 HA SER A 32 -8.213 -12.610 -1.720 1.00 10.00 H new ATOM 0 HB2 SER A 32 -7.615 -10.124 -2.532 1.00 10.00 H new ATOM 0 HB3 SER A 32 -9.127 -10.885 -2.986 1.00 10.00 H new ATOM 0 HG SER A 32 -10.021 -9.202 -2.036 1.00 10.00 H new ATOM 197 N GLU A 33 -5.949 -12.311 -0.818 1.00 10.00 N ATOM 198 CA GLU A 33 -4.613 -12.205 -0.253 1.00 10.00 C ATOM 199 C GLU A 33 -3.670 -11.576 -1.274 1.00 10.00 C ATOM 200 O GLU A 33 -3.158 -12.254 -2.168 1.00 10.00 O ATOM 201 CB GLU A 33 -4.097 -13.585 0.170 1.00 10.00 C ATOM 202 CG GLU A 33 -3.011 -13.531 1.237 1.00 10.00 C ATOM 203 CD GLU A 33 -2.412 -14.892 1.538 1.00 10.00 C ATOM 204 OE1 GLU A 33 -1.167 -14.990 1.632 1.00 10.00 O ATOM 205 OE2 GLU A 33 -3.178 -15.865 1.691 1.00 10.00 O ATOM 0 H GLU A 33 -6.070 -13.084 -1.473 1.00 10.00 H new ATOM 0 HA GLU A 33 -4.654 -11.570 0.632 1.00 10.00 H new ATOM 0 HB2 GLU A 33 -4.933 -14.177 0.544 1.00 10.00 H new ATOM 0 HB3 GLU A 33 -3.707 -14.102 -0.707 1.00 10.00 H new ATOM 0 HG2 GLU A 33 -2.220 -12.856 0.910 1.00 10.00 H new ATOM 0 HG3 GLU A 33 -3.429 -13.113 2.153 1.00 10.00 H new ATOM 212 N ILE A 34 -3.464 -10.273 -1.155 1.00 10.00 N ATOM 213 CA ILE A 34 -2.592 -9.557 -2.072 1.00 10.00 C ATOM 214 C ILE A 34 -1.223 -9.327 -1.444 1.00 10.00 C ATOM 215 O ILE A 34 -1.110 -8.763 -0.353 1.00 10.00 O ATOM 216 CB ILE A 34 -3.199 -8.199 -2.495 1.00 10.00 C ATOM 217 CG1 ILE A 34 -4.638 -8.381 -2.995 1.00 10.00 C ATOM 218 CG2 ILE A 34 -2.340 -7.530 -3.565 1.00 10.00 C ATOM 219 CD1 ILE A 34 -4.759 -9.255 -4.228 1.00 10.00 C ATOM 0 H ILE A 34 -3.889 -9.691 -0.433 1.00 10.00 H new ATOM 0 HA ILE A 34 -2.484 -10.177 -2.962 1.00 10.00 H new ATOM 0 HB ILE A 34 -3.219 -7.550 -1.620 1.00 10.00 H new ATOM 0 HG12 ILE A 34 -5.237 -8.815 -2.195 1.00 10.00 H new ATOM 0 HG13 ILE A 34 -5.062 -7.401 -3.214 1.00 10.00 H new ATOM 0 HG21 ILE A 34 -2.787 -6.577 -3.847 1.00 10.00 H new ATOM 0 HG22 ILE A 34 -1.338 -7.359 -3.173 1.00 10.00 H new ATOM 0 HG23 ILE A 34 -2.281 -8.176 -4.441 1.00 10.00 H new ATOM 0 HD11 ILE A 34 -5.807 -9.333 -4.517 1.00 10.00 H new ATOM 0 HD12 ILE A 34 -4.189 -8.812 -5.045 1.00 10.00 H new ATOM 0 HD13 ILE A 34 -4.368 -10.249 -4.010 1.00 10.00 H new ATOM 231 N HIS A 35 -0.187 -9.777 -2.130 1.00 10.00 N ATOM 232 CA HIS A 35 1.176 -9.622 -1.649 1.00 10.00 C ATOM 233 C HIS A 35 1.848 -8.457 -2.355 1.00 10.00 C ATOM 234 O HIS A 35 2.178 -8.544 -3.541 1.00 10.00 O ATOM 235 CB HIS A 35 1.994 -10.894 -1.892 1.00 10.00 C ATOM 236 CG HIS A 35 1.344 -12.152 -1.404 1.00 10.00 C ATOM 237 ND1 HIS A 35 1.371 -13.308 -2.152 1.00 10.00 N ATOM 238 CD2 HIS A 35 0.667 -12.386 -0.252 1.00 10.00 C ATOM 239 CE1 HIS A 35 0.712 -14.211 -1.444 1.00 10.00 C ATOM 240 NE2 HIS A 35 0.270 -13.697 -0.289 1.00 10.00 N ATOM 0 H HIS A 35 -0.264 -10.256 -3.027 1.00 10.00 H new ATOM 0 HA HIS A 35 1.132 -9.431 -0.577 1.00 10.00 H new ATOM 0 HB2 HIS A 35 2.185 -10.990 -2.961 1.00 10.00 H new ATOM 0 HB3 HIS A 35 2.962 -10.787 -1.403 1.00 10.00 H new ATOM 0 HD2 HIS A 35 0.478 -11.677 0.540 1.00 10.00 H new ATOM 0 HE1 HIS A 35 0.551 -15.232 -1.757 1.00 10.00 H new ATOM 0 HE2 HIS A 35 -0.262 -14.189 0.429 1.00 10.00 H new ATOM 248 N PHE A 36 2.041 -7.366 -1.638 1.00 10.00 N ATOM 249 CA PHE A 36 2.686 -6.198 -2.210 1.00 10.00 C ATOM 250 C PHE A 36 4.114 -6.105 -1.693 1.00 10.00 C ATOM 251 O PHE A 36 4.339 -5.863 -0.509 1.00 10.00 O ATOM 252 CB PHE A 36 1.910 -4.918 -1.875 1.00 10.00 C ATOM 253 CG PHE A 36 1.993 -3.870 -2.951 1.00 10.00 C ATOM 254 CD1 PHE A 36 3.161 -3.686 -3.673 1.00 10.00 C ATOM 255 CD2 PHE A 36 0.897 -3.076 -3.249 1.00 10.00 C ATOM 256 CE1 PHE A 36 3.235 -2.737 -4.669 1.00 10.00 C ATOM 257 CE2 PHE A 36 0.967 -2.121 -4.244 1.00 10.00 C ATOM 258 CZ PHE A 36 2.137 -1.951 -4.955 1.00 10.00 C ATOM 0 H PHE A 36 1.762 -7.264 -0.662 1.00 10.00 H new ATOM 0 HA PHE A 36 2.699 -6.302 -3.295 1.00 10.00 H new ATOM 0 HB2 PHE A 36 0.864 -5.171 -1.704 1.00 10.00 H new ATOM 0 HB3 PHE A 36 2.294 -4.503 -0.943 1.00 10.00 H new ATOM 0 HD1 PHE A 36 4.025 -4.295 -3.452 1.00 10.00 H new ATOM 0 HD2 PHE A 36 -0.022 -3.206 -2.697 1.00 10.00 H new ATOM 0 HE1 PHE A 36 4.152 -2.608 -5.226 1.00 10.00 H new ATOM 0 HE2 PHE A 36 0.106 -1.507 -4.465 1.00 10.00 H new ATOM 0 HZ PHE A 36 2.194 -1.205 -5.734 1.00 10.00 H new ATOM 268 N LYS A 37 5.073 -6.313 -2.578 1.00 10.00 N ATOM 269 CA LYS A 37 6.470 -6.258 -2.192 1.00 10.00 C ATOM 270 C LYS A 37 7.036 -4.867 -2.441 1.00 10.00 C ATOM 271 O LYS A 37 7.417 -4.517 -3.561 1.00 10.00 O ATOM 272 CB LYS A 37 7.285 -7.328 -2.923 1.00 10.00 C ATOM 273 CG LYS A 37 8.709 -7.459 -2.415 1.00 10.00 C ATOM 274 CD LYS A 37 9.387 -8.702 -2.973 1.00 10.00 C ATOM 275 CE LYS A 37 9.041 -9.943 -2.168 1.00 10.00 C ATOM 276 NZ LYS A 37 9.646 -11.166 -2.755 1.00 10.00 N ATOM 0 H LYS A 37 4.910 -6.520 -3.563 1.00 10.00 H new ATOM 0 HA LYS A 37 6.539 -6.466 -1.124 1.00 10.00 H new ATOM 0 HB2 LYS A 37 6.782 -8.289 -2.821 1.00 10.00 H new ATOM 0 HB3 LYS A 37 7.308 -7.092 -3.987 1.00 10.00 H new ATOM 0 HG2 LYS A 37 9.280 -6.574 -2.697 1.00 10.00 H new ATOM 0 HG3 LYS A 37 8.706 -7.503 -1.326 1.00 10.00 H new ATOM 0 HD2 LYS A 37 9.085 -8.846 -4.010 1.00 10.00 H new ATOM 0 HD3 LYS A 37 10.467 -8.558 -2.972 1.00 10.00 H new ATOM 0 HE2 LYS A 37 9.390 -9.821 -1.143 1.00 10.00 H new ATOM 0 HE3 LYS A 37 7.958 -10.058 -2.124 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 9.388 -11.992 -2.178 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 9.293 -11.297 -3.725 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 10.681 -11.067 -2.774 1.00 10.00 H new ATOM 290 N VAL A 38 7.057 -4.077 -1.382 1.00 10.00 N ATOM 291 CA VAL A 38 7.572 -2.723 -1.425 1.00 10.00 C ATOM 292 C VAL A 38 9.065 -2.762 -1.126 1.00 10.00 C ATOM 293 O VAL A 38 9.594 -3.807 -0.753 1.00 10.00 O ATOM 294 CB VAL A 38 6.861 -1.825 -0.382 1.00 10.00 C ATOM 295 CG1 VAL A 38 6.921 -0.358 -0.779 1.00 10.00 C ATOM 296 CG2 VAL A 38 5.416 -2.264 -0.189 1.00 10.00 C ATOM 0 H VAL A 38 6.715 -4.360 -0.464 1.00 10.00 H new ATOM 0 HA VAL A 38 7.389 -2.305 -2.415 1.00 10.00 H new ATOM 0 HB VAL A 38 7.389 -1.938 0.565 1.00 10.00 H new ATOM 0 HG11 VAL A 38 6.413 0.244 -0.026 1.00 10.00 H new ATOM 0 HG12 VAL A 38 7.962 -0.043 -0.853 1.00 10.00 H new ATOM 0 HG13 VAL A 38 6.431 -0.222 -1.743 1.00 10.00 H new ATOM 0 HG21 VAL A 38 4.935 -1.620 0.548 1.00 10.00 H new ATOM 0 HG22 VAL A 38 4.884 -2.191 -1.137 1.00 10.00 H new ATOM 0 HG23 VAL A 38 5.393 -3.296 0.161 1.00 10.00 H new ATOM 306 N LYS A 39 9.752 -1.652 -1.300 1.00 10.00 N ATOM 307 CA LYS A 39 11.174 -1.608 -1.025 1.00 10.00 C ATOM 308 C LYS A 39 11.507 -0.391 -0.172 1.00 10.00 C ATOM 309 O LYS A 39 10.628 0.404 0.150 1.00 10.00 O ATOM 310 CB LYS A 39 11.975 -1.605 -2.324 1.00 10.00 C ATOM 311 CG LYS A 39 11.792 -2.877 -3.140 1.00 10.00 C ATOM 312 CD LYS A 39 12.745 -2.937 -4.319 1.00 10.00 C ATOM 313 CE LYS A 39 12.447 -1.856 -5.339 1.00 10.00 C ATOM 314 NZ LYS A 39 13.266 -2.023 -6.560 1.00 10.00 N ATOM 0 H LYS A 39 9.352 -0.773 -1.629 1.00 10.00 H new ATOM 0 HA LYS A 39 11.450 -2.503 -0.467 1.00 10.00 H new ATOM 0 HB2 LYS A 39 11.676 -0.747 -2.927 1.00 10.00 H new ATOM 0 HB3 LYS A 39 13.032 -1.478 -2.092 1.00 10.00 H new ATOM 0 HG2 LYS A 39 11.952 -3.745 -2.500 1.00 10.00 H new ATOM 0 HG3 LYS A 39 10.765 -2.932 -3.501 1.00 10.00 H new ATOM 0 HD2 LYS A 39 13.770 -2.829 -3.964 1.00 10.00 H new ATOM 0 HD3 LYS A 39 12.674 -3.915 -4.795 1.00 10.00 H new ATOM 0 HE2 LYS A 39 11.390 -1.884 -5.602 1.00 10.00 H new ATOM 0 HE3 LYS A 39 12.641 -0.877 -4.901 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 13.656 -1.102 -6.845 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 14.045 -2.684 -6.368 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 12.673 -2.400 -7.327 1.00 10.00 H new ATOM 328 N MET A 40 12.772 -0.246 0.188 1.00 10.00 N ATOM 329 CA MET A 40 13.198 0.870 1.023 1.00 10.00 C ATOM 330 C MET A 40 13.464 2.123 0.194 1.00 10.00 C ATOM 331 O MET A 40 13.270 3.243 0.666 1.00 10.00 O ATOM 332 CB MET A 40 14.449 0.482 1.815 1.00 10.00 C ATOM 333 CG MET A 40 14.806 1.465 2.919 1.00 10.00 C ATOM 334 SD MET A 40 13.409 1.839 3.998 1.00 10.00 S ATOM 335 CE MET A 40 13.058 0.222 4.686 1.00 10.00 C ATOM 0 H MET A 40 13.521 -0.883 -0.083 1.00 10.00 H new ATOM 0 HA MET A 40 12.389 1.099 1.716 1.00 10.00 H new ATOM 0 HB2 MET A 40 14.298 -0.504 2.254 1.00 10.00 H new ATOM 0 HB3 MET A 40 15.291 0.400 1.128 1.00 10.00 H new ATOM 0 HG2 MET A 40 15.621 1.055 3.516 1.00 10.00 H new ATOM 0 HG3 MET A 40 15.172 2.389 2.472 1.00 10.00 H new ATOM 0 HE1 MET A 40 12.327 0.319 5.488 1.00 10.00 H new ATOM 0 HE2 MET A 40 12.658 -0.426 3.906 1.00 10.00 H new ATOM 0 HE3 MET A 40 13.976 -0.212 5.082 1.00 10.00 H new ATOM 345 N THR A 41 13.899 1.929 -1.042 1.00 10.00 N ATOM 346 CA THR A 41 14.199 3.047 -1.932 1.00 10.00 C ATOM 347 C THR A 41 12.930 3.677 -2.497 1.00 10.00 C ATOM 348 O THR A 41 12.922 4.842 -2.898 1.00 10.00 O ATOM 349 CB THR A 41 15.090 2.598 -3.114 1.00 10.00 C ATOM 350 OG1 THR A 41 15.790 3.725 -3.656 1.00 10.00 O ATOM 351 CG2 THR A 41 14.266 1.928 -4.217 1.00 10.00 C ATOM 0 H THR A 41 14.053 1.009 -1.454 1.00 10.00 H new ATOM 0 HA THR A 41 14.729 3.785 -1.329 1.00 10.00 H new ATOM 0 HB THR A 41 15.804 1.868 -2.732 1.00 10.00 H new ATOM 0 HG1 THR A 41 16.404 3.422 -4.357 1.00 10.00 H new ATOM 0 HG21 THR A 41 14.925 1.626 -5.031 1.00 10.00 H new ATOM 0 HG22 THR A 41 13.763 1.050 -3.813 1.00 10.00 H new ATOM 0 HG23 THR A 41 13.523 2.631 -4.594 1.00 10.00 H new ATOM 359 N THR A 42 11.857 2.908 -2.499 1.00 10.00 N ATOM 360 CA THR A 42 10.607 3.362 -3.065 1.00 10.00 C ATOM 361 C THR A 42 9.820 4.236 -2.098 1.00 10.00 C ATOM 362 O THR A 42 9.660 3.890 -0.924 1.00 10.00 O ATOM 363 CB THR A 42 9.752 2.152 -3.481 1.00 10.00 C ATOM 364 OG1 THR A 42 9.309 1.438 -2.319 1.00 10.00 O ATOM 365 CG2 THR A 42 10.558 1.209 -4.356 1.00 10.00 C ATOM 0 H THR A 42 11.829 1.964 -2.113 1.00 10.00 H new ATOM 0 HA THR A 42 10.847 3.969 -3.938 1.00 10.00 H new ATOM 0 HB THR A 42 8.891 2.520 -4.039 1.00 10.00 H new ATOM 0 HG1 THR A 42 10.075 1.253 -1.737 1.00 10.00 H new ATOM 0 HG21 THR A 42 9.939 0.359 -4.641 1.00 10.00 H new ATOM 0 HG22 THR A 42 10.887 1.736 -5.252 1.00 10.00 H new ATOM 0 HG23 THR A 42 11.428 0.855 -3.804 1.00 10.00 H new ATOM 373 N HIS A 43 9.334 5.365 -2.595 1.00 10.00 N ATOM 374 CA HIS A 43 8.540 6.268 -1.783 1.00 10.00 C ATOM 375 C HIS A 43 7.107 5.753 -1.775 1.00 10.00 C ATOM 376 O HIS A 43 6.689 5.081 -2.717 1.00 10.00 O ATOM 377 CB HIS A 43 8.564 7.699 -2.342 1.00 10.00 C ATOM 378 CG HIS A 43 9.926 8.284 -2.589 1.00 10.00 C ATOM 379 ND1 HIS A 43 10.050 9.515 -3.186 1.00 10.00 N ATOM 380 CD2 HIS A 43 11.172 7.804 -2.312 1.00 10.00 C ATOM 381 CE1 HIS A 43 11.344 9.754 -3.257 1.00 10.00 C ATOM 382 NE2 HIS A 43 12.055 8.752 -2.733 1.00 10.00 N ATOM 0 H HIS A 43 9.477 5.675 -3.556 1.00 10.00 H new ATOM 0 HA HIS A 43 8.955 6.300 -0.776 1.00 10.00 H new ATOM 0 HB2 HIS A 43 8.009 7.711 -3.280 1.00 10.00 H new ATOM 0 HB3 HIS A 43 8.031 8.349 -1.648 1.00 10.00 H new ATOM 0 HD1 HIS A 43 9.295 10.120 -3.508 1.00 10.00 H new ATOM 0 HD2 HIS A 43 11.412 6.858 -1.850 1.00 10.00 H new ATOM 0 HE1 HIS A 43 11.775 10.647 -3.685 1.00 10.00 H new ATOM 390 N LEU A 44 6.340 6.067 -0.741 1.00 10.00 N ATOM 391 CA LEU A 44 4.960 5.593 -0.670 1.00 10.00 C ATOM 392 C LEU A 44 4.045 6.436 -1.552 1.00 10.00 C ATOM 393 O LEU A 44 2.836 6.208 -1.611 1.00 10.00 O ATOM 394 CB LEU A 44 4.457 5.576 0.776 1.00 10.00 C ATOM 395 CG LEU A 44 5.181 4.592 1.699 1.00 10.00 C ATOM 396 CD1 LEU A 44 4.541 4.580 3.079 1.00 10.00 C ATOM 397 CD2 LEU A 44 5.175 3.193 1.100 1.00 10.00 C ATOM 0 H LEU A 44 6.640 6.638 0.049 1.00 10.00 H new ATOM 0 HA LEU A 44 4.941 4.570 -1.045 1.00 10.00 H new ATOM 0 HB2 LEU A 44 4.554 6.579 1.191 1.00 10.00 H new ATOM 0 HB3 LEU A 44 3.394 5.334 0.773 1.00 10.00 H new ATOM 0 HG LEU A 44 6.215 4.920 1.802 1.00 10.00 H new ATOM 0 HD11 LEU A 44 5.070 3.874 3.719 1.00 10.00 H new ATOM 0 HD12 LEU A 44 4.597 5.578 3.515 1.00 10.00 H new ATOM 0 HD13 LEU A 44 3.497 4.279 2.993 1.00 10.00 H new ATOM 0 HD21 LEU A 44 5.694 2.508 1.770 1.00 10.00 H new ATOM 0 HD22 LEU A 44 4.146 2.859 0.966 1.00 10.00 H new ATOM 0 HD23 LEU A 44 5.681 3.208 0.134 1.00 10.00 H new ATOM 409 N LYS A 45 4.634 7.397 -2.250 1.00 10.00 N ATOM 410 CA LYS A 45 3.888 8.270 -3.144 1.00 10.00 C ATOM 411 C LYS A 45 3.350 7.478 -4.336 1.00 10.00 C ATOM 412 O LYS A 45 2.156 7.525 -4.639 1.00 10.00 O ATOM 413 CB LYS A 45 4.786 9.419 -3.622 1.00 10.00 C ATOM 414 CG LYS A 45 4.194 10.245 -4.756 1.00 10.00 C ATOM 415 CD LYS A 45 2.936 10.975 -4.324 1.00 10.00 C ATOM 416 CE LYS A 45 2.054 11.308 -5.513 1.00 10.00 C ATOM 417 NZ LYS A 45 0.766 11.917 -5.095 1.00 10.00 N ATOM 0 H LYS A 45 5.634 7.592 -2.213 1.00 10.00 H new ATOM 0 HA LYS A 45 3.040 8.690 -2.602 1.00 10.00 H new ATOM 0 HB2 LYS A 45 4.994 10.077 -2.779 1.00 10.00 H new ATOM 0 HB3 LYS A 45 5.741 9.007 -3.948 1.00 10.00 H new ATOM 0 HG2 LYS A 45 4.932 10.968 -5.103 1.00 10.00 H new ATOM 0 HG3 LYS A 45 3.965 9.593 -5.599 1.00 10.00 H new ATOM 0 HD2 LYS A 45 2.380 10.358 -3.618 1.00 10.00 H new ATOM 0 HD3 LYS A 45 3.207 11.892 -3.802 1.00 10.00 H new ATOM 0 HE2 LYS A 45 2.582 11.994 -6.175 1.00 10.00 H new ATOM 0 HE3 LYS A 45 1.858 10.401 -6.085 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 0.229 12.207 -5.937 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 0.213 11.222 -4.554 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 0.952 12.749 -4.500 1.00 10.00 H new ATOM 431 N LYS A 46 4.231 6.734 -4.996 1.00 10.00 N ATOM 432 CA LYS A 46 3.837 5.936 -6.151 1.00 10.00 C ATOM 433 C LYS A 46 3.062 4.696 -5.709 1.00 10.00 C ATOM 434 O LYS A 46 2.271 4.139 -6.471 1.00 10.00 O ATOM 435 CB LYS A 46 5.066 5.521 -6.966 1.00 10.00 C ATOM 436 CG LYS A 46 4.717 4.965 -8.341 1.00 10.00 C ATOM 437 CD LYS A 46 5.928 4.368 -9.043 1.00 10.00 C ATOM 438 CE LYS A 46 6.882 5.443 -9.536 1.00 10.00 C ATOM 439 NZ LYS A 46 8.019 4.870 -10.306 1.00 10.00 N ATOM 0 H LYS A 46 5.219 6.667 -4.752 1.00 10.00 H new ATOM 0 HA LYS A 46 3.191 6.548 -6.780 1.00 10.00 H new ATOM 0 HB2 LYS A 46 5.722 6.383 -7.086 1.00 10.00 H new ATOM 0 HB3 LYS A 46 5.626 4.770 -6.409 1.00 10.00 H new ATOM 0 HG2 LYS A 46 3.946 4.201 -8.237 1.00 10.00 H new ATOM 0 HG3 LYS A 46 4.297 5.760 -8.957 1.00 10.00 H new ATOM 0 HD2 LYS A 46 6.453 3.702 -8.358 1.00 10.00 H new ATOM 0 HD3 LYS A 46 5.597 3.762 -9.886 1.00 10.00 H new ATOM 0 HE2 LYS A 46 6.339 6.149 -10.164 1.00 10.00 H new ATOM 0 HE3 LYS A 46 7.267 6.004 -8.684 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 8.819 5.534 -10.289 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 8.309 3.968 -9.878 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 7.725 4.707 -11.290 1.00 10.00 H new ATOM 453 N LEU A 47 3.284 4.278 -4.470 1.00 10.00 N ATOM 454 CA LEU A 47 2.621 3.099 -3.918 1.00 10.00 C ATOM 455 C LEU A 47 1.103 3.244 -3.934 1.00 10.00 C ATOM 456 O LEU A 47 0.388 2.359 -4.406 1.00 10.00 O ATOM 457 CB LEU A 47 3.088 2.848 -2.479 1.00 10.00 C ATOM 458 CG LEU A 47 4.189 1.799 -2.308 1.00 10.00 C ATOM 459 CD1 LEU A 47 3.734 0.454 -2.845 1.00 10.00 C ATOM 460 CD2 LEU A 47 5.472 2.244 -2.993 1.00 10.00 C ATOM 0 H LEU A 47 3.922 4.740 -3.822 1.00 10.00 H new ATOM 0 HA LEU A 47 2.893 2.252 -4.549 1.00 10.00 H new ATOM 0 HB2 LEU A 47 3.443 3.791 -2.063 1.00 10.00 H new ATOM 0 HB3 LEU A 47 2.226 2.542 -1.886 1.00 10.00 H new ATOM 0 HG LEU A 47 4.393 1.692 -1.243 1.00 10.00 H new ATOM 0 HD11 LEU A 47 4.531 -0.278 -2.714 1.00 10.00 H new ATOM 0 HD12 LEU A 47 2.847 0.127 -2.302 1.00 10.00 H new ATOM 0 HD13 LEU A 47 3.497 0.547 -3.905 1.00 10.00 H new ATOM 0 HD21 LEU A 47 6.240 1.482 -2.858 1.00 10.00 H new ATOM 0 HD22 LEU A 47 5.286 2.386 -4.057 1.00 10.00 H new ATOM 0 HD23 LEU A 47 5.811 3.183 -2.555 1.00 10.00 H new ATOM 472 N LYS A 48 0.629 4.377 -3.436 1.00 10.00 N ATOM 473 CA LYS A 48 -0.801 4.649 -3.351 1.00 10.00 C ATOM 474 C LYS A 48 -1.484 4.624 -4.716 1.00 10.00 C ATOM 475 O LYS A 48 -2.461 3.900 -4.912 1.00 10.00 O ATOM 476 CB LYS A 48 -1.034 6.000 -2.674 1.00 10.00 C ATOM 477 CG LYS A 48 -0.490 6.067 -1.255 1.00 10.00 C ATOM 478 CD LYS A 48 -0.760 7.416 -0.610 1.00 10.00 C ATOM 479 CE LYS A 48 -2.246 7.628 -0.353 1.00 10.00 C ATOM 480 NZ LYS A 48 -2.511 8.918 0.332 1.00 10.00 N ATOM 0 H LYS A 48 1.219 5.130 -3.081 1.00 10.00 H new ATOM 0 HA LYS A 48 -1.247 3.853 -2.755 1.00 10.00 H new ATOM 0 HB2 LYS A 48 -0.567 6.783 -3.272 1.00 10.00 H new ATOM 0 HB3 LYS A 48 -2.104 6.209 -2.655 1.00 10.00 H new ATOM 0 HG2 LYS A 48 -0.944 5.279 -0.654 1.00 10.00 H new ATOM 0 HG3 LYS A 48 0.584 5.879 -1.268 1.00 10.00 H new ATOM 0 HD2 LYS A 48 -0.214 7.486 0.331 1.00 10.00 H new ATOM 0 HD3 LYS A 48 -0.385 8.210 -1.256 1.00 10.00 H new ATOM 0 HE2 LYS A 48 -2.785 7.602 -1.300 1.00 10.00 H new ATOM 0 HE3 LYS A 48 -2.630 6.809 0.255 1.00 10.00 H new ATOM 0 HZ1 LYS A 48 -3.475 9.239 0.108 1.00 10.00 H new ATOM 0 HZ2 LYS A 48 -2.419 8.790 1.360 1.00 10.00 H new ATOM 0 HZ3 LYS A 48 -1.825 9.630 0.009 1.00 10.00 H new ATOM 494 N GLU A 49 -0.967 5.401 -5.661 1.00 10.00 N ATOM 495 CA GLU A 49 -1.562 5.478 -6.992 1.00 10.00 C ATOM 496 C GLU A 49 -1.501 4.143 -7.733 1.00 10.00 C ATOM 497 O GLU A 49 -2.460 3.761 -8.400 1.00 10.00 O ATOM 498 CB GLU A 49 -0.891 6.573 -7.822 1.00 10.00 C ATOM 499 CG GLU A 49 0.623 6.503 -7.819 1.00 10.00 C ATOM 500 CD GLU A 49 1.239 7.341 -8.914 1.00 10.00 C ATOM 501 OE1 GLU A 49 1.707 6.767 -9.918 1.00 10.00 O ATOM 502 OE2 GLU A 49 1.255 8.582 -8.777 1.00 10.00 O ATOM 0 H GLU A 49 -0.141 5.985 -5.532 1.00 10.00 H new ATOM 0 HA GLU A 49 -2.614 5.728 -6.854 1.00 10.00 H new ATOM 0 HB2 GLU A 49 -1.246 6.505 -8.850 1.00 10.00 H new ATOM 0 HB3 GLU A 49 -1.201 7.546 -7.441 1.00 10.00 H new ATOM 0 HG2 GLU A 49 0.998 6.840 -6.853 1.00 10.00 H new ATOM 0 HG3 GLU A 49 0.937 5.466 -7.939 1.00 10.00 H new ATOM 509 N SER A 50 -0.391 3.424 -7.602 1.00 10.00 N ATOM 510 CA SER A 50 -0.238 2.141 -8.283 1.00 10.00 C ATOM 511 C SER A 50 -1.272 1.130 -7.796 1.00 10.00 C ATOM 512 O SER A 50 -1.803 0.347 -8.584 1.00 10.00 O ATOM 513 CB SER A 50 1.175 1.599 -8.091 1.00 10.00 C ATOM 514 OG SER A 50 2.133 2.541 -8.546 1.00 10.00 O ATOM 0 H SER A 50 0.410 3.704 -7.036 1.00 10.00 H new ATOM 0 HA SER A 50 -0.406 2.304 -9.348 1.00 10.00 H new ATOM 0 HB2 SER A 50 1.346 1.377 -7.038 1.00 10.00 H new ATOM 0 HB3 SER A 50 1.289 0.662 -8.637 1.00 10.00 H new ATOM 0 HG SER A 50 2.122 3.327 -7.961 1.00 10.00 H new ATOM 520 N TYR A 51 -1.571 1.158 -6.501 1.00 10.00 N ATOM 521 CA TYR A 51 -2.562 0.246 -5.943 1.00 10.00 C ATOM 522 C TYR A 51 -3.939 0.582 -6.503 1.00 10.00 C ATOM 523 O TYR A 51 -4.763 -0.304 -6.739 1.00 10.00 O ATOM 524 CB TYR A 51 -2.577 0.322 -4.416 1.00 10.00 C ATOM 525 CG TYR A 51 -3.313 -0.830 -3.771 1.00 10.00 C ATOM 526 CD1 TYR A 51 -2.681 -2.047 -3.559 1.00 10.00 C ATOM 527 CD2 TYR A 51 -4.640 -0.701 -3.380 1.00 10.00 C ATOM 528 CE1 TYR A 51 -3.349 -3.104 -2.977 1.00 10.00 C ATOM 529 CE2 TYR A 51 -5.315 -1.757 -2.796 1.00 10.00 C ATOM 530 CZ TYR A 51 -4.662 -2.955 -2.595 1.00 10.00 C ATOM 531 OH TYR A 51 -5.327 -4.008 -2.018 1.00 10.00 O ATOM 0 H TYR A 51 -1.147 1.794 -5.826 1.00 10.00 H new ATOM 0 HA TYR A 51 -2.296 -0.773 -6.226 1.00 10.00 H new ATOM 0 HB2 TYR A 51 -1.551 0.340 -4.049 1.00 10.00 H new ATOM 0 HB3 TYR A 51 -3.042 1.259 -4.110 1.00 10.00 H new ATOM 0 HD1 TYR A 51 -1.649 -2.168 -3.855 1.00 10.00 H new ATOM 0 HD2 TYR A 51 -5.152 0.238 -3.534 1.00 10.00 H new ATOM 0 HE1 TYR A 51 -2.843 -4.045 -2.822 1.00 10.00 H new ATOM 0 HE2 TYR A 51 -6.347 -1.644 -2.499 1.00 10.00 H new ATOM 0 HH TYR A 51 -6.245 -3.738 -1.806 1.00 10.00 H new ATOM 541 N CYS A 52 -4.170 1.868 -6.732 1.00 10.00 N ATOM 542 CA CYS A 52 -5.432 2.331 -7.287 1.00 10.00 C ATOM 543 C CYS A 52 -5.600 1.791 -8.705 1.00 10.00 C ATOM 544 O CYS A 52 -6.682 1.346 -9.084 1.00 10.00 O ATOM 545 CB CYS A 52 -5.491 3.860 -7.283 1.00 10.00 C ATOM 546 SG CYS A 52 -5.244 4.599 -5.650 1.00 10.00 S ATOM 0 H CYS A 52 -3.497 2.610 -6.541 1.00 10.00 H new ATOM 0 HA CYS A 52 -6.249 1.959 -6.668 1.00 10.00 H new ATOM 0 HB2 CYS A 52 -4.732 4.245 -7.964 1.00 10.00 H new ATOM 0 HB3 CYS A 52 -6.458 4.178 -7.672 1.00 10.00 H new ATOM 0 HG CYS A 52 -3.978 4.585 -5.354 1.00 10.00 H new ATOM 552 N GLN A 53 -4.511 1.808 -9.473 1.00 10.00 N ATOM 553 CA GLN A 53 -4.527 1.301 -10.844 1.00 10.00 C ATOM 554 C GLN A 53 -4.862 -0.184 -10.843 1.00 10.00 C ATOM 555 O GLN A 53 -5.604 -0.670 -11.696 1.00 10.00 O ATOM 556 CB GLN A 53 -3.170 1.501 -11.520 1.00 10.00 C ATOM 557 CG GLN A 53 -2.589 2.894 -11.362 1.00 10.00 C ATOM 558 CD GLN A 53 -1.106 2.931 -11.682 1.00 10.00 C ATOM 559 OE1 GLN A 53 -0.404 1.932 -11.536 1.00 10.00 O ATOM 560 NE2 GLN A 53 -0.617 4.079 -12.113 1.00 10.00 N ATOM 0 H GLN A 53 -3.606 2.168 -9.168 1.00 10.00 H new ATOM 0 HA GLN A 53 -5.284 1.856 -11.398 1.00 10.00 H new ATOM 0 HB2 GLN A 53 -2.464 0.778 -11.111 1.00 10.00 H new ATOM 0 HB3 GLN A 53 -3.272 1.282 -12.583 1.00 10.00 H new ATOM 0 HG2 GLN A 53 -3.119 3.584 -12.018 1.00 10.00 H new ATOM 0 HG3 GLN A 53 -2.748 3.240 -10.341 1.00 10.00 H new ATOM 0 HE21 GLN A 53 -1.231 4.886 -12.222 1.00 10.00 H new ATOM 0 HE22 GLN A 53 0.375 4.159 -12.338 1.00 10.00 H new ATOM 569 N ARG A 54 -4.302 -0.893 -9.867 1.00 10.00 N ATOM 570 CA ARG A 54 -4.525 -2.326 -9.714 1.00 10.00 C ATOM 571 C ARG A 54 -6.012 -2.626 -9.512 1.00 10.00 C ATOM 572 O ARG A 54 -6.527 -3.617 -10.023 1.00 10.00 O ATOM 573 CB ARG A 54 -3.704 -2.856 -8.529 1.00 10.00 C ATOM 574 CG ARG A 54 -4.027 -4.289 -8.135 1.00 10.00 C ATOM 575 CD ARG A 54 -3.388 -5.294 -9.078 1.00 10.00 C ATOM 576 NE ARG A 54 -3.924 -6.639 -8.874 1.00 10.00 N ATOM 577 CZ ARG A 54 -3.456 -7.735 -9.470 1.00 10.00 C ATOM 578 NH1 ARG A 54 -2.435 -7.654 -10.317 1.00 10.00 N ATOM 579 NH2 ARG A 54 -4.022 -8.911 -9.222 1.00 10.00 N ATOM 0 H ARG A 54 -3.683 -0.491 -9.163 1.00 10.00 H new ATOM 0 HA ARG A 54 -4.201 -2.830 -10.625 1.00 10.00 H new ATOM 0 HB2 ARG A 54 -2.645 -2.790 -8.777 1.00 10.00 H new ATOM 0 HB3 ARG A 54 -3.871 -2.208 -7.668 1.00 10.00 H new ATOM 0 HG2 ARG A 54 -3.679 -4.473 -7.119 1.00 10.00 H new ATOM 0 HG3 ARG A 54 -5.108 -4.430 -8.133 1.00 10.00 H new ATOM 0 HD2 ARG A 54 -3.559 -4.986 -10.109 1.00 10.00 H new ATOM 0 HD3 ARG A 54 -2.309 -5.304 -8.923 1.00 10.00 H new ATOM 0 HE ARG A 54 -4.709 -6.745 -8.232 1.00 10.00 H new ATOM 0 HH11 ARG A 54 -2.006 -6.750 -10.513 1.00 10.00 H new ATOM 0 HH12 ARG A 54 -2.081 -8.496 -10.771 1.00 10.00 H new ATOM 0 HH21 ARG A 54 -4.811 -8.972 -8.578 1.00 10.00 H new ATOM 0 HH22 ARG A 54 -3.668 -9.753 -9.675 1.00 10.00 H new ATOM 593 N GLN A 55 -6.698 -1.755 -8.778 1.00 10.00 N ATOM 594 CA GLN A 55 -8.124 -1.936 -8.518 1.00 10.00 C ATOM 595 C GLN A 55 -8.973 -1.245 -9.586 1.00 10.00 C ATOM 596 O GLN A 55 -10.200 -1.357 -9.584 1.00 10.00 O ATOM 597 CB GLN A 55 -8.490 -1.396 -7.134 1.00 10.00 C ATOM 598 CG GLN A 55 -7.974 -2.249 -5.986 1.00 10.00 C ATOM 599 CD GLN A 55 -8.450 -3.687 -6.064 1.00 10.00 C ATOM 600 OE1 GLN A 55 -7.769 -4.549 -6.622 1.00 10.00 O ATOM 601 NE2 GLN A 55 -9.618 -3.958 -5.506 1.00 10.00 N ATOM 0 H GLN A 55 -6.293 -0.920 -8.354 1.00 10.00 H new ATOM 0 HA GLN A 55 -8.333 -3.005 -8.550 1.00 10.00 H new ATOM 0 HB2 GLN A 55 -8.092 -0.386 -7.031 1.00 10.00 H new ATOM 0 HB3 GLN A 55 -9.575 -1.320 -7.059 1.00 10.00 H new ATOM 0 HG2 GLN A 55 -6.884 -2.231 -5.987 1.00 10.00 H new ATOM 0 HG3 GLN A 55 -8.299 -1.814 -5.041 1.00 10.00 H new ATOM 0 HE21 GLN A 55 -10.152 -3.216 -5.054 1.00 10.00 H new ATOM 0 HE22 GLN A 55 -9.985 -4.909 -5.528 1.00 10.00 H new ATOM 610 N GLY A 56 -8.314 -0.527 -10.489 1.00 10.00 N ATOM 611 CA GLY A 56 -9.020 0.169 -11.552 1.00 10.00 C ATOM 612 C GLY A 56 -9.778 1.384 -11.053 1.00 10.00 C ATOM 613 O GLY A 56 -10.822 1.744 -11.601 1.00 10.00 O ATOM 0 H GLY A 56 -7.300 -0.414 -10.505 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -8.306 0.479 -12.315 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -9.718 -0.519 -12.030 1.00 10.00 H new ATOM 617 N VAL A 57 -9.257 2.016 -10.013 1.00 10.00 N ATOM 618 CA VAL A 57 -9.891 3.195 -9.433 1.00 10.00 C ATOM 619 C VAL A 57 -8.952 4.398 -9.493 1.00 10.00 C ATOM 620 O VAL A 57 -7.731 4.236 -9.527 1.00 10.00 O ATOM 621 CB VAL A 57 -10.321 2.948 -7.968 1.00 10.00 C ATOM 622 CG1 VAL A 57 -11.578 2.094 -7.915 1.00 10.00 C ATOM 623 CG2 VAL A 57 -9.200 2.294 -7.174 1.00 10.00 C ATOM 0 H VAL A 57 -8.393 1.733 -9.550 1.00 10.00 H new ATOM 0 HA VAL A 57 -10.783 3.403 -10.023 1.00 10.00 H new ATOM 0 HB VAL A 57 -10.540 3.915 -7.514 1.00 10.00 H new ATOM 0 HG11 VAL A 57 -11.864 1.932 -6.876 1.00 10.00 H new ATOM 0 HG12 VAL A 57 -12.387 2.604 -8.439 1.00 10.00 H new ATOM 0 HG13 VAL A 57 -11.386 1.133 -8.393 1.00 10.00 H new ATOM 0 HG21 VAL A 57 -9.528 2.131 -6.147 1.00 10.00 H new ATOM 0 HG22 VAL A 57 -8.942 1.337 -7.629 1.00 10.00 H new ATOM 0 HG23 VAL A 57 -8.325 2.944 -7.176 1.00 10.00 H new ATOM 633 N PRO A 58 -9.512 5.621 -9.526 1.00 10.00 N ATOM 634 CA PRO A 58 -8.722 6.856 -9.576 1.00 10.00 C ATOM 635 C PRO A 58 -7.981 7.122 -8.271 1.00 10.00 C ATOM 636 O PRO A 58 -8.077 6.346 -7.322 1.00 10.00 O ATOM 637 CB PRO A 58 -9.775 7.942 -9.816 1.00 10.00 C ATOM 638 CG PRO A 58 -11.038 7.370 -9.284 1.00 10.00 C ATOM 639 CD PRO A 58 -10.961 5.894 -9.536 1.00 10.00 C ATOM 0 HA PRO A 58 -7.949 6.812 -10.343 1.00 10.00 H new ATOM 0 HB2 PRO A 58 -9.513 8.867 -9.303 1.00 10.00 H new ATOM 0 HB3 PRO A 58 -9.864 8.179 -10.876 1.00 10.00 H new ATOM 0 HG2 PRO A 58 -11.143 7.579 -8.219 1.00 10.00 H new ATOM 0 HG3 PRO A 58 -11.904 7.806 -9.782 1.00 10.00 H new ATOM 0 HD2 PRO A 58 -11.482 5.327 -8.765 1.00 10.00 H new ATOM 0 HD3 PRO A 58 -11.414 5.625 -10.490 1.00 10.00 H new ATOM 647 N MET A 59 -7.253 8.227 -8.217 1.00 10.00 N ATOM 648 CA MET A 59 -6.506 8.579 -7.020 1.00 10.00 C ATOM 649 C MET A 59 -7.436 9.186 -5.971 1.00 10.00 C ATOM 650 O MET A 59 -8.411 9.860 -6.313 1.00 10.00 O ATOM 651 CB MET A 59 -5.374 9.551 -7.362 1.00 10.00 C ATOM 652 CG MET A 59 -4.094 9.300 -6.573 1.00 10.00 C ATOM 653 SD MET A 59 -4.183 9.917 -4.883 1.00 10.00 S ATOM 654 CE MET A 59 -2.761 9.109 -4.158 1.00 10.00 C ATOM 0 H MET A 59 -7.164 8.893 -8.985 1.00 10.00 H new ATOM 0 HA MET A 59 -6.066 7.671 -6.607 1.00 10.00 H new ATOM 0 HB2 MET A 59 -5.154 9.479 -8.427 1.00 10.00 H new ATOM 0 HB3 MET A 59 -5.712 10.570 -7.174 1.00 10.00 H new ATOM 0 HG2 MET A 59 -3.889 8.230 -6.554 1.00 10.00 H new ATOM 0 HG3 MET A 59 -3.258 9.776 -7.085 1.00 10.00 H new ATOM 0 HE1 MET A 59 -2.668 9.405 -3.113 1.00 10.00 H new ATOM 0 HE2 MET A 59 -2.886 8.028 -4.219 1.00 10.00 H new ATOM 0 HE3 MET A 59 -1.861 9.401 -4.699 1.00 10.00 H new ATOM 664 N ASN A 60 -7.124 8.921 -4.704 1.00 10.00 N ATOM 665 CA ASN A 60 -7.902 9.406 -3.559 1.00 10.00 C ATOM 666 C ASN A 60 -9.256 8.703 -3.491 1.00 10.00 C ATOM 667 O ASN A 60 -10.264 9.283 -3.088 1.00 10.00 O ATOM 668 CB ASN A 60 -8.086 10.931 -3.588 1.00 10.00 C ATOM 669 CG ASN A 60 -8.189 11.521 -2.192 1.00 10.00 C ATOM 670 OD1 ASN A 60 -7.187 11.921 -1.602 1.00 10.00 O ATOM 671 ND2 ASN A 60 -9.394 11.579 -1.653 1.00 10.00 N ATOM 0 H ASN A 60 -6.316 8.358 -4.438 1.00 10.00 H new ATOM 0 HA ASN A 60 -7.335 9.166 -2.660 1.00 10.00 H new ATOM 0 HB2 ASN A 60 -7.246 11.387 -4.113 1.00 10.00 H new ATOM 0 HB3 ASN A 60 -8.986 11.176 -4.152 1.00 10.00 H new ATOM 0 HD21 ASN A 60 -9.516 11.965 -0.717 1.00 10.00 H new ATOM 0 HD22 ASN A 60 -10.202 11.237 -2.173 1.00 10.00 H new ATOM 678 N SER A 61 -9.265 7.446 -3.900 1.00 10.00 N ATOM 679 CA SER A 61 -10.469 6.636 -3.871 1.00 10.00 C ATOM 680 C SER A 61 -10.420 5.716 -2.660 1.00 10.00 C ATOM 681 O SER A 61 -11.353 5.652 -1.858 1.00 10.00 O ATOM 682 CB SER A 61 -10.576 5.817 -5.156 1.00 10.00 C ATOM 683 OG SER A 61 -9.364 5.127 -5.411 1.00 10.00 O ATOM 0 H SER A 61 -8.443 6.961 -4.259 1.00 10.00 H new ATOM 0 HA SER A 61 -11.345 7.281 -3.799 1.00 10.00 H new ATOM 0 HB2 SER A 61 -11.396 5.104 -5.072 1.00 10.00 H new ATOM 0 HB3 SER A 61 -10.810 6.474 -5.994 1.00 10.00 H new ATOM 0 HG SER A 61 -8.752 5.712 -5.904 1.00 10.00 H new ATOM 689 N LEU A 62 -9.305 5.012 -2.540 1.00 10.00 N ATOM 690 CA LEU A 62 -9.081 4.098 -1.439 1.00 10.00 C ATOM 691 C LEU A 62 -8.013 4.656 -0.512 1.00 10.00 C ATOM 692 O LEU A 62 -7.004 5.202 -0.967 1.00 10.00 O ATOM 693 CB LEU A 62 -8.650 2.726 -1.962 1.00 10.00 C ATOM 694 CG LEU A 62 -9.631 2.048 -2.922 1.00 10.00 C ATOM 695 CD1 LEU A 62 -9.008 0.796 -3.519 1.00 10.00 C ATOM 696 CD2 LEU A 62 -10.931 1.706 -2.209 1.00 10.00 C ATOM 0 H LEU A 62 -8.533 5.061 -3.204 1.00 10.00 H new ATOM 0 HA LEU A 62 -10.013 3.984 -0.886 1.00 10.00 H new ATOM 0 HB2 LEU A 62 -7.690 2.834 -2.468 1.00 10.00 H new ATOM 0 HB3 LEU A 62 -8.488 2.066 -1.110 1.00 10.00 H new ATOM 0 HG LEU A 62 -9.857 2.744 -3.730 1.00 10.00 H new ATOM 0 HD11 LEU A 62 -9.718 0.325 -4.199 1.00 10.00 H new ATOM 0 HD12 LEU A 62 -8.104 1.065 -4.066 1.00 10.00 H new ATOM 0 HD13 LEU A 62 -8.755 0.099 -2.720 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -11.614 1.225 -2.909 1.00 10.00 H new ATOM 0 HD22 LEU A 62 -10.724 1.029 -1.380 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -11.387 2.619 -1.826 1.00 10.00 H new ATOM 708 N ARG A 63 -8.241 4.528 0.779 1.00 10.00 N ATOM 709 CA ARG A 63 -7.302 5.017 1.771 1.00 10.00 C ATOM 710 C ARG A 63 -6.578 3.847 2.423 1.00 10.00 C ATOM 711 O ARG A 63 -7.127 2.750 2.538 1.00 10.00 O ATOM 712 CB ARG A 63 -8.021 5.854 2.835 1.00 10.00 C ATOM 713 CG ARG A 63 -9.215 5.156 3.464 1.00 10.00 C ATOM 714 CD ARG A 63 -9.796 5.969 4.607 1.00 10.00 C ATOM 715 NE ARG A 63 -10.923 5.292 5.247 1.00 10.00 N ATOM 716 CZ ARG A 63 -12.167 5.769 5.276 1.00 10.00 C ATOM 717 NH1 ARG A 63 -12.458 6.937 4.707 1.00 10.00 N ATOM 718 NH2 ARG A 63 -13.125 5.070 5.872 1.00 10.00 N ATOM 0 H ARG A 63 -9.074 4.087 1.169 1.00 10.00 H new ATOM 0 HA ARG A 63 -6.572 5.654 1.271 1.00 10.00 H new ATOM 0 HB2 ARG A 63 -7.310 6.115 3.619 1.00 10.00 H new ATOM 0 HB3 ARG A 63 -8.355 6.788 2.384 1.00 10.00 H new ATOM 0 HG2 ARG A 63 -9.982 4.991 2.707 1.00 10.00 H new ATOM 0 HG3 ARG A 63 -8.913 4.175 3.831 1.00 10.00 H new ATOM 0 HD2 ARG A 63 -9.019 6.158 5.348 1.00 10.00 H new ATOM 0 HD3 ARG A 63 -10.122 6.939 4.232 1.00 10.00 H new ATOM 0 HE ARG A 63 -10.745 4.396 5.701 1.00 10.00 H new ATOM 0 HH11 ARG A 63 -11.726 7.475 4.244 1.00 10.00 H new ATOM 0 HH12 ARG A 63 -13.413 7.294 4.734 1.00 10.00 H new ATOM 0 HH21 ARG A 63 -12.907 4.172 6.305 1.00 10.00 H new ATOM 0 HH22 ARG A 63 -14.079 5.430 5.897 1.00 10.00 H new ATOM 732 N PHE A 64 -5.344 4.083 2.838 1.00 10.00 N ATOM 733 CA PHE A 64 -4.543 3.052 3.476 1.00 10.00 C ATOM 734 C PHE A 64 -4.321 3.408 4.937 1.00 10.00 C ATOM 735 O PHE A 64 -3.818 4.487 5.248 1.00 10.00 O ATOM 736 CB PHE A 64 -3.204 2.894 2.749 1.00 10.00 C ATOM 737 CG PHE A 64 -3.353 2.741 1.262 1.00 10.00 C ATOM 738 CD1 PHE A 64 -3.262 3.842 0.428 1.00 10.00 C ATOM 739 CD2 PHE A 64 -3.594 1.500 0.700 1.00 10.00 C ATOM 740 CE1 PHE A 64 -3.406 3.708 -0.939 1.00 10.00 C ATOM 741 CE2 PHE A 64 -3.739 1.360 -0.666 1.00 10.00 C ATOM 742 CZ PHE A 64 -3.645 2.467 -1.486 1.00 10.00 C ATOM 0 H PHE A 64 -4.874 4.983 2.744 1.00 10.00 H new ATOM 0 HA PHE A 64 -5.073 2.101 3.422 1.00 10.00 H new ATOM 0 HB2 PHE A 64 -2.580 3.763 2.958 1.00 10.00 H new ATOM 0 HB3 PHE A 64 -2.682 2.024 3.147 1.00 10.00 H new ATOM 0 HD1 PHE A 64 -3.076 4.818 0.852 1.00 10.00 H new ATOM 0 HD2 PHE A 64 -3.670 0.631 1.337 1.00 10.00 H new ATOM 0 HE1 PHE A 64 -3.331 4.575 -1.578 1.00 10.00 H new ATOM 0 HE2 PHE A 64 -3.926 0.386 -1.093 1.00 10.00 H new ATOM 0 HZ PHE A 64 -3.759 2.360 -2.555 1.00 10.00 H new ATOM 752 N LEU A 65 -4.710 2.510 5.827 1.00 10.00 N ATOM 753 CA LEU A 65 -4.571 2.743 7.254 1.00 10.00 C ATOM 754 C LEU A 65 -3.564 1.788 7.876 1.00 10.00 C ATOM 755 O LEU A 65 -3.675 0.566 7.734 1.00 10.00 O ATOM 756 CB LEU A 65 -5.926 2.598 7.952 1.00 10.00 C ATOM 757 CG LEU A 65 -6.774 3.870 8.008 1.00 10.00 C ATOM 758 CD1 LEU A 65 -8.199 3.541 8.417 1.00 10.00 C ATOM 759 CD2 LEU A 65 -6.168 4.873 8.976 1.00 10.00 C ATOM 0 H LEU A 65 -5.126 1.611 5.585 1.00 10.00 H new ATOM 0 HA LEU A 65 -4.204 3.760 7.389 1.00 10.00 H new ATOM 0 HB2 LEU A 65 -6.497 1.823 7.442 1.00 10.00 H new ATOM 0 HB3 LEU A 65 -5.756 2.250 8.971 1.00 10.00 H new ATOM 0 HG LEU A 65 -6.791 4.314 7.013 1.00 10.00 H new ATOM 0 HD11 LEU A 65 -8.788 4.457 8.452 1.00 10.00 H new ATOM 0 HD12 LEU A 65 -8.637 2.855 7.691 1.00 10.00 H new ATOM 0 HD13 LEU A 65 -8.196 3.074 9.402 1.00 10.00 H new ATOM 0 HD21 LEU A 65 -6.785 5.771 9.003 1.00 10.00 H new ATOM 0 HD22 LEU A 65 -6.122 4.435 9.973 1.00 10.00 H new ATOM 0 HD23 LEU A 65 -5.162 5.133 8.648 1.00 10.00 H new ATOM 771 N PHE A 66 -2.579 2.359 8.548 1.00 10.00 N ATOM 772 CA PHE A 66 -1.545 1.590 9.216 1.00 10.00 C ATOM 773 C PHE A 66 -1.490 1.986 10.688 1.00 10.00 C ATOM 774 O PHE A 66 -0.961 3.045 11.031 1.00 10.00 O ATOM 775 CB PHE A 66 -0.192 1.830 8.544 1.00 10.00 C ATOM 776 CG PHE A 66 0.891 0.891 9.000 1.00 10.00 C ATOM 777 CD1 PHE A 66 0.852 -0.451 8.654 1.00 10.00 C ATOM 778 CD2 PHE A 66 1.952 1.354 9.766 1.00 10.00 C ATOM 779 CE1 PHE A 66 1.849 -1.314 9.067 1.00 10.00 C ATOM 780 CE2 PHE A 66 2.949 0.495 10.181 1.00 10.00 C ATOM 781 CZ PHE A 66 2.899 -0.841 9.830 1.00 10.00 C ATOM 0 H PHE A 66 -2.474 3.369 8.645 1.00 10.00 H new ATOM 0 HA PHE A 66 -1.779 0.528 9.142 1.00 10.00 H new ATOM 0 HB2 PHE A 66 -0.311 1.734 7.465 1.00 10.00 H new ATOM 0 HB3 PHE A 66 0.123 2.855 8.740 1.00 10.00 H new ATOM 0 HD1 PHE A 66 0.034 -0.826 8.056 1.00 10.00 H new ATOM 0 HD2 PHE A 66 1.998 2.398 10.040 1.00 10.00 H new ATOM 0 HE1 PHE A 66 1.807 -2.358 8.793 1.00 10.00 H new ATOM 0 HE2 PHE A 66 3.768 0.866 10.780 1.00 10.00 H new ATOM 0 HZ PHE A 66 3.680 -1.514 10.152 1.00 10.00 H new ATOM 791 N GLU A 67 -2.077 1.149 11.539 1.00 10.00 N ATOM 792 CA GLU A 67 -2.117 1.389 12.982 1.00 10.00 C ATOM 793 C GLU A 67 -2.804 2.718 13.301 1.00 10.00 C ATOM 794 O GLU A 67 -2.323 3.506 14.117 1.00 10.00 O ATOM 795 CB GLU A 67 -0.707 1.353 13.581 1.00 10.00 C ATOM 796 CG GLU A 67 -0.053 -0.020 13.514 1.00 10.00 C ATOM 797 CD GLU A 67 -0.850 -1.081 14.243 1.00 10.00 C ATOM 798 OE1 GLU A 67 -1.796 -1.634 13.646 1.00 10.00 O ATOM 799 OE2 GLU A 67 -0.534 -1.368 15.416 1.00 10.00 O ATOM 0 H GLU A 67 -2.538 0.286 11.250 1.00 10.00 H new ATOM 0 HA GLU A 67 -2.702 0.589 13.436 1.00 10.00 H new ATOM 0 HB2 GLU A 67 -0.079 2.072 13.055 1.00 10.00 H new ATOM 0 HB3 GLU A 67 -0.755 1.673 14.622 1.00 10.00 H new ATOM 0 HG2 GLU A 67 0.064 -0.312 12.470 1.00 10.00 H new ATOM 0 HG3 GLU A 67 0.947 0.037 13.943 1.00 10.00 H new ATOM 806 N GLY A 68 -3.926 2.966 12.636 1.00 10.00 N ATOM 807 CA GLY A 68 -4.673 4.190 12.865 1.00 10.00 C ATOM 808 C GLY A 68 -4.095 5.389 12.135 1.00 10.00 C ATOM 809 O GLY A 68 -4.603 6.502 12.265 1.00 10.00 O ATOM 0 H GLY A 68 -4.333 2.340 11.941 1.00 10.00 H new ATOM 0 HA2 GLY A 68 -5.705 4.043 12.548 1.00 10.00 H new ATOM 0 HA3 GLY A 68 -4.695 4.400 13.934 1.00 10.00 H new ATOM 813 N GLN A 69 -3.032 5.171 11.379 1.00 10.00 N ATOM 814 CA GLN A 69 -2.397 6.243 10.629 1.00 10.00 C ATOM 815 C GLN A 69 -2.673 6.086 9.143 1.00 10.00 C ATOM 816 O GLN A 69 -2.301 5.080 8.540 1.00 10.00 O ATOM 817 CB GLN A 69 -0.888 6.242 10.874 1.00 10.00 C ATOM 818 CG GLN A 69 -0.486 6.756 12.245 1.00 10.00 C ATOM 819 CD GLN A 69 -0.473 8.268 12.320 1.00 10.00 C ATOM 820 OE1 GLN A 69 -0.203 8.950 11.330 1.00 10.00 O ATOM 821 NE2 GLN A 69 -0.769 8.802 13.492 1.00 10.00 N ATOM 0 H GLN A 69 -2.589 4.259 11.268 1.00 10.00 H new ATOM 0 HA GLN A 69 -2.813 7.191 10.969 1.00 10.00 H new ATOM 0 HB2 GLN A 69 -0.511 5.226 10.753 1.00 10.00 H new ATOM 0 HB3 GLN A 69 -0.406 6.854 10.112 1.00 10.00 H new ATOM 0 HG2 GLN A 69 -1.177 6.365 12.992 1.00 10.00 H new ATOM 0 HG3 GLN A 69 0.504 6.375 12.496 1.00 10.00 H new ATOM 0 HE21 GLN A 69 -0.987 8.200 14.286 1.00 10.00 H new ATOM 0 HE22 GLN A 69 -0.780 9.816 13.602 1.00 10.00 H new ATOM 830 N ARG A 70 -3.348 7.063 8.559 1.00 10.00 N ATOM 831 CA ARG A 70 -3.645 7.015 7.137 1.00 10.00 C ATOM 832 C ARG A 70 -2.416 7.431 6.339 1.00 10.00 C ATOM 833 O ARG A 70 -1.920 8.554 6.473 1.00 10.00 O ATOM 834 CB ARG A 70 -4.859 7.881 6.781 1.00 10.00 C ATOM 835 CG ARG A 70 -4.876 9.251 7.436 1.00 10.00 C ATOM 836 CD ARG A 70 -6.075 10.070 6.968 1.00 10.00 C ATOM 837 NE ARG A 70 -6.076 10.244 5.513 1.00 10.00 N ATOM 838 CZ ARG A 70 -7.133 10.016 4.728 1.00 10.00 C ATOM 839 NH1 ARG A 70 -8.280 9.586 5.244 1.00 10.00 N ATOM 840 NH2 ARG A 70 -7.038 10.197 3.419 1.00 10.00 N ATOM 0 H ARG A 70 -3.697 7.891 9.042 1.00 10.00 H new ATOM 0 HA ARG A 70 -3.903 5.989 6.875 1.00 10.00 H new ATOM 0 HB2 ARG A 70 -4.891 8.010 5.699 1.00 10.00 H new ATOM 0 HB3 ARG A 70 -5.765 7.346 7.065 1.00 10.00 H new ATOM 0 HG2 ARG A 70 -4.909 9.139 8.520 1.00 10.00 H new ATOM 0 HG3 ARG A 70 -3.954 9.782 7.199 1.00 10.00 H new ATOM 0 HD2 ARG A 70 -6.996 9.576 7.276 1.00 10.00 H new ATOM 0 HD3 ARG A 70 -6.060 11.047 7.452 1.00 10.00 H new ATOM 0 HE ARG A 70 -5.213 10.560 5.070 1.00 10.00 H new ATOM 0 HH11 ARG A 70 -8.360 9.427 6.248 1.00 10.00 H new ATOM 0 HH12 ARG A 70 -9.081 9.415 4.636 1.00 10.00 H new ATOM 0 HH21 ARG A 70 -6.158 10.510 3.010 1.00 10.00 H new ATOM 0 HH22 ARG A 70 -7.845 10.023 2.820 1.00 10.00 H new ATOM 854 N ILE A 71 -1.930 6.504 5.525 1.00 10.00 N ATOM 855 CA ILE A 71 -0.740 6.715 4.706 1.00 10.00 C ATOM 856 C ILE A 71 -0.861 7.955 3.826 1.00 10.00 C ATOM 857 O ILE A 71 -1.776 8.071 3.005 1.00 10.00 O ATOM 858 CB ILE A 71 -0.451 5.487 3.814 1.00 10.00 C ATOM 859 CG1 ILE A 71 -0.382 4.212 4.662 1.00 10.00 C ATOM 860 CG2 ILE A 71 0.844 5.681 3.034 1.00 10.00 C ATOM 861 CD1 ILE A 71 0.644 4.268 5.774 1.00 10.00 C ATOM 0 H ILE A 71 -2.350 5.581 5.412 1.00 10.00 H new ATOM 0 HA ILE A 71 0.087 6.863 5.400 1.00 10.00 H new ATOM 0 HB ILE A 71 -1.268 5.383 3.100 1.00 10.00 H new ATOM 0 HG12 ILE A 71 -1.364 4.023 5.096 1.00 10.00 H new ATOM 0 HG13 ILE A 71 -0.153 3.367 4.012 1.00 10.00 H new ATOM 0 HG21 ILE A 71 1.029 4.805 2.412 1.00 10.00 H new ATOM 0 HG22 ILE A 71 0.758 6.564 2.401 1.00 10.00 H new ATOM 0 HG23 ILE A 71 1.672 5.813 3.731 1.00 10.00 H new ATOM 0 HD11 ILE A 71 0.632 3.329 6.328 1.00 10.00 H new ATOM 0 HD12 ILE A 71 1.635 4.425 5.347 1.00 10.00 H new ATOM 0 HD13 ILE A 71 0.405 5.090 6.448 1.00 10.00 H new ATOM 873 N ALA A 72 0.074 8.873 4.005 1.00 10.00 N ATOM 874 CA ALA A 72 0.099 10.104 3.238 1.00 10.00 C ATOM 875 C ALA A 72 0.907 9.910 1.962 1.00 10.00 C ATOM 876 O ALA A 72 1.604 8.907 1.805 1.00 10.00 O ATOM 877 CB ALA A 72 0.677 11.230 4.076 1.00 10.00 C ATOM 0 H ALA A 72 0.832 8.786 4.682 1.00 10.00 H new ATOM 0 HA ALA A 72 -0.921 10.371 2.961 1.00 10.00 H new ATOM 0 HB1 ALA A 72 0.691 12.149 3.490 1.00 10.00 H new ATOM 0 HB2 ALA A 72 0.062 11.375 4.964 1.00 10.00 H new ATOM 0 HB3 ALA A 72 1.694 10.975 4.376 1.00 10.00 H new ATOM 883 N ASP A 73 0.831 10.881 1.065 1.00 10.00 N ATOM 884 CA ASP A 73 1.542 10.806 -0.206 1.00 10.00 C ATOM 885 C ASP A 73 2.997 11.236 -0.056 1.00 10.00 C ATOM 886 O ASP A 73 3.727 11.336 -1.041 1.00 10.00 O ATOM 887 CB ASP A 73 0.843 11.671 -1.257 1.00 10.00 C ATOM 888 CG ASP A 73 -0.350 10.973 -1.882 1.00 10.00 C ATOM 889 OD1 ASP A 73 -1.365 10.776 -1.177 1.00 10.00 O ATOM 890 OD2 ASP A 73 -0.276 10.624 -3.079 1.00 10.00 O ATOM 0 H ASP A 73 0.284 11.732 1.192 1.00 10.00 H new ATOM 0 HA ASP A 73 1.530 9.766 -0.533 1.00 10.00 H new ATOM 0 HB2 ASP A 73 0.515 12.603 -0.796 1.00 10.00 H new ATOM 0 HB3 ASP A 73 1.556 11.935 -2.038 1.00 10.00 H new ATOM 895 N ASN A 74 3.411 11.507 1.173 1.00 10.00 N ATOM 896 CA ASN A 74 4.787 11.912 1.442 1.00 10.00 C ATOM 897 C ASN A 74 5.433 10.986 2.469 1.00 10.00 C ATOM 898 O ASN A 74 6.528 11.256 2.965 1.00 10.00 O ATOM 899 CB ASN A 74 4.843 13.362 1.940 1.00 10.00 C ATOM 900 CG ASN A 74 4.359 13.512 3.372 1.00 10.00 C ATOM 901 OD1 ASN A 74 3.271 13.055 3.727 1.00 10.00 O ATOM 902 ND2 ASN A 74 5.168 14.143 4.207 1.00 10.00 N ATOM 0 H ASN A 74 2.816 11.455 2.000 1.00 10.00 H new ATOM 0 HA ASN A 74 5.343 11.842 0.507 1.00 10.00 H new ATOM 0 HB2 ASN A 74 5.868 13.727 1.868 1.00 10.00 H new ATOM 0 HB3 ASN A 74 4.235 13.989 1.288 1.00 10.00 H new ATOM 0 HD21 ASN A 74 4.899 14.265 5.183 1.00 10.00 H new ATOM 0 HD22 ASN A 74 6.061 14.507 3.875 1.00 10.00 H new ATOM 909 N HIS A 75 4.758 9.886 2.774 1.00 10.00 N ATOM 910 CA HIS A 75 5.266 8.926 3.746 1.00 10.00 C ATOM 911 C HIS A 75 6.282 7.985 3.107 1.00 10.00 C ATOM 912 O HIS A 75 6.286 7.789 1.890 1.00 10.00 O ATOM 913 CB HIS A 75 4.115 8.113 4.346 1.00 10.00 C ATOM 914 CG HIS A 75 3.389 8.813 5.457 1.00 10.00 C ATOM 915 ND1 HIS A 75 2.184 8.348 5.934 1.00 10.00 N ATOM 916 CD2 HIS A 75 3.745 9.915 6.161 1.00 10.00 C ATOM 917 CE1 HIS A 75 1.841 9.170 6.913 1.00 10.00 C ATOM 918 NE2 HIS A 75 2.756 10.130 7.083 1.00 10.00 N ATOM 0 H HIS A 75 3.858 9.636 2.363 1.00 10.00 H new ATOM 0 HA HIS A 75 5.762 9.485 4.539 1.00 10.00 H new ATOM 0 HB2 HIS A 75 3.404 7.872 3.556 1.00 10.00 H new ATOM 0 HB3 HIS A 75 4.508 7.168 4.721 1.00 10.00 H new ATOM 0 HD2 HIS A 75 4.636 10.509 6.022 1.00 10.00 H new ATOM 0 HE1 HIS A 75 0.939 9.077 7.499 1.00 10.00 H new ATOM 0 HE2 HIS A 75 2.723 10.882 7.771 1.00 10.00 H new ATOM 926 N THR A 76 7.151 7.416 3.929 1.00 10.00 N ATOM 927 CA THR A 76 8.159 6.484 3.452 1.00 10.00 C ATOM 928 C THR A 76 8.174 5.232 4.331 1.00 10.00 C ATOM 929 O THR A 76 7.762 5.287 5.486 1.00 10.00 O ATOM 930 CB THR A 76 9.562 7.127 3.432 1.00 10.00 C ATOM 931 OG1 THR A 76 9.792 7.879 4.634 1.00 10.00 O ATOM 932 CG2 THR A 76 9.725 8.037 2.224 1.00 10.00 C ATOM 0 H THR A 76 7.177 7.585 4.935 1.00 10.00 H new ATOM 0 HA THR A 76 7.900 6.209 2.430 1.00 10.00 H new ATOM 0 HB THR A 76 10.294 6.322 3.368 1.00 10.00 H new ATOM 0 HG1 THR A 76 8.937 8.208 4.983 1.00 10.00 H new ATOM 0 HG21 THR A 76 10.722 8.478 2.233 1.00 10.00 H new ATOM 0 HG22 THR A 76 9.593 7.457 1.311 1.00 10.00 H new ATOM 0 HG23 THR A 76 8.977 8.829 2.262 1.00 10.00 H new ATOM 940 N PRO A 77 8.645 4.087 3.802 1.00 10.00 N ATOM 941 CA PRO A 77 8.704 2.828 4.562 1.00 10.00 C ATOM 942 C PRO A 77 9.715 2.880 5.711 1.00 10.00 C ATOM 943 O PRO A 77 9.754 1.992 6.561 1.00 10.00 O ATOM 944 CB PRO A 77 9.138 1.787 3.518 1.00 10.00 C ATOM 945 CG PRO A 77 8.948 2.444 2.194 1.00 10.00 C ATOM 946 CD PRO A 77 9.137 3.913 2.428 1.00 10.00 C ATOM 0 HA PRO A 77 7.748 2.603 5.034 1.00 10.00 H new ATOM 0 HB2 PRO A 77 10.178 1.495 3.665 1.00 10.00 H new ATOM 0 HB3 PRO A 77 8.538 0.880 3.595 1.00 10.00 H new ATOM 0 HG2 PRO A 77 9.668 2.069 1.466 1.00 10.00 H new ATOM 0 HG3 PRO A 77 7.955 2.237 1.795 1.00 10.00 H new ATOM 0 HD2 PRO A 77 10.182 4.207 2.332 1.00 10.00 H new ATOM 0 HD3 PRO A 77 8.570 4.513 1.716 1.00 10.00 H new ATOM 954 N LYS A 78 10.528 3.931 5.722 1.00 10.00 N ATOM 955 CA LYS A 78 11.540 4.119 6.752 1.00 10.00 C ATOM 956 C LYS A 78 10.906 4.673 8.029 1.00 10.00 C ATOM 957 O LYS A 78 11.495 4.609 9.108 1.00 10.00 O ATOM 958 CB LYS A 78 12.629 5.070 6.239 1.00 10.00 C ATOM 959 CG LYS A 78 13.819 5.219 7.176 1.00 10.00 C ATOM 960 CD LYS A 78 14.766 4.032 7.092 1.00 10.00 C ATOM 961 CE LYS A 78 15.483 3.978 5.753 1.00 10.00 C ATOM 962 NZ LYS A 78 16.827 3.353 5.864 1.00 10.00 N ATOM 0 H LYS A 78 10.504 4.672 5.021 1.00 10.00 H new ATOM 0 HA LYS A 78 11.992 3.155 6.986 1.00 10.00 H new ATOM 0 HB2 LYS A 78 12.984 4.710 5.273 1.00 10.00 H new ATOM 0 HB3 LYS A 78 12.188 6.052 6.071 1.00 10.00 H new ATOM 0 HG2 LYS A 78 14.361 6.132 6.931 1.00 10.00 H new ATOM 0 HG3 LYS A 78 13.462 5.326 8.200 1.00 10.00 H new ATOM 0 HD2 LYS A 78 15.500 4.095 7.895 1.00 10.00 H new ATOM 0 HD3 LYS A 78 14.206 3.109 7.243 1.00 10.00 H new ATOM 0 HE2 LYS A 78 14.879 3.415 5.041 1.00 10.00 H new ATOM 0 HE3 LYS A 78 15.585 4.988 5.356 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 17.281 3.337 4.928 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 17.413 3.904 6.523 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 16.729 2.380 6.218 1.00 10.00 H new ATOM 976 N GLU A 79 9.701 5.216 7.899 1.00 10.00 N ATOM 977 CA GLU A 79 8.986 5.771 9.040 1.00 10.00 C ATOM 978 C GLU A 79 7.767 4.915 9.348 1.00 10.00 C ATOM 979 O GLU A 79 7.519 3.925 8.653 1.00 10.00 O ATOM 980 CB GLU A 79 8.567 7.215 8.759 1.00 10.00 C ATOM 981 CG GLU A 79 7.479 7.343 7.706 1.00 10.00 C ATOM 982 CD GLU A 79 7.313 8.757 7.202 1.00 10.00 C ATOM 983 OE1 GLU A 79 6.555 9.528 7.819 1.00 10.00 O ATOM 984 OE2 GLU A 79 7.946 9.099 6.179 1.00 10.00 O ATOM 0 H GLU A 79 9.199 5.283 7.014 1.00 10.00 H new ATOM 0 HA GLU A 79 9.648 5.771 9.906 1.00 10.00 H new ATOM 0 HB2 GLU A 79 8.218 7.669 9.686 1.00 10.00 H new ATOM 0 HB3 GLU A 79 9.441 7.781 8.436 1.00 10.00 H new ATOM 0 HG2 GLU A 79 7.714 6.689 6.867 1.00 10.00 H new ATOM 0 HG3 GLU A 79 6.533 6.998 8.124 1.00 10.00 H new ATOM 991 N LEU A 80 7.023 5.291 10.394 1.00 10.00 N ATOM 992 CA LEU A 80 5.813 4.574 10.823 1.00 10.00 C ATOM 993 C LEU A 80 6.159 3.233 11.468 1.00 10.00 C ATOM 994 O LEU A 80 5.677 2.915 12.555 1.00 10.00 O ATOM 995 CB LEU A 80 4.844 4.358 9.652 1.00 10.00 C ATOM 996 CG LEU A 80 4.192 5.626 9.097 1.00 10.00 C ATOM 997 CD1 LEU A 80 3.760 5.411 7.655 1.00 10.00 C ATOM 998 CD2 LEU A 80 3.002 6.030 9.952 1.00 10.00 C ATOM 0 H LEU A 80 7.242 6.104 10.970 1.00 10.00 H new ATOM 0 HA LEU A 80 5.320 5.199 11.568 1.00 10.00 H new ATOM 0 HB2 LEU A 80 5.382 3.863 8.844 1.00 10.00 H new ATOM 0 HB3 LEU A 80 4.057 3.677 9.975 1.00 10.00 H new ATOM 0 HG LEU A 80 4.925 6.432 9.123 1.00 10.00 H new ATOM 0 HD11 LEU A 80 3.298 6.322 7.274 1.00 10.00 H new ATOM 0 HD12 LEU A 80 4.631 5.164 7.047 1.00 10.00 H new ATOM 0 HD13 LEU A 80 3.041 4.593 7.609 1.00 10.00 H new ATOM 0 HD21 LEU A 80 2.550 6.934 9.543 1.00 10.00 H new ATOM 0 HD22 LEU A 80 2.266 5.226 9.955 1.00 10.00 H new ATOM 0 HD23 LEU A 80 3.335 6.221 10.972 1.00 10.00 H new ATOM 1010 N GLY A 81 7.001 2.459 10.800 1.00 10.00 N ATOM 1011 CA GLY A 81 7.396 1.167 11.310 1.00 10.00 C ATOM 1012 C GLY A 81 6.841 0.044 10.467 1.00 10.00 C ATOM 1013 O GLY A 81 6.106 -0.808 10.964 1.00 10.00 O ATOM 0 H GLY A 81 7.421 2.708 9.904 1.00 10.00 H new ATOM 0 HA2 GLY A 81 8.484 1.102 11.334 1.00 10.00 H new ATOM 0 HA3 GLY A 81 7.047 1.058 12.337 1.00 10.00 H new ATOM 1017 N MET A 82 7.186 0.047 9.187 1.00 10.00 N ATOM 1018 CA MET A 82 6.715 -0.979 8.265 1.00 10.00 C ATOM 1019 C MET A 82 7.755 -2.076 8.098 1.00 10.00 C ATOM 1020 O MET A 82 8.873 -1.819 7.649 1.00 10.00 O ATOM 1021 CB MET A 82 6.394 -0.367 6.899 1.00 10.00 C ATOM 1022 CG MET A 82 5.021 0.275 6.820 1.00 10.00 C ATOM 1023 SD MET A 82 4.600 0.806 5.148 1.00 10.00 S ATOM 1024 CE MET A 82 2.911 1.351 5.383 1.00 10.00 C ATOM 0 H MET A 82 7.791 0.749 8.762 1.00 10.00 H new ATOM 0 HA MET A 82 5.808 -1.414 8.685 1.00 10.00 H new ATOM 0 HB2 MET A 82 7.149 0.382 6.661 1.00 10.00 H new ATOM 0 HB3 MET A 82 6.465 -1.144 6.138 1.00 10.00 H new ATOM 0 HG2 MET A 82 4.272 -0.434 7.172 1.00 10.00 H new ATOM 0 HG3 MET A 82 4.986 1.134 7.490 1.00 10.00 H new ATOM 0 HE1 MET A 82 2.509 1.710 4.435 1.00 10.00 H new ATOM 0 HE2 MET A 82 2.306 0.518 5.741 1.00 10.00 H new ATOM 0 HE3 MET A 82 2.888 2.158 6.116 1.00 10.00 H new ATOM 1034 N GLU A 83 7.389 -3.294 8.463 1.00 10.00 N ATOM 1035 CA GLU A 83 8.290 -4.429 8.349 1.00 10.00 C ATOM 1036 C GLU A 83 7.704 -5.498 7.438 1.00 10.00 C ATOM 1037 O GLU A 83 6.598 -5.351 6.917 1.00 10.00 O ATOM 1038 CB GLU A 83 8.571 -5.023 9.729 1.00 10.00 C ATOM 1039 CG GLU A 83 9.615 -4.257 10.516 1.00 10.00 C ATOM 1040 CD GLU A 83 10.992 -4.350 9.895 1.00 10.00 C ATOM 1041 OE1 GLU A 83 11.603 -5.437 9.948 1.00 10.00 O ATOM 1042 OE2 GLU A 83 11.479 -3.332 9.362 1.00 10.00 O ATOM 0 H GLU A 83 6.470 -3.522 8.842 1.00 10.00 H new ATOM 0 HA GLU A 83 9.225 -4.076 7.913 1.00 10.00 H new ATOM 0 HB2 GLU A 83 7.643 -5.049 10.300 1.00 10.00 H new ATOM 0 HB3 GLU A 83 8.901 -6.055 9.611 1.00 10.00 H new ATOM 0 HG2 GLU A 83 9.320 -3.210 10.582 1.00 10.00 H new ATOM 0 HG3 GLU A 83 9.653 -4.642 11.535 1.00 10.00 H new ATOM 1049 N GLU A 84 8.460 -6.564 7.243 1.00 10.00 N ATOM 1050 CA GLU A 84 8.034 -7.674 6.406 1.00 10.00 C ATOM 1051 C GLU A 84 6.865 -8.409 7.055 1.00 10.00 C ATOM 1052 O GLU A 84 6.836 -8.571 8.277 1.00 10.00 O ATOM 1053 CB GLU A 84 9.212 -8.627 6.196 1.00 10.00 C ATOM 1054 CG GLU A 84 8.855 -9.939 5.510 1.00 10.00 C ATOM 1055 CD GLU A 84 8.717 -9.805 4.008 1.00 10.00 C ATOM 1056 OE1 GLU A 84 9.353 -8.903 3.424 1.00 10.00 O ATOM 1057 OE2 GLU A 84 7.983 -10.614 3.402 1.00 10.00 O ATOM 0 H GLU A 84 9.384 -6.685 7.658 1.00 10.00 H new ATOM 0 HA GLU A 84 7.702 -7.292 5.440 1.00 10.00 H new ATOM 0 HB2 GLU A 84 9.972 -8.118 5.603 1.00 10.00 H new ATOM 0 HB3 GLU A 84 9.659 -8.849 7.165 1.00 10.00 H new ATOM 0 HG2 GLU A 84 9.623 -10.680 5.734 1.00 10.00 H new ATOM 0 HG3 GLU A 84 7.919 -10.315 5.923 1.00 10.00 H new ATOM 1064 N GLU A 85 5.898 -8.822 6.231 1.00 10.00 N ATOM 1065 CA GLU A 85 4.720 -9.562 6.692 1.00 10.00 C ATOM 1066 C GLU A 85 3.751 -8.680 7.478 1.00 10.00 C ATOM 1067 O GLU A 85 2.865 -9.187 8.171 1.00 10.00 O ATOM 1068 CB GLU A 85 5.132 -10.770 7.542 1.00 10.00 C ATOM 1069 CG GLU A 85 5.734 -11.906 6.734 1.00 10.00 C ATOM 1070 CD GLU A 85 4.681 -12.821 6.155 1.00 10.00 C ATOM 1071 OE1 GLU A 85 4.775 -13.163 4.959 1.00 10.00 O ATOM 1072 OE2 GLU A 85 3.759 -13.212 6.901 1.00 10.00 O ATOM 0 H GLU A 85 5.910 -8.653 5.225 1.00 10.00 H new ATOM 0 HA GLU A 85 4.201 -9.911 5.799 1.00 10.00 H new ATOM 0 HB2 GLU A 85 5.854 -10.447 8.292 1.00 10.00 H new ATOM 0 HB3 GLU A 85 4.259 -11.140 8.079 1.00 10.00 H new ATOM 0 HG2 GLU A 85 6.337 -11.493 5.925 1.00 10.00 H new ATOM 0 HG3 GLU A 85 6.405 -12.484 7.369 1.00 10.00 H new ATOM 1079 N ASP A 86 3.913 -7.368 7.373 1.00 10.00 N ATOM 1080 CA ASP A 86 3.027 -6.444 8.075 1.00 10.00 C ATOM 1081 C ASP A 86 1.697 -6.334 7.341 1.00 10.00 C ATOM 1082 O ASP A 86 1.638 -6.474 6.116 1.00 10.00 O ATOM 1083 CB ASP A 86 3.667 -5.060 8.219 1.00 10.00 C ATOM 1084 CG ASP A 86 4.139 -4.785 9.635 1.00 10.00 C ATOM 1085 OD1 ASP A 86 3.520 -5.307 10.587 1.00 10.00 O ATOM 1086 OD2 ASP A 86 5.128 -4.045 9.808 1.00 10.00 O ATOM 0 H ASP A 86 4.641 -6.921 6.815 1.00 10.00 H new ATOM 0 HA ASP A 86 2.852 -6.839 9.076 1.00 10.00 H new ATOM 0 HB2 ASP A 86 4.512 -4.981 7.535 1.00 10.00 H new ATOM 0 HB3 ASP A 86 2.946 -4.297 7.925 1.00 10.00 H new ATOM 1091 N VAL A 87 0.632 -6.090 8.090 1.00 10.00 N ATOM 1092 CA VAL A 87 -0.702 -5.980 7.513 1.00 10.00 C ATOM 1093 C VAL A 87 -1.084 -4.517 7.290 1.00 10.00 C ATOM 1094 O VAL A 87 -0.697 -3.640 8.063 1.00 10.00 O ATOM 1095 CB VAL A 87 -1.765 -6.648 8.419 1.00 10.00 C ATOM 1096 CG1 VAL A 87 -3.060 -6.886 7.658 1.00 10.00 C ATOM 1097 CG2 VAL A 87 -1.239 -7.953 8.999 1.00 10.00 C ATOM 0 H VAL A 87 0.665 -5.964 9.102 1.00 10.00 H new ATOM 0 HA VAL A 87 -0.678 -6.497 6.554 1.00 10.00 H new ATOM 0 HB VAL A 87 -1.976 -5.967 9.243 1.00 10.00 H new ATOM 0 HG11 VAL A 87 -3.789 -7.356 8.318 1.00 10.00 H new ATOM 0 HG12 VAL A 87 -3.453 -5.934 7.303 1.00 10.00 H new ATOM 0 HG13 VAL A 87 -2.867 -7.539 6.807 1.00 10.00 H new ATOM 0 HG21 VAL A 87 -2.003 -8.404 9.632 1.00 10.00 H new ATOM 0 HG22 VAL A 87 -0.989 -8.637 8.188 1.00 10.00 H new ATOM 0 HG23 VAL A 87 -0.347 -7.754 9.593 1.00 10.00 H new ATOM 1107 N ILE A 88 -1.838 -4.262 6.231 1.00 10.00 N ATOM 1108 CA ILE A 88 -2.284 -2.914 5.912 1.00 10.00 C ATOM 1109 C ILE A 88 -3.770 -2.932 5.561 1.00 10.00 C ATOM 1110 O ILE A 88 -4.237 -3.831 4.860 1.00 10.00 O ATOM 1111 CB ILE A 88 -1.462 -2.307 4.745 1.00 10.00 C ATOM 1112 CG1 ILE A 88 -1.971 -0.906 4.392 1.00 10.00 C ATOM 1113 CG2 ILE A 88 -1.498 -3.211 3.522 1.00 10.00 C ATOM 1114 CD1 ILE A 88 -1.383 0.188 5.257 1.00 10.00 C ATOM 0 H ILE A 88 -2.155 -4.975 5.575 1.00 10.00 H new ATOM 0 HA ILE A 88 -2.127 -2.286 6.789 1.00 10.00 H new ATOM 0 HB ILE A 88 -0.426 -2.224 5.075 1.00 10.00 H new ATOM 0 HG12 ILE A 88 -1.739 -0.696 3.348 1.00 10.00 H new ATOM 0 HG13 ILE A 88 -3.057 -0.888 4.487 1.00 10.00 H new ATOM 0 HG21 ILE A 88 -0.914 -2.761 2.719 1.00 10.00 H new ATOM 0 HG22 ILE A 88 -1.077 -4.184 3.776 1.00 10.00 H new ATOM 0 HG23 ILE A 88 -2.529 -3.337 3.193 1.00 10.00 H new ATOM 0 HD11 ILE A 88 -1.789 1.152 4.950 1.00 10.00 H new ATOM 0 HD12 ILE A 88 -1.637 0.003 6.301 1.00 10.00 H new ATOM 0 HD13 ILE A 88 -0.299 0.198 5.144 1.00 10.00 H new ATOM 1126 N GLU A 89 -4.516 -1.960 6.073 1.00 10.00 N ATOM 1127 CA GLU A 89 -5.945 -1.885 5.808 1.00 10.00 C ATOM 1128 C GLU A 89 -6.235 -0.889 4.694 1.00 10.00 C ATOM 1129 O GLU A 89 -5.681 0.211 4.672 1.00 10.00 O ATOM 1130 CB GLU A 89 -6.707 -1.485 7.072 1.00 10.00 C ATOM 1131 CG GLU A 89 -6.652 -2.525 8.177 1.00 10.00 C ATOM 1132 CD GLU A 89 -7.756 -2.347 9.198 1.00 10.00 C ATOM 1133 OE1 GLU A 89 -8.845 -2.939 9.018 1.00 10.00 O ATOM 1134 OE2 GLU A 89 -7.545 -1.618 10.186 1.00 10.00 O ATOM 0 H GLU A 89 -4.156 -1.217 6.671 1.00 10.00 H new ATOM 0 HA GLU A 89 -6.280 -2.873 5.492 1.00 10.00 H new ATOM 0 HB2 GLU A 89 -6.300 -0.547 7.449 1.00 10.00 H new ATOM 0 HB3 GLU A 89 -7.749 -1.299 6.813 1.00 10.00 H new ATOM 0 HG2 GLU A 89 -6.724 -3.520 7.738 1.00 10.00 H new ATOM 0 HG3 GLU A 89 -5.686 -2.467 8.678 1.00 10.00 H new ATOM 1141 N VAL A 90 -7.107 -1.273 3.777 1.00 10.00 N ATOM 1142 CA VAL A 90 -7.470 -0.412 2.665 1.00 10.00 C ATOM 1143 C VAL A 90 -8.991 -0.329 2.528 1.00 10.00 C ATOM 1144 O VAL A 90 -9.670 -1.336 2.322 1.00 10.00 O ATOM 1145 CB VAL A 90 -6.828 -0.890 1.338 1.00 10.00 C ATOM 1146 CG1 VAL A 90 -7.116 -2.364 1.076 1.00 10.00 C ATOM 1147 CG2 VAL A 90 -7.298 -0.032 0.168 1.00 10.00 C ATOM 0 H VAL A 90 -7.578 -2.178 3.781 1.00 10.00 H new ATOM 0 HA VAL A 90 -7.082 0.584 2.877 1.00 10.00 H new ATOM 0 HB VAL A 90 -5.748 -0.776 1.436 1.00 10.00 H new ATOM 0 HG11 VAL A 90 -6.651 -2.664 0.137 1.00 10.00 H new ATOM 0 HG12 VAL A 90 -6.711 -2.964 1.890 1.00 10.00 H new ATOM 0 HG13 VAL A 90 -8.193 -2.519 1.013 1.00 10.00 H new ATOM 0 HG21 VAL A 90 -6.834 -0.386 -0.753 1.00 10.00 H new ATOM 0 HG22 VAL A 90 -8.382 -0.102 0.078 1.00 10.00 H new ATOM 0 HG23 VAL A 90 -7.014 1.006 0.341 1.00 10.00 H new ATOM 1157 N TYR A 91 -9.522 0.877 2.668 1.00 10.00 N ATOM 1158 CA TYR A 91 -10.959 1.095 2.572 1.00 10.00 C ATOM 1159 C TYR A 91 -11.264 2.250 1.632 1.00 10.00 C ATOM 1160 O TYR A 91 -10.350 2.912 1.145 1.00 10.00 O ATOM 1161 CB TYR A 91 -11.548 1.357 3.961 1.00 10.00 C ATOM 1162 CG TYR A 91 -11.394 0.179 4.896 1.00 10.00 C ATOM 1163 CD1 TYR A 91 -12.120 -0.986 4.695 1.00 10.00 C ATOM 1164 CD2 TYR A 91 -10.514 0.226 5.969 1.00 10.00 C ATOM 1165 CE1 TYR A 91 -11.973 -2.072 5.533 1.00 10.00 C ATOM 1166 CE2 TYR A 91 -10.363 -0.856 6.812 1.00 10.00 C ATOM 1167 CZ TYR A 91 -11.095 -2.000 6.589 1.00 10.00 C ATOM 1168 OH TYR A 91 -10.941 -3.080 7.423 1.00 10.00 O ATOM 0 H TYR A 91 -8.979 1.721 2.849 1.00 10.00 H new ATOM 0 HA TYR A 91 -11.421 0.196 2.164 1.00 10.00 H new ATOM 0 HB2 TYR A 91 -11.060 2.228 4.399 1.00 10.00 H new ATOM 0 HB3 TYR A 91 -12.606 1.600 3.862 1.00 10.00 H new ATOM 0 HD1 TYR A 91 -12.812 -1.044 3.868 1.00 10.00 H new ATOM 0 HD2 TYR A 91 -9.939 1.123 6.146 1.00 10.00 H new ATOM 0 HE1 TYR A 91 -12.544 -2.973 5.361 1.00 10.00 H new ATOM 0 HE2 TYR A 91 -9.674 -0.805 7.642 1.00 10.00 H new ATOM 0 HH TYR A 91 -10.027 -3.093 7.776 1.00 10.00 H new ATOM 1178 N GLN A 92 -12.540 2.496 1.391 1.00 10.00 N ATOM 1179 CA GLN A 92 -12.954 3.558 0.486 1.00 10.00 C ATOM 1180 C GLN A 92 -13.151 4.877 1.226 1.00 10.00 C ATOM 1181 O GLN A 92 -13.666 4.903 2.345 1.00 10.00 O ATOM 1182 CB GLN A 92 -14.242 3.150 -0.226 1.00 10.00 C ATOM 1183 CG GLN A 92 -14.553 3.978 -1.459 1.00 10.00 C ATOM 1184 CD GLN A 92 -15.507 3.271 -2.394 1.00 10.00 C ATOM 1185 OE1 GLN A 92 -15.089 2.541 -3.292 1.00 10.00 O ATOM 1186 NE2 GLN A 92 -16.797 3.469 -2.185 1.00 10.00 N ATOM 0 H GLN A 92 -13.310 1.974 1.810 1.00 10.00 H new ATOM 0 HA GLN A 92 -12.164 3.710 -0.250 1.00 10.00 H new ATOM 0 HB2 GLN A 92 -14.170 2.101 -0.514 1.00 10.00 H new ATOM 0 HB3 GLN A 92 -15.074 3.232 0.474 1.00 10.00 H new ATOM 0 HG2 GLN A 92 -14.984 4.932 -1.155 1.00 10.00 H new ATOM 0 HG3 GLN A 92 -13.627 4.201 -1.988 1.00 10.00 H new ATOM 0 HE21 GLN A 92 -17.103 4.082 -1.429 1.00 10.00 H new ATOM 0 HE22 GLN A 92 -17.486 3.009 -2.779 1.00 10.00 H new ATOM 1195 N GLU A 93 -12.729 5.963 0.591 1.00 10.00 N ATOM 1196 CA GLU A 93 -12.854 7.297 1.165 1.00 10.00 C ATOM 1197 C GLU A 93 -14.295 7.796 1.081 1.00 10.00 C ATOM 1198 O GLU A 93 -15.137 7.178 0.428 1.00 10.00 O ATOM 1199 CB GLU A 93 -11.920 8.272 0.442 1.00 10.00 C ATOM 1200 CG GLU A 93 -10.472 8.179 0.898 1.00 10.00 C ATOM 1201 CD GLU A 93 -10.236 8.869 2.229 1.00 10.00 C ATOM 1202 OE1 GLU A 93 -10.938 8.544 3.210 1.00 10.00 O ATOM 1203 OE2 GLU A 93 -9.348 9.741 2.300 1.00 10.00 O ATOM 0 H GLU A 93 -12.293 5.945 -0.331 1.00 10.00 H new ATOM 0 HA GLU A 93 -12.571 7.242 2.216 1.00 10.00 H new ATOM 0 HB2 GLU A 93 -11.968 8.080 -0.630 1.00 10.00 H new ATOM 0 HB3 GLU A 93 -12.277 9.289 0.600 1.00 10.00 H new ATOM 0 HG2 GLU A 93 -10.187 7.130 0.981 1.00 10.00 H new ATOM 0 HG3 GLU A 93 -9.827 8.626 0.141 1.00 10.00 H new ATOM 1210 N GLN A 94 -14.568 8.919 1.736 1.00 10.00 N ATOM 1211 CA GLN A 94 -15.909 9.493 1.746 1.00 10.00 C ATOM 1212 C GLN A 94 -16.282 10.046 0.372 1.00 10.00 C ATOM 1213 O GLN A 94 -17.431 9.935 -0.060 1.00 10.00 O ATOM 1214 CB GLN A 94 -16.008 10.600 2.796 1.00 10.00 C ATOM 1215 CG GLN A 94 -17.421 11.137 2.976 1.00 10.00 C ATOM 1216 CD GLN A 94 -17.445 12.540 3.544 1.00 10.00 C ATOM 1217 OE1 GLN A 94 -16.517 13.323 3.340 1.00 10.00 O ATOM 1218 NE2 GLN A 94 -18.513 12.871 4.253 1.00 10.00 N ATOM 0 H GLN A 94 -13.878 9.450 2.267 1.00 10.00 H new ATOM 0 HA GLN A 94 -16.610 8.697 1.998 1.00 10.00 H new ATOM 0 HB2 GLN A 94 -15.648 10.218 3.751 1.00 10.00 H new ATOM 0 HB3 GLN A 94 -15.349 11.420 2.512 1.00 10.00 H new ATOM 0 HG2 GLN A 94 -17.933 11.130 2.014 1.00 10.00 H new ATOM 0 HG3 GLN A 94 -17.976 10.472 3.637 1.00 10.00 H new ATOM 0 HE21 GLN A 94 -19.260 12.191 4.398 1.00 10.00 H new ATOM 0 HE22 GLN A 94 -18.589 13.806 4.654 1.00 10.00 H new ATOM 1227 N THR A 95 -15.315 10.646 -0.309 1.00 10.00 N ATOM 1228 CA THR A 95 -15.558 11.212 -1.627 1.00 10.00 C ATOM 1229 C THR A 95 -15.787 10.114 -2.661 1.00 10.00 C ATOM 1230 O THR A 95 -16.917 9.884 -3.097 1.00 10.00 O ATOM 1231 CB THR A 95 -14.387 12.109 -2.069 1.00 10.00 C ATOM 1232 OG1 THR A 95 -13.157 11.595 -1.534 1.00 10.00 O ATOM 1233 CG2 THR A 95 -14.592 13.543 -1.600 1.00 10.00 C ATOM 0 H THR A 95 -14.358 10.753 0.029 1.00 10.00 H new ATOM 0 HA THR A 95 -16.459 11.822 -1.559 1.00 10.00 H new ATOM 0 HB THR A 95 -14.343 12.107 -3.158 1.00 10.00 H new ATOM 0 HG1 THR A 95 -12.413 12.166 -1.818 1.00 10.00 H new ATOM 0 HG21 THR A 95 -13.751 14.156 -1.925 1.00 10.00 H new ATOM 0 HG22 THR A 95 -15.514 13.937 -2.027 1.00 10.00 H new ATOM 0 HG23 THR A 95 -14.657 13.564 -0.512 1.00 10.00 H new ATOM 1241 N GLY A 96 -14.717 9.431 -3.038 1.00 10.00 N ATOM 1242 CA GLY A 96 -14.827 8.363 -4.009 1.00 10.00 C ATOM 1243 C GLY A 96 -13.688 8.368 -5.006 1.00 10.00 C ATOM 1244 O GLY A 96 -13.388 7.343 -5.618 1.00 10.00 O ATOM 0 H GLY A 96 -13.773 9.598 -2.688 1.00 10.00 H new ATOM 0 HA2 GLY A 96 -14.847 7.405 -3.490 1.00 10.00 H new ATOM 0 HA3 GLY A 96 -15.773 8.457 -4.542 1.00 10.00 H new ATOM 1248 N GLY A 97 -13.050 9.518 -5.173 1.00 10.00 N ATOM 1249 CA GLY A 97 -11.942 9.622 -6.101 1.00 10.00 C ATOM 1250 C GLY A 97 -11.536 11.059 -6.339 1.00 10.00 C ATOM 1251 O GLY A 97 -12.192 11.979 -5.846 1.00 10.00 O ATOM 0 H GLY A 97 -13.280 10.382 -4.682 1.00 10.00 H new ATOM 0 HA2 GLY A 97 -11.090 9.064 -5.712 1.00 10.00 H new ATOM 0 HA3 GLY A 97 -12.219 9.162 -7.049 1.00 10.00 H new TER 1255 GLY A 97 ATOM 1256 N ASP B 195 -6.742 -21.565 -4.536 1.00 10.00 N ATOM 1257 CA ASP B 195 -6.930 -20.234 -3.988 1.00 10.00 C ATOM 1258 C ASP B 195 -6.500 -19.203 -5.013 1.00 10.00 C ATOM 1259 O ASP B 195 -6.074 -19.560 -6.119 1.00 10.00 O ATOM 1260 CB ASP B 195 -6.108 -20.056 -2.710 1.00 10.00 C ATOM 1261 CG ASP B 195 -6.741 -19.074 -1.735 1.00 10.00 C ATOM 1262 OD1 ASP B 195 -7.214 -19.515 -0.665 1.00 10.00 O ATOM 1263 OD2 ASP B 195 -6.777 -17.864 -2.029 1.00 10.00 O ATOM 0 HA ASP B 195 -7.984 -20.100 -3.746 1.00 10.00 H new ATOM 0 HB2 ASP B 195 -5.991 -21.023 -2.221 1.00 10.00 H new ATOM 0 HB3 ASP B 195 -5.109 -19.708 -2.971 1.00 10.00 H new ATOM 1268 N THR B 196 -6.616 -17.937 -4.666 1.00 10.00 N ATOM 1269 CA THR B 196 -6.207 -16.884 -5.566 1.00 10.00 C ATOM 1270 C THR B 196 -5.139 -16.034 -4.880 1.00 10.00 C ATOM 1271 O THR B 196 -5.354 -15.502 -3.792 1.00 10.00 O ATOM 1272 CB THR B 196 -7.414 -16.016 -5.993 1.00 10.00 C ATOM 1273 OG1 THR B 196 -8.605 -16.518 -5.373 1.00 10.00 O ATOM 1274 CG2 THR B 196 -7.594 -16.047 -7.504 1.00 10.00 C ATOM 0 H THR B 196 -6.988 -17.616 -3.772 1.00 10.00 H new ATOM 0 HA THR B 196 -5.792 -17.326 -6.472 1.00 10.00 H new ATOM 0 HB THR B 196 -7.228 -14.989 -5.680 1.00 10.00 H new ATOM 0 HG1 THR B 196 -9.370 -15.968 -5.641 1.00 10.00 H new ATOM 0 HG21 THR B 196 -8.449 -15.430 -7.781 1.00 10.00 H new ATOM 0 HG22 THR B 196 -6.696 -15.661 -7.985 1.00 10.00 H new ATOM 0 HG23 THR B 196 -7.767 -17.073 -7.829 1.00 10.00 H new ATOM 1282 N ALA B 197 -3.979 -15.924 -5.509 1.00 10.00 N ATOM 1283 CA ALA B 197 -2.888 -15.150 -4.948 1.00 10.00 C ATOM 1284 C ALA B 197 -2.405 -14.105 -5.936 1.00 10.00 C ATOM 1285 O ALA B 197 -2.142 -14.417 -7.098 1.00 10.00 O ATOM 1286 CB ALA B 197 -1.740 -16.061 -4.542 1.00 10.00 C ATOM 0 H ALA B 197 -3.771 -16.361 -6.407 1.00 10.00 H new ATOM 0 HA ALA B 197 -3.258 -14.639 -4.059 1.00 10.00 H new ATOM 0 HB1 ALA B 197 -0.931 -15.462 -4.123 1.00 10.00 H new ATOM 0 HB2 ALA B 197 -2.088 -16.774 -3.795 1.00 10.00 H new ATOM 0 HB3 ALA B 197 -1.377 -16.601 -5.417 1.00 10.00 H new ATOM 1292 N GLY B 198 -2.293 -12.878 -5.486 1.00 10.00 N ATOM 1293 CA GLY B 198 -1.803 -11.839 -6.357 1.00 10.00 C ATOM 1294 C GLY B 198 -0.546 -11.213 -5.797 1.00 10.00 C ATOM 1295 O GLY B 198 -0.536 -10.773 -4.650 1.00 10.00 O ATOM 0 H GLY B 198 -2.530 -12.579 -4.540 1.00 10.00 H new ATOM 0 HA2 GLY B 198 -1.599 -12.253 -7.344 1.00 10.00 H new ATOM 0 HA3 GLY B 198 -2.569 -11.074 -6.484 1.00 10.00 H new ATOM 1299 N CYS B 199 0.510 -11.170 -6.588 1.00 10.00 N ATOM 1300 CA CYS B 199 1.752 -10.570 -6.139 1.00 10.00 C ATOM 1301 C CYS B 199 2.109 -9.413 -7.054 1.00 10.00 C ATOM 1302 O CYS B 199 2.184 -9.568 -8.275 1.00 10.00 O ATOM 1303 CB CYS B 199 2.870 -11.617 -6.120 1.00 10.00 C ATOM 1304 SG CYS B 199 2.374 -13.213 -5.420 1.00 10.00 S ATOM 0 H CYS B 199 0.533 -11.541 -7.538 1.00 10.00 H new ATOM 0 HA CYS B 199 1.629 -10.192 -5.124 1.00 10.00 H new ATOM 0 HB2 CYS B 199 3.225 -11.773 -7.139 1.00 10.00 H new ATOM 0 HB3 CYS B 199 3.710 -11.226 -5.546 1.00 10.00 H new ATOM 0 HG CYS B 199 2.030 -13.053 -4.177 1.00 10.00 H new ATOM 1310 N ILE B 200 2.312 -8.258 -6.453 1.00 10.00 N ATOM 1311 CA ILE B 200 2.642 -7.054 -7.194 1.00 10.00 C ATOM 1312 C ILE B 200 3.947 -6.426 -6.707 1.00 10.00 C ATOM 1313 O ILE B 200 4.170 -6.294 -5.500 1.00 10.00 O ATOM 1314 CB ILE B 200 1.484 -6.032 -7.116 1.00 10.00 C ATOM 1315 CG1 ILE B 200 1.862 -4.710 -7.790 1.00 10.00 C ATOM 1316 CG2 ILE B 200 1.065 -5.797 -5.668 1.00 10.00 C ATOM 1317 CD1 ILE B 200 0.693 -3.767 -7.953 1.00 10.00 C ATOM 0 H ILE B 200 2.254 -8.126 -5.443 1.00 10.00 H new ATOM 0 HA ILE B 200 2.786 -7.341 -8.236 1.00 10.00 H new ATOM 0 HB ILE B 200 0.635 -6.452 -7.656 1.00 10.00 H new ATOM 0 HG12 ILE B 200 2.637 -4.219 -7.202 1.00 10.00 H new ATOM 0 HG13 ILE B 200 2.291 -4.919 -8.770 1.00 10.00 H new ATOM 0 HG21 ILE B 200 0.249 -5.075 -5.638 1.00 10.00 H new ATOM 0 HG22 ILE B 200 0.733 -6.737 -5.228 1.00 10.00 H new ATOM 0 HG23 ILE B 200 1.913 -5.411 -5.102 1.00 10.00 H new ATOM 0 HD11 ILE B 200 1.030 -2.850 -8.437 1.00 10.00 H new ATOM 0 HD12 ILE B 200 -0.074 -4.240 -8.566 1.00 10.00 H new ATOM 0 HD13 ILE B 200 0.278 -3.529 -6.974 1.00 10.00 H new ATOM 1329 N VAL B 201 4.821 -6.072 -7.644 1.00 10.00 N ATOM 1330 CA VAL B 201 6.090 -5.427 -7.315 1.00 10.00 C ATOM 1331 C VAL B 201 6.127 -4.040 -7.950 1.00 10.00 C ATOM 1332 O VAL B 201 5.813 -3.880 -9.130 1.00 10.00 O ATOM 1333 CB VAL B 201 7.319 -6.239 -7.775 1.00 10.00 C ATOM 1334 CG1 VAL B 201 8.598 -5.599 -7.259 1.00 10.00 C ATOM 1335 CG2 VAL B 201 7.216 -7.679 -7.302 1.00 10.00 C ATOM 0 H VAL B 201 4.674 -6.221 -8.642 1.00 10.00 H new ATOM 0 HA VAL B 201 6.145 -5.359 -6.229 1.00 10.00 H new ATOM 0 HB VAL B 201 7.345 -6.238 -8.865 1.00 10.00 H new ATOM 0 HG11 VAL B 201 9.457 -6.183 -7.591 1.00 10.00 H new ATOM 0 HG12 VAL B 201 8.678 -4.583 -7.646 1.00 10.00 H new ATOM 0 HG13 VAL B 201 8.577 -5.572 -6.170 1.00 10.00 H new ATOM 0 HG21 VAL B 201 8.092 -8.235 -7.636 1.00 10.00 H new ATOM 0 HG22 VAL B 201 7.165 -7.702 -6.213 1.00 10.00 H new ATOM 0 HG23 VAL B 201 6.317 -8.135 -7.717 1.00 10.00 H new ATOM 1345 N ILE B 202 6.505 -3.050 -7.165 1.00 10.00 N ATOM 1346 CA ILE B 202 6.533 -1.669 -7.617 1.00 10.00 C ATOM 1347 C ILE B 202 7.950 -1.095 -7.569 1.00 10.00 C ATOM 1348 O ILE B 202 8.702 -1.368 -6.632 1.00 10.00 O ATOM 1349 CB ILE B 202 5.585 -0.790 -6.767 1.00 10.00 C ATOM 1350 CG1 ILE B 202 5.462 0.596 -7.386 1.00 10.00 C ATOM 1351 CG2 ILE B 202 6.075 -0.690 -5.323 1.00 10.00 C ATOM 1352 CD1 ILE B 202 4.579 1.544 -6.607 1.00 10.00 C ATOM 0 H ILE B 202 6.801 -3.178 -6.197 1.00 10.00 H new ATOM 0 HA ILE B 202 6.191 -1.661 -8.652 1.00 10.00 H new ATOM 0 HB ILE B 202 4.602 -1.260 -6.754 1.00 10.00 H new ATOM 0 HG12 ILE B 202 6.457 1.033 -7.474 1.00 10.00 H new ATOM 0 HG13 ILE B 202 5.067 0.497 -8.397 1.00 10.00 H new ATOM 0 HG21 ILE B 202 5.390 -0.066 -4.749 1.00 10.00 H new ATOM 0 HG22 ILE B 202 6.115 -1.686 -4.883 1.00 10.00 H new ATOM 0 HG23 ILE B 202 7.070 -0.246 -5.306 1.00 10.00 H new ATOM 0 HD11 ILE B 202 4.544 2.508 -7.114 1.00 10.00 H new ATOM 0 HD12 ILE B 202 3.572 1.132 -6.541 1.00 10.00 H new ATOM 0 HD13 ILE B 202 4.983 1.676 -5.603 1.00 10.00 H new HETATM 1364 N SEP B 203 8.347 -0.341 -8.587 1.00 10.00 N HETATM 1365 CA SEP B 203 9.680 0.232 -8.579 1.00 10.00 C HETATM 1366 CB SEP B 203 10.374 -0.171 -9.879 1.00 10.00 C HETATM 1367 OG SEP B 203 11.665 0.397 -9.995 1.00 10.00 O HETATM 1368 C SEP B 203 9.596 1.749 -8.492 1.00 10.00 C HETATM 1369 O SEP B 203 9.037 2.418 -9.362 1.00 10.00 O HETATM 1370 P SEP B 203 12.903 -0.360 -9.344 1.00 10.00 P HETATM 1371 O1P SEP B 203 14.204 -0.019 -9.932 1.00 10.00 O HETATM 1372 O2P SEP B 203 12.694 -1.811 -9.175 1.00 10.00 O HETATM 1373 O3P SEP B 203 12.977 0.210 -7.855 1.00 10.00 O HETATM 0 HB3 SEP B 203 10.451 -1.257 -9.926 1.00 10.00 H new HETATM 0 HB2 SEP B 203 9.764 0.142 -10.726 1.00 10.00 H new HETATM 0 HA SEP B 203 10.240 -0.132 -7.718 1.00 10.00 H new HETATM 0 H SEP B 203 8.037 -0.901 -9.382 1.00 10.00 H new ATOM 1378 N ASP B 204 10.105 2.269 -7.388 1.00 10.00 N ATOM 1379 CA ASP B 204 10.137 3.704 -7.142 1.00 10.00 C ATOM 1380 C ASP B 204 11.470 4.175 -6.564 1.00 10.00 C ATOM 1381 O ASP B 204 11.983 3.578 -5.628 1.00 10.00 O ATOM 1382 CB ASP B 204 9.013 4.113 -6.229 1.00 10.00 C ATOM 1383 CG ASP B 204 8.781 5.606 -6.286 1.00 10.00 C ATOM 1384 OD1 ASP B 204 8.942 6.193 -7.378 1.00 10.00 O ATOM 1385 OD2 ASP B 204 8.429 6.193 -5.250 1.00 10.00 O ATOM 0 H ASP B 204 10.508 1.710 -6.636 1.00 10.00 H new ATOM 0 HA ASP B 204 10.014 4.186 -8.112 1.00 10.00 H new ATOM 0 HB2 ASP B 204 8.100 3.589 -6.513 1.00 10.00 H new ATOM 0 HB3 ASP B 204 9.245 3.817 -5.206 1.00 10.00 H new HETATM 1390 N SEP B 205 12.049 5.198 -7.146 1.00 10.00 N HETATM 1391 CA SEP B 205 13.304 5.759 -6.634 1.00 10.00 C HETATM 1392 CB SEP B 205 14.499 5.415 -7.466 1.00 10.00 C HETATM 1393 OG SEP B 205 15.376 4.535 -6.762 1.00 10.00 O HETATM 1394 C SEP B 205 13.253 7.274 -6.462 1.00 10.00 C HETATM 1395 O SEP B 205 12.604 7.974 -7.254 1.00 10.00 O HETATM 1396 P SEP B 205 16.947 4.815 -6.764 1.00 10.00 P HETATM 1397 O1P SEP B 205 17.083 6.405 -6.732 1.00 10.00 O HETATM 1398 O2P SEP B 205 17.620 4.408 -8.006 1.00 10.00 O HETATM 1399 O3P SEP B 205 17.645 4.373 -5.548 1.00 10.00 O HETATM 0 HB3 SEP B 205 14.177 4.946 -8.396 1.00 10.00 H new HETATM 0 HB2 SEP B 205 15.033 6.326 -7.737 1.00 10.00 H new HETATM 0 HA SEP B 205 13.415 5.289 -5.657 1.00 10.00 H new ATOM 1404 N GLU B 206 13.882 7.761 -5.397 1.00 10.00 N ATOM 1405 CA GLU B 206 13.966 9.198 -5.123 1.00 10.00 C ATOM 1406 C GLU B 206 14.338 9.995 -6.380 1.00 10.00 C ATOM 1407 O GLU B 206 15.048 9.506 -7.259 1.00 10.00 O ATOM 1408 CB GLU B 206 15.011 9.457 -4.032 1.00 10.00 C ATOM 1409 CG GLU B 206 15.513 10.887 -4.000 1.00 10.00 C ATOM 1410 CD GLU B 206 14.454 11.863 -3.540 1.00 10.00 C ATOM 1411 OE1 GLU B 206 13.834 12.513 -4.400 1.00 10.00 O ATOM 1412 OE2 GLU B 206 14.234 11.978 -2.317 1.00 10.00 O ATOM 0 H GLU B 206 14.346 7.178 -4.701 1.00 10.00 H new ATOM 0 HA GLU B 206 12.983 9.529 -4.789 1.00 10.00 H new ATOM 0 HB2 GLU B 206 14.580 9.210 -3.062 1.00 10.00 H new ATOM 0 HB3 GLU B 206 15.857 8.787 -4.185 1.00 10.00 H new ATOM 0 HG2 GLU B 206 16.375 10.951 -3.336 1.00 10.00 H new ATOM 0 HG3 GLU B 206 15.856 11.170 -4.995 1.00 10.00 H new TER 1419 GLU B 206