USER MOD reduce.3.24.130724 H: found=0, std=0, add=955, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 958 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 119 CYS SG : rot -35:sc= -0.482 USER MOD Set 1.2: A 124 CYS SG : rot 180:sc= 0 USER MOD Set 2.1: A 64 ASN : amide:sc= -1.57 K(o=-2.1,f=-6.7!) USER MOD Set 2.2: A 72 MET CE :methyl -169:sc= -0.514 (180deg=-0.931) USER MOD Single : A 9 GLN : amide:sc= -0.391 X(o=-0.39,f=0.0092) USER MOD Single : A 13 GLN : amide:sc= -1.14! X(o=-1.1!,f=-0.85) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -108:sc= -2.11! (180deg=-4.94!) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 GLN :FLIP amide:sc= -0.61 F(o=-2.3!,f=-0.61) USER MOD Single : A 42 LYS NZ :NH3+ -158:sc= -0.0549 (180deg=-0.319) USER MOD Single : A 44 CYS SG : rot 63:sc= 0.585 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.00439) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 ASN :FLIP amide:sc= -1.5 F(o=-3.3!,f=-1.5) USER MOD Single : A 63 MET CE :methyl 148:sc= -1.28 (180deg=-1.52) USER MOD Single : A 68 SER OG : rot 180:sc=0.000905 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 142:sc= -0.0217 (180deg=-0.761) USER MOD Single : A 76 SER OG : rot 4:sc= 0.489 USER MOD Single : A 79 CYS SG : rot 41:sc= 1.28 USER MOD Single : A 84 LYS NZ :NH3+ 147:sc= -0.757 (180deg=-2.01!) USER MOD Single : A 85 TYR OH : rot -67:sc= 0.225 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 100:sc= 1.24 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -2.19! C(o=-2.2!,f=-2.7!) USER MOD Single : A 104 GLN : amide:sc= -5.8! C(o=-5.8!,f=-7.9!) USER MOD Single : A 105 THR OG1 : rot 83:sc= 0.162 USER MOD Single : A 106 GLN : amide:sc= -0.647 X(o=-0.65,f=-0.3) USER MOD Single : A 108 ASN : amide:sc= 0.209 K(o=0.21,f=-4.7!) USER MOD Single : A 109 THR OG1 : rot 78:sc= 1 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 GLN : amide:sc= -4.47! C(o=-4.5!,f=-11!) USER MOD Single : A 117 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0494) USER MOD Single : A 118 HIS :FLIP no HD1:sc= -1.6 F(o=-2.4,f=-1.6) USER MOD Single : A 120 HIS : no HD1:sc= -0.0659 X(o=-0.066,f=-0.0012) USER MOD Single : A 127 ASN :FLIP amide:sc= -2.04 F(o=-3.9!,f=-2) USER MOD Single : A 129 THR OG1 : rot -47:sc= 1.19 USER MOD Single : A 135 HIS : no HD1:sc= -12.7! C(o=-13!,f=-13!) USER MOD Single : A 137 SER OG : rot -81:sc= 0.98 USER MOD Single : A 139 TYR OH : rot -50:sc= 0.0306 USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 -2.218 22.355 4.097 1.00 0.00 N ATOM 67 CA GLU A 8 -2.236 21.208 4.996 1.00 0.00 C ATOM 68 C GLU A 8 -2.246 19.900 4.210 1.00 0.00 C ATOM 69 O GLU A 8 -1.499 18.972 4.520 1.00 0.00 O ATOM 70 CB GLU A 8 -3.456 21.272 5.917 1.00 0.00 C ATOM 71 CG GLU A 8 -4.781 21.208 5.176 1.00 0.00 C ATOM 72 CD GLU A 8 -5.975 21.279 6.108 1.00 0.00 C ATOM 73 OE1 GLU A 8 -6.171 22.336 6.743 1.00 0.00 O ATOM 74 OE2 GLU A 8 -6.713 20.276 6.203 1.00 0.00 O ATOM 0 HA GLU A 8 -1.331 21.240 5.602 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.407 20.448 6.629 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.417 22.195 6.495 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.833 22.029 4.461 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.828 20.283 4.602 1.00 0.00 H new ATOM 81 N GLN A 9 -3.098 19.835 3.192 1.00 0.00 N ATOM 82 CA GLN A 9 -3.207 18.641 2.362 1.00 0.00 C ATOM 83 C GLN A 9 -1.832 18.036 2.097 1.00 0.00 C ATOM 84 O GLN A 9 -1.587 16.870 2.407 1.00 0.00 O ATOM 85 CB GLN A 9 -3.894 18.976 1.037 1.00 0.00 C ATOM 86 CG GLN A 9 -4.473 17.762 0.329 1.00 0.00 C ATOM 87 CD GLN A 9 -5.203 18.126 -0.949 1.00 0.00 C ATOM 88 OE1 GLN A 9 -4.582 18.447 -1.963 1.00 0.00 O ATOM 89 NE2 GLN A 9 -6.530 18.077 -0.908 1.00 0.00 N ATOM 0 H GLN A 9 -3.723 20.595 2.922 1.00 0.00 H new ATOM 0 HA GLN A 9 -3.809 17.909 2.900 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -4.693 19.694 1.223 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -3.176 19.463 0.377 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -3.669 17.063 0.098 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -5.159 17.247 1.001 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -7.004 17.806 -0.046 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -7.075 18.311 -1.738 1.00 0.00 H new ATOM 98 N ALA A 10 -0.940 18.835 1.522 1.00 0.00 N ATOM 99 CA ALA A 10 0.410 18.378 1.217 1.00 0.00 C ATOM 100 C ALA A 10 1.055 17.721 2.432 1.00 0.00 C ATOM 101 O ALA A 10 1.560 16.602 2.349 1.00 0.00 O ATOM 102 CB ALA A 10 1.263 19.540 0.728 1.00 0.00 C ATOM 0 H ALA A 10 -1.128 19.802 1.258 1.00 0.00 H new ATOM 0 HA ALA A 10 0.344 17.632 0.425 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.269 19.184 0.504 1.00 0.00 H new ATOM 0 HB2 ALA A 10 0.819 19.964 -0.173 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.313 20.306 1.502 1.00 0.00 H new ATOM 108 N GLU A 11 1.036 18.425 3.560 1.00 0.00 N ATOM 109 CA GLU A 11 1.622 17.910 4.792 1.00 0.00 C ATOM 110 C GLU A 11 0.946 16.607 5.211 1.00 0.00 C ATOM 111 O GLU A 11 1.588 15.710 5.757 1.00 0.00 O ATOM 112 CB GLU A 11 1.500 18.944 5.913 1.00 0.00 C ATOM 113 CG GLU A 11 2.080 20.302 5.554 1.00 0.00 C ATOM 114 CD GLU A 11 2.185 21.226 6.751 1.00 0.00 C ATOM 115 OE1 GLU A 11 1.441 21.014 7.731 1.00 0.00 O ATOM 116 OE2 GLU A 11 3.012 22.161 6.709 1.00 0.00 O ATOM 0 H GLU A 11 0.621 19.353 3.646 1.00 0.00 H new ATOM 0 HA GLU A 11 2.677 17.710 4.607 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.448 19.064 6.172 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.006 18.566 6.801 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.069 20.166 5.117 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.456 20.770 4.792 1.00 0.00 H new ATOM 123 N ALA A 12 -0.354 16.511 4.952 1.00 0.00 N ATOM 124 CA ALA A 12 -1.116 15.319 5.301 1.00 0.00 C ATOM 125 C ALA A 12 -0.588 14.094 4.562 1.00 0.00 C ATOM 126 O ALA A 12 -0.317 13.060 5.172 1.00 0.00 O ATOM 127 CB ALA A 12 -2.592 15.527 4.993 1.00 0.00 C ATOM 0 H ALA A 12 -0.901 17.245 4.502 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.000 15.144 6.371 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.149 14.629 5.259 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.969 16.372 5.570 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.717 15.730 3.929 1.00 0.00 H new ATOM 133 N GLN A 13 -0.445 14.218 3.247 1.00 0.00 N ATOM 134 CA GLN A 13 0.050 13.119 2.426 1.00 0.00 C ATOM 135 C GLN A 13 1.539 12.888 2.665 1.00 0.00 C ATOM 136 O GLN A 13 1.994 11.747 2.756 1.00 0.00 O ATOM 137 CB GLN A 13 -0.202 13.407 0.945 1.00 0.00 C ATOM 138 CG GLN A 13 -1.652 13.224 0.528 1.00 0.00 C ATOM 139 CD GLN A 13 -1.939 13.786 -0.850 1.00 0.00 C ATOM 140 OE1 GLN A 13 -1.113 13.686 -1.758 1.00 0.00 O ATOM 141 NE2 GLN A 13 -3.114 14.382 -1.014 1.00 0.00 N ATOM 0 H GLN A 13 -0.665 15.068 2.727 1.00 0.00 H new ATOM 0 HA GLN A 13 -0.489 12.215 2.710 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.104 14.430 0.725 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.426 12.750 0.344 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -1.899 12.162 0.542 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -2.300 13.711 1.257 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -3.769 14.442 -0.234 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -3.362 14.779 -1.920 1.00 0.00 H new ATOM 150 N LEU A 14 2.292 13.977 2.765 1.00 0.00 N ATOM 151 CA LEU A 14 3.731 13.894 2.994 1.00 0.00 C ATOM 152 C LEU A 14 4.036 13.109 4.265 1.00 0.00 C ATOM 153 O LEU A 14 4.633 12.034 4.215 1.00 0.00 O ATOM 154 CB LEU A 14 4.334 15.297 3.090 1.00 0.00 C ATOM 155 CG LEU A 14 5.789 15.371 3.553 1.00 0.00 C ATOM 156 CD1 LEU A 14 6.720 14.831 2.479 1.00 0.00 C ATOM 157 CD2 LEU A 14 6.161 16.802 3.914 1.00 0.00 C ATOM 0 H LEU A 14 1.931 14.928 2.691 1.00 0.00 H new ATOM 0 HA LEU A 14 4.179 13.370 2.150 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.261 15.770 2.111 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.725 15.887 3.775 1.00 0.00 H new ATOM 0 HG LEU A 14 5.899 14.752 4.443 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.751 14.892 2.827 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.469 13.791 2.269 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.608 15.422 1.570 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.200 16.836 4.241 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.034 17.442 3.041 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.515 17.154 4.719 1.00 0.00 H new ATOM 169 N ALA A 15 3.619 13.652 5.404 1.00 0.00 N ATOM 170 CA ALA A 15 3.844 13.001 6.689 1.00 0.00 C ATOM 171 C ALA A 15 3.757 11.484 6.557 1.00 0.00 C ATOM 172 O ALA A 15 4.690 10.767 6.916 1.00 0.00 O ATOM 173 CB ALA A 15 2.841 13.502 7.717 1.00 0.00 C ATOM 0 H ALA A 15 3.123 14.541 5.463 1.00 0.00 H new ATOM 0 HA ALA A 15 4.849 13.254 7.026 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.021 13.008 8.672 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.953 14.579 7.840 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.830 13.279 7.377 1.00 0.00 H new ATOM 179 N GLU A 16 2.630 11.003 6.042 1.00 0.00 N ATOM 180 CA GLU A 16 2.422 9.570 5.865 1.00 0.00 C ATOM 181 C GLU A 16 3.605 8.934 5.142 1.00 0.00 C ATOM 182 O GLU A 16 4.091 7.873 5.537 1.00 0.00 O ATOM 183 CB GLU A 16 1.133 9.312 5.082 1.00 0.00 C ATOM 184 CG GLU A 16 0.496 7.966 5.385 1.00 0.00 C ATOM 185 CD GLU A 16 -0.990 7.944 5.086 1.00 0.00 C ATOM 186 OE1 GLU A 16 -1.404 8.566 4.085 1.00 0.00 O ATOM 187 OE2 GLU A 16 -1.739 7.303 5.853 1.00 0.00 O ATOM 0 H GLU A 16 1.848 11.584 5.740 1.00 0.00 H new ATOM 0 HA GLU A 16 2.336 9.117 6.853 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.417 10.102 5.307 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.348 9.371 4.015 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.992 7.193 4.798 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.655 7.721 6.435 1.00 0.00 H new ATOM 194 N LEU A 17 4.064 9.588 4.081 1.00 0.00 N ATOM 195 CA LEU A 17 5.190 9.087 3.301 1.00 0.00 C ATOM 196 C LEU A 17 6.430 8.928 4.175 1.00 0.00 C ATOM 197 O LEU A 17 6.859 7.811 4.463 1.00 0.00 O ATOM 198 CB LEU A 17 5.491 10.033 2.137 1.00 0.00 C ATOM 199 CG LEU A 17 4.391 10.173 1.084 1.00 0.00 C ATOM 200 CD1 LEU A 17 4.718 11.299 0.116 1.00 0.00 C ATOM 201 CD2 LEU A 17 4.200 8.862 0.335 1.00 0.00 C ATOM 0 H LEU A 17 3.674 10.467 3.741 1.00 0.00 H new ATOM 0 HA LEU A 17 4.919 8.108 2.905 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.704 11.021 2.544 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.399 9.690 1.641 1.00 0.00 H new ATOM 0 HG LEU A 17 3.458 10.418 1.592 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.924 11.383 -0.626 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.803 12.237 0.664 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.662 11.085 -0.386 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.413 8.980 -0.410 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.131 8.587 -0.160 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.918 8.079 1.039 1.00 0.00 H new ATOM 213 N ASP A 18 7.000 10.052 4.595 1.00 0.00 N ATOM 214 CA ASP A 18 8.189 10.038 5.439 1.00 0.00 C ATOM 215 C ASP A 18 8.074 8.969 6.522 1.00 0.00 C ATOM 216 O ASP A 18 9.032 8.247 6.801 1.00 0.00 O ATOM 217 CB ASP A 18 8.401 11.410 6.081 1.00 0.00 C ATOM 218 CG ASP A 18 9.821 11.604 6.576 1.00 0.00 C ATOM 219 OD1 ASP A 18 10.367 10.665 7.193 1.00 0.00 O ATOM 220 OD2 ASP A 18 10.386 12.694 6.349 1.00 0.00 O ATOM 0 H ASP A 18 6.658 10.985 4.365 1.00 0.00 H new ATOM 0 HA ASP A 18 9.048 9.803 4.810 1.00 0.00 H new ATOM 0 HB2 ASP A 18 8.163 12.188 5.356 1.00 0.00 H new ATOM 0 HB3 ASP A 18 7.709 11.529 6.915 1.00 0.00 H new ATOM 225 N LEU A 19 6.896 8.873 7.128 1.00 0.00 N ATOM 226 CA LEU A 19 6.655 7.893 8.182 1.00 0.00 C ATOM 227 C LEU A 19 6.890 6.475 7.670 1.00 0.00 C ATOM 228 O LEU A 19 7.683 5.722 8.238 1.00 0.00 O ATOM 229 CB LEU A 19 5.227 8.025 8.712 1.00 0.00 C ATOM 230 CG LEU A 19 4.983 7.492 10.124 1.00 0.00 C ATOM 231 CD1 LEU A 19 3.798 8.198 10.764 1.00 0.00 C ATOM 232 CD2 LEU A 19 4.757 5.987 10.095 1.00 0.00 C ATOM 0 H LEU A 19 6.093 9.462 6.908 1.00 0.00 H new ATOM 0 HA LEU A 19 7.356 8.089 8.993 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.949 9.079 8.690 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.557 7.504 8.028 1.00 0.00 H new ATOM 0 HG LEU A 19 5.869 7.695 10.726 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.640 7.805 11.768 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.999 9.268 10.820 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.905 8.028 10.163 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.585 5.625 11.109 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.888 5.761 9.477 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.636 5.495 9.678 1.00 0.00 H new ATOM 244 N LEU A 20 6.199 6.118 6.593 1.00 0.00 N ATOM 245 CA LEU A 20 6.334 4.791 6.002 1.00 0.00 C ATOM 246 C LEU A 20 7.802 4.442 5.778 1.00 0.00 C ATOM 247 O LEU A 20 8.286 3.417 6.257 1.00 0.00 O ATOM 248 CB LEU A 20 5.573 4.722 4.677 1.00 0.00 C ATOM 249 CG LEU A 20 4.049 4.647 4.781 1.00 0.00 C ATOM 250 CD1 LEU A 20 3.402 5.133 3.494 1.00 0.00 C ATOM 251 CD2 LEU A 20 3.606 3.227 5.100 1.00 0.00 C ATOM 0 H LEU A 20 5.539 6.729 6.111 1.00 0.00 H new ATOM 0 HA LEU A 20 5.909 4.066 6.696 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.834 5.599 4.085 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.923 3.850 4.125 1.00 0.00 H new ATOM 0 HG LEU A 20 3.727 5.298 5.594 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.318 5.072 3.586 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.693 6.167 3.308 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.731 4.509 2.663 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.519 3.192 5.170 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.940 2.555 4.309 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.041 2.915 6.049 1.00 0.00 H new ATOM 263 N ALA A 21 8.505 5.302 5.049 1.00 0.00 N ATOM 264 CA ALA A 21 9.918 5.086 4.765 1.00 0.00 C ATOM 265 C ALA A 21 10.641 4.515 5.980 1.00 0.00 C ATOM 266 O ALA A 21 11.418 3.567 5.863 1.00 0.00 O ATOM 267 CB ALA A 21 10.572 6.387 4.322 1.00 0.00 C ATOM 0 H ALA A 21 8.119 6.155 4.644 1.00 0.00 H new ATOM 0 HA ALA A 21 9.994 4.360 3.956 1.00 0.00 H new ATOM 0 HB1 ALA A 21 11.627 6.211 4.113 1.00 0.00 H new ATOM 0 HB2 ALA A 21 10.080 6.753 3.421 1.00 0.00 H new ATOM 0 HB3 ALA A 21 10.478 7.130 5.114 1.00 0.00 H new ATOM 273 N SER A 22 10.382 5.099 7.146 1.00 0.00 N ATOM 274 CA SER A 22 11.011 4.650 8.382 1.00 0.00 C ATOM 275 C SER A 22 10.351 3.375 8.897 1.00 0.00 C ATOM 276 O SER A 22 11.023 2.477 9.405 1.00 0.00 O ATOM 277 CB SER A 22 10.930 5.746 9.447 1.00 0.00 C ATOM 278 OG SER A 22 11.976 6.688 9.290 1.00 0.00 O ATOM 0 H SER A 22 9.741 5.884 7.260 1.00 0.00 H new ATOM 0 HA SER A 22 12.058 4.435 8.170 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.967 6.252 9.379 1.00 0.00 H new ATOM 0 HB3 SER A 22 10.986 5.298 10.439 1.00 0.00 H new ATOM 0 HG SER A 22 11.901 7.379 9.981 1.00 0.00 H new ATOM 284 N MET A 23 9.031 3.303 8.760 1.00 0.00 N ATOM 285 CA MET A 23 8.280 2.137 9.210 1.00 0.00 C ATOM 286 C MET A 23 8.924 0.848 8.708 1.00 0.00 C ATOM 287 O MET A 23 8.973 -0.152 9.424 1.00 0.00 O ATOM 288 CB MET A 23 6.831 2.219 8.725 1.00 0.00 C ATOM 289 CG MET A 23 5.953 3.117 9.582 1.00 0.00 C ATOM 290 SD MET A 23 5.556 2.380 11.179 1.00 0.00 S ATOM 291 CE MET A 23 4.296 1.199 10.702 1.00 0.00 C ATOM 0 H MET A 23 8.460 4.037 8.342 1.00 0.00 H new ATOM 0 HA MET A 23 8.291 2.127 10.300 1.00 0.00 H new ATOM 0 HB2 MET A 23 6.820 2.586 7.699 1.00 0.00 H new ATOM 0 HB3 MET A 23 6.405 1.216 8.709 1.00 0.00 H new ATOM 0 HG2 MET A 23 6.460 4.069 9.741 1.00 0.00 H new ATOM 0 HG3 MET A 23 5.029 3.333 9.046 1.00 0.00 H new ATOM 0 HE1 MET A 23 3.323 1.545 11.049 1.00 0.00 H new ATOM 0 HE2 MET A 23 4.281 1.102 9.616 1.00 0.00 H new ATOM 0 HE3 MET A 23 4.517 0.230 11.150 1.00 0.00 H new ATOM 301 N PHE A 24 9.415 0.879 7.474 1.00 0.00 N ATOM 302 CA PHE A 24 10.055 -0.287 6.877 1.00 0.00 C ATOM 303 C PHE A 24 11.564 -0.086 6.771 1.00 0.00 C ATOM 304 O PHE A 24 12.095 0.286 5.724 1.00 0.00 O ATOM 305 CB PHE A 24 9.468 -0.563 5.491 1.00 0.00 C ATOM 306 CG PHE A 24 8.013 -0.934 5.519 1.00 0.00 C ATOM 307 CD1 PHE A 24 7.034 0.046 5.498 1.00 0.00 C ATOM 308 CD2 PHE A 24 7.624 -2.263 5.566 1.00 0.00 C ATOM 309 CE1 PHE A 24 5.695 -0.293 5.525 1.00 0.00 C ATOM 310 CE2 PHE A 24 6.286 -2.608 5.592 1.00 0.00 C ATOM 311 CZ PHE A 24 5.320 -1.621 5.571 1.00 0.00 C ATOM 0 H PHE A 24 9.382 1.699 6.868 1.00 0.00 H new ATOM 0 HA PHE A 24 9.865 -1.144 7.523 1.00 0.00 H new ATOM 0 HB2 PHE A 24 9.597 0.322 4.868 1.00 0.00 H new ATOM 0 HB3 PHE A 24 10.031 -1.369 5.021 1.00 0.00 H new ATOM 0 HD1 PHE A 24 7.321 1.087 5.460 1.00 0.00 H new ATOM 0 HD2 PHE A 24 8.375 -3.039 5.583 1.00 0.00 H new ATOM 0 HE1 PHE A 24 4.942 0.481 5.510 1.00 0.00 H new ATOM 0 HE2 PHE A 24 5.996 -3.648 5.629 1.00 0.00 H new ATOM 0 HZ PHE A 24 4.274 -1.887 5.591 1.00 0.00 H new ATOM 357 N ASN A 28 15.350 -3.199 0.615 1.00 0.00 N ATOM 358 CA ASN A 28 14.562 -3.681 -0.514 1.00 0.00 C ATOM 359 C ASN A 28 13.161 -4.085 -0.066 1.00 0.00 C ATOM 360 O ASN A 28 12.710 -5.198 -0.336 1.00 0.00 O ATOM 361 CB ASN A 28 15.260 -4.869 -1.180 1.00 0.00 C ATOM 362 CG ASN A 28 16.747 -4.638 -1.362 1.00 0.00 C ATOM 363 OD1 ASN A 28 17.168 -3.590 -1.853 1.00 0.00 O ATOM 364 ND2 ASN A 28 17.551 -5.618 -0.967 1.00 0.00 N ATOM 0 HA ASN A 28 14.473 -2.869 -1.236 1.00 0.00 H new ATOM 0 HB2 ASN A 28 15.105 -5.763 -0.576 1.00 0.00 H new ATOM 0 HB3 ASN A 28 14.803 -5.058 -2.151 1.00 0.00 H new ATOM 0 HD21 ASN A 28 18.561 -5.519 -1.065 1.00 0.00 H new ATOM 0 HD22 ASN A 28 17.158 -6.469 -0.565 1.00 0.00 H new ATOM 371 N GLU A 29 12.478 -3.173 0.618 1.00 0.00 N ATOM 372 CA GLU A 29 11.128 -3.435 1.103 1.00 0.00 C ATOM 373 C GLU A 29 10.121 -2.494 0.447 1.00 0.00 C ATOM 374 O GLU A 29 9.007 -2.896 0.110 1.00 0.00 O ATOM 375 CB GLU A 29 11.070 -3.282 2.625 1.00 0.00 C ATOM 376 CG GLU A 29 11.716 -2.004 3.133 1.00 0.00 C ATOM 377 CD GLU A 29 10.840 -0.784 2.924 1.00 0.00 C ATOM 378 OE1 GLU A 29 9.620 -0.959 2.722 1.00 0.00 O ATOM 379 OE2 GLU A 29 11.374 0.344 2.963 1.00 0.00 O ATOM 0 H GLU A 29 12.837 -2.247 0.849 1.00 0.00 H new ATOM 0 HA GLU A 29 10.867 -4.460 0.838 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.028 -3.304 2.945 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.564 -4.137 3.087 1.00 0.00 H new ATOM 0 HG2 GLU A 29 11.937 -2.110 4.195 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.668 -1.855 2.623 1.00 0.00 H new ATOM 386 N LEU A 30 10.522 -1.240 0.270 1.00 0.00 N ATOM 387 CA LEU A 30 9.656 -0.240 -0.345 1.00 0.00 C ATOM 388 C LEU A 30 10.416 0.569 -1.391 1.00 0.00 C ATOM 389 O LEU A 30 11.537 1.017 -1.149 1.00 0.00 O ATOM 390 CB LEU A 30 9.084 0.694 0.723 1.00 0.00 C ATOM 391 CG LEU A 30 8.647 2.078 0.240 1.00 0.00 C ATOM 392 CD1 LEU A 30 7.441 2.562 1.029 1.00 0.00 C ATOM 393 CD2 LEU A 30 9.796 3.069 0.354 1.00 0.00 C ATOM 0 H LEU A 30 11.441 -0.892 0.543 1.00 0.00 H new ATOM 0 HA LEU A 30 8.836 -0.760 -0.840 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.226 0.204 1.184 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.834 0.824 1.503 1.00 0.00 H new ATOM 0 HG LEU A 30 8.361 2.003 -0.809 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.144 3.548 0.672 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.615 1.864 0.895 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.698 2.622 2.087 1.00 0.00 H new ATOM 0 HD21 LEU A 30 9.468 4.048 0.006 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.113 3.141 1.395 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.632 2.729 -0.257 1.00 0.00 H new ATOM 405 N ILE A 31 9.797 0.753 -2.552 1.00 0.00 N ATOM 406 CA ILE A 31 10.414 1.512 -3.634 1.00 0.00 C ATOM 407 C ILE A 31 9.454 2.559 -4.188 1.00 0.00 C ATOM 408 O ILE A 31 8.311 2.252 -4.526 1.00 0.00 O ATOM 409 CB ILE A 31 10.868 0.589 -4.780 1.00 0.00 C ATOM 410 CG1 ILE A 31 11.960 -0.366 -4.294 1.00 0.00 C ATOM 411 CG2 ILE A 31 11.364 1.414 -5.959 1.00 0.00 C ATOM 412 CD1 ILE A 31 11.422 -1.666 -3.739 1.00 0.00 C ATOM 0 H ILE A 31 8.870 0.388 -2.768 1.00 0.00 H new ATOM 0 HA ILE A 31 11.287 2.011 -3.213 1.00 0.00 H new ATOM 0 HB ILE A 31 10.014 -0.004 -5.109 1.00 0.00 H new ATOM 0 HG12 ILE A 31 12.635 -0.585 -5.122 1.00 0.00 H new ATOM 0 HG13 ILE A 31 12.551 0.131 -3.525 1.00 0.00 H new ATOM 0 HG21 ILE A 31 11.682 0.748 -6.761 1.00 0.00 H new ATOM 0 HG22 ILE A 31 10.560 2.056 -6.318 1.00 0.00 H new ATOM 0 HG23 ILE A 31 12.207 2.029 -5.644 1.00 0.00 H new ATOM 0 HD11 ILE A 31 12.252 -2.294 -3.414 1.00 0.00 H new ATOM 0 HD12 ILE A 31 10.770 -1.457 -2.891 1.00 0.00 H new ATOM 0 HD13 ILE A 31 10.856 -2.185 -4.512 1.00 0.00 H new ATOM 424 N VAL A 32 9.928 3.798 -4.281 1.00 0.00 N ATOM 425 CA VAL A 32 9.113 4.891 -4.797 1.00 0.00 C ATOM 426 C VAL A 32 9.532 5.267 -6.214 1.00 0.00 C ATOM 427 O VAL A 32 10.509 5.988 -6.412 1.00 0.00 O ATOM 428 CB VAL A 32 9.209 6.137 -3.897 1.00 0.00 C ATOM 429 CG1 VAL A 32 10.649 6.375 -3.467 1.00 0.00 C ATOM 430 CG2 VAL A 32 8.650 7.356 -4.614 1.00 0.00 C ATOM 0 H VAL A 32 10.872 4.069 -4.006 1.00 0.00 H new ATOM 0 HA VAL A 32 8.081 4.539 -4.807 1.00 0.00 H new ATOM 0 HB VAL A 32 8.611 5.965 -3.002 1.00 0.00 H new ATOM 0 HG11 VAL A 32 10.698 7.259 -2.832 1.00 0.00 H new ATOM 0 HG12 VAL A 32 11.011 5.509 -2.912 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.272 6.527 -4.349 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.726 8.227 -3.963 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.219 7.534 -5.527 1.00 0.00 H new ATOM 0 HG23 VAL A 32 7.604 7.182 -4.867 1.00 0.00 H new ATOM 440 N ASN A 33 8.786 4.774 -7.197 1.00 0.00 N ATOM 441 CA ASN A 33 9.081 5.058 -8.597 1.00 0.00 C ATOM 442 C ASN A 33 9.203 6.560 -8.832 1.00 0.00 C ATOM 443 O ASN A 33 10.222 7.040 -9.330 1.00 0.00 O ATOM 444 CB ASN A 33 7.990 4.476 -9.497 1.00 0.00 C ATOM 445 CG ASN A 33 8.525 4.045 -10.849 1.00 0.00 C ATOM 446 OD1 ASN A 33 8.766 4.874 -11.727 1.00 0.00 O ATOM 447 ND2 ASN A 33 8.713 2.742 -11.023 1.00 0.00 N ATOM 0 H ASN A 33 7.973 4.176 -7.050 1.00 0.00 H new ATOM 0 HA ASN A 33 10.034 4.591 -8.845 1.00 0.00 H new ATOM 0 HB2 ASN A 33 7.532 3.620 -9.001 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.206 5.219 -9.640 1.00 0.00 H new ATOM 0 HD21 ASN A 33 9.071 2.393 -11.912 1.00 0.00 H new ATOM 0 HD22 ASN A 33 8.500 2.091 -10.268 1.00 0.00 H new ATOM 454 N ASP A 34 8.159 7.297 -8.471 1.00 0.00 N ATOM 455 CA ASP A 34 8.149 8.746 -8.641 1.00 0.00 C ATOM 456 C ASP A 34 8.694 9.442 -7.398 1.00 0.00 C ATOM 457 O ASP A 34 7.933 9.971 -6.588 1.00 0.00 O ATOM 458 CB ASP A 34 6.731 9.236 -8.935 1.00 0.00 C ATOM 459 CG ASP A 34 6.717 10.583 -9.631 1.00 0.00 C ATOM 460 OD1 ASP A 34 7.705 11.334 -9.490 1.00 0.00 O ATOM 461 OD2 ASP A 34 5.718 10.887 -10.316 1.00 0.00 O ATOM 0 H ASP A 34 7.308 6.915 -8.058 1.00 0.00 H new ATOM 0 HA ASP A 34 8.793 8.993 -9.485 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.218 8.503 -9.558 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.173 9.307 -8.001 1.00 0.00 H new ATOM 466 N GLN A 35 10.015 9.437 -7.254 1.00 0.00 N ATOM 467 CA GLN A 35 10.661 10.067 -6.109 1.00 0.00 C ATOM 468 C GLN A 35 10.514 11.584 -6.167 1.00 0.00 C ATOM 469 O GLN A 35 10.259 12.233 -5.152 1.00 0.00 O ATOM 470 CB GLN A 35 12.142 9.688 -6.059 1.00 0.00 C ATOM 471 CG GLN A 35 12.900 10.343 -4.916 1.00 0.00 C ATOM 472 CD GLN A 35 12.900 9.499 -3.657 1.00 0.00 C ATOM 473 OE1 GLN A 35 11.725 9.314 -3.067 1.00 0.00 O flip ATOM 474 NE2 GLN A 35 13.946 9.019 -3.217 1.00 0.00 N flip ATOM 0 H GLN A 35 10.659 9.004 -7.916 1.00 0.00 H new ATOM 0 HA GLN A 35 10.171 9.707 -5.205 1.00 0.00 H new ATOM 0 HB2 GLN A 35 12.228 8.605 -5.968 1.00 0.00 H new ATOM 0 HB3 GLN A 35 12.612 9.967 -7.002 1.00 0.00 H new ATOM 0 HG2 GLN A 35 13.929 10.527 -5.226 1.00 0.00 H new ATOM 0 HG3 GLN A 35 12.454 11.314 -4.698 1.00 0.00 H new ATOM 0 HE21 GLN A 35 14.828 9.186 -3.702 1.00 0.00 H new ATOM 0 HE22 GLN A 35 13.930 8.454 -2.368 1.00 0.00 H new ATOM 483 N LEU A 36 10.677 12.143 -7.361 1.00 0.00 N ATOM 484 CA LEU A 36 10.563 13.585 -7.553 1.00 0.00 C ATOM 485 C LEU A 36 9.247 14.107 -6.984 1.00 0.00 C ATOM 486 O LEU A 36 9.215 15.142 -6.318 1.00 0.00 O ATOM 487 CB LEU A 36 10.662 13.931 -9.039 1.00 0.00 C ATOM 488 CG LEU A 36 10.346 15.380 -9.414 1.00 0.00 C ATOM 489 CD1 LEU A 36 11.525 16.284 -9.089 1.00 0.00 C ATOM 490 CD2 LEU A 36 9.982 15.483 -10.888 1.00 0.00 C ATOM 0 H LEU A 36 10.888 11.620 -8.211 1.00 0.00 H new ATOM 0 HA LEU A 36 11.384 14.064 -7.020 1.00 0.00 H new ATOM 0 HB2 LEU A 36 11.672 13.701 -9.378 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.984 13.278 -9.589 1.00 0.00 H new ATOM 0 HG LEU A 36 9.489 15.709 -8.826 1.00 0.00 H new ATOM 0 HD11 LEU A 36 11.282 17.311 -9.362 1.00 0.00 H new ATOM 0 HD12 LEU A 36 11.739 16.234 -8.021 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.400 15.956 -9.650 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.760 16.521 -11.136 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.818 15.135 -11.494 1.00 0.00 H new ATOM 0 HD23 LEU A 36 9.106 14.867 -11.090 1.00 0.00 H new ATOM 502 N ALA A 37 8.165 13.383 -7.249 1.00 0.00 N ATOM 503 CA ALA A 37 6.848 13.771 -6.760 1.00 0.00 C ATOM 504 C ALA A 37 6.919 14.253 -5.314 1.00 0.00 C ATOM 505 O ALA A 37 6.245 15.211 -4.935 1.00 0.00 O ATOM 506 CB ALA A 37 5.875 12.608 -6.883 1.00 0.00 C ATOM 0 H ALA A 37 8.174 12.524 -7.800 1.00 0.00 H new ATOM 0 HA ALA A 37 6.489 14.597 -7.374 1.00 0.00 H new ATOM 0 HB1 ALA A 37 4.896 12.912 -6.514 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.793 12.311 -7.929 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.239 11.766 -6.295 1.00 0.00 H new ATOM 512 N VAL A 38 7.738 13.581 -4.511 1.00 0.00 N ATOM 513 CA VAL A 38 7.898 13.941 -3.107 1.00 0.00 C ATOM 514 C VAL A 38 8.695 15.232 -2.958 1.00 0.00 C ATOM 515 O VAL A 38 8.223 16.199 -2.362 1.00 0.00 O ATOM 516 CB VAL A 38 8.601 12.822 -2.318 1.00 0.00 C ATOM 517 CG1 VAL A 38 8.816 13.242 -0.872 1.00 0.00 C ATOM 518 CG2 VAL A 38 7.798 11.532 -2.392 1.00 0.00 C ATOM 0 H VAL A 38 8.301 12.784 -4.809 1.00 0.00 H new ATOM 0 HA VAL A 38 6.897 14.087 -2.701 1.00 0.00 H new ATOM 0 HB VAL A 38 9.577 12.642 -2.769 1.00 0.00 H new ATOM 0 HG11 VAL A 38 9.314 12.438 -0.330 1.00 0.00 H new ATOM 0 HG12 VAL A 38 9.435 14.138 -0.842 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.853 13.451 -0.407 1.00 0.00 H new ATOM 0 HG21 VAL A 38 8.310 10.752 -1.829 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.807 11.695 -1.968 1.00 0.00 H new ATOM 0 HG23 VAL A 38 7.701 11.223 -3.433 1.00 0.00 H new ATOM 528 N ALA A 39 9.907 15.239 -3.504 1.00 0.00 N ATOM 529 CA ALA A 39 10.769 16.412 -3.434 1.00 0.00 C ATOM 530 C ALA A 39 9.998 17.682 -3.774 1.00 0.00 C ATOM 531 O ALA A 39 10.009 18.648 -3.012 1.00 0.00 O ATOM 532 CB ALA A 39 11.959 16.249 -4.369 1.00 0.00 C ATOM 0 H ALA A 39 10.314 14.446 -3.999 1.00 0.00 H new ATOM 0 HA ALA A 39 11.134 16.503 -2.411 1.00 0.00 H new ATOM 0 HB1 ALA A 39 12.594 17.132 -4.307 1.00 0.00 H new ATOM 0 HB2 ALA A 39 12.532 15.369 -4.078 1.00 0.00 H new ATOM 0 HB3 ALA A 39 11.604 16.129 -5.393 1.00 0.00 H new ATOM 538 N GLU A 40 9.328 17.673 -4.923 1.00 0.00 N ATOM 539 CA GLU A 40 8.553 18.827 -5.363 1.00 0.00 C ATOM 540 C GLU A 40 7.434 19.140 -4.373 1.00 0.00 C ATOM 541 O GLU A 40 7.160 20.304 -4.077 1.00 0.00 O ATOM 542 CB GLU A 40 7.963 18.573 -6.752 1.00 0.00 C ATOM 543 CG GLU A 40 8.985 18.661 -7.873 1.00 0.00 C ATOM 544 CD GLU A 40 8.353 18.974 -9.215 1.00 0.00 C ATOM 545 OE1 GLU A 40 7.118 18.833 -9.336 1.00 0.00 O ATOM 546 OE2 GLU A 40 9.093 19.359 -10.144 1.00 0.00 O ATOM 0 H GLU A 40 9.307 16.880 -5.565 1.00 0.00 H new ATOM 0 HA GLU A 40 9.223 19.686 -5.412 1.00 0.00 H new ATOM 0 HB2 GLU A 40 7.504 17.585 -6.767 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.169 19.296 -6.938 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.718 19.431 -7.632 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.526 17.717 -7.942 1.00 0.00 H new ATOM 553 N LEU A 41 6.792 18.094 -3.865 1.00 0.00 N ATOM 554 CA LEU A 41 5.702 18.257 -2.909 1.00 0.00 C ATOM 555 C LEU A 41 6.179 18.991 -1.660 1.00 0.00 C ATOM 556 O LEU A 41 5.577 19.979 -1.240 1.00 0.00 O ATOM 557 CB LEU A 41 5.128 16.892 -2.524 1.00 0.00 C ATOM 558 CG LEU A 41 4.093 16.893 -1.398 1.00 0.00 C ATOM 559 CD1 LEU A 41 2.751 17.395 -1.907 1.00 0.00 C ATOM 560 CD2 LEU A 41 3.952 15.499 -0.803 1.00 0.00 C ATOM 0 H LEU A 41 7.007 17.125 -4.099 1.00 0.00 H new ATOM 0 HA LEU A 41 4.922 18.853 -3.382 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.672 16.449 -3.409 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.953 16.242 -2.232 1.00 0.00 H new ATOM 0 HG LEU A 41 4.437 17.568 -0.615 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.027 17.389 -1.092 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.862 18.411 -2.285 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.400 16.746 -2.709 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.212 15.518 -0.003 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.631 14.803 -1.578 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.912 15.176 -0.401 1.00 0.00 H new ATOM 572 N LYS A 42 7.265 18.502 -1.071 1.00 0.00 N ATOM 573 CA LYS A 42 7.826 19.113 0.128 1.00 0.00 C ATOM 574 C LYS A 42 7.982 20.619 -0.051 1.00 0.00 C ATOM 575 O LYS A 42 7.608 21.400 0.825 1.00 0.00 O ATOM 576 CB LYS A 42 9.182 18.484 0.459 1.00 0.00 C ATOM 577 CG LYS A 42 9.075 17.133 1.145 1.00 0.00 C ATOM 578 CD LYS A 42 10.317 16.290 0.912 1.00 0.00 C ATOM 579 CE LYS A 42 10.467 15.213 1.976 1.00 0.00 C ATOM 580 NZ LYS A 42 10.791 15.791 3.309 1.00 0.00 N ATOM 0 H LYS A 42 7.774 17.684 -1.405 1.00 0.00 H new ATOM 0 HA LYS A 42 7.138 18.933 0.954 1.00 0.00 H new ATOM 0 HB2 LYS A 42 9.755 18.370 -0.461 1.00 0.00 H new ATOM 0 HB3 LYS A 42 9.742 19.165 1.101 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.928 17.278 2.215 1.00 0.00 H new ATOM 0 HG3 LYS A 42 8.199 16.603 0.772 1.00 0.00 H new ATOM 0 HD2 LYS A 42 10.263 15.825 -0.073 1.00 0.00 H new ATOM 0 HD3 LYS A 42 11.199 16.931 0.914 1.00 0.00 H new ATOM 0 HE2 LYS A 42 9.543 14.639 2.044 1.00 0.00 H new ATOM 0 HE3 LYS A 42 11.253 14.518 1.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 11.242 15.065 3.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 11.441 16.594 3.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 9.917 16.118 3.767 1.00 0.00 H new ATOM 594 N ASP A 43 8.536 21.021 -1.190 1.00 0.00 N ATOM 595 CA ASP A 43 8.739 22.435 -1.484 1.00 0.00 C ATOM 596 C ASP A 43 7.425 23.204 -1.389 1.00 0.00 C ATOM 597 O ASP A 43 7.306 24.157 -0.618 1.00 0.00 O ATOM 598 CB ASP A 43 9.344 22.605 -2.879 1.00 0.00 C ATOM 599 CG ASP A 43 10.221 23.837 -2.982 1.00 0.00 C ATOM 600 OD1 ASP A 43 10.724 24.297 -1.936 1.00 0.00 O ATOM 601 OD2 ASP A 43 10.404 24.343 -4.110 1.00 0.00 O ATOM 0 H ASP A 43 8.852 20.388 -1.924 1.00 0.00 H new ATOM 0 HA ASP A 43 9.430 22.840 -0.744 1.00 0.00 H new ATOM 0 HB2 ASP A 43 9.932 21.722 -3.127 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.542 22.671 -3.614 1.00 0.00 H new ATOM 606 N CYS A 44 6.442 22.785 -2.179 1.00 0.00 N ATOM 607 CA CYS A 44 5.136 23.436 -2.185 1.00 0.00 C ATOM 608 C CYS A 44 4.758 23.908 -0.785 1.00 0.00 C ATOM 609 O CYS A 44 4.457 25.084 -0.577 1.00 0.00 O ATOM 610 CB CYS A 44 4.069 22.479 -2.720 1.00 0.00 C ATOM 611 SG CYS A 44 4.353 21.933 -4.420 1.00 0.00 S ATOM 0 H CYS A 44 6.524 21.998 -2.823 1.00 0.00 H new ATOM 0 HA CYS A 44 5.193 24.306 -2.839 1.00 0.00 H new ATOM 0 HB2 CYS A 44 4.023 21.604 -2.072 1.00 0.00 H new ATOM 0 HB3 CYS A 44 3.097 22.968 -2.665 1.00 0.00 H new ATOM 0 HG CYS A 44 5.459 21.252 -4.478 1.00 0.00 H new ATOM 617 N ILE A 45 4.773 22.985 0.170 1.00 0.00 N ATOM 618 CA ILE A 45 4.430 23.308 1.549 1.00 0.00 C ATOM 619 C ILE A 45 5.129 24.584 2.005 1.00 0.00 C ATOM 620 O ILE A 45 4.479 25.559 2.379 1.00 0.00 O ATOM 621 CB ILE A 45 4.806 22.160 2.506 1.00 0.00 C ATOM 622 CG1 ILE A 45 4.007 20.901 2.166 1.00 0.00 C ATOM 623 CG2 ILE A 45 4.565 22.574 3.950 1.00 0.00 C ATOM 624 CD1 ILE A 45 4.604 19.634 2.736 1.00 0.00 C ATOM 0 H ILE A 45 5.019 22.007 0.014 1.00 0.00 H new ATOM 0 HA ILE A 45 3.351 23.457 1.579 1.00 0.00 H new ATOM 0 HB ILE A 45 5.866 21.938 2.385 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.990 21.014 2.541 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.939 20.805 1.082 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.835 21.753 4.614 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.175 23.446 4.185 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.512 22.820 4.087 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.985 18.782 2.455 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.611 19.497 2.342 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.647 19.709 3.823 1.00 0.00 H new ATOM 636 N GLU A 46 6.458 24.570 1.969 1.00 0.00 N ATOM 637 CA GLU A 46 7.245 25.728 2.378 1.00 0.00 C ATOM 638 C GLU A 46 6.892 26.950 1.535 1.00 0.00 C ATOM 639 O GLU A 46 6.717 28.051 2.060 1.00 0.00 O ATOM 640 CB GLU A 46 8.740 25.425 2.256 1.00 0.00 C ATOM 641 CG GLU A 46 9.309 24.677 3.450 1.00 0.00 C ATOM 642 CD GLU A 46 10.824 24.726 3.500 1.00 0.00 C ATOM 643 OE1 GLU A 46 11.466 24.034 2.683 1.00 0.00 O ATOM 644 OE2 GLU A 46 11.366 25.455 4.357 1.00 0.00 O ATOM 0 H GLU A 46 7.012 23.771 1.661 1.00 0.00 H new ATOM 0 HA GLU A 46 7.010 25.946 3.420 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.910 24.837 1.354 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.283 26.362 2.132 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.905 25.104 4.368 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.984 23.637 3.412 1.00 0.00 H new ATOM 783 N SER A 55 2.608 15.943 -10.536 1.00 0.00 N ATOM 784 CA SER A 55 2.994 14.537 -10.511 1.00 0.00 C ATOM 785 C SER A 55 2.357 13.820 -9.324 1.00 0.00 C ATOM 786 O SER A 55 2.421 14.295 -8.190 1.00 0.00 O ATOM 787 CB SER A 55 4.516 14.404 -10.445 1.00 0.00 C ATOM 788 OG SER A 55 5.095 14.522 -11.733 1.00 0.00 O ATOM 0 HA SER A 55 2.636 14.072 -11.429 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.923 15.173 -9.788 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.781 13.440 -10.011 1.00 0.00 H new ATOM 0 HG SER A 55 6.069 14.435 -11.663 1.00 0.00 H new ATOM 794 N LYS A 56 1.742 12.673 -9.594 1.00 0.00 N ATOM 795 CA LYS A 56 1.094 11.888 -8.550 1.00 0.00 C ATOM 796 C LYS A 56 2.114 11.046 -7.791 1.00 0.00 C ATOM 797 O LYS A 56 3.037 10.486 -8.384 1.00 0.00 O ATOM 798 CB LYS A 56 0.020 10.983 -9.157 1.00 0.00 C ATOM 799 CG LYS A 56 -1.351 11.633 -9.232 1.00 0.00 C ATOM 800 CD LYS A 56 -2.321 10.797 -10.051 1.00 0.00 C ATOM 801 CE LYS A 56 -3.484 11.633 -10.562 1.00 0.00 C ATOM 802 NZ LYS A 56 -3.100 12.455 -11.742 1.00 0.00 N ATOM 0 H LYS A 56 1.679 12.267 -10.527 1.00 0.00 H new ATOM 0 HA LYS A 56 0.625 12.578 -7.849 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.329 10.689 -10.160 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.052 10.071 -8.565 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.746 11.768 -8.225 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.261 12.625 -9.675 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -1.795 10.350 -10.894 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.701 9.977 -9.441 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.312 10.977 -10.830 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -3.840 12.286 -9.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -3.701 13.303 -11.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -2.104 12.741 -11.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -3.227 11.897 -12.610 1.00 0.00 H new ATOM 816 N VAL A 57 1.941 10.958 -6.476 1.00 0.00 N ATOM 817 CA VAL A 57 2.844 10.181 -5.636 1.00 0.00 C ATOM 818 C VAL A 57 2.686 8.687 -5.894 1.00 0.00 C ATOM 819 O VAL A 57 1.797 8.041 -5.337 1.00 0.00 O ATOM 820 CB VAL A 57 2.602 10.462 -4.141 1.00 0.00 C ATOM 821 CG1 VAL A 57 3.511 9.597 -3.281 1.00 0.00 C ATOM 822 CG2 VAL A 57 2.810 11.937 -3.835 1.00 0.00 C ATOM 0 H VAL A 57 1.183 11.416 -5.969 1.00 0.00 H new ATOM 0 HA VAL A 57 3.858 10.486 -5.895 1.00 0.00 H new ATOM 0 HB VAL A 57 1.569 10.208 -3.904 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.326 9.809 -2.228 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.307 8.545 -3.480 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.552 9.816 -3.518 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.635 12.117 -2.774 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.832 12.220 -4.087 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.113 12.533 -4.424 1.00 0.00 H new ATOM 832 N TYR A 58 3.554 8.143 -6.739 1.00 0.00 N ATOM 833 CA TYR A 58 3.509 6.724 -7.073 1.00 0.00 C ATOM 834 C TYR A 58 4.652 5.970 -6.400 1.00 0.00 C ATOM 835 O TYR A 58 5.824 6.194 -6.705 1.00 0.00 O ATOM 836 CB TYR A 58 3.580 6.533 -8.589 1.00 0.00 C ATOM 837 CG TYR A 58 3.626 5.082 -9.014 1.00 0.00 C ATOM 838 CD1 TYR A 58 2.745 4.152 -8.477 1.00 0.00 C ATOM 839 CD2 TYR A 58 4.549 4.643 -9.956 1.00 0.00 C ATOM 840 CE1 TYR A 58 2.784 2.826 -8.862 1.00 0.00 C ATOM 841 CE2 TYR A 58 4.594 3.319 -10.348 1.00 0.00 C ATOM 842 CZ TYR A 58 3.709 2.415 -9.798 1.00 0.00 C ATOM 843 OH TYR A 58 3.750 1.095 -10.186 1.00 0.00 O ATOM 0 H TYR A 58 4.297 8.663 -7.205 1.00 0.00 H new ATOM 0 HA TYR A 58 2.565 6.320 -6.706 1.00 0.00 H new ATOM 0 HB2 TYR A 58 2.714 7.010 -9.048 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.465 7.043 -8.970 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.017 4.471 -7.746 1.00 0.00 H new ATOM 0 HD2 TYR A 58 5.243 5.349 -10.389 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.094 2.115 -8.432 1.00 0.00 H new ATOM 0 HE2 TYR A 58 5.318 2.994 -11.081 1.00 0.00 H new ATOM 0 HH TYR A 58 4.458 0.972 -10.853 1.00 0.00 H new ATOM 853 N PHE A 59 4.303 5.076 -5.482 1.00 0.00 N ATOM 854 CA PHE A 59 5.298 4.288 -4.764 1.00 0.00 C ATOM 855 C PHE A 59 4.825 2.848 -4.583 1.00 0.00 C ATOM 856 O PHE A 59 3.703 2.602 -4.138 1.00 0.00 O ATOM 857 CB PHE A 59 5.589 4.916 -3.399 1.00 0.00 C ATOM 858 CG PHE A 59 4.365 5.089 -2.546 1.00 0.00 C ATOM 859 CD1 PHE A 59 3.400 6.027 -2.878 1.00 0.00 C ATOM 860 CD2 PHE A 59 4.179 4.315 -1.412 1.00 0.00 C ATOM 861 CE1 PHE A 59 2.274 6.189 -2.094 1.00 0.00 C ATOM 862 CE2 PHE A 59 3.054 4.473 -0.625 1.00 0.00 C ATOM 863 CZ PHE A 59 2.100 5.410 -0.967 1.00 0.00 C ATOM 0 H PHE A 59 3.338 4.879 -5.217 1.00 0.00 H new ATOM 0 HA PHE A 59 6.214 4.280 -5.355 1.00 0.00 H new ATOM 0 HB2 PHE A 59 6.308 4.293 -2.867 1.00 0.00 H new ATOM 0 HB3 PHE A 59 6.059 5.888 -3.548 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.530 6.638 -3.759 1.00 0.00 H new ATOM 0 HD2 PHE A 59 4.922 3.580 -1.140 1.00 0.00 H new ATOM 0 HE1 PHE A 59 1.530 6.925 -2.362 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.921 3.864 0.257 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.219 5.534 -0.354 1.00 0.00 H new ATOM 873 N THR A 60 5.688 1.900 -4.933 1.00 0.00 N ATOM 874 CA THR A 60 5.360 0.485 -4.812 1.00 0.00 C ATOM 875 C THR A 60 5.977 -0.117 -3.555 1.00 0.00 C ATOM 876 O THR A 60 7.195 -0.086 -3.374 1.00 0.00 O ATOM 877 CB THR A 60 5.843 -0.311 -6.039 1.00 0.00 C ATOM 878 OG1 THR A 60 5.186 0.163 -7.220 1.00 0.00 O ATOM 879 CG2 THR A 60 5.569 -1.797 -5.862 1.00 0.00 C ATOM 0 H THR A 60 6.620 2.087 -5.303 1.00 0.00 H new ATOM 0 HA THR A 60 4.274 0.417 -4.749 1.00 0.00 H new ATOM 0 HB THR A 60 6.919 -0.165 -6.139 1.00 0.00 H new ATOM 0 HG1 THR A 60 5.500 -0.347 -7.996 1.00 0.00 H new ATOM 0 HG21 THR A 60 5.919 -2.339 -6.741 1.00 0.00 H new ATOM 0 HG22 THR A 60 6.094 -2.161 -4.979 1.00 0.00 H new ATOM 0 HG23 THR A 60 4.498 -1.957 -5.739 1.00 0.00 H new ATOM 887 N ILE A 61 5.130 -0.665 -2.689 1.00 0.00 N ATOM 888 CA ILE A 61 5.594 -1.276 -1.450 1.00 0.00 C ATOM 889 C ILE A 61 5.694 -2.791 -1.588 1.00 0.00 C ATOM 890 O ILE A 61 4.729 -3.455 -1.964 1.00 0.00 O ATOM 891 CB ILE A 61 4.660 -0.939 -0.273 1.00 0.00 C ATOM 892 CG1 ILE A 61 4.603 0.574 -0.055 1.00 0.00 C ATOM 893 CG2 ILE A 61 5.127 -1.645 0.992 1.00 0.00 C ATOM 894 CD1 ILE A 61 3.709 0.986 1.093 1.00 0.00 C ATOM 0 H ILE A 61 4.119 -0.698 -2.823 1.00 0.00 H new ATOM 0 HA ILE A 61 6.584 -0.867 -1.247 1.00 0.00 H new ATOM 0 HB ILE A 61 3.656 -1.290 -0.513 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.611 0.945 0.129 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.250 1.052 -0.969 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.457 -1.397 1.815 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.120 -2.723 0.831 1.00 0.00 H new ATOM 0 HG23 ILE A 61 6.138 -1.321 1.237 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.717 2.072 1.189 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.691 0.646 0.902 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.074 0.537 2.017 1.00 0.00 H new ATOM 906 N ASN A 62 6.868 -3.332 -1.278 1.00 0.00 N ATOM 907 CA ASN A 62 7.094 -4.770 -1.366 1.00 0.00 C ATOM 908 C ASN A 62 6.961 -5.426 0.004 1.00 0.00 C ATOM 909 O ASN A 62 7.672 -5.073 0.945 1.00 0.00 O ATOM 910 CB ASN A 62 8.480 -5.054 -1.948 1.00 0.00 C ATOM 911 CG ASN A 62 8.583 -4.670 -3.412 1.00 0.00 C ATOM 912 OD1 ASN A 62 9.665 -3.988 -3.769 1.00 0.00 O flip ATOM 913 ND2 ASN A 62 7.700 -4.983 -4.211 1.00 0.00 N flip ATOM 0 H ASN A 62 7.677 -2.796 -0.964 1.00 0.00 H new ATOM 0 HA ASN A 62 6.336 -5.192 -2.026 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.230 -4.505 -1.378 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.707 -6.114 -1.837 1.00 0.00 H new ATOM 0 HD21 ASN A 62 6.886 -5.508 -3.891 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.783 -4.718 -5.192 1.00 0.00 H new ATOM 920 N MET A 63 6.046 -6.384 0.109 1.00 0.00 N ATOM 921 CA MET A 63 5.821 -7.091 1.365 1.00 0.00 C ATOM 922 C MET A 63 5.887 -8.601 1.157 1.00 0.00 C ATOM 923 O MET A 63 5.002 -9.191 0.539 1.00 0.00 O ATOM 924 CB MET A 63 4.464 -6.705 1.957 1.00 0.00 C ATOM 925 CG MET A 63 4.299 -5.209 2.171 1.00 0.00 C ATOM 926 SD MET A 63 2.569 -4.706 2.246 1.00 0.00 S ATOM 927 CE MET A 63 1.945 -5.826 3.496 1.00 0.00 C ATOM 0 H MET A 63 5.449 -6.689 -0.660 1.00 0.00 H new ATOM 0 HA MET A 63 6.608 -6.802 2.062 1.00 0.00 H new ATOM 0 HB2 MET A 63 3.674 -7.059 1.295 1.00 0.00 H new ATOM 0 HB3 MET A 63 4.334 -7.217 2.910 1.00 0.00 H new ATOM 0 HG2 MET A 63 4.798 -4.921 3.096 1.00 0.00 H new ATOM 0 HG3 MET A 63 4.795 -4.673 1.362 1.00 0.00 H new ATOM 0 HE1 MET A 63 1.148 -5.338 4.057 1.00 0.00 H new ATOM 0 HE2 MET A 63 1.555 -6.724 3.018 1.00 0.00 H new ATOM 0 HE3 MET A 63 2.752 -6.099 4.176 1.00 0.00 H new ATOM 937 N ASN A 64 6.942 -9.220 1.678 1.00 0.00 N ATOM 938 CA ASN A 64 7.123 -10.662 1.549 1.00 0.00 C ATOM 939 C ASN A 64 6.354 -11.406 2.636 1.00 0.00 C ATOM 940 O ASN A 64 6.663 -11.287 3.823 1.00 0.00 O ATOM 941 CB ASN A 64 8.609 -11.018 1.623 1.00 0.00 C ATOM 942 CG ASN A 64 9.237 -10.606 2.940 1.00 0.00 C ATOM 943 OD1 ASN A 64 8.620 -9.905 3.743 1.00 0.00 O ATOM 944 ND2 ASN A 64 10.472 -11.039 3.168 1.00 0.00 N ATOM 0 H ASN A 64 7.684 -8.746 2.193 1.00 0.00 H new ATOM 0 HA ASN A 64 6.731 -10.968 0.579 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.730 -12.093 1.487 1.00 0.00 H new ATOM 0 HB3 ASN A 64 9.138 -10.531 0.803 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.947 -10.793 4.037 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.946 -11.618 2.474 1.00 0.00 H new ATOM 951 N LEU A 65 5.352 -12.175 2.224 1.00 0.00 N ATOM 952 CA LEU A 65 4.539 -12.940 3.163 1.00 0.00 C ATOM 953 C LEU A 65 4.208 -14.318 2.599 1.00 0.00 C ATOM 954 O LEU A 65 4.326 -14.552 1.395 1.00 0.00 O ATOM 955 CB LEU A 65 3.248 -12.185 3.484 1.00 0.00 C ATOM 956 CG LEU A 65 3.371 -10.665 3.597 1.00 0.00 C ATOM 957 CD1 LEU A 65 2.097 -9.990 3.113 1.00 0.00 C ATOM 958 CD2 LEU A 65 3.681 -10.260 5.030 1.00 0.00 C ATOM 0 H LEU A 65 5.083 -12.285 1.246 1.00 0.00 H new ATOM 0 HA LEU A 65 5.114 -13.071 4.080 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.515 -12.414 2.711 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.850 -12.568 4.424 1.00 0.00 H new ATOM 0 HG LEU A 65 4.195 -10.338 2.963 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.202 -8.909 3.201 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.919 -10.254 2.071 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.255 -10.323 3.721 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.765 -9.175 5.091 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.879 -10.600 5.686 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.621 -10.715 5.341 1.00 0.00 H new ATOM 970 N ASP A 66 3.793 -15.227 3.475 1.00 0.00 N ATOM 971 CA ASP A 66 3.442 -16.581 3.064 1.00 0.00 C ATOM 972 C ASP A 66 2.050 -16.615 2.439 1.00 0.00 C ATOM 973 O ASP A 66 1.191 -15.796 2.765 1.00 0.00 O ATOM 974 CB ASP A 66 3.501 -17.531 4.260 1.00 0.00 C ATOM 975 CG ASP A 66 2.573 -17.108 5.382 1.00 0.00 C ATOM 976 OD1 ASP A 66 2.762 -15.998 5.922 1.00 0.00 O ATOM 977 OD2 ASP A 66 1.658 -17.888 5.721 1.00 0.00 O ATOM 0 H ASP A 66 3.692 -15.050 4.474 1.00 0.00 H new ATOM 0 HA ASP A 66 4.165 -16.907 2.316 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.237 -18.537 3.934 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.523 -17.575 4.635 1.00 0.00 H new ATOM 982 N VAL A 67 1.835 -17.569 1.539 1.00 0.00 N ATOM 983 CA VAL A 67 0.548 -17.711 0.869 1.00 0.00 C ATOM 984 C VAL A 67 -0.027 -19.109 1.071 1.00 0.00 C ATOM 985 O VAL A 67 -1.224 -19.271 1.306 1.00 0.00 O ATOM 986 CB VAL A 67 0.667 -17.431 -0.641 1.00 0.00 C ATOM 987 CG1 VAL A 67 0.992 -15.966 -0.888 1.00 0.00 C ATOM 988 CG2 VAL A 67 1.720 -18.332 -1.268 1.00 0.00 C ATOM 0 H VAL A 67 2.535 -18.255 1.257 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.123 -16.977 1.316 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.292 -17.650 -1.110 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.072 -15.787 -1.960 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.199 -15.343 -0.474 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.938 -15.717 -0.407 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.791 -18.121 -2.335 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.685 -18.147 -0.796 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.440 -19.375 -1.122 1.00 0.00 H new ATOM 998 N SER A 68 0.836 -20.116 0.979 1.00 0.00 N ATOM 999 CA SER A 68 0.414 -21.501 1.149 1.00 0.00 C ATOM 1000 C SER A 68 1.614 -22.443 1.107 1.00 0.00 C ATOM 1001 O SER A 68 2.753 -22.008 0.938 1.00 0.00 O ATOM 1002 CB SER A 68 -0.591 -21.888 0.062 1.00 0.00 C ATOM 1003 OG SER A 68 -1.452 -22.921 0.508 1.00 0.00 O ATOM 0 H SER A 68 1.831 -19.998 0.788 1.00 0.00 H new ATOM 0 HA SER A 68 -0.064 -21.592 2.124 1.00 0.00 H new ATOM 0 HB2 SER A 68 -1.180 -21.016 -0.220 1.00 0.00 H new ATOM 0 HB3 SER A 68 -0.058 -22.215 -0.831 1.00 0.00 H new ATOM 0 HG SER A 68 -2.086 -23.149 -0.204 1.00 0.00 H new ATOM 1009 N ASP A 69 1.348 -23.736 1.261 1.00 0.00 N ATOM 1010 CA ASP A 69 2.404 -24.741 1.240 1.00 0.00 C ATOM 1011 C ASP A 69 3.692 -24.190 1.845 1.00 0.00 C ATOM 1012 O ASP A 69 4.749 -24.227 1.217 1.00 0.00 O ATOM 1013 CB ASP A 69 2.661 -25.213 -0.192 1.00 0.00 C ATOM 1014 CG ASP A 69 1.658 -26.255 -0.647 1.00 0.00 C ATOM 1015 OD1 ASP A 69 1.504 -27.277 0.055 1.00 0.00 O ATOM 1016 OD2 ASP A 69 1.025 -26.047 -1.703 1.00 0.00 O ATOM 0 H ASP A 69 0.410 -24.112 1.402 1.00 0.00 H new ATOM 0 HA ASP A 69 2.075 -25.589 1.841 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.622 -24.357 -0.866 1.00 0.00 H new ATOM 0 HB3 ASP A 69 3.667 -25.627 -0.260 1.00 0.00 H new ATOM 1021 N GLU A 70 3.593 -23.677 3.068 1.00 0.00 N ATOM 1022 CA GLU A 70 4.750 -23.116 3.756 1.00 0.00 C ATOM 1023 C GLU A 70 5.687 -22.425 2.770 1.00 0.00 C ATOM 1024 O GLU A 70 6.897 -22.655 2.780 1.00 0.00 O ATOM 1025 CB GLU A 70 5.504 -24.213 4.510 1.00 0.00 C ATOM 1026 CG GLU A 70 6.489 -23.680 5.536 1.00 0.00 C ATOM 1027 CD GLU A 70 7.427 -24.751 6.057 1.00 0.00 C ATOM 1028 OE1 GLU A 70 8.476 -24.981 5.420 1.00 0.00 O ATOM 1029 OE2 GLU A 70 7.112 -25.360 7.101 1.00 0.00 O ATOM 0 H GLU A 70 2.725 -23.638 3.602 1.00 0.00 H new ATOM 0 HA GLU A 70 4.392 -22.375 4.470 1.00 0.00 H new ATOM 0 HB2 GLU A 70 4.783 -24.858 5.012 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.041 -24.833 3.792 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.074 -22.876 5.089 1.00 0.00 H new ATOM 0 HG3 GLU A 70 5.939 -23.247 6.371 1.00 0.00 H new ATOM 1036 N LYS A 71 5.120 -21.578 1.918 1.00 0.00 N ATOM 1037 CA LYS A 71 5.902 -20.852 0.924 1.00 0.00 C ATOM 1038 C LYS A 71 5.806 -19.347 1.151 1.00 0.00 C ATOM 1039 O LYS A 71 5.061 -18.886 2.015 1.00 0.00 O ATOM 1040 CB LYS A 71 5.421 -21.198 -0.486 1.00 0.00 C ATOM 1041 CG LYS A 71 6.149 -22.380 -1.104 1.00 0.00 C ATOM 1042 CD LYS A 71 7.377 -21.934 -1.880 1.00 0.00 C ATOM 1043 CE LYS A 71 6.996 -21.273 -3.196 1.00 0.00 C ATOM 1044 NZ LYS A 71 6.824 -22.271 -4.288 1.00 0.00 N ATOM 0 H LYS A 71 4.120 -21.377 1.896 1.00 0.00 H new ATOM 0 HA LYS A 71 6.945 -21.152 1.028 1.00 0.00 H new ATOM 0 HB2 LYS A 71 4.354 -21.416 -0.453 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.549 -20.327 -1.129 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.446 -23.076 -0.320 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.473 -22.918 -1.769 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.957 -21.236 -1.276 1.00 0.00 H new ATOM 0 HD3 LYS A 71 8.017 -22.794 -2.076 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.070 -20.713 -3.066 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.766 -20.555 -3.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.565 -21.781 -5.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.715 -22.788 -4.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.072 -22.941 -4.030 1.00 0.00 H new ATOM 1058 N MET A 72 6.565 -18.586 0.368 1.00 0.00 N ATOM 1059 CA MET A 72 6.562 -17.132 0.482 1.00 0.00 C ATOM 1060 C MET A 72 6.442 -16.479 -0.891 1.00 0.00 C ATOM 1061 O MET A 72 6.846 -17.056 -1.900 1.00 0.00 O ATOM 1062 CB MET A 72 7.837 -16.652 1.179 1.00 0.00 C ATOM 1063 CG MET A 72 7.687 -16.502 2.684 1.00 0.00 C ATOM 1064 SD MET A 72 9.045 -15.578 3.428 1.00 0.00 S ATOM 1065 CE MET A 72 8.282 -13.972 3.646 1.00 0.00 C ATOM 0 H MET A 72 7.189 -18.952 -0.351 1.00 0.00 H new ATOM 0 HA MET A 72 5.698 -16.841 1.079 1.00 0.00 H new ATOM 0 HB2 MET A 72 8.642 -17.356 0.971 1.00 0.00 H new ATOM 0 HB3 MET A 72 8.134 -15.693 0.754 1.00 0.00 H new ATOM 0 HG2 MET A 72 6.746 -15.997 2.903 1.00 0.00 H new ATOM 0 HG3 MET A 72 7.632 -17.490 3.140 1.00 0.00 H new ATOM 0 HE1 MET A 72 9.045 -13.240 3.912 1.00 0.00 H new ATOM 0 HE2 MET A 72 7.798 -13.670 2.717 1.00 0.00 H new ATOM 0 HE3 MET A 72 7.539 -14.027 4.442 1.00 0.00 H new ATOM 1075 N ALA A 73 5.885 -15.273 -0.921 1.00 0.00 N ATOM 1076 CA ALA A 73 5.714 -14.542 -2.171 1.00 0.00 C ATOM 1077 C ALA A 73 5.697 -13.037 -1.928 1.00 0.00 C ATOM 1078 O ALA A 73 5.359 -12.578 -0.837 1.00 0.00 O ATOM 1079 CB ALA A 73 4.434 -14.980 -2.868 1.00 0.00 C ATOM 0 H ALA A 73 5.545 -14.781 -0.095 1.00 0.00 H new ATOM 0 HA ALA A 73 6.562 -14.771 -2.816 1.00 0.00 H new ATOM 0 HB1 ALA A 73 4.319 -14.426 -3.800 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.484 -16.047 -3.084 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.580 -14.781 -2.220 1.00 0.00 H new ATOM 1085 N MET A 74 6.066 -12.273 -2.951 1.00 0.00 N ATOM 1086 CA MET A 74 6.092 -10.818 -2.848 1.00 0.00 C ATOM 1087 C MET A 74 4.728 -10.224 -3.183 1.00 0.00 C ATOM 1088 O MET A 74 3.964 -10.798 -3.960 1.00 0.00 O ATOM 1089 CB MET A 74 7.157 -10.239 -3.781 1.00 0.00 C ATOM 1090 CG MET A 74 8.523 -10.096 -3.129 1.00 0.00 C ATOM 1091 SD MET A 74 9.783 -9.509 -4.278 1.00 0.00 S ATOM 1092 CE MET A 74 9.217 -7.836 -4.576 1.00 0.00 C ATOM 0 H MET A 74 6.351 -12.637 -3.860 1.00 0.00 H new ATOM 0 HA MET A 74 6.339 -10.556 -1.819 1.00 0.00 H new ATOM 0 HB2 MET A 74 7.247 -10.880 -4.658 1.00 0.00 H new ATOM 0 HB3 MET A 74 6.827 -9.262 -4.133 1.00 0.00 H new ATOM 0 HG2 MET A 74 8.450 -9.403 -2.291 1.00 0.00 H new ATOM 0 HG3 MET A 74 8.829 -11.059 -2.721 1.00 0.00 H new ATOM 0 HE1 MET A 74 10.076 -7.169 -4.649 1.00 0.00 H new ATOM 0 HE2 MET A 74 8.652 -7.804 -5.507 1.00 0.00 H new ATOM 0 HE3 MET A 74 8.578 -7.516 -3.753 1.00 0.00 H new ATOM 1102 N PHE A 75 4.428 -9.072 -2.594 1.00 0.00 N ATOM 1103 CA PHE A 75 3.155 -8.401 -2.829 1.00 0.00 C ATOM 1104 C PHE A 75 3.369 -6.921 -3.135 1.00 0.00 C ATOM 1105 O PHE A 75 3.570 -6.112 -2.230 1.00 0.00 O ATOM 1106 CB PHE A 75 2.240 -8.555 -1.613 1.00 0.00 C ATOM 1107 CG PHE A 75 1.466 -9.842 -1.604 1.00 0.00 C ATOM 1108 CD1 PHE A 75 0.251 -9.940 -2.262 1.00 0.00 C ATOM 1109 CD2 PHE A 75 1.954 -10.954 -0.937 1.00 0.00 C ATOM 1110 CE1 PHE A 75 -0.463 -11.123 -2.255 1.00 0.00 C ATOM 1111 CE2 PHE A 75 1.244 -12.140 -0.926 1.00 0.00 C ATOM 1112 CZ PHE A 75 0.034 -12.225 -1.587 1.00 0.00 C ATOM 0 H PHE A 75 5.049 -8.583 -1.950 1.00 0.00 H new ATOM 0 HA PHE A 75 2.681 -8.868 -3.692 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.842 -8.496 -0.706 1.00 0.00 H new ATOM 0 HB3 PHE A 75 1.540 -7.719 -1.587 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -0.143 -9.082 -2.787 1.00 0.00 H new ATOM 0 HD2 PHE A 75 2.900 -10.893 -0.420 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -1.409 -11.186 -2.772 1.00 0.00 H new ATOM 0 HE2 PHE A 75 1.635 -12.999 -0.401 1.00 0.00 H new ATOM 0 HZ PHE A 75 -0.522 -13.151 -1.581 1.00 0.00 H new ATOM 1122 N SER A 76 3.323 -6.576 -4.418 1.00 0.00 N ATOM 1123 CA SER A 76 3.516 -5.195 -4.845 1.00 0.00 C ATOM 1124 C SER A 76 2.219 -4.401 -4.718 1.00 0.00 C ATOM 1125 O SER A 76 1.225 -4.703 -5.379 1.00 0.00 O ATOM 1126 CB SER A 76 4.014 -5.151 -6.291 1.00 0.00 C ATOM 1127 OG SER A 76 3.214 -5.965 -7.131 1.00 0.00 O ATOM 0 H SER A 76 3.154 -7.233 -5.179 1.00 0.00 H new ATOM 0 HA SER A 76 4.265 -4.741 -4.196 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.998 -4.123 -6.653 1.00 0.00 H new ATOM 0 HB3 SER A 76 5.050 -5.488 -6.333 1.00 0.00 H new ATOM 0 HG SER A 76 2.473 -6.341 -6.612 1.00 0.00 H new ATOM 1133 N LEU A 77 2.237 -3.385 -3.862 1.00 0.00 N ATOM 1134 CA LEU A 77 1.063 -2.546 -3.646 1.00 0.00 C ATOM 1135 C LEU A 77 1.266 -1.160 -4.250 1.00 0.00 C ATOM 1136 O LEU A 77 1.838 -0.273 -3.616 1.00 0.00 O ATOM 1137 CB LEU A 77 0.767 -2.424 -2.151 1.00 0.00 C ATOM 1138 CG LEU A 77 -0.088 -3.538 -1.543 1.00 0.00 C ATOM 1139 CD1 LEU A 77 0.754 -4.779 -1.291 1.00 0.00 C ATOM 1140 CD2 LEU A 77 -0.743 -3.064 -0.254 1.00 0.00 C ATOM 0 H LEU A 77 3.051 -3.122 -3.306 1.00 0.00 H new ATOM 0 HA LEU A 77 0.214 -3.018 -4.141 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.715 -2.387 -1.615 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.265 -1.472 -1.977 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.874 -3.796 -2.253 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.130 -5.561 -0.859 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.175 -5.130 -2.233 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.562 -4.537 -0.601 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.347 -3.869 0.165 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.028 -2.779 0.462 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.379 -2.204 -0.464 1.00 0.00 H new ATOM 1152 N ALA A 78 0.792 -0.980 -5.478 1.00 0.00 N ATOM 1153 CA ALA A 78 0.917 0.299 -6.166 1.00 0.00 C ATOM 1154 C ALA A 78 -0.014 1.343 -5.559 1.00 0.00 C ATOM 1155 O ALA A 78 -1.206 1.379 -5.868 1.00 0.00 O ATOM 1156 CB ALA A 78 0.629 0.131 -7.651 1.00 0.00 C ATOM 0 H ALA A 78 0.318 -1.704 -6.017 1.00 0.00 H new ATOM 0 HA ALA A 78 1.942 0.650 -6.044 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.726 1.094 -8.152 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.339 -0.575 -8.082 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.385 -0.247 -7.785 1.00 0.00 H new ATOM 1162 N CYS A 79 0.535 2.188 -4.695 1.00 0.00 N ATOM 1163 CA CYS A 79 -0.248 3.232 -4.043 1.00 0.00 C ATOM 1164 C CYS A 79 -0.039 4.578 -4.730 1.00 0.00 C ATOM 1165 O CYS A 79 1.095 4.992 -4.974 1.00 0.00 O ATOM 1166 CB CYS A 79 0.132 3.336 -2.565 1.00 0.00 C ATOM 1167 SG CYS A 79 0.557 1.754 -1.799 1.00 0.00 S ATOM 0 H CYS A 79 1.520 2.171 -4.429 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.302 2.964 -4.122 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.979 4.015 -2.466 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -0.699 3.781 -2.018 1.00 0.00 H new ATOM 0 HG CYS A 79 1.265 1.047 -2.628 1.00 0.00 H new ATOM 1173 N ILE A 80 -1.139 5.255 -5.041 1.00 0.00 N ATOM 1174 CA ILE A 80 -1.076 6.553 -5.700 1.00 0.00 C ATOM 1175 C ILE A 80 -1.886 7.597 -4.938 1.00 0.00 C ATOM 1176 O ILE A 80 -3.100 7.459 -4.776 1.00 0.00 O ATOM 1177 CB ILE A 80 -1.594 6.475 -7.148 1.00 0.00 C ATOM 1178 CG1 ILE A 80 -0.673 5.593 -7.995 1.00 0.00 C ATOM 1179 CG2 ILE A 80 -1.701 7.868 -7.749 1.00 0.00 C ATOM 1180 CD1 ILE A 80 -1.275 5.192 -9.324 1.00 0.00 C ATOM 0 H ILE A 80 -2.085 4.926 -4.847 1.00 0.00 H new ATOM 0 HA ILE A 80 -0.027 6.849 -5.713 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.588 6.028 -7.139 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.262 6.124 -8.174 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.425 4.694 -7.431 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.068 7.795 -8.773 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.392 8.468 -7.157 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -0.719 8.341 -7.749 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.567 4.569 -9.871 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.195 4.633 -9.153 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.497 6.086 -9.907 1.00 0.00 H new ATOM 1192 N LEU A 81 -1.209 8.641 -4.475 1.00 0.00 N ATOM 1193 CA LEU A 81 -1.866 9.710 -3.731 1.00 0.00 C ATOM 1194 C LEU A 81 -2.229 10.870 -4.652 1.00 0.00 C ATOM 1195 O LEU A 81 -1.370 11.627 -5.106 1.00 0.00 O ATOM 1196 CB LEU A 81 -0.959 10.205 -2.603 1.00 0.00 C ATOM 1197 CG LEU A 81 -0.359 9.125 -1.701 1.00 0.00 C ATOM 1198 CD1 LEU A 81 0.653 9.732 -0.742 1.00 0.00 C ATOM 1199 CD2 LEU A 81 -1.456 8.401 -0.934 1.00 0.00 C ATOM 0 H LEU A 81 -0.205 8.771 -4.601 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.784 9.309 -3.302 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.142 10.776 -3.045 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.530 10.894 -1.981 1.00 0.00 H new ATOM 0 HG LEU A 81 0.157 8.399 -2.329 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.069 8.949 -0.108 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.455 10.204 -1.310 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.161 10.479 -0.119 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.011 7.636 -0.297 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.000 9.115 -0.316 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.143 7.932 -1.638 1.00 0.00 H new ATOM 1211 N PRO A 82 -3.532 11.016 -4.935 1.00 0.00 N ATOM 1212 CA PRO A 82 -4.039 12.084 -5.802 1.00 0.00 C ATOM 1213 C PRO A 82 -3.925 13.460 -5.155 1.00 0.00 C ATOM 1214 O PRO A 82 -3.397 13.596 -4.051 1.00 0.00 O ATOM 1215 CB PRO A 82 -5.510 11.708 -6.004 1.00 0.00 C ATOM 1216 CG PRO A 82 -5.861 10.896 -4.805 1.00 0.00 C ATOM 1217 CD PRO A 82 -4.611 10.151 -4.429 1.00 0.00 C ATOM 0 HA PRO A 82 -3.472 12.159 -6.730 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -6.139 12.595 -6.079 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -5.651 11.139 -6.923 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -6.196 11.533 -3.987 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -6.675 10.206 -5.026 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.538 10.007 -3.351 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -4.580 9.162 -4.886 1.00 0.00 H new ATOM 1225 N PHE A 83 -4.424 14.478 -5.848 1.00 0.00 N ATOM 1226 CA PHE A 83 -4.377 15.844 -5.341 1.00 0.00 C ATOM 1227 C PHE A 83 -5.628 16.166 -4.529 1.00 0.00 C ATOM 1228 O PHE A 83 -6.030 17.324 -4.418 1.00 0.00 O ATOM 1229 CB PHE A 83 -4.237 16.836 -6.498 1.00 0.00 C ATOM 1230 CG PHE A 83 -3.292 16.376 -7.570 1.00 0.00 C ATOM 1231 CD1 PHE A 83 -2.002 15.982 -7.253 1.00 0.00 C ATOM 1232 CD2 PHE A 83 -3.692 16.338 -8.896 1.00 0.00 C ATOM 1233 CE1 PHE A 83 -1.129 15.559 -8.238 1.00 0.00 C ATOM 1234 CE2 PHE A 83 -2.824 15.916 -9.886 1.00 0.00 C ATOM 1235 CZ PHE A 83 -1.542 15.525 -9.556 1.00 0.00 C ATOM 0 H PHE A 83 -4.866 14.383 -6.762 1.00 0.00 H new ATOM 0 HA PHE A 83 -3.508 15.933 -4.688 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -5.219 17.008 -6.939 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.892 17.793 -6.106 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.675 16.006 -6.224 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -4.694 16.642 -9.160 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -0.126 15.256 -7.978 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -3.149 15.892 -10.916 1.00 0.00 H new ATOM 0 HZ PHE A 83 -0.863 15.193 -10.327 1.00 0.00 H new ATOM 1245 N LYS A 84 -6.240 15.132 -3.962 1.00 0.00 N ATOM 1246 CA LYS A 84 -7.446 15.302 -3.159 1.00 0.00 C ATOM 1247 C LYS A 84 -7.223 14.808 -1.733 1.00 0.00 C ATOM 1248 O LYS A 84 -7.525 15.511 -0.768 1.00 0.00 O ATOM 1249 CB LYS A 84 -8.617 14.548 -3.794 1.00 0.00 C ATOM 1250 CG LYS A 84 -8.503 14.407 -5.302 1.00 0.00 C ATOM 1251 CD LYS A 84 -9.007 15.648 -6.018 1.00 0.00 C ATOM 1252 CE LYS A 84 -10.510 15.592 -6.241 1.00 0.00 C ATOM 1253 NZ LYS A 84 -11.267 15.962 -5.013 1.00 0.00 N ATOM 0 H LYS A 84 -5.921 14.167 -4.044 1.00 0.00 H new ATOM 0 HA LYS A 84 -7.683 16.365 -3.124 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -8.683 13.555 -3.349 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -9.545 15.067 -3.555 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -7.463 14.226 -5.574 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -9.074 13.539 -5.631 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -8.758 16.533 -5.433 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -8.499 15.747 -6.977 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -10.782 16.267 -7.053 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -10.794 14.587 -6.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -12.148 16.445 -5.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -11.494 15.103 -4.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -10.688 16.597 -4.426 1.00 0.00 H new ATOM 1267 N TYR A 85 -6.693 13.597 -1.607 1.00 0.00 N ATOM 1268 CA TYR A 85 -6.431 13.009 -0.299 1.00 0.00 C ATOM 1269 C TYR A 85 -6.162 14.093 0.741 1.00 0.00 C ATOM 1270 O TYR A 85 -5.521 15.108 0.466 1.00 0.00 O ATOM 1271 CB TYR A 85 -5.239 12.053 -0.375 1.00 0.00 C ATOM 1272 CG TYR A 85 -5.339 10.885 0.580 1.00 0.00 C ATOM 1273 CD1 TYR A 85 -6.479 10.092 0.622 1.00 0.00 C ATOM 1274 CD2 TYR A 85 -4.293 10.574 1.440 1.00 0.00 C ATOM 1275 CE1 TYR A 85 -6.575 9.024 1.492 1.00 0.00 C ATOM 1276 CE2 TYR A 85 -4.379 9.507 2.313 1.00 0.00 C ATOM 1277 CZ TYR A 85 -5.522 8.735 2.335 1.00 0.00 C ATOM 1278 OH TYR A 85 -5.613 7.672 3.205 1.00 0.00 O ATOM 0 H TYR A 85 -6.436 13.003 -2.395 1.00 0.00 H new ATOM 0 HA TYR A 85 -7.317 12.451 0.004 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -5.153 11.673 -1.393 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -4.325 12.608 -0.163 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -7.305 10.315 -0.037 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -3.397 11.177 1.426 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -7.469 8.419 1.512 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -3.556 9.279 2.974 1.00 0.00 H new ATOM 0 HH TYR A 85 -6.294 7.862 3.883 1.00 0.00 H new ATOM 1288 N PRO A 86 -6.662 13.873 1.966 1.00 0.00 N ATOM 1289 CA PRO A 86 -7.426 12.669 2.305 1.00 0.00 C ATOM 1290 C PRO A 86 -8.796 12.644 1.634 1.00 0.00 C ATOM 1291 O PRO A 86 -9.549 11.681 1.776 1.00 0.00 O ATOM 1292 CB PRO A 86 -7.577 12.761 3.825 1.00 0.00 C ATOM 1293 CG PRO A 86 -7.474 14.215 4.129 1.00 0.00 C ATOM 1294 CD PRO A 86 -6.521 14.784 3.115 1.00 0.00 C ATOM 0 HA PRO A 86 -6.927 11.761 1.967 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -8.534 12.355 4.153 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -6.798 12.194 4.335 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -8.449 14.698 4.062 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -7.107 14.377 5.143 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -6.781 15.809 2.850 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -5.498 14.802 3.491 1.00 0.00 H new ATOM 1302 N ALA A 87 -9.111 13.708 0.903 1.00 0.00 N ATOM 1303 CA ALA A 87 -10.388 13.806 0.208 1.00 0.00 C ATOM 1304 C ALA A 87 -10.783 12.468 -0.408 1.00 0.00 C ATOM 1305 O ALA A 87 -11.684 11.788 0.083 1.00 0.00 O ATOM 1306 CB ALA A 87 -10.325 14.885 -0.863 1.00 0.00 C ATOM 0 H ALA A 87 -8.499 14.514 0.777 1.00 0.00 H new ATOM 0 HA ALA A 87 -11.150 14.078 0.938 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -11.286 14.947 -1.374 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -10.098 15.845 -0.399 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -9.546 14.637 -1.584 1.00 0.00 H new ATOM 1312 N VAL A 88 -10.102 12.095 -1.487 1.00 0.00 N ATOM 1313 CA VAL A 88 -10.381 10.838 -2.171 1.00 0.00 C ATOM 1314 C VAL A 88 -9.315 9.793 -1.856 1.00 0.00 C ATOM 1315 O VAL A 88 -8.120 10.042 -2.015 1.00 0.00 O ATOM 1316 CB VAL A 88 -10.457 11.033 -3.696 1.00 0.00 C ATOM 1317 CG1 VAL A 88 -11.257 12.282 -4.035 1.00 0.00 C ATOM 1318 CG2 VAL A 88 -9.061 11.106 -4.295 1.00 0.00 C ATOM 0 H VAL A 88 -9.353 12.646 -1.906 1.00 0.00 H new ATOM 0 HA VAL A 88 -11.348 10.489 -1.809 1.00 0.00 H new ATOM 0 HB VAL A 88 -10.968 10.173 -4.129 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -11.300 12.404 -5.117 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -12.268 12.185 -3.640 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -10.776 13.154 -3.591 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -9.135 11.244 -5.374 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -8.521 11.946 -3.858 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -8.525 10.181 -4.083 1.00 0.00 H new ATOM 1328 N LEU A 89 -9.757 8.623 -1.409 1.00 0.00 N ATOM 1329 CA LEU A 89 -8.841 7.538 -1.072 1.00 0.00 C ATOM 1330 C LEU A 89 -7.840 7.301 -2.198 1.00 0.00 C ATOM 1331 O LEU A 89 -8.092 7.614 -3.362 1.00 0.00 O ATOM 1332 CB LEU A 89 -9.623 6.254 -0.790 1.00 0.00 C ATOM 1333 CG LEU A 89 -10.433 6.233 0.506 1.00 0.00 C ATOM 1334 CD1 LEU A 89 -11.460 5.111 0.475 1.00 0.00 C ATOM 1335 CD2 LEU A 89 -9.513 6.082 1.709 1.00 0.00 C ATOM 0 H LEU A 89 -10.743 8.401 -1.271 1.00 0.00 H new ATOM 0 HA LEU A 89 -8.290 7.825 -0.176 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.303 6.076 -1.623 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -8.920 5.421 -0.769 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.962 7.182 0.596 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -12.027 5.111 1.406 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -12.139 5.262 -0.364 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.950 4.154 0.361 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -10.108 6.069 2.622 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -8.955 5.149 1.626 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -8.816 6.920 1.742 1.00 0.00 H new ATOM 1347 N PRO A 90 -6.677 6.732 -1.847 1.00 0.00 N ATOM 1348 CA PRO A 90 -5.616 6.437 -2.814 1.00 0.00 C ATOM 1349 C PRO A 90 -5.995 5.306 -3.763 1.00 0.00 C ATOM 1350 O PRO A 90 -6.990 4.614 -3.552 1.00 0.00 O ATOM 1351 CB PRO A 90 -4.437 6.022 -1.931 1.00 0.00 C ATOM 1352 CG PRO A 90 -5.062 5.516 -0.677 1.00 0.00 C ATOM 1353 CD PRO A 90 -6.309 6.332 -0.478 1.00 0.00 C ATOM 0 HA PRO A 90 -5.404 7.290 -3.459 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.834 5.251 -2.412 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -3.776 6.865 -1.731 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -5.299 4.455 -0.759 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -4.384 5.627 0.169 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -7.099 5.750 -0.003 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -6.125 7.198 0.158 1.00 0.00 H new ATOM 1361 N GLU A 91 -5.195 5.124 -4.809 1.00 0.00 N ATOM 1362 CA GLU A 91 -5.448 4.076 -5.791 1.00 0.00 C ATOM 1363 C GLU A 91 -4.502 2.896 -5.584 1.00 0.00 C ATOM 1364 O GLU A 91 -3.656 2.609 -6.431 1.00 0.00 O ATOM 1365 CB GLU A 91 -5.291 4.626 -7.210 1.00 0.00 C ATOM 1366 CG GLU A 91 -6.524 5.353 -7.720 1.00 0.00 C ATOM 1367 CD GLU A 91 -6.399 5.762 -9.175 1.00 0.00 C ATOM 1368 OE1 GLU A 91 -5.298 6.191 -9.579 1.00 0.00 O ATOM 1369 OE2 GLU A 91 -7.403 5.654 -9.910 1.00 0.00 O ATOM 0 H GLU A 91 -4.367 5.688 -4.998 1.00 0.00 H new ATOM 0 HA GLU A 91 -6.472 3.727 -5.656 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -4.441 5.308 -7.234 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -5.059 3.803 -7.886 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.396 4.710 -7.601 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.696 6.240 -7.110 1.00 0.00 H new ATOM 1376 N ILE A 92 -4.652 2.217 -4.451 1.00 0.00 N ATOM 1377 CA ILE A 92 -3.812 1.069 -4.133 1.00 0.00 C ATOM 1378 C ILE A 92 -4.150 -0.123 -5.022 1.00 0.00 C ATOM 1379 O ILE A 92 -5.217 -0.725 -4.894 1.00 0.00 O ATOM 1380 CB ILE A 92 -3.962 0.653 -2.658 1.00 0.00 C ATOM 1381 CG1 ILE A 92 -3.692 1.847 -1.739 1.00 0.00 C ATOM 1382 CG2 ILE A 92 -3.021 -0.497 -2.333 1.00 0.00 C ATOM 1383 CD1 ILE A 92 -3.976 1.563 -0.281 1.00 0.00 C ATOM 0 H ILE A 92 -5.347 2.442 -3.739 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.781 1.373 -4.313 1.00 0.00 H new ATOM 0 HB ILE A 92 -4.985 0.316 -2.493 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -2.650 2.149 -1.846 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -4.303 2.690 -2.062 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -3.139 -0.779 -1.287 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.257 -1.351 -2.968 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.992 -0.186 -2.511 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -3.763 2.453 0.311 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -5.024 1.290 -0.161 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.346 0.741 0.059 1.00 0.00 H new ATOM 1395 N THR A 93 -3.233 -0.461 -5.924 1.00 0.00 N ATOM 1396 CA THR A 93 -3.433 -1.581 -6.834 1.00 0.00 C ATOM 1397 C THR A 93 -2.480 -2.727 -6.514 1.00 0.00 C ATOM 1398 O THR A 93 -1.296 -2.675 -6.848 1.00 0.00 O ATOM 1399 CB THR A 93 -3.232 -1.156 -8.301 1.00 0.00 C ATOM 1400 OG1 THR A 93 -4.153 -0.113 -8.639 1.00 0.00 O ATOM 1401 CG2 THR A 93 -3.429 -2.337 -9.239 1.00 0.00 C ATOM 0 H THR A 93 -2.345 0.026 -6.043 1.00 0.00 H new ATOM 0 HA THR A 93 -4.461 -1.918 -6.698 1.00 0.00 H new ATOM 0 HB THR A 93 -2.211 -0.790 -8.413 1.00 0.00 H new ATOM 0 HG1 THR A 93 -4.018 0.153 -9.572 1.00 0.00 H new ATOM 0 HG21 THR A 93 -3.282 -2.012 -10.269 1.00 0.00 H new ATOM 0 HG22 THR A 93 -2.707 -3.117 -8.998 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.439 -2.729 -9.123 1.00 0.00 H new ATOM 1409 N VAL A 94 -3.003 -3.762 -5.864 1.00 0.00 N ATOM 1410 CA VAL A 94 -2.199 -4.922 -5.500 1.00 0.00 C ATOM 1411 C VAL A 94 -1.878 -5.774 -6.723 1.00 0.00 C ATOM 1412 O VAL A 94 -2.747 -6.037 -7.554 1.00 0.00 O ATOM 1413 CB VAL A 94 -2.915 -5.795 -4.453 1.00 0.00 C ATOM 1414 CG1 VAL A 94 -2.046 -6.980 -4.061 1.00 0.00 C ATOM 1415 CG2 VAL A 94 -3.283 -4.967 -3.231 1.00 0.00 C ATOM 0 H VAL A 94 -3.981 -3.820 -5.579 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.271 -4.542 -5.072 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.835 -6.179 -4.894 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -2.569 -7.585 -3.320 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -1.837 -7.586 -4.943 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -1.108 -6.619 -3.638 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.788 -5.600 -2.501 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.378 -4.552 -2.787 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -3.947 -4.155 -3.528 1.00 0.00 H new ATOM 1425 N ARG A 95 -0.624 -6.203 -6.826 1.00 0.00 N ATOM 1426 CA ARG A 95 -0.188 -7.025 -7.948 1.00 0.00 C ATOM 1427 C ARG A 95 0.781 -8.109 -7.484 1.00 0.00 C ATOM 1428 O ARG A 95 1.566 -7.899 -6.559 1.00 0.00 O ATOM 1429 CB ARG A 95 0.476 -6.156 -9.017 1.00 0.00 C ATOM 1430 CG ARG A 95 -0.404 -5.019 -9.511 1.00 0.00 C ATOM 1431 CD ARG A 95 -1.247 -5.445 -10.703 1.00 0.00 C ATOM 1432 NE ARG A 95 -1.970 -4.320 -11.291 1.00 0.00 N ATOM 1433 CZ ARG A 95 -2.393 -4.297 -12.550 1.00 0.00 C ATOM 1434 NH1 ARG A 95 -2.168 -5.331 -13.348 1.00 0.00 N ATOM 1435 NH2 ARG A 95 -3.045 -3.237 -13.012 1.00 0.00 N ATOM 0 H ARG A 95 0.107 -5.995 -6.146 1.00 0.00 H new ATOM 0 HA ARG A 95 -1.067 -7.507 -8.376 1.00 0.00 H new ATOM 0 HB2 ARG A 95 1.399 -5.740 -8.613 1.00 0.00 H new ATOM 0 HB3 ARG A 95 0.753 -6.784 -9.864 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -1.056 -4.685 -8.704 1.00 0.00 H new ATOM 0 HG3 ARG A 95 0.219 -4.170 -9.790 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -0.605 -5.898 -11.458 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -1.958 -6.209 -10.390 1.00 0.00 H new ATOM 0 HE ARG A 95 -2.160 -3.508 -10.703 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -1.669 -6.148 -12.996 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -2.494 -5.310 -14.314 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -3.221 -2.440 -12.400 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -3.370 -3.219 -13.979 1.00 0.00 H new ATOM 1449 N SER A 96 0.719 -9.268 -8.132 1.00 0.00 N ATOM 1450 CA SER A 96 1.588 -10.386 -7.783 1.00 0.00 C ATOM 1451 C SER A 96 1.415 -11.537 -8.768 1.00 0.00 C ATOM 1452 O SER A 96 0.294 -11.948 -9.070 1.00 0.00 O ATOM 1453 CB SER A 96 1.289 -10.867 -6.361 1.00 0.00 C ATOM 1454 OG SER A 96 2.380 -11.599 -5.831 1.00 0.00 O ATOM 0 H SER A 96 0.076 -9.457 -8.901 1.00 0.00 H new ATOM 0 HA SER A 96 2.621 -10.041 -7.833 1.00 0.00 H new ATOM 0 HB2 SER A 96 1.076 -10.011 -5.721 1.00 0.00 H new ATOM 0 HB3 SER A 96 0.396 -11.491 -6.365 1.00 0.00 H new ATOM 0 HG SER A 96 2.905 -11.021 -5.239 1.00 0.00 H new ATOM 1460 N VAL A 97 2.533 -12.054 -9.268 1.00 0.00 N ATOM 1461 CA VAL A 97 2.506 -13.159 -10.219 1.00 0.00 C ATOM 1462 C VAL A 97 1.401 -14.151 -9.877 1.00 0.00 C ATOM 1463 O VAL A 97 0.820 -14.779 -10.763 1.00 0.00 O ATOM 1464 CB VAL A 97 3.855 -13.901 -10.254 1.00 0.00 C ATOM 1465 CG1 VAL A 97 4.029 -14.753 -9.006 1.00 0.00 C ATOM 1466 CG2 VAL A 97 3.961 -14.753 -11.510 1.00 0.00 C ATOM 0 H VAL A 97 3.469 -11.725 -9.030 1.00 0.00 H new ATOM 0 HA VAL A 97 2.311 -12.728 -11.201 1.00 0.00 H new ATOM 0 HB VAL A 97 4.656 -13.162 -10.274 1.00 0.00 H new ATOM 0 HG11 VAL A 97 4.988 -15.270 -9.049 1.00 0.00 H new ATOM 0 HG12 VAL A 97 4.000 -14.115 -8.123 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.224 -15.486 -8.951 1.00 0.00 H new ATOM 0 HG21 VAL A 97 4.920 -15.270 -11.519 1.00 0.00 H new ATOM 0 HG22 VAL A 97 3.154 -15.485 -11.522 1.00 0.00 H new ATOM 0 HG23 VAL A 97 3.885 -14.115 -12.390 1.00 0.00 H new ATOM 1476 N LEU A 98 1.115 -14.289 -8.587 1.00 0.00 N ATOM 1477 CA LEU A 98 0.077 -15.205 -8.127 1.00 0.00 C ATOM 1478 C LEU A 98 -1.302 -14.740 -8.583 1.00 0.00 C ATOM 1479 O LEU A 98 -2.025 -15.474 -9.259 1.00 0.00 O ATOM 1480 CB LEU A 98 0.111 -15.321 -6.602 1.00 0.00 C ATOM 1481 CG LEU A 98 1.499 -15.358 -5.963 1.00 0.00 C ATOM 1482 CD1 LEU A 98 1.387 -15.433 -4.448 1.00 0.00 C ATOM 1483 CD2 LEU A 98 2.303 -16.533 -6.499 1.00 0.00 C ATOM 0 H LEU A 98 1.587 -13.778 -7.841 1.00 0.00 H new ATOM 0 HA LEU A 98 0.272 -16.184 -8.564 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -0.438 -14.479 -6.181 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.424 -16.226 -6.314 1.00 0.00 H new ATOM 0 HG LEU A 98 2.022 -14.438 -6.223 1.00 0.00 H new ATOM 0 HD11 LEU A 98 2.385 -15.459 -4.010 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.851 -14.558 -4.079 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.845 -16.336 -4.168 1.00 0.00 H new ATOM 0 HD21 LEU A 98 3.288 -16.543 -6.033 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.784 -17.464 -6.270 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.414 -16.436 -7.579 1.00 0.00 H new ATOM 1495 N LEU A 99 -1.661 -13.516 -8.210 1.00 0.00 N ATOM 1496 CA LEU A 99 -2.953 -12.951 -8.583 1.00 0.00 C ATOM 1497 C LEU A 99 -2.965 -12.541 -10.052 1.00 0.00 C ATOM 1498 O LEU A 99 -2.105 -11.784 -10.502 1.00 0.00 O ATOM 1499 CB LEU A 99 -3.277 -11.744 -7.701 1.00 0.00 C ATOM 1500 CG LEU A 99 -2.973 -11.900 -6.211 1.00 0.00 C ATOM 1501 CD1 LEU A 99 -3.038 -10.553 -5.508 1.00 0.00 C ATOM 1502 CD2 LEU A 99 -3.940 -12.885 -5.570 1.00 0.00 C ATOM 0 H LEU A 99 -1.076 -12.896 -7.650 1.00 0.00 H new ATOM 0 HA LEU A 99 -3.714 -13.717 -8.434 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.721 -10.885 -8.077 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.336 -11.512 -7.813 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.962 -12.293 -6.106 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.819 -10.685 -4.448 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.306 -9.877 -5.949 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -4.036 -10.131 -5.622 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -3.709 -12.984 -4.509 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -4.961 -12.521 -5.687 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.844 -13.857 -6.054 1.00 0.00 H new ATOM 1514 N SER A 100 -3.946 -13.043 -10.793 1.00 0.00 N ATOM 1515 CA SER A 100 -4.070 -12.730 -12.212 1.00 0.00 C ATOM 1516 C SER A 100 -5.291 -11.852 -12.471 1.00 0.00 C ATOM 1517 O SER A 100 -5.166 -10.651 -12.706 1.00 0.00 O ATOM 1518 CB SER A 100 -4.170 -14.017 -13.033 1.00 0.00 C ATOM 1519 OG SER A 100 -3.003 -14.808 -12.887 1.00 0.00 O ATOM 0 H SER A 100 -4.667 -13.669 -10.435 1.00 0.00 H new ATOM 0 HA SER A 100 -3.179 -12.181 -12.516 1.00 0.00 H new ATOM 0 HB2 SER A 100 -5.042 -14.588 -12.715 1.00 0.00 H new ATOM 0 HB3 SER A 100 -4.317 -13.771 -14.085 1.00 0.00 H new ATOM 0 HG SER A 100 -3.093 -15.625 -13.420 1.00 0.00 H new ATOM 1525 N ARG A 101 -6.470 -12.462 -12.425 1.00 0.00 N ATOM 1526 CA ARG A 101 -7.715 -11.738 -12.655 1.00 0.00 C ATOM 1527 C ARG A 101 -8.679 -11.929 -11.488 1.00 0.00 C ATOM 1528 O ARG A 101 -8.869 -11.027 -10.672 1.00 0.00 O ATOM 1529 CB ARG A 101 -8.370 -12.207 -13.955 1.00 0.00 C ATOM 1530 CG ARG A 101 -7.485 -12.039 -15.179 1.00 0.00 C ATOM 1531 CD ARG A 101 -6.619 -13.266 -15.413 1.00 0.00 C ATOM 1532 NE ARG A 101 -5.467 -12.970 -16.261 1.00 0.00 N ATOM 1533 CZ ARG A 101 -4.749 -13.902 -16.878 1.00 0.00 C ATOM 1534 NH1 ARG A 101 -5.064 -15.183 -16.743 1.00 0.00 N ATOM 1535 NH2 ARG A 101 -3.715 -13.553 -17.633 1.00 0.00 N ATOM 0 H ARG A 101 -6.590 -13.456 -12.231 1.00 0.00 H new ATOM 0 HA ARG A 101 -7.479 -10.677 -12.738 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -8.643 -13.258 -13.856 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -9.295 -11.651 -14.107 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -8.106 -11.858 -16.056 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -6.849 -11.163 -15.052 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -6.273 -13.654 -14.455 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -7.218 -14.050 -15.877 1.00 0.00 H new ATOM 0 HE ARG A 101 -5.199 -11.994 -16.386 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -5.859 -15.454 -16.165 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -4.511 -15.897 -17.218 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -3.471 -12.568 -17.740 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -3.164 -14.269 -18.106 1.00 0.00 H new ATOM 1549 N SER A 102 -9.286 -13.109 -11.416 1.00 0.00 N ATOM 1550 CA SER A 102 -10.235 -13.418 -10.353 1.00 0.00 C ATOM 1551 C SER A 102 -9.624 -13.137 -8.983 1.00 0.00 C ATOM 1552 O SER A 102 -10.103 -12.277 -8.243 1.00 0.00 O ATOM 1553 CB SER A 102 -10.671 -14.881 -10.438 1.00 0.00 C ATOM 1554 OG SER A 102 -11.377 -15.133 -11.641 1.00 0.00 O ATOM 0 H SER A 102 -9.137 -13.867 -12.082 1.00 0.00 H new ATOM 0 HA SER A 102 -11.108 -12.779 -10.482 1.00 0.00 H new ATOM 0 HB2 SER A 102 -9.796 -15.528 -10.384 1.00 0.00 H new ATOM 0 HB3 SER A 102 -11.302 -15.126 -9.584 1.00 0.00 H new ATOM 0 HG SER A 102 -11.644 -16.076 -11.673 1.00 0.00 H new ATOM 1560 N GLN A 103 -8.565 -13.869 -8.652 1.00 0.00 N ATOM 1561 CA GLN A 103 -7.890 -13.699 -7.371 1.00 0.00 C ATOM 1562 C GLN A 103 -7.592 -12.227 -7.103 1.00 0.00 C ATOM 1563 O GLN A 103 -8.000 -11.680 -6.079 1.00 0.00 O ATOM 1564 CB GLN A 103 -6.591 -14.507 -7.345 1.00 0.00 C ATOM 1565 CG GLN A 103 -6.775 -15.968 -7.723 1.00 0.00 C ATOM 1566 CD GLN A 103 -6.714 -16.196 -9.220 1.00 0.00 C ATOM 1567 OE1 GLN A 103 -5.801 -15.719 -9.895 1.00 0.00 O ATOM 1568 NE2 GLN A 103 -7.687 -16.928 -9.748 1.00 0.00 N ATOM 0 H GLN A 103 -8.156 -14.585 -9.253 1.00 0.00 H new ATOM 0 HA GLN A 103 -8.554 -14.065 -6.588 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -5.875 -14.051 -8.029 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -6.158 -14.451 -6.346 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -6.003 -16.565 -7.237 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -7.735 -16.319 -7.345 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -8.424 -17.304 -9.151 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -7.698 -17.115 -10.751 1.00 0.00 H new ATOM 1577 N GLN A 104 -6.880 -11.594 -8.030 1.00 0.00 N ATOM 1578 CA GLN A 104 -6.528 -10.186 -7.892 1.00 0.00 C ATOM 1579 C GLN A 104 -7.774 -9.331 -7.685 1.00 0.00 C ATOM 1580 O GLN A 104 -7.985 -8.771 -6.608 1.00 0.00 O ATOM 1581 CB GLN A 104 -5.765 -9.706 -9.127 1.00 0.00 C ATOM 1582 CG GLN A 104 -5.130 -8.335 -8.956 1.00 0.00 C ATOM 1583 CD GLN A 104 -4.247 -8.250 -7.727 1.00 0.00 C ATOM 1584 OE1 GLN A 104 -3.029 -8.407 -7.811 1.00 0.00 O ATOM 1585 NE2 GLN A 104 -4.859 -8.001 -6.574 1.00 0.00 N ATOM 0 H GLN A 104 -6.536 -12.034 -8.884 1.00 0.00 H new ATOM 0 HA GLN A 104 -5.889 -10.082 -7.015 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -4.987 -10.430 -9.367 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -6.447 -9.678 -9.977 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -4.538 -8.100 -9.841 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -5.915 -7.581 -8.888 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -5.871 -7.878 -6.550 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -4.317 -7.933 -5.713 1.00 0.00 H new ATOM 1594 N THR A 105 -8.598 -9.234 -8.723 1.00 0.00 N ATOM 1595 CA THR A 105 -9.822 -8.446 -8.656 1.00 0.00 C ATOM 1596 C THR A 105 -10.543 -8.662 -7.331 1.00 0.00 C ATOM 1597 O THR A 105 -10.939 -7.704 -6.667 1.00 0.00 O ATOM 1598 CB THR A 105 -10.780 -8.797 -9.811 1.00 0.00 C ATOM 1599 OG1 THR A 105 -10.207 -8.396 -11.061 1.00 0.00 O ATOM 1600 CG2 THR A 105 -12.127 -8.115 -9.623 1.00 0.00 C ATOM 0 H THR A 105 -8.440 -9.692 -9.621 1.00 0.00 H new ATOM 0 HA THR A 105 -9.529 -7.400 -8.741 1.00 0.00 H new ATOM 0 HB THR A 105 -10.934 -9.876 -9.811 1.00 0.00 H new ATOM 0 HG1 THR A 105 -9.584 -9.086 -11.372 1.00 0.00 H new ATOM 0 HG21 THR A 105 -12.786 -8.378 -10.450 1.00 0.00 H new ATOM 0 HG22 THR A 105 -12.574 -8.444 -8.685 1.00 0.00 H new ATOM 0 HG23 THR A 105 -11.987 -7.034 -9.599 1.00 0.00 H new ATOM 1608 N GLN A 106 -10.709 -9.925 -6.951 1.00 0.00 N ATOM 1609 CA GLN A 106 -11.383 -10.265 -5.703 1.00 0.00 C ATOM 1610 C GLN A 106 -10.686 -9.614 -4.513 1.00 0.00 C ATOM 1611 O GLN A 106 -11.335 -9.187 -3.558 1.00 0.00 O ATOM 1612 CB GLN A 106 -11.423 -11.783 -5.518 1.00 0.00 C ATOM 1613 CG GLN A 106 -12.631 -12.268 -4.733 1.00 0.00 C ATOM 1614 CD GLN A 106 -13.936 -12.038 -5.469 1.00 0.00 C ATOM 1615 OE1 GLN A 106 -14.380 -12.883 -6.247 1.00 0.00 O ATOM 1616 NE2 GLN A 106 -14.559 -10.891 -5.226 1.00 0.00 N ATOM 0 H GLN A 106 -10.386 -10.729 -7.489 1.00 0.00 H new ATOM 0 HA GLN A 106 -12.403 -9.885 -5.755 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -11.421 -12.260 -6.498 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -10.515 -12.102 -5.006 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -12.520 -13.332 -4.523 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -12.665 -11.755 -3.772 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -14.155 -10.219 -4.573 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -15.442 -10.682 -5.692 1.00 0.00 H new ATOM 1625 N LEU A 107 -9.361 -9.541 -4.578 1.00 0.00 N ATOM 1626 CA LEU A 107 -8.574 -8.942 -3.505 1.00 0.00 C ATOM 1627 C LEU A 107 -8.719 -7.424 -3.506 1.00 0.00 C ATOM 1628 O LEU A 107 -9.092 -6.825 -2.498 1.00 0.00 O ATOM 1629 CB LEU A 107 -7.101 -9.326 -3.650 1.00 0.00 C ATOM 1630 CG LEU A 107 -6.156 -8.781 -2.579 1.00 0.00 C ATOM 1631 CD1 LEU A 107 -4.990 -9.733 -2.361 1.00 0.00 C ATOM 1632 CD2 LEU A 107 -5.653 -7.398 -2.965 1.00 0.00 C ATOM 0 H LEU A 107 -8.809 -9.889 -5.362 1.00 0.00 H new ATOM 0 HA LEU A 107 -8.950 -9.324 -2.556 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -7.028 -10.414 -3.651 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -6.751 -8.983 -4.623 1.00 0.00 H new ATOM 0 HG LEU A 107 -6.709 -8.696 -1.643 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -4.328 -9.328 -1.595 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -5.368 -10.703 -2.038 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -4.437 -9.851 -3.293 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.982 -7.026 -2.191 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -5.117 -7.457 -3.912 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -6.499 -6.719 -3.069 1.00 0.00 H new ATOM 1644 N ASN A 108 -8.423 -6.808 -4.646 1.00 0.00 N ATOM 1645 CA ASN A 108 -8.521 -5.359 -4.779 1.00 0.00 C ATOM 1646 C ASN A 108 -9.914 -4.870 -4.391 1.00 0.00 C ATOM 1647 O ASN A 108 -10.059 -3.906 -3.639 1.00 0.00 O ATOM 1648 CB ASN A 108 -8.201 -4.935 -6.214 1.00 0.00 C ATOM 1649 CG ASN A 108 -6.725 -4.652 -6.418 1.00 0.00 C ATOM 1650 OD1 ASN A 108 -6.088 -3.998 -5.592 1.00 0.00 O ATOM 1651 ND2 ASN A 108 -6.176 -5.144 -7.522 1.00 0.00 N ATOM 0 H ASN A 108 -8.114 -7.289 -5.490 1.00 0.00 H new ATOM 0 HA ASN A 108 -7.795 -4.907 -4.103 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -8.516 -5.721 -6.901 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -8.777 -4.044 -6.464 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -5.187 -4.986 -7.714 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -6.743 -5.680 -8.178 1.00 0.00 H new ATOM 1658 N THR A 109 -10.937 -5.542 -4.910 1.00 0.00 N ATOM 1659 CA THR A 109 -12.317 -5.177 -4.619 1.00 0.00 C ATOM 1660 C THR A 109 -12.525 -4.957 -3.125 1.00 0.00 C ATOM 1661 O THR A 109 -13.196 -4.010 -2.715 1.00 0.00 O ATOM 1662 CB THR A 109 -13.299 -6.259 -5.108 1.00 0.00 C ATOM 1663 OG1 THR A 109 -13.316 -6.295 -6.539 1.00 0.00 O ATOM 1664 CG2 THR A 109 -14.703 -5.991 -4.586 1.00 0.00 C ATOM 0 H THR A 109 -10.835 -6.342 -5.534 1.00 0.00 H new ATOM 0 HA THR A 109 -12.517 -4.247 -5.152 1.00 0.00 H new ATOM 0 HB THR A 109 -12.963 -7.223 -4.725 1.00 0.00 H new ATOM 0 HG1 THR A 109 -12.524 -6.772 -6.864 1.00 0.00 H new ATOM 0 HG21 THR A 109 -15.379 -6.768 -4.944 1.00 0.00 H new ATOM 0 HG22 THR A 109 -14.693 -5.993 -3.496 1.00 0.00 H new ATOM 0 HG23 THR A 109 -15.045 -5.020 -4.943 1.00 0.00 H new ATOM 1672 N ASP A 110 -11.944 -5.835 -2.316 1.00 0.00 N ATOM 1673 CA ASP A 110 -12.063 -5.735 -0.866 1.00 0.00 C ATOM 1674 C ASP A 110 -11.078 -4.712 -0.309 1.00 0.00 C ATOM 1675 O ASP A 110 -11.464 -3.790 0.410 1.00 0.00 O ATOM 1676 CB ASP A 110 -11.823 -7.099 -0.217 1.00 0.00 C ATOM 1677 CG ASP A 110 -12.985 -8.051 -0.425 1.00 0.00 C ATOM 1678 OD1 ASP A 110 -13.159 -8.536 -1.563 1.00 0.00 O ATOM 1679 OD2 ASP A 110 -13.719 -8.312 0.551 1.00 0.00 O ATOM 0 H ASP A 110 -11.385 -6.625 -2.640 1.00 0.00 H new ATOM 0 HA ASP A 110 -13.075 -5.404 -0.632 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -10.917 -7.541 -0.631 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -11.653 -6.965 0.851 1.00 0.00 H new ATOM 1684 N LEU A 111 -9.804 -4.883 -0.644 1.00 0.00 N ATOM 1685 CA LEU A 111 -8.762 -3.975 -0.177 1.00 0.00 C ATOM 1686 C LEU A 111 -9.293 -2.550 -0.060 1.00 0.00 C ATOM 1687 O LEU A 111 -9.150 -1.905 0.980 1.00 0.00 O ATOM 1688 CB LEU A 111 -7.564 -4.009 -1.128 1.00 0.00 C ATOM 1689 CG LEU A 111 -6.556 -2.869 -0.978 1.00 0.00 C ATOM 1690 CD1 LEU A 111 -6.099 -2.747 0.467 1.00 0.00 C ATOM 1691 CD2 LEU A 111 -5.364 -3.087 -1.899 1.00 0.00 C ATOM 0 H LEU A 111 -9.468 -5.642 -1.237 1.00 0.00 H new ATOM 0 HA LEU A 111 -8.443 -4.306 0.811 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -7.039 -4.953 -0.985 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -7.938 -4.004 -2.152 1.00 0.00 H new ATOM 0 HG LEU A 111 -7.045 -1.937 -1.263 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -5.382 -1.931 0.554 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -6.959 -2.544 1.105 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -5.628 -3.679 0.779 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.657 -2.266 -1.779 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -4.875 -4.027 -1.645 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -5.705 -3.124 -2.934 1.00 0.00 H new ATOM 1703 N THR A 112 -9.909 -2.064 -1.133 1.00 0.00 N ATOM 1704 CA THR A 112 -10.463 -0.716 -1.151 1.00 0.00 C ATOM 1705 C THR A 112 -11.640 -0.592 -0.191 1.00 0.00 C ATOM 1706 O THR A 112 -11.666 0.293 0.663 1.00 0.00 O ATOM 1707 CB THR A 112 -10.924 -0.317 -2.565 1.00 0.00 C ATOM 1708 OG1 THR A 112 -9.874 -0.556 -3.509 1.00 0.00 O ATOM 1709 CG2 THR A 112 -11.329 1.149 -2.609 1.00 0.00 C ATOM 0 H THR A 112 -10.037 -2.584 -2.001 1.00 0.00 H new ATOM 0 HA THR A 112 -9.667 -0.043 -0.833 1.00 0.00 H new ATOM 0 HB THR A 112 -11.791 -0.925 -2.825 1.00 0.00 H new ATOM 0 HG1 THR A 112 -10.176 -0.301 -4.406 1.00 0.00 H new ATOM 0 HG21 THR A 112 -11.651 1.407 -3.618 1.00 0.00 H new ATOM 0 HG22 THR A 112 -12.149 1.321 -1.911 1.00 0.00 H new ATOM 0 HG23 THR A 112 -10.478 1.770 -2.329 1.00 0.00 H new ATOM 1717 N ALA A 113 -12.612 -1.486 -0.336 1.00 0.00 N ATOM 1718 CA ALA A 113 -13.792 -1.478 0.521 1.00 0.00 C ATOM 1719 C ALA A 113 -13.402 -1.343 1.989 1.00 0.00 C ATOM 1720 O ALA A 113 -13.937 -0.498 2.708 1.00 0.00 O ATOM 1721 CB ALA A 113 -14.610 -2.742 0.304 1.00 0.00 C ATOM 0 H ALA A 113 -12.606 -2.225 -1.039 1.00 0.00 H new ATOM 0 HA ALA A 113 -14.401 -0.614 0.253 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -15.488 -2.723 0.950 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -14.927 -2.796 -0.737 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -14.002 -3.614 0.544 1.00 0.00 H new ATOM 1727 N PHE A 114 -12.469 -2.180 2.428 1.00 0.00 N ATOM 1728 CA PHE A 114 -12.009 -2.155 3.812 1.00 0.00 C ATOM 1729 C PHE A 114 -11.829 -0.720 4.299 1.00 0.00 C ATOM 1730 O PHE A 114 -12.456 -0.299 5.272 1.00 0.00 O ATOM 1731 CB PHE A 114 -10.692 -2.921 3.948 1.00 0.00 C ATOM 1732 CG PHE A 114 -9.884 -2.517 5.149 1.00 0.00 C ATOM 1733 CD1 PHE A 114 -10.358 -2.751 6.429 1.00 0.00 C ATOM 1734 CD2 PHE A 114 -8.652 -1.902 4.996 1.00 0.00 C ATOM 1735 CE1 PHE A 114 -9.617 -2.380 7.536 1.00 0.00 C ATOM 1736 CE2 PHE A 114 -7.907 -1.529 6.099 1.00 0.00 C ATOM 1737 CZ PHE A 114 -8.391 -1.768 7.370 1.00 0.00 C ATOM 0 H PHE A 114 -12.016 -2.884 1.846 1.00 0.00 H new ATOM 0 HA PHE A 114 -12.767 -2.637 4.429 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -10.906 -3.988 4.006 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -10.095 -2.764 3.049 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -11.317 -3.229 6.564 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -8.269 -1.712 4.004 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -9.997 -2.569 8.529 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -6.947 -1.051 5.967 1.00 0.00 H new ATOM 0 HZ PHE A 114 -7.811 -1.476 8.233 1.00 0.00 H new ATOM 1747 N LEU A 115 -10.967 0.026 3.617 1.00 0.00 N ATOM 1748 CA LEU A 115 -10.702 1.414 3.979 1.00 0.00 C ATOM 1749 C LEU A 115 -11.956 2.267 3.818 1.00 0.00 C ATOM 1750 O LEU A 115 -12.392 2.931 4.758 1.00 0.00 O ATOM 1751 CB LEU A 115 -9.572 1.980 3.118 1.00 0.00 C ATOM 1752 CG LEU A 115 -8.258 1.198 3.136 1.00 0.00 C ATOM 1753 CD1 LEU A 115 -7.354 1.646 1.998 1.00 0.00 C ATOM 1754 CD2 LEU A 115 -7.556 1.366 4.476 1.00 0.00 C ATOM 0 H LEU A 115 -10.439 -0.307 2.810 1.00 0.00 H new ATOM 0 HA LEU A 115 -10.399 1.439 5.026 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -9.922 2.039 2.087 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -9.369 3.000 3.445 1.00 0.00 H new ATOM 0 HG LEU A 115 -8.485 0.141 2.997 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -6.424 1.078 2.027 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -7.855 1.473 1.046 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -7.134 2.708 2.105 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -6.623 0.803 4.471 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -7.342 2.421 4.645 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -8.200 0.994 5.273 1.00 0.00 H new ATOM 1766 N GLN A 116 -12.532 2.243 2.620 1.00 0.00 N ATOM 1767 CA GLN A 116 -13.737 3.014 2.337 1.00 0.00 C ATOM 1768 C GLN A 116 -14.640 3.084 3.564 1.00 0.00 C ATOM 1769 O GLN A 116 -15.107 4.157 3.945 1.00 0.00 O ATOM 1770 CB GLN A 116 -14.499 2.396 1.163 1.00 0.00 C ATOM 1771 CG GLN A 116 -13.792 2.555 -0.173 1.00 0.00 C ATOM 1772 CD GLN A 116 -14.454 1.761 -1.282 1.00 0.00 C ATOM 1773 OE1 GLN A 116 -13.903 0.773 -1.768 1.00 0.00 O ATOM 1774 NE2 GLN A 116 -15.643 2.190 -1.689 1.00 0.00 N ATOM 0 H GLN A 116 -12.184 1.699 1.831 1.00 0.00 H new ATOM 0 HA GLN A 116 -13.435 4.028 2.073 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -14.653 1.335 1.359 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -15.486 2.855 1.099 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -13.775 3.610 -0.447 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -12.755 2.235 -0.071 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -16.063 3.014 -1.258 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -16.136 1.696 -2.432 1.00 0.00 H new ATOM 1783 N LYS A 117 -14.883 1.932 4.180 1.00 0.00 N ATOM 1784 CA LYS A 117 -15.729 1.861 5.365 1.00 0.00 C ATOM 1785 C LYS A 117 -14.941 2.226 6.619 1.00 0.00 C ATOM 1786 O LYS A 117 -15.227 3.228 7.275 1.00 0.00 O ATOM 1787 CB LYS A 117 -16.320 0.457 5.513 1.00 0.00 C ATOM 1788 CG LYS A 117 -17.678 0.436 6.192 1.00 0.00 C ATOM 1789 CD LYS A 117 -17.909 -0.867 6.939 1.00 0.00 C ATOM 1790 CE LYS A 117 -18.179 -2.017 5.981 1.00 0.00 C ATOM 1791 NZ LYS A 117 -19.544 -1.940 5.392 1.00 0.00 N ATOM 0 H LYS A 117 -14.505 1.034 3.878 1.00 0.00 H new ATOM 0 HA LYS A 117 -16.540 2.579 5.244 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -16.410 0.004 4.526 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -15.628 -0.161 6.085 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -17.751 1.273 6.887 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -18.461 0.572 5.446 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -17.036 -1.098 7.549 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -18.753 -0.753 7.620 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -17.438 -2.006 5.182 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -18.064 -2.964 6.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -19.752 -2.822 4.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -20.242 -1.806 6.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -19.592 -1.138 4.731 1.00 0.00 H new ATOM 1805 N HIS A 118 -13.945 1.408 6.946 1.00 0.00 N ATOM 1806 CA HIS A 118 -13.114 1.646 8.121 1.00 0.00 C ATOM 1807 C HIS A 118 -12.726 3.118 8.221 1.00 0.00 C ATOM 1808 O HIS A 118 -13.070 3.797 9.190 1.00 0.00 O ATOM 1809 CB HIS A 118 -11.857 0.778 8.067 1.00 0.00 C ATOM 1810 CG HIS A 118 -12.048 -0.590 8.646 1.00 0.00 C ATOM 1811 ND1 HIS A 118 -12.780 -1.642 8.209 1.00 0.00 N flip ATOM 1812 CD2 HIS A 118 -11.449 -1.002 9.818 1.00 0.00 C flip ATOM 1813 CE1 HIS A 118 -12.610 -2.660 9.115 1.00 0.00 C flip ATOM 1814 NE2 HIS A 118 -11.802 -2.248 10.076 1.00 0.00 N flip ATOM 0 H HIS A 118 -13.694 0.575 6.414 1.00 0.00 H new ATOM 0 HA HIS A 118 -13.692 1.379 9.005 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -11.536 0.683 7.030 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -11.054 1.282 8.605 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -10.793 -0.400 10.429 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -13.063 -3.638 9.052 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -11.502 -2.799 10.880 1.00 0.00 H new ATOM 1823 N CYS A 119 -12.006 3.606 7.216 1.00 0.00 N ATOM 1824 CA CYS A 119 -11.570 4.997 7.193 1.00 0.00 C ATOM 1825 C CYS A 119 -12.059 5.699 5.930 1.00 0.00 C ATOM 1826 O CYS A 119 -11.734 5.291 4.815 1.00 0.00 O ATOM 1827 CB CYS A 119 -10.045 5.076 7.277 1.00 0.00 C ATOM 1828 SG CYS A 119 -9.427 6.569 8.088 1.00 0.00 S ATOM 0 H CYS A 119 -11.712 3.059 6.407 1.00 0.00 H new ATOM 0 HA CYS A 119 -12.001 5.502 8.058 1.00 0.00 H new ATOM 0 HB2 CYS A 119 -9.676 4.203 7.816 1.00 0.00 H new ATOM 0 HB3 CYS A 119 -9.633 5.026 6.269 1.00 0.00 H new ATOM 0 HG CYS A 119 -10.204 7.571 7.802 1.00 0.00 H new ATOM 1834 N HIS A 120 -12.844 6.756 6.113 1.00 0.00 N ATOM 1835 CA HIS A 120 -13.379 7.515 4.988 1.00 0.00 C ATOM 1836 C HIS A 120 -13.202 9.014 5.210 1.00 0.00 C ATOM 1837 O HIS A 120 -14.119 9.697 5.663 1.00 0.00 O ATOM 1838 CB HIS A 120 -14.859 7.189 4.784 1.00 0.00 C ATOM 1839 CG HIS A 120 -15.372 7.558 3.426 1.00 0.00 C ATOM 1840 ND1 HIS A 120 -16.611 8.127 3.219 1.00 0.00 N ATOM 1841 CD2 HIS A 120 -14.805 7.438 2.203 1.00 0.00 C ATOM 1842 CE1 HIS A 120 -16.785 8.339 1.927 1.00 0.00 C ATOM 1843 NE2 HIS A 120 -15.703 7.930 1.288 1.00 0.00 N ATOM 0 H HIS A 120 -13.124 7.106 7.029 1.00 0.00 H new ATOM 0 HA HIS A 120 -12.825 7.231 4.093 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -15.013 6.122 4.944 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -15.445 7.712 5.539 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -13.828 7.031 1.987 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -17.662 8.773 1.470 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -15.558 7.973 0.279 1.00 0.00 H new ATOM 1852 N GLY A 121 -12.014 9.519 4.888 1.00 0.00 N ATOM 1853 CA GLY A 121 -11.738 10.933 5.060 1.00 0.00 C ATOM 1854 C GLY A 121 -10.514 11.184 5.918 1.00 0.00 C ATOM 1855 O GLY A 121 -10.526 12.056 6.788 1.00 0.00 O ATOM 0 H GLY A 121 -11.239 8.974 4.511 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -11.594 11.393 4.083 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -12.602 11.416 5.515 1.00 0.00 H new ATOM 1859 N ASP A 122 -9.456 10.419 5.676 1.00 0.00 N ATOM 1860 CA ASP A 122 -8.219 10.563 6.434 1.00 0.00 C ATOM 1861 C ASP A 122 -7.041 9.967 5.669 1.00 0.00 C ATOM 1862 O ASP A 122 -7.206 9.428 4.575 1.00 0.00 O ATOM 1863 CB ASP A 122 -8.351 9.886 7.799 1.00 0.00 C ATOM 1864 CG ASP A 122 -9.716 10.100 8.422 1.00 0.00 C ATOM 1865 OD1 ASP A 122 -10.673 9.416 8.004 1.00 0.00 O ATOM 1866 OD2 ASP A 122 -9.827 10.952 9.329 1.00 0.00 O ATOM 0 H ASP A 122 -9.430 9.692 4.961 1.00 0.00 H new ATOM 0 HA ASP A 122 -8.033 11.627 6.581 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -8.168 8.817 7.690 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -7.584 10.274 8.469 1.00 0.00 H new ATOM 1871 N VAL A 123 -5.850 10.070 6.252 1.00 0.00 N ATOM 1872 CA VAL A 123 -4.644 9.542 5.626 1.00 0.00 C ATOM 1873 C VAL A 123 -4.128 8.317 6.373 1.00 0.00 C ATOM 1874 O VAL A 123 -3.339 8.437 7.311 1.00 0.00 O ATOM 1875 CB VAL A 123 -3.530 10.603 5.570 1.00 0.00 C ATOM 1876 CG1 VAL A 123 -3.896 11.712 4.595 1.00 0.00 C ATOM 1877 CG2 VAL A 123 -3.264 11.169 6.957 1.00 0.00 C ATOM 0 H VAL A 123 -5.695 10.514 7.157 1.00 0.00 H new ATOM 0 HA VAL A 123 -4.914 9.256 4.609 1.00 0.00 H new ATOM 0 HB VAL A 123 -2.616 10.126 5.215 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -3.096 12.452 4.569 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -4.032 11.291 3.599 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -4.822 12.189 4.917 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -2.474 11.918 6.899 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -4.173 11.630 7.342 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -2.954 10.365 7.625 1.00 0.00 H new ATOM 1887 N CYS A 124 -4.578 7.141 5.951 1.00 0.00 N ATOM 1888 CA CYS A 124 -4.162 5.893 6.581 1.00 0.00 C ATOM 1889 C CYS A 124 -3.806 4.846 5.530 1.00 0.00 C ATOM 1890 O CYS A 124 -4.662 4.075 5.094 1.00 0.00 O ATOM 1891 CB CYS A 124 -5.270 5.363 7.492 1.00 0.00 C ATOM 1892 SG CYS A 124 -5.289 6.106 9.140 1.00 0.00 S ATOM 0 H CYS A 124 -5.231 7.025 5.176 1.00 0.00 H new ATOM 0 HA CYS A 124 -3.275 6.096 7.181 1.00 0.00 H new ATOM 0 HB2 CYS A 124 -6.234 5.540 7.014 1.00 0.00 H new ATOM 0 HB3 CYS A 124 -5.157 4.284 7.593 1.00 0.00 H new ATOM 0 HG CYS A 124 -6.262 5.596 9.835 1.00 0.00 H new ATOM 1898 N ILE A 125 -2.540 4.825 5.128 1.00 0.00 N ATOM 1899 CA ILE A 125 -2.072 3.873 4.128 1.00 0.00 C ATOM 1900 C ILE A 125 -1.753 2.523 4.761 1.00 0.00 C ATOM 1901 O ILE A 125 -2.201 1.480 4.283 1.00 0.00 O ATOM 1902 CB ILE A 125 -0.819 4.394 3.398 1.00 0.00 C ATOM 1903 CG1 ILE A 125 -1.149 5.669 2.620 1.00 0.00 C ATOM 1904 CG2 ILE A 125 -0.268 3.325 2.466 1.00 0.00 C ATOM 1905 CD1 ILE A 125 -2.189 5.467 1.540 1.00 0.00 C ATOM 0 H ILE A 125 -1.820 5.456 5.479 1.00 0.00 H new ATOM 0 HA ILE A 125 -2.879 3.751 3.406 1.00 0.00 H new ATOM 0 HB ILE A 125 -0.056 4.631 4.139 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -1.504 6.428 3.317 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -0.236 6.054 2.166 1.00 0.00 H new ATOM 0 HG21 ILE A 125 0.617 3.707 1.957 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -0.001 2.441 3.044 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -1.025 3.060 1.728 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -2.373 6.413 1.030 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -1.829 4.731 0.821 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -3.116 5.111 1.990 1.00 0.00 H new ATOM 1917 N LEU A 126 -0.979 2.550 5.840 1.00 0.00 N ATOM 1918 CA LEU A 126 -0.601 1.327 6.542 1.00 0.00 C ATOM 1919 C LEU A 126 -1.816 0.434 6.771 1.00 0.00 C ATOM 1920 O LEU A 126 -1.773 -0.768 6.512 1.00 0.00 O ATOM 1921 CB LEU A 126 0.057 1.667 7.880 1.00 0.00 C ATOM 1922 CG LEU A 126 1.575 1.846 7.855 1.00 0.00 C ATOM 1923 CD1 LEU A 126 2.013 2.836 8.923 1.00 0.00 C ATOM 1924 CD2 LEU A 126 2.273 0.507 8.048 1.00 0.00 C ATOM 0 H LEU A 126 -0.601 3.405 6.248 1.00 0.00 H new ATOM 0 HA LEU A 126 0.113 0.785 5.921 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -0.391 2.586 8.259 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -0.184 0.877 8.592 1.00 0.00 H new ATOM 0 HG LEU A 126 1.859 2.244 6.881 1.00 0.00 H new ATOM 0 HD11 LEU A 126 3.096 2.951 8.890 1.00 0.00 H new ATOM 0 HD12 LEU A 126 1.540 3.801 8.740 1.00 0.00 H new ATOM 0 HD13 LEU A 126 1.717 2.467 9.905 1.00 0.00 H new ATOM 0 HD21 LEU A 126 3.353 0.653 8.027 1.00 0.00 H new ATOM 0 HD22 LEU A 126 1.983 0.080 9.008 1.00 0.00 H new ATOM 0 HD23 LEU A 126 1.984 -0.173 7.247 1.00 0.00 H new ATOM 1936 N ASN A 127 -2.900 1.031 7.257 1.00 0.00 N ATOM 1937 CA ASN A 127 -4.128 0.289 7.520 1.00 0.00 C ATOM 1938 C ASN A 127 -4.401 -0.721 6.410 1.00 0.00 C ATOM 1939 O ASN A 127 -4.861 -1.833 6.668 1.00 0.00 O ATOM 1940 CB ASN A 127 -5.310 1.251 7.653 1.00 0.00 C ATOM 1941 CG ASN A 127 -6.382 0.724 8.588 1.00 0.00 C ATOM 1942 OD1 ASN A 127 -7.632 0.777 8.144 1.00 0.00 O flip ATOM 1943 ND2 ASN A 127 -6.088 0.274 9.696 1.00 0.00 N flip ATOM 0 H ASN A 127 -2.953 2.026 7.476 1.00 0.00 H new ATOM 0 HA ASN A 127 -4.003 -0.254 8.457 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -4.952 2.213 8.020 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -5.744 1.427 6.669 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -5.113 0.253 9.996 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -6.819 -0.078 10.314 1.00 0.00 H new ATOM 1950 N ALA A 128 -4.115 -0.326 5.174 1.00 0.00 N ATOM 1951 CA ALA A 128 -4.327 -1.197 4.025 1.00 0.00 C ATOM 1952 C ALA A 128 -3.351 -2.368 4.036 1.00 0.00 C ATOM 1953 O ALA A 128 -3.757 -3.529 3.973 1.00 0.00 O ATOM 1954 CB ALA A 128 -4.192 -0.406 2.731 1.00 0.00 C ATOM 0 H ALA A 128 -3.736 0.592 4.943 1.00 0.00 H new ATOM 0 HA ALA A 128 -5.338 -1.600 4.088 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -4.353 -1.069 1.881 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -4.934 0.393 2.714 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -3.193 0.025 2.671 1.00 0.00 H new ATOM 1960 N THR A 129 -2.061 -2.057 4.115 1.00 0.00 N ATOM 1961 CA THR A 129 -1.027 -3.084 4.133 1.00 0.00 C ATOM 1962 C THR A 129 -1.293 -4.113 5.225 1.00 0.00 C ATOM 1963 O THR A 129 -0.906 -5.275 5.102 1.00 0.00 O ATOM 1964 CB THR A 129 0.370 -2.471 4.349 1.00 0.00 C ATOM 1965 OG1 THR A 129 0.435 -1.843 5.634 1.00 0.00 O ATOM 1966 CG2 THR A 129 0.688 -1.452 3.265 1.00 0.00 C ATOM 0 H THR A 129 -1.707 -1.102 4.168 1.00 0.00 H new ATOM 0 HA THR A 129 -1.053 -3.576 3.161 1.00 0.00 H new ATOM 0 HB THR A 129 1.106 -3.273 4.298 1.00 0.00 H new ATOM 0 HG1 THR A 129 -0.361 -1.288 5.767 1.00 0.00 H new ATOM 0 HG21 THR A 129 1.679 -1.033 3.439 1.00 0.00 H new ATOM 0 HG22 THR A 129 0.666 -1.939 2.290 1.00 0.00 H new ATOM 0 HG23 THR A 129 -0.053 -0.653 3.288 1.00 0.00 H new ATOM 1974 N GLU A 130 -1.955 -3.679 6.293 1.00 0.00 N ATOM 1975 CA GLU A 130 -2.272 -4.565 7.407 1.00 0.00 C ATOM 1976 C GLU A 130 -3.461 -5.460 7.069 1.00 0.00 C ATOM 1977 O GLU A 130 -3.658 -6.506 7.686 1.00 0.00 O ATOM 1978 CB GLU A 130 -2.574 -3.750 8.666 1.00 0.00 C ATOM 1979 CG GLU A 130 -1.369 -3.001 9.210 1.00 0.00 C ATOM 1980 CD GLU A 130 -0.361 -3.920 9.872 1.00 0.00 C ATOM 1981 OE1 GLU A 130 -0.778 -4.757 10.700 1.00 0.00 O ATOM 1982 OE2 GLU A 130 0.843 -3.802 9.563 1.00 0.00 O ATOM 0 H GLU A 130 -2.282 -2.720 6.410 1.00 0.00 H new ATOM 0 HA GLU A 130 -1.404 -5.198 7.593 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -3.366 -3.035 8.444 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -2.955 -4.418 9.438 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -0.884 -2.461 8.397 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -1.704 -2.256 9.931 1.00 0.00 H new ATOM 1989 N TRP A 131 -4.249 -5.040 6.086 1.00 0.00 N ATOM 1990 CA TRP A 131 -5.419 -5.802 5.666 1.00 0.00 C ATOM 1991 C TRP A 131 -5.068 -6.757 4.531 1.00 0.00 C ATOM 1992 O TRP A 131 -5.692 -7.808 4.375 1.00 0.00 O ATOM 1993 CB TRP A 131 -6.539 -4.857 5.227 1.00 0.00 C ATOM 1994 CG TRP A 131 -7.779 -5.572 4.783 1.00 0.00 C ATOM 1995 CD1 TRP A 131 -8.945 -5.701 5.482 1.00 0.00 C ATOM 1996 CD2 TRP A 131 -7.976 -6.256 3.541 1.00 0.00 C ATOM 1997 NE1 TRP A 131 -9.855 -6.425 4.750 1.00 0.00 N ATOM 1998 CE2 TRP A 131 -9.285 -6.776 3.555 1.00 0.00 C ATOM 1999 CE3 TRP A 131 -7.175 -6.478 2.418 1.00 0.00 C ATOM 2000 CZ2 TRP A 131 -9.808 -7.504 2.489 1.00 0.00 C ATOM 2001 CZ3 TRP A 131 -7.695 -7.202 1.361 1.00 0.00 C ATOM 2002 CH2 TRP A 131 -9.001 -7.707 1.403 1.00 0.00 C ATOM 0 H TRP A 131 -4.099 -4.176 5.565 1.00 0.00 H new ATOM 0 HA TRP A 131 -5.763 -6.390 6.517 1.00 0.00 H new ATOM 0 HB2 TRP A 131 -6.788 -4.192 6.054 1.00 0.00 H new ATOM 0 HB3 TRP A 131 -6.178 -4.231 4.411 1.00 0.00 H new ATOM 0 HD1 TRP A 131 -9.125 -5.294 6.466 1.00 0.00 H new ATOM 0 HE1 TRP A 131 -10.801 -6.662 5.048 1.00 0.00 H new ATOM 0 HE3 TRP A 131 -6.168 -6.091 2.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 131 -10.815 -7.894 2.519 1.00 0.00 H new ATOM 0 HZ3 TRP A 131 -7.084 -7.381 0.489 1.00 0.00 H new ATOM 0 HH2 TRP A 131 -9.379 -8.268 0.561 1.00 0.00 H new ATOM 2013 N VAL A 132 -4.066 -6.387 3.740 1.00 0.00 N ATOM 2014 CA VAL A 132 -3.632 -7.212 2.619 1.00 0.00 C ATOM 2015 C VAL A 132 -2.737 -8.353 3.091 1.00 0.00 C ATOM 2016 O VAL A 132 -2.962 -9.514 2.748 1.00 0.00 O ATOM 2017 CB VAL A 132 -2.872 -6.378 1.570 1.00 0.00 C ATOM 2018 CG1 VAL A 132 -2.257 -7.283 0.513 1.00 0.00 C ATOM 2019 CG2 VAL A 132 -3.797 -5.352 0.934 1.00 0.00 C ATOM 0 H VAL A 132 -3.539 -5.521 3.855 1.00 0.00 H new ATOM 0 HA VAL A 132 -4.531 -7.625 2.162 1.00 0.00 H new ATOM 0 HB VAL A 132 -2.065 -5.844 2.070 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -1.724 -6.677 -0.220 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -1.561 -7.975 0.987 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -3.045 -7.847 0.013 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -3.244 -4.772 0.196 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -4.627 -5.863 0.446 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -4.184 -4.685 1.704 1.00 0.00 H new ATOM 2029 N ARG A 133 -1.723 -8.015 3.880 1.00 0.00 N ATOM 2030 CA ARG A 133 -0.794 -9.011 4.399 1.00 0.00 C ATOM 2031 C ARG A 133 -1.542 -10.238 4.912 1.00 0.00 C ATOM 2032 O ARG A 133 -1.017 -11.350 4.889 1.00 0.00 O ATOM 2033 CB ARG A 133 0.055 -8.412 5.522 1.00 0.00 C ATOM 2034 CG ARG A 133 -0.698 -8.247 6.833 1.00 0.00 C ATOM 2035 CD ARG A 133 0.247 -8.271 8.024 1.00 0.00 C ATOM 2036 NE ARG A 133 0.883 -9.574 8.193 1.00 0.00 N ATOM 2037 CZ ARG A 133 0.314 -10.594 8.826 1.00 0.00 C ATOM 2038 NH1 ARG A 133 -0.897 -10.461 9.348 1.00 0.00 N ATOM 2039 NH2 ARG A 133 0.957 -11.749 8.938 1.00 0.00 N ATOM 0 H ARG A 133 -1.524 -7.059 4.174 1.00 0.00 H new ATOM 0 HA ARG A 133 -0.140 -9.320 3.584 1.00 0.00 H new ATOM 0 HB2 ARG A 133 0.923 -9.049 5.689 1.00 0.00 H new ATOM 0 HB3 ARG A 133 0.430 -7.439 5.203 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -1.248 -7.306 6.822 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -1.434 -9.045 6.934 1.00 0.00 H new ATOM 0 HD2 ARG A 133 1.014 -7.508 7.893 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -0.304 -8.017 8.929 1.00 0.00 H new ATOM 0 HE ARG A 133 1.816 -9.709 7.803 1.00 0.00 H new ATOM 0 HH11 ARG A 133 -1.394 -9.574 9.264 1.00 0.00 H new ATOM 0 HH12 ARG A 133 -1.332 -11.245 9.834 1.00 0.00 H new ATOM 0 HH21 ARG A 133 1.889 -11.855 8.538 1.00 0.00 H new ATOM 0 HH22 ARG A 133 0.519 -12.531 9.424 1.00 0.00 H new ATOM 2053 N GLU A 134 -2.770 -10.025 5.374 1.00 0.00 N ATOM 2054 CA GLU A 134 -3.590 -11.114 5.893 1.00 0.00 C ATOM 2055 C GLU A 134 -4.490 -11.686 4.801 1.00 0.00 C ATOM 2056 O GLU A 134 -4.312 -12.825 4.368 1.00 0.00 O ATOM 2057 CB GLU A 134 -4.441 -10.626 7.067 1.00 0.00 C ATOM 2058 CG GLU A 134 -4.923 -11.745 7.975 1.00 0.00 C ATOM 2059 CD GLU A 134 -5.973 -12.619 7.317 1.00 0.00 C ATOM 2060 OE1 GLU A 134 -5.616 -13.389 6.401 1.00 0.00 O ATOM 2061 OE2 GLU A 134 -7.153 -12.532 7.719 1.00 0.00 O ATOM 0 H GLU A 134 -3.219 -9.109 5.400 1.00 0.00 H new ATOM 0 HA GLU A 134 -2.923 -11.903 6.240 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -3.860 -9.916 7.656 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -5.305 -10.086 6.679 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -4.073 -12.362 8.267 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -5.334 -11.315 8.888 1.00 0.00 H new ATOM 2068 N HIS A 135 -5.457 -10.887 4.361 1.00 0.00 N ATOM 2069 CA HIS A 135 -6.385 -11.313 3.320 1.00 0.00 C ATOM 2070 C HIS A 135 -5.640 -11.981 2.168 1.00 0.00 C ATOM 2071 O HIS A 135 -6.018 -13.061 1.715 1.00 0.00 O ATOM 2072 CB HIS A 135 -7.186 -10.119 2.801 1.00 0.00 C ATOM 2073 CG HIS A 135 -8.457 -9.877 3.554 1.00 0.00 C ATOM 2074 ND1 HIS A 135 -9.685 -10.337 3.127 1.00 0.00 N ATOM 2075 CD2 HIS A 135 -8.687 -9.220 4.715 1.00 0.00 C ATOM 2076 CE1 HIS A 135 -10.615 -9.972 3.991 1.00 0.00 C ATOM 2077 NE2 HIS A 135 -10.035 -9.293 4.964 1.00 0.00 N ATOM 0 H HIS A 135 -5.618 -9.942 4.709 1.00 0.00 H new ATOM 0 HA HIS A 135 -7.072 -12.039 3.755 1.00 0.00 H new ATOM 0 HB2 HIS A 135 -6.565 -9.225 2.855 1.00 0.00 H new ATOM 0 HB3 HIS A 135 -7.422 -10.280 1.749 1.00 0.00 H new ATOM 0 HD2 HIS A 135 -7.948 -8.730 5.331 1.00 0.00 H new ATOM 0 HE1 HIS A 135 -11.670 -10.191 3.915 1.00 0.00 H new ATOM 0 HE2 HIS A 135 -10.511 -8.888 5.770 1.00 0.00 H new ATOM 2086 N ALA A 136 -4.582 -11.330 1.697 1.00 0.00 N ATOM 2087 CA ALA A 136 -3.784 -11.861 0.599 1.00 0.00 C ATOM 2088 C ALA A 136 -3.736 -13.384 0.642 1.00 0.00 C ATOM 2089 O ALA A 136 -4.342 -14.058 -0.191 1.00 0.00 O ATOM 2090 CB ALA A 136 -2.376 -11.285 0.643 1.00 0.00 C ATOM 0 H ALA A 136 -4.257 -10.433 2.059 1.00 0.00 H new ATOM 0 HA ALA A 136 -4.257 -11.565 -0.337 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -1.791 -11.690 -0.183 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -2.424 -10.200 0.555 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -1.903 -11.552 1.588 1.00 0.00 H new ATOM 2096 N SER A 137 -3.011 -13.922 1.618 1.00 0.00 N ATOM 2097 CA SER A 137 -2.880 -15.366 1.767 1.00 0.00 C ATOM 2098 C SER A 137 -4.188 -16.069 1.417 1.00 0.00 C ATOM 2099 O SER A 137 -4.190 -17.121 0.780 1.00 0.00 O ATOM 2100 CB SER A 137 -2.466 -15.718 3.197 1.00 0.00 C ATOM 2101 OG SER A 137 -1.361 -14.934 3.615 1.00 0.00 O ATOM 0 H SER A 137 -2.505 -13.379 2.318 1.00 0.00 H new ATOM 0 HA SER A 137 -2.108 -15.708 1.078 1.00 0.00 H new ATOM 0 HB2 SER A 137 -3.306 -15.557 3.872 1.00 0.00 H new ATOM 0 HB3 SER A 137 -2.208 -16.776 3.255 1.00 0.00 H new ATOM 0 HG SER A 137 -0.532 -15.324 3.266 1.00 0.00 H new ATOM 2107 N GLY A 138 -5.302 -15.478 1.840 1.00 0.00 N ATOM 2108 CA GLY A 138 -6.602 -16.060 1.563 1.00 0.00 C ATOM 2109 C GLY A 138 -6.853 -16.239 0.079 1.00 0.00 C ATOM 2110 O GLY A 138 -7.077 -17.356 -0.390 1.00 0.00 O ATOM 0 H GLY A 138 -5.327 -14.607 2.370 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -6.677 -17.027 2.060 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -7.379 -15.423 1.986 1.00 0.00 H new ATOM 2114 N TYR A 139 -6.817 -15.138 -0.663 1.00 0.00 N ATOM 2115 CA TYR A 139 -7.046 -15.178 -2.102 1.00 0.00 C ATOM 2116 C TYR A 139 -6.043 -16.099 -2.788 1.00 0.00 C ATOM 2117 O TYR A 139 -6.395 -16.858 -3.691 1.00 0.00 O ATOM 2118 CB TYR A 139 -6.952 -13.771 -2.694 1.00 0.00 C ATOM 2119 CG TYR A 139 -7.987 -12.813 -2.147 1.00 0.00 C ATOM 2120 CD1 TYR A 139 -9.317 -12.900 -2.538 1.00 0.00 C ATOM 2121 CD2 TYR A 139 -7.634 -11.821 -1.241 1.00 0.00 C ATOM 2122 CE1 TYR A 139 -10.266 -12.027 -2.042 1.00 0.00 C ATOM 2123 CE2 TYR A 139 -8.576 -10.944 -0.739 1.00 0.00 C ATOM 2124 CZ TYR A 139 -9.891 -11.052 -1.143 1.00 0.00 C ATOM 2125 OH TYR A 139 -10.832 -10.180 -0.646 1.00 0.00 O ATOM 0 H TYR A 139 -6.631 -14.206 -0.291 1.00 0.00 H new ATOM 0 HA TYR A 139 -8.048 -15.571 -2.274 1.00 0.00 H new ATOM 0 HB2 TYR A 139 -5.958 -13.369 -2.498 1.00 0.00 H new ATOM 0 HB3 TYR A 139 -7.063 -13.833 -3.777 1.00 0.00 H new ATOM 0 HD1 TYR A 139 -9.614 -13.663 -3.242 1.00 0.00 H new ATOM 0 HD2 TYR A 139 -6.605 -11.734 -0.924 1.00 0.00 H new ATOM 0 HE1 TYR A 139 -11.296 -12.108 -2.357 1.00 0.00 H new ATOM 0 HE2 TYR A 139 -8.285 -10.179 -0.035 1.00 0.00 H new ATOM 0 HH TYR A 139 -11.347 -9.797 -1.387 1.00 0.00 H new ATOM 2135 N VAL A 140 -4.789 -16.026 -2.353 1.00 0.00 N ATOM 2136 CA VAL A 140 -3.732 -16.853 -2.923 1.00 0.00 C ATOM 2137 C VAL A 140 -3.711 -18.236 -2.281 1.00 0.00 C ATOM 2138 O VAL A 140 -2.649 -18.835 -2.108 1.00 0.00 O ATOM 2139 CB VAL A 140 -2.350 -16.197 -2.749 1.00 0.00 C ATOM 2140 CG1 VAL A 140 -2.000 -15.356 -3.967 1.00 0.00 C ATOM 2141 CG2 VAL A 140 -2.316 -15.355 -1.482 1.00 0.00 C ATOM 0 H VAL A 140 -4.480 -15.402 -1.607 1.00 0.00 H new ATOM 0 HA VAL A 140 -3.947 -16.952 -3.987 1.00 0.00 H new ATOM 0 HB VAL A 140 -1.603 -16.985 -2.655 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -1.020 -14.901 -3.825 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -1.981 -15.990 -4.854 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -2.748 -14.574 -4.096 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -1.332 -14.899 -1.375 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -3.073 -14.574 -1.544 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -2.518 -15.989 -0.618 1.00 0.00 H new