USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 706 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 37 MET CE :methyl -173:sc= -2.07 (180deg=-2.05) USER MOD Set 1.2: A 85 TYR OH : rot 180:sc=-0.00746 USER MOD Set 2.1: A 46 ASN : amide:sc= -0.0715 K(o=-0.12,f=-1.7) USER MOD Set 2.2: A 50 ASN : amide:sc= -0.0457 K(o=-0.12,f=-0.67) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.733! C(o=-0.73!,f=-9!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 167:sc= -0.333 (180deg=-0.59) USER MOD Single : A 19 SER OG : rot -68:sc= 1.13 USER MOD Single : A 23 ASN : amide:sc= -6.24! C(o=-6.2!,f=-16!) USER MOD Single : A 24 GLN : amide:sc= -1.04 X(o=-1,f=-0.9) USER MOD Single : A 25 GLN : amide:sc= -1.9! C(o=-1.9!,f=-3.1!) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 33 SER OG : rot -25:sc= 0.0661 USER MOD Single : A 39 THR OG1 : rot 91:sc= 1.23 USER MOD Single : A 45 MET CE :methyl -178:sc= 0 (180deg=-0.00352) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 134:sc= -1.78 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= -0.052 K(o=-0.052,f=-2.5!) USER MOD Single : A 57 THR OG1 : rot -45:sc= 0.902 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 ASN : amide:sc= 0.238 X(o=0.24,f=-0.0037) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -5.07! C(o=-5.1!,f=-5.7!) USER MOD Single : A 84 LYS NZ :NH3+ -106:sc= 0.00288 (180deg=-0.117) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 62 N LYS A 5 3.095 22.903 -7.660 1.00 0.00 N ATOM 63 CA LYS A 5 3.249 21.514 -8.094 1.00 0.00 C ATOM 64 C LYS A 5 3.885 20.652 -7.006 1.00 0.00 C ATOM 65 O LYS A 5 3.725 19.433 -6.995 1.00 0.00 O ATOM 66 CB LYS A 5 4.103 21.452 -9.362 1.00 0.00 C ATOM 67 CG LYS A 5 5.306 22.380 -9.334 1.00 0.00 C ATOM 68 CD LYS A 5 6.465 21.821 -10.145 1.00 0.00 C ATOM 69 CE LYS A 5 7.705 21.626 -9.287 1.00 0.00 C ATOM 70 NZ LYS A 5 8.752 20.837 -9.994 1.00 0.00 N ATOM 0 HA LYS A 5 2.254 21.120 -8.300 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.448 20.428 -9.507 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.481 21.704 -10.221 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.023 23.356 -9.729 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.624 22.533 -8.303 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.174 20.868 -10.587 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.694 22.498 -10.968 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.110 22.599 -9.008 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.430 21.118 -8.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 9.581 20.727 -9.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.374 19.899 -10.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 9.033 21.334 -10.863 1.00 0.00 H new ATOM 84 N ALA A 6 4.616 21.292 -6.103 1.00 0.00 N ATOM 85 CA ALA A 6 5.288 20.579 -5.022 1.00 0.00 C ATOM 86 C ALA A 6 4.316 19.652 -4.295 1.00 0.00 C ATOM 87 O ALA A 6 4.702 18.584 -3.814 1.00 0.00 O ATOM 88 CB ALA A 6 5.911 21.566 -4.046 1.00 0.00 C ATOM 0 H ALA A 6 4.759 22.302 -6.096 1.00 0.00 H new ATOM 0 HA ALA A 6 6.080 19.968 -5.456 1.00 0.00 H new ATOM 0 HB1 ALA A 6 6.409 21.020 -3.245 1.00 0.00 H new ATOM 0 HB2 ALA A 6 6.639 22.185 -4.570 1.00 0.00 H new ATOM 0 HB3 ALA A 6 5.132 22.200 -3.623 1.00 0.00 H new ATOM 94 N ASN A 7 3.047 20.049 -4.237 1.00 0.00 N ATOM 95 CA ASN A 7 2.028 19.232 -3.590 1.00 0.00 C ATOM 96 C ASN A 7 1.763 17.974 -4.412 1.00 0.00 C ATOM 97 O ASN A 7 1.705 16.866 -3.876 1.00 0.00 O ATOM 98 CB ASN A 7 0.733 20.030 -3.398 1.00 0.00 C ATOM 99 CG ASN A 7 0.074 20.416 -4.710 1.00 0.00 C ATOM 100 OD1 ASN A 7 0.717 20.453 -5.757 1.00 0.00 O ATOM 101 ND2 ASN A 7 -1.219 20.711 -4.657 1.00 0.00 N ATOM 0 H ASN A 7 2.703 20.926 -4.628 1.00 0.00 H new ATOM 0 HA ASN A 7 2.394 18.938 -2.606 1.00 0.00 H new ATOM 0 HB2 ASN A 7 0.033 19.440 -2.806 1.00 0.00 H new ATOM 0 HB3 ASN A 7 0.950 20.933 -2.827 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -1.716 20.981 -5.506 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -1.716 20.668 -3.767 1.00 0.00 H new ATOM 108 N LYS A 8 1.622 18.154 -5.723 1.00 0.00 N ATOM 109 CA LYS A 8 1.384 17.038 -6.627 1.00 0.00 C ATOM 110 C LYS A 8 2.597 16.117 -6.643 1.00 0.00 C ATOM 111 O LYS A 8 2.462 14.894 -6.666 1.00 0.00 O ATOM 112 CB LYS A 8 1.093 17.547 -8.039 1.00 0.00 C ATOM 113 CG LYS A 8 0.632 16.459 -8.995 1.00 0.00 C ATOM 114 CD LYS A 8 1.798 15.870 -9.773 1.00 0.00 C ATOM 115 CE LYS A 8 2.326 16.845 -10.813 1.00 0.00 C ATOM 116 NZ LYS A 8 1.510 16.824 -12.058 1.00 0.00 N ATOM 0 H LYS A 8 1.669 19.064 -6.181 1.00 0.00 H new ATOM 0 HA LYS A 8 0.517 16.480 -6.274 1.00 0.00 H new ATOM 0 HB2 LYS A 8 0.328 18.321 -7.987 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.992 18.014 -8.440 1.00 0.00 H new ATOM 0 HG2 LYS A 8 0.131 15.669 -8.435 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.100 16.870 -9.690 1.00 0.00 H new ATOM 0 HD2 LYS A 8 2.599 15.604 -9.083 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.481 14.950 -10.264 1.00 0.00 H new ATOM 0 HE2 LYS A 8 2.329 17.853 -10.398 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.360 16.596 -11.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.902 17.502 -12.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 1.528 15.869 -12.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.529 17.086 -11.834 1.00 0.00 H new ATOM 130 N ASP A 9 3.783 16.719 -6.615 1.00 0.00 N ATOM 131 CA ASP A 9 5.023 15.959 -6.608 1.00 0.00 C ATOM 132 C ASP A 9 5.081 15.072 -5.374 1.00 0.00 C ATOM 133 O ASP A 9 5.519 13.925 -5.440 1.00 0.00 O ATOM 134 CB ASP A 9 6.228 16.902 -6.636 1.00 0.00 C ATOM 135 CG ASP A 9 7.493 16.210 -7.106 1.00 0.00 C ATOM 136 OD1 ASP A 9 7.845 15.159 -6.531 1.00 0.00 O ATOM 137 OD2 ASP A 9 8.133 16.720 -8.050 1.00 0.00 O ATOM 0 H ASP A 9 3.908 17.731 -6.597 1.00 0.00 H new ATOM 0 HA ASP A 9 5.054 15.331 -7.499 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.012 17.744 -7.294 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.390 17.310 -5.638 1.00 0.00 H new ATOM 142 N LEU A 10 4.625 15.612 -4.247 1.00 0.00 N ATOM 143 CA LEU A 10 4.612 14.866 -2.997 1.00 0.00 C ATOM 144 C LEU A 10 3.666 13.671 -3.096 1.00 0.00 C ATOM 145 O LEU A 10 4.006 12.564 -2.679 1.00 0.00 O ATOM 146 CB LEU A 10 4.194 15.775 -1.838 1.00 0.00 C ATOM 147 CG LEU A 10 5.211 15.881 -0.700 1.00 0.00 C ATOM 148 CD1 LEU A 10 5.488 14.509 -0.103 1.00 0.00 C ATOM 149 CD2 LEU A 10 6.499 16.520 -1.196 1.00 0.00 C ATOM 0 H LEU A 10 4.261 16.562 -4.176 1.00 0.00 H new ATOM 0 HA LEU A 10 5.620 14.497 -2.807 1.00 0.00 H new ATOM 0 HB2 LEU A 10 4.004 16.774 -2.230 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.252 15.409 -1.430 1.00 0.00 H new ATOM 0 HG LEU A 10 4.792 16.516 0.081 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.214 14.604 0.705 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.562 14.089 0.289 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.888 13.851 -0.874 1.00 0.00 H new ATOM 0 HD21 LEU A 10 7.212 16.588 -0.374 1.00 0.00 H new ATOM 0 HD22 LEU A 10 6.923 15.911 -1.995 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.287 17.519 -1.575 1.00 0.00 H new ATOM 161 N ILE A 11 2.476 13.903 -3.646 1.00 0.00 N ATOM 162 CA ILE A 11 1.487 12.839 -3.793 1.00 0.00 C ATOM 163 C ILE A 11 1.984 11.751 -4.740 1.00 0.00 C ATOM 164 O ILE A 11 1.968 10.569 -4.398 1.00 0.00 O ATOM 165 CB ILE A 11 0.144 13.388 -4.317 1.00 0.00 C ATOM 166 CG1 ILE A 11 -0.334 14.548 -3.443 1.00 0.00 C ATOM 167 CG2 ILE A 11 -0.902 12.283 -4.358 1.00 0.00 C ATOM 168 CD1 ILE A 11 -1.228 15.526 -4.175 1.00 0.00 C ATOM 0 H ILE A 11 2.175 14.813 -3.995 1.00 0.00 H new ATOM 0 HA ILE A 11 1.334 12.411 -2.802 1.00 0.00 H new ATOM 0 HB ILE A 11 0.292 13.759 -5.331 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.873 14.148 -2.584 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.534 15.081 -3.054 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.844 12.687 -4.730 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.563 11.485 -5.019 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.050 11.884 -3.354 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.530 16.323 -3.495 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -0.685 15.954 -5.018 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.114 15.006 -4.540 1.00 0.00 H new ATOM 180 N SER A 12 2.430 12.150 -5.928 1.00 0.00 N ATOM 181 CA SER A 12 2.931 11.194 -6.909 1.00 0.00 C ATOM 182 C SER A 12 4.202 10.525 -6.405 1.00 0.00 C ATOM 183 O SER A 12 4.412 9.333 -6.621 1.00 0.00 O ATOM 184 CB SER A 12 3.201 11.891 -8.243 1.00 0.00 C ATOM 185 OG SER A 12 3.405 10.946 -9.280 1.00 0.00 O ATOM 0 H SER A 12 2.455 13.123 -6.233 1.00 0.00 H new ATOM 0 HA SER A 12 2.170 10.428 -7.059 1.00 0.00 H new ATOM 0 HB2 SER A 12 2.361 12.537 -8.496 1.00 0.00 H new ATOM 0 HB3 SER A 12 4.079 12.531 -8.152 1.00 0.00 H new ATOM 0 HG SER A 12 3.574 11.417 -10.123 1.00 0.00 H new ATOM 191 N ALA A 13 5.043 11.296 -5.725 1.00 0.00 N ATOM 192 CA ALA A 13 6.287 10.764 -5.184 1.00 0.00 C ATOM 193 C ALA A 13 5.991 9.690 -4.150 1.00 0.00 C ATOM 194 O ALA A 13 6.663 8.660 -4.095 1.00 0.00 O ATOM 195 CB ALA A 13 7.125 11.878 -4.574 1.00 0.00 C ATOM 0 H ALA A 13 4.887 12.286 -5.536 1.00 0.00 H new ATOM 0 HA ALA A 13 6.858 10.316 -5.998 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.050 11.461 -4.175 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.361 12.617 -5.340 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.566 12.355 -3.769 1.00 0.00 H new ATOM 201 N GLY A 14 4.964 9.931 -3.341 1.00 0.00 N ATOM 202 CA GLY A 14 4.578 8.967 -2.334 1.00 0.00 C ATOM 203 C GLY A 14 3.932 7.749 -2.957 1.00 0.00 C ATOM 204 O GLY A 14 4.147 6.622 -2.510 1.00 0.00 O ATOM 0 H GLY A 14 4.394 10.777 -3.367 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.455 8.664 -1.763 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.885 9.430 -1.632 1.00 0.00 H new ATOM 208 N LEU A 15 3.147 7.980 -4.005 1.00 0.00 N ATOM 209 CA LEU A 15 2.475 6.896 -4.708 1.00 0.00 C ATOM 210 C LEU A 15 3.493 6.041 -5.457 1.00 0.00 C ATOM 211 O LEU A 15 3.385 4.813 -5.489 1.00 0.00 O ATOM 212 CB LEU A 15 1.442 7.468 -5.684 1.00 0.00 C ATOM 213 CG LEU A 15 -0.020 7.329 -5.242 1.00 0.00 C ATOM 214 CD1 LEU A 15 -0.619 8.691 -4.919 1.00 0.00 C ATOM 215 CD2 LEU A 15 -0.838 6.627 -6.318 1.00 0.00 C ATOM 0 H LEU A 15 2.962 8.908 -4.385 1.00 0.00 H new ATOM 0 HA LEU A 15 1.962 6.267 -3.980 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.659 8.525 -5.840 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.562 6.972 -6.647 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.046 6.722 -4.337 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.656 8.568 -4.608 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.051 9.156 -4.113 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.579 9.325 -5.804 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.873 6.537 -5.988 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.801 7.207 -7.240 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.427 5.634 -6.498 1.00 0.00 H new ATOM 227 N LYS A 16 4.487 6.695 -6.055 1.00 0.00 N ATOM 228 CA LYS A 16 5.525 5.992 -6.797 1.00 0.00 C ATOM 229 C LYS A 16 6.356 5.135 -5.853 1.00 0.00 C ATOM 230 O LYS A 16 6.516 3.933 -6.067 1.00 0.00 O ATOM 231 CB LYS A 16 6.423 6.992 -7.528 1.00 0.00 C ATOM 232 CG LYS A 16 7.564 6.342 -8.296 1.00 0.00 C ATOM 233 CD LYS A 16 8.823 7.193 -8.247 1.00 0.00 C ATOM 234 CE LYS A 16 10.078 6.334 -8.235 1.00 0.00 C ATOM 235 NZ LYS A 16 10.311 5.710 -6.903 1.00 0.00 N ATOM 0 H LYS A 16 4.593 7.709 -6.039 1.00 0.00 H new ATOM 0 HA LYS A 16 5.050 5.344 -7.534 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.815 7.573 -8.221 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.837 7.692 -6.803 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.772 5.358 -7.877 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.266 6.190 -9.333 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.846 7.860 -9.109 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.803 7.822 -7.357 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.991 5.554 -8.991 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.939 6.945 -8.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.035 4.969 -6.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.635 6.435 -6.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.425 5.290 -6.557 1.00 0.00 H new ATOM 249 N GLU A 17 6.871 5.759 -4.798 1.00 0.00 N ATOM 250 CA GLU A 17 7.671 5.047 -3.811 1.00 0.00 C ATOM 251 C GLU A 17 6.884 3.867 -3.258 1.00 0.00 C ATOM 252 O GLU A 17 7.434 2.791 -3.026 1.00 0.00 O ATOM 253 CB GLU A 17 8.077 5.987 -2.674 1.00 0.00 C ATOM 254 CG GLU A 17 9.397 5.615 -2.020 1.00 0.00 C ATOM 255 CD GLU A 17 9.966 6.738 -1.174 1.00 0.00 C ATOM 256 OE1 GLU A 17 9.306 7.132 -0.189 1.00 0.00 O ATOM 257 OE2 GLU A 17 11.069 7.225 -1.498 1.00 0.00 O ATOM 0 H GLU A 17 6.748 6.753 -4.606 1.00 0.00 H new ATOM 0 HA GLU A 17 8.575 4.677 -4.295 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.147 7.003 -3.061 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.293 5.988 -1.917 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.253 4.732 -1.397 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.118 5.346 -2.792 1.00 0.00 H new ATOM 264 N PHE A 18 5.586 4.079 -3.058 1.00 0.00 N ATOM 265 CA PHE A 18 4.712 3.037 -2.543 1.00 0.00 C ATOM 266 C PHE A 18 4.687 1.843 -3.488 1.00 0.00 C ATOM 267 O PHE A 18 4.773 0.694 -3.055 1.00 0.00 O ATOM 268 CB PHE A 18 3.295 3.576 -2.346 1.00 0.00 C ATOM 269 CG PHE A 18 2.438 2.705 -1.469 1.00 0.00 C ATOM 270 CD1 PHE A 18 2.587 2.727 -0.092 1.00 0.00 C ATOM 271 CD2 PHE A 18 1.486 1.866 -2.023 1.00 0.00 C ATOM 272 CE1 PHE A 18 1.802 1.928 0.717 1.00 0.00 C ATOM 273 CE2 PHE A 18 0.697 1.064 -1.219 1.00 0.00 C ATOM 274 CZ PHE A 18 0.855 1.096 0.153 1.00 0.00 C ATOM 0 H PHE A 18 5.119 4.966 -3.246 1.00 0.00 H new ATOM 0 HA PHE A 18 5.102 2.712 -1.579 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.352 4.573 -1.910 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.816 3.681 -3.320 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.325 3.376 0.355 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.358 1.838 -3.095 1.00 0.00 H new ATOM 0 HE1 PHE A 18 1.929 1.954 1.789 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.042 0.413 -1.663 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.239 0.472 0.783 1.00 0.00 H new ATOM 284 N SER A 19 4.572 2.122 -4.782 1.00 0.00 N ATOM 285 CA SER A 19 4.540 1.068 -5.790 1.00 0.00 C ATOM 286 C SER A 19 5.847 0.283 -5.800 1.00 0.00 C ATOM 287 O SER A 19 5.845 -0.939 -5.954 1.00 0.00 O ATOM 288 CB SER A 19 4.278 1.664 -7.174 1.00 0.00 C ATOM 289 OG SER A 19 5.414 2.362 -7.653 1.00 0.00 O ATOM 0 H SER A 19 4.499 3.068 -5.157 1.00 0.00 H new ATOM 0 HA SER A 19 3.730 0.384 -5.538 1.00 0.00 H new ATOM 0 HB2 SER A 19 4.015 0.869 -7.872 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.425 2.341 -7.126 1.00 0.00 H new ATOM 0 HG SER A 19 5.559 3.164 -7.108 1.00 0.00 H new ATOM 295 N VAL A 20 6.962 0.986 -5.622 1.00 0.00 N ATOM 296 CA VAL A 20 8.271 0.343 -5.599 1.00 0.00 C ATOM 297 C VAL A 20 8.406 -0.512 -4.347 1.00 0.00 C ATOM 298 O VAL A 20 8.879 -1.645 -4.398 1.00 0.00 O ATOM 299 CB VAL A 20 9.418 1.371 -5.636 1.00 0.00 C ATOM 300 CG1 VAL A 20 10.730 0.695 -5.999 1.00 0.00 C ATOM 301 CG2 VAL A 20 9.100 2.495 -6.612 1.00 0.00 C ATOM 0 H VAL A 20 6.985 1.997 -5.492 1.00 0.00 H new ATOM 0 HA VAL A 20 8.344 -0.279 -6.491 1.00 0.00 H new ATOM 0 HB VAL A 20 9.523 1.805 -4.642 1.00 0.00 H new ATOM 0 HG11 VAL A 20 11.528 1.437 -6.020 1.00 0.00 H new ATOM 0 HG12 VAL A 20 10.964 -0.068 -5.257 1.00 0.00 H new ATOM 0 HG13 VAL A 20 10.640 0.230 -6.981 1.00 0.00 H new ATOM 0 HG21 VAL A 20 9.922 3.210 -6.623 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.965 2.082 -7.611 1.00 0.00 H new ATOM 0 HG23 VAL A 20 8.185 2.999 -6.301 1.00 0.00 H new ATOM 311 N LEU A 21 7.951 0.041 -3.228 1.00 0.00 N ATOM 312 CA LEU A 21 7.984 -0.673 -1.960 1.00 0.00 C ATOM 313 C LEU A 21 7.109 -1.916 -2.071 1.00 0.00 C ATOM 314 O LEU A 21 7.468 -3.002 -1.616 1.00 0.00 O ATOM 315 CB LEU A 21 7.491 0.234 -0.825 1.00 0.00 C ATOM 316 CG LEU A 21 7.088 -0.483 0.469 1.00 0.00 C ATOM 317 CD1 LEU A 21 8.103 -1.557 0.830 1.00 0.00 C ATOM 318 CD2 LEU A 21 6.942 0.519 1.606 1.00 0.00 C ATOM 0 H LEU A 21 7.556 0.980 -3.175 1.00 0.00 H new ATOM 0 HA LEU A 21 9.008 -0.970 -1.732 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.276 0.953 -0.591 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.634 0.804 -1.185 1.00 0.00 H new ATOM 0 HG LEU A 21 6.125 -0.967 0.307 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.797 -2.052 1.751 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.159 -2.290 0.025 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.082 -1.099 0.972 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.656 -0.005 2.518 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.891 1.031 1.764 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.174 1.250 1.351 1.00 0.00 H new ATOM 330 N LEU A 22 5.949 -1.729 -2.678 1.00 0.00 N ATOM 331 CA LEU A 22 4.987 -2.803 -2.869 1.00 0.00 C ATOM 332 C LEU A 22 5.533 -3.900 -3.788 1.00 0.00 C ATOM 333 O LEU A 22 5.222 -5.077 -3.607 1.00 0.00 O ATOM 334 CB LEU A 22 3.696 -2.231 -3.459 1.00 0.00 C ATOM 335 CG LEU A 22 2.420 -2.983 -3.088 1.00 0.00 C ATOM 336 CD1 LEU A 22 1.217 -2.382 -3.801 1.00 0.00 C ATOM 337 CD2 LEU A 22 2.563 -4.459 -3.422 1.00 0.00 C ATOM 0 H LEU A 22 5.647 -0.829 -3.052 1.00 0.00 H new ATOM 0 HA LEU A 22 4.789 -3.254 -1.897 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.595 -1.195 -3.134 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.787 -2.217 -4.545 1.00 0.00 H new ATOM 0 HG LEU A 22 2.259 -2.887 -2.014 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.318 -2.932 -3.524 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.107 -1.337 -3.512 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.363 -2.446 -4.879 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.646 -4.984 -3.152 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.746 -4.574 -4.490 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.399 -4.879 -2.863 1.00 0.00 H new ATOM 349 N ASN A 23 6.325 -3.513 -4.787 1.00 0.00 N ATOM 350 CA ASN A 23 6.871 -4.480 -5.741 1.00 0.00 C ATOM 351 C ASN A 23 8.131 -5.180 -5.223 1.00 0.00 C ATOM 352 O ASN A 23 8.424 -6.307 -5.625 1.00 0.00 O ATOM 353 CB ASN A 23 7.142 -3.805 -7.097 1.00 0.00 C ATOM 354 CG ASN A 23 8.378 -2.921 -7.114 1.00 0.00 C ATOM 355 OD1 ASN A 23 9.309 -3.104 -6.332 1.00 0.00 O ATOM 356 ND2 ASN A 23 8.394 -1.956 -8.026 1.00 0.00 N ATOM 0 H ASN A 23 6.602 -2.546 -4.957 1.00 0.00 H new ATOM 0 HA ASN A 23 6.116 -5.255 -5.872 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.250 -4.576 -7.860 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.275 -3.204 -7.371 1.00 0.00 H new ATOM 0 HD21 ASN A 23 9.199 -1.334 -8.096 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.601 -1.837 -8.657 1.00 0.00 H new ATOM 363 N GLN A 24 8.888 -4.515 -4.352 1.00 0.00 N ATOM 364 CA GLN A 24 10.123 -5.101 -3.823 1.00 0.00 C ATOM 365 C GLN A 24 9.861 -6.339 -2.958 1.00 0.00 C ATOM 366 O GLN A 24 10.798 -6.927 -2.419 1.00 0.00 O ATOM 367 CB GLN A 24 10.924 -4.065 -3.028 1.00 0.00 C ATOM 368 CG GLN A 24 10.102 -3.311 -2.002 1.00 0.00 C ATOM 369 CD GLN A 24 10.955 -2.458 -1.083 1.00 0.00 C ATOM 370 OE1 GLN A 24 11.112 -2.766 0.099 1.00 0.00 O ATOM 371 NE2 GLN A 24 11.508 -1.378 -1.623 1.00 0.00 N ATOM 0 H GLN A 24 8.674 -3.582 -4.000 1.00 0.00 H new ATOM 0 HA GLN A 24 10.708 -5.421 -4.685 1.00 0.00 H new ATOM 0 HB2 GLN A 24 11.748 -4.568 -2.521 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.365 -3.350 -3.722 1.00 0.00 H new ATOM 0 HG2 GLN A 24 9.381 -2.675 -2.516 1.00 0.00 H new ATOM 0 HG3 GLN A 24 9.531 -4.023 -1.405 1.00 0.00 H new ATOM 0 HE21 GLN A 24 11.350 -1.162 -2.607 1.00 0.00 H new ATOM 0 HE22 GLN A 24 12.091 -0.764 -1.053 1.00 0.00 H new ATOM 380 N GLN A 25 8.600 -6.752 -2.846 1.00 0.00 N ATOM 381 CA GLN A 25 8.262 -7.940 -2.069 1.00 0.00 C ATOM 382 C GLN A 25 8.893 -9.168 -2.719 1.00 0.00 C ATOM 383 O GLN A 25 9.526 -9.054 -3.769 1.00 0.00 O ATOM 384 CB GLN A 25 6.744 -8.098 -1.974 1.00 0.00 C ATOM 385 CG GLN A 25 6.195 -7.871 -0.574 1.00 0.00 C ATOM 386 CD GLN A 25 6.474 -6.472 -0.060 1.00 0.00 C ATOM 387 OE1 GLN A 25 7.323 -6.275 0.808 1.00 0.00 O ATOM 388 NE2 GLN A 25 5.756 -5.492 -0.596 1.00 0.00 N ATOM 0 H GLN A 25 7.803 -6.286 -3.279 1.00 0.00 H new ATOM 0 HA GLN A 25 8.654 -7.834 -1.058 1.00 0.00 H new ATOM 0 HB2 GLN A 25 6.270 -7.395 -2.659 1.00 0.00 H new ATOM 0 HB3 GLN A 25 6.470 -9.100 -2.305 1.00 0.00 H new ATOM 0 HG2 GLN A 25 5.119 -8.046 -0.577 1.00 0.00 H new ATOM 0 HG3 GLN A 25 6.635 -8.599 0.108 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.062 -5.702 -1.314 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.898 -4.529 -0.290 1.00 0.00 H new ATOM 397 N VAL A 26 8.745 -10.338 -2.103 1.00 0.00 N ATOM 398 CA VAL A 26 9.340 -11.547 -2.663 1.00 0.00 C ATOM 399 C VAL A 26 8.328 -12.395 -3.432 1.00 0.00 C ATOM 400 O VAL A 26 8.220 -13.603 -3.218 1.00 0.00 O ATOM 401 CB VAL A 26 9.990 -12.408 -1.562 1.00 0.00 C ATOM 402 CG1 VAL A 26 8.940 -12.906 -0.579 1.00 0.00 C ATOM 403 CG2 VAL A 26 10.757 -13.573 -2.173 1.00 0.00 C ATOM 0 H VAL A 26 8.229 -10.474 -1.234 1.00 0.00 H new ATOM 0 HA VAL A 26 10.104 -11.211 -3.364 1.00 0.00 H new ATOM 0 HB VAL A 26 10.698 -11.786 -1.015 1.00 0.00 H new ATOM 0 HG11 VAL A 26 9.420 -13.512 0.190 1.00 0.00 H new ATOM 0 HG12 VAL A 26 8.444 -12.054 -0.113 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.203 -13.509 -1.109 1.00 0.00 H new ATOM 0 HG21 VAL A 26 11.208 -14.168 -1.379 1.00 0.00 H new ATOM 0 HG22 VAL A 26 10.073 -14.196 -2.750 1.00 0.00 H new ATOM 0 HG23 VAL A 26 11.539 -13.190 -2.828 1.00 0.00 H new ATOM 413 N PHE A 27 7.594 -11.755 -4.335 1.00 0.00 N ATOM 414 CA PHE A 27 6.599 -12.464 -5.135 1.00 0.00 C ATOM 415 C PHE A 27 7.279 -13.464 -6.067 1.00 0.00 C ATOM 416 O PHE A 27 7.554 -13.154 -7.226 1.00 0.00 O ATOM 417 CB PHE A 27 5.760 -11.491 -5.965 1.00 0.00 C ATOM 418 CG PHE A 27 5.006 -10.475 -5.159 1.00 0.00 C ATOM 419 CD1 PHE A 27 3.813 -10.808 -4.540 1.00 0.00 C ATOM 420 CD2 PHE A 27 5.482 -9.181 -5.037 1.00 0.00 C ATOM 421 CE1 PHE A 27 3.109 -9.869 -3.811 1.00 0.00 C ATOM 422 CE2 PHE A 27 4.781 -8.236 -4.313 1.00 0.00 C ATOM 423 CZ PHE A 27 3.594 -8.581 -3.699 1.00 0.00 C ATOM 0 H PHE A 27 7.667 -10.757 -4.531 1.00 0.00 H new ATOM 0 HA PHE A 27 5.941 -12.995 -4.447 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.416 -10.969 -6.662 1.00 0.00 H new ATOM 0 HB3 PHE A 27 5.049 -12.062 -6.562 1.00 0.00 H new ATOM 0 HD1 PHE A 27 3.428 -11.813 -4.628 1.00 0.00 H new ATOM 0 HD2 PHE A 27 6.412 -8.907 -5.513 1.00 0.00 H new ATOM 0 HE1 PHE A 27 2.181 -10.142 -3.330 1.00 0.00 H new ATOM 0 HE2 PHE A 27 5.161 -7.229 -4.228 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.045 -7.844 -3.131 1.00 0.00 H new ATOM 433 N ASN A 28 7.548 -14.663 -5.557 1.00 0.00 N ATOM 434 CA ASN A 28 8.196 -15.706 -6.347 1.00 0.00 C ATOM 435 C ASN A 28 8.151 -17.039 -5.606 1.00 0.00 C ATOM 436 O ASN A 28 7.816 -18.075 -6.182 1.00 0.00 O ATOM 437 CB ASN A 28 9.645 -15.322 -6.653 1.00 0.00 C ATOM 438 CG ASN A 28 10.155 -15.963 -7.929 1.00 0.00 C ATOM 439 OD1 ASN A 28 9.559 -15.809 -8.996 1.00 0.00 O ATOM 440 ND2 ASN A 28 11.264 -16.686 -7.827 1.00 0.00 N ATOM 0 H ASN A 28 7.327 -14.936 -4.600 1.00 0.00 H new ATOM 0 HA ASN A 28 7.656 -15.810 -7.288 1.00 0.00 H new ATOM 0 HB2 ASN A 28 9.721 -14.238 -6.739 1.00 0.00 H new ATOM 0 HB3 ASN A 28 10.281 -15.621 -5.820 1.00 0.00 H new ATOM 0 HD21 ASN A 28 11.654 -17.140 -8.653 1.00 0.00 H new ATOM 0 HD22 ASN A 28 11.725 -16.787 -6.923 1.00 0.00 H new ATOM 447 N ASP A 29 8.478 -16.993 -4.321 1.00 0.00 N ATOM 448 CA ASP A 29 8.466 -18.183 -3.475 1.00 0.00 C ATOM 449 C ASP A 29 7.604 -17.937 -2.242 1.00 0.00 C ATOM 450 O ASP A 29 8.023 -17.252 -1.308 1.00 0.00 O ATOM 451 CB ASP A 29 9.890 -18.556 -3.056 1.00 0.00 C ATOM 452 CG ASP A 29 10.597 -17.423 -2.341 1.00 0.00 C ATOM 453 OD1 ASP A 29 11.221 -16.585 -3.026 1.00 0.00 O ATOM 454 OD2 ASP A 29 10.525 -17.371 -1.095 1.00 0.00 O ATOM 0 H ASP A 29 8.757 -16.139 -3.838 1.00 0.00 H new ATOM 0 HA ASP A 29 8.044 -19.011 -4.044 1.00 0.00 H new ATOM 0 HB2 ASP A 29 9.857 -19.429 -2.404 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.463 -18.839 -3.939 1.00 0.00 H new ATOM 459 N ALA A 30 6.365 -18.419 -2.283 1.00 0.00 N ATOM 460 CA ALA A 30 5.415 -18.159 -1.208 1.00 0.00 C ATOM 461 C ALA A 30 5.734 -18.905 0.085 1.00 0.00 C ATOM 462 O ALA A 30 6.555 -19.819 0.115 1.00 0.00 O ATOM 463 CB ALA A 30 4.006 -18.504 -1.663 1.00 0.00 C ATOM 0 H ALA A 30 5.998 -18.989 -3.045 1.00 0.00 H new ATOM 0 HA ALA A 30 5.494 -17.095 -0.983 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.304 -18.306 -0.853 1.00 0.00 H new ATOM 0 HB2 ALA A 30 3.743 -17.895 -2.528 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.959 -19.559 -1.935 1.00 0.00 H new ATOM 469 N LEU A 31 5.071 -18.422 1.144 1.00 0.00 N ATOM 470 CA LEU A 31 5.207 -18.903 2.526 1.00 0.00 C ATOM 471 C LEU A 31 5.608 -17.716 3.394 1.00 0.00 C ATOM 472 O LEU A 31 5.608 -16.588 2.904 1.00 0.00 O ATOM 473 CB LEU A 31 6.235 -20.035 2.659 1.00 0.00 C ATOM 474 CG LEU A 31 5.755 -21.404 2.168 1.00 0.00 C ATOM 475 CD1 LEU A 31 6.815 -22.464 2.418 1.00 0.00 C ATOM 476 CD2 LEU A 31 4.447 -21.781 2.844 1.00 0.00 C ATOM 0 H LEU A 31 4.401 -17.658 1.059 1.00 0.00 H new ATOM 0 HA LEU A 31 4.253 -19.321 2.849 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.131 -19.760 2.103 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.524 -20.122 3.706 1.00 0.00 H new ATOM 0 HG LEU A 31 5.581 -21.344 1.094 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.455 -23.429 2.062 1.00 0.00 H new ATOM 0 HD12 LEU A 31 7.728 -22.198 1.885 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.023 -22.526 3.486 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.119 -22.756 2.484 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.594 -21.823 3.923 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.688 -21.034 2.610 1.00 0.00 H new ATOM 488 N VAL A 32 5.941 -17.941 4.668 1.00 0.00 N ATOM 489 CA VAL A 32 6.331 -16.850 5.567 1.00 0.00 C ATOM 490 C VAL A 32 5.107 -16.220 6.239 1.00 0.00 C ATOM 491 O VAL A 32 5.185 -15.124 6.794 1.00 0.00 O ATOM 492 CB VAL A 32 7.180 -15.764 4.847 1.00 0.00 C ATOM 493 CG1 VAL A 32 6.349 -14.551 4.443 1.00 0.00 C ATOM 494 CG2 VAL A 32 8.349 -15.343 5.726 1.00 0.00 C ATOM 0 H VAL A 32 5.949 -18.865 5.100 1.00 0.00 H new ATOM 0 HA VAL A 32 6.960 -17.293 6.339 1.00 0.00 H new ATOM 0 HB VAL A 32 7.563 -16.207 3.928 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.988 -13.822 3.944 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.556 -14.863 3.764 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.909 -14.099 5.332 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.936 -14.582 5.211 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.971 -14.936 6.664 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.978 -16.208 5.933 1.00 0.00 H new ATOM 504 N SER A 33 3.981 -16.929 6.191 1.00 0.00 N ATOM 505 CA SER A 33 2.744 -16.451 6.798 1.00 0.00 C ATOM 506 C SER A 33 2.263 -15.167 6.131 1.00 0.00 C ATOM 507 O SER A 33 3.046 -14.254 5.880 1.00 0.00 O ATOM 508 CB SER A 33 2.939 -16.224 8.299 1.00 0.00 C ATOM 509 OG SER A 33 3.457 -14.931 8.562 1.00 0.00 O ATOM 0 H SER A 33 3.901 -17.839 5.736 1.00 0.00 H new ATOM 0 HA SER A 33 1.982 -17.216 6.651 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.987 -16.348 8.814 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.618 -16.978 8.698 1.00 0.00 H new ATOM 0 HG SER A 33 3.952 -14.611 7.779 1.00 0.00 H new ATOM 515 N GLU A 34 0.966 -15.107 5.849 1.00 0.00 N ATOM 516 CA GLU A 34 0.373 -13.938 5.213 1.00 0.00 C ATOM 517 C GLU A 34 0.247 -12.786 6.202 1.00 0.00 C ATOM 518 O GLU A 34 0.287 -11.619 5.818 1.00 0.00 O ATOM 519 CB GLU A 34 -1.005 -14.280 4.645 1.00 0.00 C ATOM 520 CG GLU A 34 -1.901 -15.015 5.630 1.00 0.00 C ATOM 521 CD GLU A 34 -3.214 -14.297 5.874 1.00 0.00 C ATOM 522 OE1 GLU A 34 -3.185 -13.184 6.438 1.00 0.00 O ATOM 523 OE2 GLU A 34 -4.271 -14.849 5.502 1.00 0.00 O ATOM 0 H GLU A 34 0.305 -15.857 6.052 1.00 0.00 H new ATOM 0 HA GLU A 34 1.030 -13.631 4.399 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.499 -13.360 4.333 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.880 -14.893 3.753 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.104 -16.017 5.252 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.374 -15.132 6.577 1.00 0.00 H new ATOM 530 N GLU A 35 0.083 -13.122 7.476 1.00 0.00 N ATOM 531 CA GLU A 35 -0.063 -12.115 8.520 1.00 0.00 C ATOM 532 C GLU A 35 1.172 -11.227 8.614 1.00 0.00 C ATOM 533 O GLU A 35 1.060 -10.028 8.871 1.00 0.00 O ATOM 534 CB GLU A 35 -0.329 -12.783 9.871 1.00 0.00 C ATOM 535 CG GLU A 35 -1.629 -13.569 9.915 1.00 0.00 C ATOM 536 CD GLU A 35 -1.414 -15.061 9.754 1.00 0.00 C ATOM 537 OE1 GLU A 35 -0.712 -15.654 10.602 1.00 0.00 O ATOM 538 OE2 GLU A 35 -1.946 -15.637 8.782 1.00 0.00 O ATOM 0 H GLU A 35 0.048 -14.085 7.811 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.914 -11.486 8.256 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.499 -13.452 10.105 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.350 -12.018 10.647 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.133 -13.378 10.863 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.291 -13.214 9.125 1.00 0.00 H new ATOM 545 N ASP A 36 2.350 -11.809 8.405 1.00 0.00 N ATOM 546 CA ASP A 36 3.585 -11.039 8.470 1.00 0.00 C ATOM 547 C ASP A 36 3.592 -9.974 7.379 1.00 0.00 C ATOM 548 O ASP A 36 3.760 -8.784 7.658 1.00 0.00 O ATOM 549 CB ASP A 36 4.812 -11.965 8.371 1.00 0.00 C ATOM 550 CG ASP A 36 5.435 -12.014 6.985 1.00 0.00 C ATOM 551 OD1 ASP A 36 4.782 -12.536 6.059 1.00 0.00 O ATOM 552 OD2 ASP A 36 6.575 -11.528 6.830 1.00 0.00 O ATOM 0 H ASP A 36 2.474 -12.799 8.192 1.00 0.00 H new ATOM 0 HA ASP A 36 3.640 -10.534 9.435 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.565 -11.632 9.086 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.519 -12.973 8.663 1.00 0.00 H new ATOM 557 N MET A 37 3.379 -10.400 6.139 1.00 0.00 N ATOM 558 CA MET A 37 3.335 -9.471 5.023 1.00 0.00 C ATOM 559 C MET A 37 2.213 -8.472 5.249 1.00 0.00 C ATOM 560 O MET A 37 2.391 -7.267 5.077 1.00 0.00 O ATOM 561 CB MET A 37 3.122 -10.218 3.706 1.00 0.00 C ATOM 562 CG MET A 37 3.206 -9.323 2.480 1.00 0.00 C ATOM 563 SD MET A 37 4.829 -8.564 2.284 1.00 0.00 S ATOM 564 CE MET A 37 5.871 -10.017 2.183 1.00 0.00 C ATOM 0 H MET A 37 3.235 -11.377 5.885 1.00 0.00 H new ATOM 0 HA MET A 37 4.286 -8.943 4.961 1.00 0.00 H new ATOM 0 HB2 MET A 37 3.868 -11.008 3.621 1.00 0.00 H new ATOM 0 HB3 MET A 37 2.146 -10.702 3.726 1.00 0.00 H new ATOM 0 HG2 MET A 37 2.973 -9.909 1.591 1.00 0.00 H new ATOM 0 HG3 MET A 37 2.450 -8.541 2.553 1.00 0.00 H new ATOM 0 HE1 MET A 37 6.918 -9.715 2.185 1.00 0.00 H new ATOM 0 HE2 MET A 37 5.678 -10.663 3.039 1.00 0.00 H new ATOM 0 HE3 MET A 37 5.652 -10.559 1.263 1.00 0.00 H new ATOM 574 N VAL A 38 1.041 -8.991 5.613 1.00 0.00 N ATOM 575 CA VAL A 38 -0.120 -8.149 5.835 1.00 0.00 C ATOM 576 C VAL A 38 0.179 -7.081 6.881 1.00 0.00 C ATOM 577 O VAL A 38 -0.158 -5.914 6.681 1.00 0.00 O ATOM 578 CB VAL A 38 -1.337 -8.987 6.284 1.00 0.00 C ATOM 579 CG1 VAL A 38 -2.503 -8.095 6.690 1.00 0.00 C ATOM 580 CG2 VAL A 38 -1.754 -9.948 5.181 1.00 0.00 C ATOM 0 H VAL A 38 0.877 -9.987 5.758 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.359 -7.664 4.889 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.043 -9.567 7.159 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.344 -8.715 7.001 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.200 -7.454 7.517 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.801 -7.478 5.843 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.613 -10.532 5.512 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.022 -9.383 4.288 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.926 -10.619 4.951 1.00 0.00 H new ATOM 590 N THR A 39 0.817 -7.455 7.990 1.00 0.00 N ATOM 591 CA THR A 39 1.143 -6.480 9.020 1.00 0.00 C ATOM 592 C THR A 39 2.125 -5.449 8.479 1.00 0.00 C ATOM 593 O THR A 39 2.088 -4.281 8.865 1.00 0.00 O ATOM 594 CB THR A 39 1.735 -7.177 10.246 1.00 0.00 C ATOM 595 OG1 THR A 39 0.872 -8.202 10.706 1.00 0.00 O ATOM 596 CG2 THR A 39 1.989 -6.237 11.404 1.00 0.00 C ATOM 0 H THR A 39 1.112 -8.410 8.193 1.00 0.00 H new ATOM 0 HA THR A 39 0.226 -5.971 9.317 1.00 0.00 H new ATOM 0 HB THR A 39 2.690 -7.584 9.913 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.105 -9.047 10.268 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.409 -6.795 12.241 1.00 0.00 H new ATOM 0 HG22 THR A 39 2.691 -5.462 11.096 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.050 -5.775 11.710 1.00 0.00 H new ATOM 604 N VAL A 40 2.996 -5.886 7.572 1.00 0.00 N ATOM 605 CA VAL A 40 3.978 -4.994 6.970 1.00 0.00 C ATOM 606 C VAL A 40 3.294 -3.958 6.085 1.00 0.00 C ATOM 607 O VAL A 40 3.594 -2.766 6.161 1.00 0.00 O ATOM 608 CB VAL A 40 5.010 -5.775 6.132 1.00 0.00 C ATOM 609 CG1 VAL A 40 6.097 -4.844 5.617 1.00 0.00 C ATOM 610 CG2 VAL A 40 5.613 -6.910 6.949 1.00 0.00 C ATOM 0 H VAL A 40 3.040 -6.850 7.240 1.00 0.00 H new ATOM 0 HA VAL A 40 4.498 -4.490 7.785 1.00 0.00 H new ATOM 0 HB VAL A 40 4.498 -6.208 5.272 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.815 -5.414 5.028 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.648 -4.071 4.993 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.607 -4.379 6.460 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.339 -7.450 6.341 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.109 -6.501 7.829 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.823 -7.592 7.262 1.00 0.00 H new ATOM 620 N VAL A 41 2.363 -4.418 5.252 1.00 0.00 N ATOM 621 CA VAL A 41 1.627 -3.526 4.364 1.00 0.00 C ATOM 622 C VAL A 41 0.873 -2.474 5.167 1.00 0.00 C ATOM 623 O VAL A 41 1.007 -1.274 4.921 1.00 0.00 O ATOM 624 CB VAL A 41 0.616 -4.297 3.492 1.00 0.00 C ATOM 625 CG1 VAL A 41 0.039 -3.390 2.416 1.00 0.00 C ATOM 626 CG2 VAL A 41 1.263 -5.526 2.871 1.00 0.00 C ATOM 0 H VAL A 41 2.102 -5.401 5.175 1.00 0.00 H new ATOM 0 HA VAL A 41 2.361 -3.047 3.716 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.200 -4.633 4.132 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.673 -3.951 1.810 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.469 -2.547 2.885 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.844 -3.021 1.781 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.530 -6.054 2.260 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.102 -5.219 2.247 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.621 -6.187 3.660 1.00 0.00 H new ATOM 636 N GLU A 42 0.087 -2.936 6.137 1.00 0.00 N ATOM 637 CA GLU A 42 -0.686 -2.041 6.990 1.00 0.00 C ATOM 638 C GLU A 42 0.235 -1.107 7.762 1.00 0.00 C ATOM 639 O GLU A 42 -0.049 0.083 7.906 1.00 0.00 O ATOM 640 CB GLU A 42 -1.544 -2.849 7.966 1.00 0.00 C ATOM 641 CG GLU A 42 -2.890 -2.209 8.266 1.00 0.00 C ATOM 642 CD GLU A 42 -3.488 -2.694 9.571 1.00 0.00 C ATOM 643 OE1 GLU A 42 -4.090 -3.790 9.578 1.00 0.00 O ATOM 644 OE2 GLU A 42 -3.357 -1.979 10.587 1.00 0.00 O ATOM 0 H GLU A 42 -0.030 -3.926 6.351 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.338 -1.442 6.355 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.708 -3.845 7.554 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.996 -2.977 8.899 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.773 -1.126 8.305 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.581 -2.426 7.451 1.00 0.00 H new ATOM 651 N ASP A 43 1.342 -1.653 8.254 1.00 0.00 N ATOM 652 CA ASP A 43 2.310 -0.868 9.008 1.00 0.00 C ATOM 653 C ASP A 43 2.795 0.321 8.187 1.00 0.00 C ATOM 654 O ASP A 43 2.807 1.455 8.664 1.00 0.00 O ATOM 655 CB ASP A 43 3.499 -1.740 9.419 1.00 0.00 C ATOM 656 CG ASP A 43 3.381 -2.243 10.845 1.00 0.00 C ATOM 657 OD1 ASP A 43 2.439 -3.013 11.126 1.00 0.00 O ATOM 658 OD2 ASP A 43 4.232 -1.868 11.679 1.00 0.00 O ATOM 0 H ASP A 43 1.590 -2.636 8.144 1.00 0.00 H new ATOM 0 HA ASP A 43 1.819 -0.493 9.906 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.574 -2.591 8.742 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.420 -1.167 9.314 1.00 0.00 H new ATOM 663 N TRP A 44 3.197 0.053 6.948 1.00 0.00 N ATOM 664 CA TRP A 44 3.686 1.099 6.059 1.00 0.00 C ATOM 665 C TRP A 44 2.623 2.170 5.835 1.00 0.00 C ATOM 666 O TRP A 44 2.902 3.365 5.937 1.00 0.00 O ATOM 667 CB TRP A 44 4.101 0.495 4.716 1.00 0.00 C ATOM 668 CG TRP A 44 5.325 -0.365 4.803 1.00 0.00 C ATOM 669 CD1 TRP A 44 6.327 -0.273 5.725 1.00 0.00 C ATOM 670 CD2 TRP A 44 5.678 -1.447 3.933 1.00 0.00 C ATOM 671 NE1 TRP A 44 7.283 -1.230 5.481 1.00 0.00 N ATOM 672 CE2 TRP A 44 6.906 -1.963 4.386 1.00 0.00 C ATOM 673 CE3 TRP A 44 5.074 -2.028 2.813 1.00 0.00 C ATOM 674 CZ2 TRP A 44 7.541 -3.033 3.760 1.00 0.00 C ATOM 675 CZ3 TRP A 44 5.705 -3.091 2.193 1.00 0.00 C ATOM 676 CH2 TRP A 44 6.927 -3.584 2.668 1.00 0.00 C ATOM 0 H TRP A 44 3.193 -0.881 6.538 1.00 0.00 H new ATOM 0 HA TRP A 44 4.551 1.566 6.530 1.00 0.00 H new ATOM 0 HB2 TRP A 44 3.276 -0.099 4.323 1.00 0.00 H new ATOM 0 HB3 TRP A 44 4.282 1.300 4.004 1.00 0.00 H new ATOM 0 HD1 TRP A 44 6.363 0.447 6.529 1.00 0.00 H new ATOM 0 HE1 TRP A 44 8.134 -1.371 6.026 1.00 0.00 H new ATOM 0 HE3 TRP A 44 4.132 -1.653 2.439 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 8.484 -3.414 4.123 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 5.248 -3.549 1.328 1.00 0.00 H new ATOM 0 HH2 TRP A 44 7.394 -4.416 2.162 1.00 0.00 H new ATOM 687 N MET A 45 1.406 1.738 5.511 1.00 0.00 N ATOM 688 CA MET A 45 0.308 2.671 5.255 1.00 0.00 C ATOM 689 C MET A 45 0.135 3.654 6.403 1.00 0.00 C ATOM 690 O MET A 45 0.045 4.862 6.188 1.00 0.00 O ATOM 691 CB MET A 45 -1.008 1.922 5.026 1.00 0.00 C ATOM 692 CG MET A 45 -0.851 0.617 4.266 1.00 0.00 C ATOM 693 SD MET A 45 -2.133 0.375 3.022 1.00 0.00 S ATOM 694 CE MET A 45 -3.585 0.218 4.059 1.00 0.00 C ATOM 0 H MET A 45 1.155 0.754 5.420 1.00 0.00 H new ATOM 0 HA MET A 45 0.566 3.226 4.353 1.00 0.00 H new ATOM 0 HB2 MET A 45 -1.469 1.715 5.992 1.00 0.00 H new ATOM 0 HB3 MET A 45 -1.692 2.570 4.478 1.00 0.00 H new ATOM 0 HG2 MET A 45 0.126 0.598 3.783 1.00 0.00 H new ATOM 0 HG3 MET A 45 -0.874 -0.214 4.971 1.00 0.00 H new ATOM 0 HE1 MET A 45 -4.459 0.027 3.436 1.00 0.00 H new ATOM 0 HE2 MET A 45 -3.448 -0.610 4.754 1.00 0.00 H new ATOM 0 HE3 MET A 45 -3.734 1.141 4.619 1.00 0.00 H new ATOM 704 N ASN A 46 0.089 3.135 7.620 1.00 0.00 N ATOM 705 CA ASN A 46 -0.077 3.979 8.798 1.00 0.00 C ATOM 706 C ASN A 46 1.119 4.906 8.976 1.00 0.00 C ATOM 707 O ASN A 46 0.963 6.075 9.327 1.00 0.00 O ATOM 708 CB ASN A 46 -0.259 3.114 10.048 1.00 0.00 C ATOM 709 CG ASN A 46 -0.506 3.941 11.294 1.00 0.00 C ATOM 710 OD1 ASN A 46 -0.890 5.108 11.214 1.00 0.00 O ATOM 711 ND2 ASN A 46 -0.286 3.339 12.457 1.00 0.00 N ATOM 0 H ASN A 46 0.164 2.138 7.820 1.00 0.00 H new ATOM 0 HA ASN A 46 -0.968 4.590 8.654 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -1.096 2.433 9.896 1.00 0.00 H new ATOM 0 HB3 ASN A 46 0.630 2.500 10.194 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -0.435 3.846 13.330 1.00 0.00 H new ATOM 0 HD22 ASN A 46 0.032 2.370 12.478 1.00 0.00 H new ATOM 718 N PHE A 47 2.311 4.380 8.722 1.00 0.00 N ATOM 719 CA PHE A 47 3.529 5.169 8.846 1.00 0.00 C ATOM 720 C PHE A 47 3.537 6.296 7.821 1.00 0.00 C ATOM 721 O PHE A 47 4.008 7.401 8.096 1.00 0.00 O ATOM 722 CB PHE A 47 4.761 4.279 8.660 1.00 0.00 C ATOM 723 CG PHE A 47 6.062 5.025 8.743 1.00 0.00 C ATOM 724 CD1 PHE A 47 6.530 5.751 7.660 1.00 0.00 C ATOM 725 CD2 PHE A 47 6.818 4.998 9.904 1.00 0.00 C ATOM 726 CE1 PHE A 47 7.727 6.438 7.732 1.00 0.00 C ATOM 727 CE2 PHE A 47 8.016 5.684 9.983 1.00 0.00 C ATOM 728 CZ PHE A 47 8.471 6.404 8.896 1.00 0.00 C ATOM 0 H PHE A 47 2.460 3.414 8.430 1.00 0.00 H new ATOM 0 HA PHE A 47 3.559 5.604 9.845 1.00 0.00 H new ATOM 0 HB2 PHE A 47 4.752 3.497 9.419 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.698 3.783 7.691 1.00 0.00 H new ATOM 0 HD1 PHE A 47 5.952 5.781 6.748 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.468 4.435 10.756 1.00 0.00 H new ATOM 0 HE1 PHE A 47 8.080 7.000 6.880 1.00 0.00 H new ATOM 0 HE2 PHE A 47 8.595 5.657 10.894 1.00 0.00 H new ATOM 0 HZ PHE A 47 9.407 6.940 8.956 1.00 0.00 H new ATOM 738 N TYR A 48 3.005 6.009 6.638 1.00 0.00 N ATOM 739 CA TYR A 48 2.946 6.996 5.569 1.00 0.00 C ATOM 740 C TYR A 48 1.976 8.118 5.921 1.00 0.00 C ATOM 741 O TYR A 48 2.320 9.293 5.825 1.00 0.00 O ATOM 742 CB TYR A 48 2.532 6.335 4.254 1.00 0.00 C ATOM 743 CG TYR A 48 3.704 5.873 3.416 1.00 0.00 C ATOM 744 CD1 TYR A 48 4.741 6.741 3.102 1.00 0.00 C ATOM 745 CD2 TYR A 48 3.772 4.569 2.942 1.00 0.00 C ATOM 746 CE1 TYR A 48 5.813 6.324 2.337 1.00 0.00 C ATOM 747 CE2 TYR A 48 4.841 4.144 2.177 1.00 0.00 C ATOM 748 CZ TYR A 48 5.859 5.024 1.877 1.00 0.00 C ATOM 749 OH TYR A 48 6.926 4.604 1.117 1.00 0.00 O ATOM 0 H TYR A 48 2.609 5.101 6.396 1.00 0.00 H new ATOM 0 HA TYR A 48 3.941 7.425 5.449 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.892 5.480 4.472 1.00 0.00 H new ATOM 0 HB3 TYR A 48 1.936 7.040 3.674 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.709 7.759 3.462 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.977 3.877 3.175 1.00 0.00 H new ATOM 0 HE1 TYR A 48 6.611 7.012 2.100 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.879 3.127 1.816 1.00 0.00 H new ATOM 0 HH TYR A 48 6.805 3.662 0.875 1.00 0.00 H new ATOM 759 N ILE A 49 0.763 7.754 6.325 1.00 0.00 N ATOM 760 CA ILE A 49 -0.243 8.746 6.686 1.00 0.00 C ATOM 761 C ILE A 49 0.269 9.657 7.801 1.00 0.00 C ATOM 762 O ILE A 49 0.231 10.881 7.682 1.00 0.00 O ATOM 763 CB ILE A 49 -1.568 8.073 7.123 1.00 0.00 C ATOM 764 CG1 ILE A 49 -2.400 7.703 5.895 1.00 0.00 C ATOM 765 CG2 ILE A 49 -2.373 8.979 8.049 1.00 0.00 C ATOM 766 CD1 ILE A 49 -1.995 6.391 5.262 1.00 0.00 C ATOM 0 H ILE A 49 0.454 6.786 6.410 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.440 9.348 5.799 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.318 7.166 7.674 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.450 7.650 6.181 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.311 8.497 5.154 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.297 8.477 8.337 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.787 9.200 8.941 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.611 9.908 7.532 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.628 6.194 4.397 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.954 6.446 4.944 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.111 5.586 5.988 1.00 0.00 H new ATOM 778 N ASN A 50 0.737 9.050 8.887 1.00 0.00 N ATOM 779 CA ASN A 50 1.244 9.802 10.029 1.00 0.00 C ATOM 780 C ASN A 50 2.395 10.726 9.637 1.00 0.00 C ATOM 781 O ASN A 50 2.475 11.858 10.115 1.00 0.00 O ATOM 782 CB ASN A 50 1.705 8.842 11.127 1.00 0.00 C ATOM 783 CG ASN A 50 0.599 8.520 12.114 1.00 0.00 C ATOM 784 OD1 ASN A 50 -0.280 7.704 11.835 1.00 0.00 O ATOM 785 ND2 ASN A 50 0.638 9.161 13.276 1.00 0.00 N ATOM 0 H ASN A 50 0.776 8.037 9.000 1.00 0.00 H new ATOM 0 HA ASN A 50 0.428 10.423 10.400 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.063 7.918 10.672 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.548 9.282 11.660 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.079 8.985 13.980 1.00 0.00 H new ATOM 0 HD22 ASN A 50 1.385 9.829 13.465 1.00 0.00 H new ATOM 792 N TYR A 51 3.291 10.246 8.778 1.00 0.00 N ATOM 793 CA TYR A 51 4.438 11.043 8.350 1.00 0.00 C ATOM 794 C TYR A 51 4.024 12.148 7.381 1.00 0.00 C ATOM 795 O TYR A 51 4.395 13.309 7.552 1.00 0.00 O ATOM 796 CB TYR A 51 5.478 10.143 7.680 1.00 0.00 C ATOM 797 CG TYR A 51 6.895 10.653 7.809 1.00 0.00 C ATOM 798 CD1 TYR A 51 7.687 10.299 8.894 1.00 0.00 C ATOM 799 CD2 TYR A 51 7.441 11.490 6.844 1.00 0.00 C ATOM 800 CE1 TYR A 51 8.983 10.765 9.013 1.00 0.00 C ATOM 801 CE2 TYR A 51 8.735 11.960 6.955 1.00 0.00 C ATOM 802 CZ TYR A 51 9.502 11.594 8.041 1.00 0.00 C ATOM 803 OH TYR A 51 10.792 12.059 8.156 1.00 0.00 O ATOM 0 H TYR A 51 3.246 9.314 8.366 1.00 0.00 H new ATOM 0 HA TYR A 51 4.866 11.510 9.237 1.00 0.00 H new ATOM 0 HB2 TYR A 51 5.419 9.146 8.117 1.00 0.00 H new ATOM 0 HB3 TYR A 51 5.232 10.043 6.623 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.284 9.649 9.657 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.843 11.778 5.992 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.586 10.481 9.863 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.144 12.610 6.196 1.00 0.00 H new ATOM 0 HH TYR A 51 11.004 12.630 7.388 1.00 0.00 H new ATOM 813 N TYR A 52 3.264 11.772 6.360 1.00 0.00 N ATOM 814 CA TYR A 52 2.805 12.721 5.352 1.00 0.00 C ATOM 815 C TYR A 52 2.016 13.861 5.987 1.00 0.00 C ATOM 816 O TYR A 52 2.120 15.011 5.562 1.00 0.00 O ATOM 817 CB TYR A 52 1.947 12.005 4.309 1.00 0.00 C ATOM 818 CG TYR A 52 2.755 11.266 3.267 1.00 0.00 C ATOM 819 CD1 TYR A 52 3.736 11.918 2.530 1.00 0.00 C ATOM 820 CD2 TYR A 52 2.537 9.917 3.022 1.00 0.00 C ATOM 821 CE1 TYR A 52 4.477 11.245 1.576 1.00 0.00 C ATOM 822 CE2 TYR A 52 3.273 9.237 2.070 1.00 0.00 C ATOM 823 CZ TYR A 52 4.241 9.905 1.351 1.00 0.00 C ATOM 824 OH TYR A 52 4.979 9.232 0.401 1.00 0.00 O ATOM 0 H TYR A 52 2.951 10.813 6.207 1.00 0.00 H new ATOM 0 HA TYR A 52 3.682 13.147 4.864 1.00 0.00 H new ATOM 0 HB2 TYR A 52 1.289 11.299 4.815 1.00 0.00 H new ATOM 0 HB3 TYR A 52 1.309 12.736 3.812 1.00 0.00 H new ATOM 0 HD1 TYR A 52 3.923 12.967 2.705 1.00 0.00 H new ATOM 0 HD2 TYR A 52 1.780 9.390 3.584 1.00 0.00 H new ATOM 0 HE1 TYR A 52 5.236 11.766 1.011 1.00 0.00 H new ATOM 0 HE2 TYR A 52 3.091 8.188 1.890 1.00 0.00 H new ATOM 0 HH TYR A 52 5.284 8.377 0.769 1.00 0.00 H new ATOM 834 N ARG A 53 1.229 13.534 7.005 1.00 0.00 N ATOM 835 CA ARG A 53 0.422 14.532 7.700 1.00 0.00 C ATOM 836 C ARG A 53 1.271 15.727 8.126 1.00 0.00 C ATOM 837 O ARG A 53 0.815 16.870 8.092 1.00 0.00 O ATOM 838 CB ARG A 53 -0.251 13.906 8.925 1.00 0.00 C ATOM 839 CG ARG A 53 -1.752 14.147 8.983 1.00 0.00 C ATOM 840 CD ARG A 53 -2.145 14.958 10.209 1.00 0.00 C ATOM 841 NE ARG A 53 -2.100 14.160 11.432 1.00 0.00 N ATOM 842 CZ ARG A 53 -2.748 14.480 12.550 1.00 0.00 C ATOM 843 NH1 ARG A 53 -3.489 15.579 12.606 1.00 0.00 N ATOM 844 NH2 ARG A 53 -2.655 13.697 13.616 1.00 0.00 N ATOM 0 H ARG A 53 1.132 12.586 7.368 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.344 14.886 7.010 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.063 12.832 8.924 1.00 0.00 H new ATOM 0 HB3 ARG A 53 0.209 14.309 9.828 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.071 14.671 8.082 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.274 13.190 8.997 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.475 15.812 10.309 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.151 15.356 10.073 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.539 13.308 11.429 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -3.565 16.185 11.789 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -3.983 15.818 13.466 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.087 12.850 13.579 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -3.151 13.941 14.473 1.00 0.00 H new ATOM 858 N GLN A 54 2.503 15.452 8.541 1.00 0.00 N ATOM 859 CA GLN A 54 3.411 16.501 8.992 1.00 0.00 C ATOM 860 C GLN A 54 4.218 17.100 7.837 1.00 0.00 C ATOM 861 O GLN A 54 4.957 18.064 8.032 1.00 0.00 O ATOM 862 CB GLN A 54 4.362 15.948 10.056 1.00 0.00 C ATOM 863 CG GLN A 54 4.290 16.690 11.381 1.00 0.00 C ATOM 864 CD GLN A 54 5.373 16.256 12.351 1.00 0.00 C ATOM 865 OE1 GLN A 54 6.357 16.965 12.557 1.00 0.00 O ATOM 866 NE2 GLN A 54 5.195 15.085 12.951 1.00 0.00 N ATOM 0 H GLN A 54 2.896 14.511 8.574 1.00 0.00 H new ATOM 0 HA GLN A 54 2.802 17.298 9.418 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.132 14.896 10.225 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.383 15.994 9.678 1.00 0.00 H new ATOM 0 HG2 GLN A 54 4.378 17.761 11.199 1.00 0.00 H new ATOM 0 HG3 GLN A 54 3.313 16.523 11.834 1.00 0.00 H new ATOM 0 HE21 GLN A 54 4.363 14.530 12.750 1.00 0.00 H new ATOM 0 HE22 GLN A 54 5.890 14.740 13.613 1.00 0.00 H new ATOM 875 N GLN A 55 4.087 16.533 6.638 1.00 0.00 N ATOM 876 CA GLN A 55 4.825 17.034 5.481 1.00 0.00 C ATOM 877 C GLN A 55 3.945 17.915 4.595 1.00 0.00 C ATOM 878 O GLN A 55 4.215 18.077 3.404 1.00 0.00 O ATOM 879 CB GLN A 55 5.377 15.863 4.663 1.00 0.00 C ATOM 880 CG GLN A 55 6.795 16.086 4.162 1.00 0.00 C ATOM 881 CD GLN A 55 7.837 15.854 5.239 1.00 0.00 C ATOM 882 OE1 GLN A 55 7.655 16.249 6.390 1.00 0.00 O ATOM 883 NE2 GLN A 55 8.936 15.208 4.869 1.00 0.00 N ATOM 0 H GLN A 55 3.483 15.734 6.444 1.00 0.00 H new ATOM 0 HA GLN A 55 5.651 17.643 5.850 1.00 0.00 H new ATOM 0 HB2 GLN A 55 5.354 14.961 5.274 1.00 0.00 H new ATOM 0 HB3 GLN A 55 4.722 15.686 3.809 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.989 15.417 3.323 1.00 0.00 H new ATOM 0 HG3 GLN A 55 6.887 17.105 3.786 1.00 0.00 H new ATOM 0 HE21 GLN A 55 9.045 14.898 3.903 1.00 0.00 H new ATOM 0 HE22 GLN A 55 9.672 15.021 5.550 1.00 0.00 H new ATOM 892 N VAL A 56 2.895 18.483 5.179 1.00 0.00 N ATOM 893 CA VAL A 56 1.988 19.346 4.433 1.00 0.00 C ATOM 894 C VAL A 56 2.340 20.822 4.637 1.00 0.00 C ATOM 895 O VAL A 56 3.060 21.402 3.826 1.00 0.00 O ATOM 896 CB VAL A 56 0.514 19.089 4.814 1.00 0.00 C ATOM 897 CG1 VAL A 56 -0.422 19.873 3.906 1.00 0.00 C ATOM 898 CG2 VAL A 56 0.205 17.600 4.750 1.00 0.00 C ATOM 0 H VAL A 56 2.652 18.362 6.162 1.00 0.00 H new ATOM 0 HA VAL A 56 2.109 19.103 3.377 1.00 0.00 H new ATOM 0 HB VAL A 56 0.356 19.431 5.837 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.455 19.677 4.192 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.215 20.939 4.003 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.268 19.566 2.872 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.837 17.433 5.021 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.380 17.235 3.738 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.851 17.064 5.445 1.00 0.00 H new ATOM 908 N THR A 57 1.821 21.419 5.713 1.00 0.00 N ATOM 909 CA THR A 57 2.059 22.833 6.044 1.00 0.00 C ATOM 910 C THR A 57 1.017 23.743 5.391 1.00 0.00 C ATOM 911 O THR A 57 1.018 24.954 5.613 1.00 0.00 O ATOM 912 CB THR A 57 3.474 23.291 5.656 1.00 0.00 C ATOM 913 OG1 THR A 57 3.537 23.657 4.288 1.00 0.00 O ATOM 914 CG2 THR A 57 4.542 22.247 5.909 1.00 0.00 C ATOM 0 H THR A 57 1.222 20.937 6.383 1.00 0.00 H new ATOM 0 HA THR A 57 1.966 22.914 7.127 1.00 0.00 H new ATOM 0 HB THR A 57 3.675 24.149 6.298 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.069 22.986 3.748 1.00 0.00 H new ATOM 0 HG21 THR A 57 5.514 22.641 5.611 1.00 0.00 H new ATOM 0 HG22 THR A 57 4.562 21.996 6.970 1.00 0.00 H new ATOM 0 HG23 THR A 57 4.320 21.352 5.328 1.00 0.00 H new ATOM 922 N GLY A 58 0.113 23.155 4.611 1.00 0.00 N ATOM 923 CA GLY A 58 -0.934 23.934 3.973 1.00 0.00 C ATOM 924 C GLY A 58 -2.124 24.101 4.894 1.00 0.00 C ATOM 925 O GLY A 58 -2.088 23.639 6.035 1.00 0.00 O ATOM 0 H GLY A 58 0.087 22.155 4.410 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.545 24.913 3.694 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -1.248 23.442 3.052 1.00 0.00 H new ATOM 929 N GLU A 59 -3.184 24.755 4.427 1.00 0.00 N ATOM 930 CA GLU A 59 -4.370 24.958 5.256 1.00 0.00 C ATOM 931 C GLU A 59 -5.132 23.651 5.458 1.00 0.00 C ATOM 932 O GLU A 59 -4.902 22.674 4.745 1.00 0.00 O ATOM 933 CB GLU A 59 -5.300 25.999 4.623 1.00 0.00 C ATOM 934 CG GLU A 59 -5.348 25.953 3.103 1.00 0.00 C ATOM 935 CD GLU A 59 -4.449 26.992 2.460 1.00 0.00 C ATOM 936 OE1 GLU A 59 -3.343 27.231 2.990 1.00 0.00 O ATOM 937 OE2 GLU A 59 -4.850 27.566 1.426 1.00 0.00 O ATOM 0 H GLU A 59 -3.247 25.150 3.489 1.00 0.00 H new ATOM 0 HA GLU A 59 -4.033 25.320 6.227 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.308 25.853 5.011 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.979 26.993 4.935 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.051 24.961 2.764 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -6.374 26.110 2.771 1.00 0.00 H new ATOM 944 N PRO A 60 -6.059 23.617 6.435 1.00 0.00 N ATOM 945 CA PRO A 60 -6.860 22.428 6.728 1.00 0.00 C ATOM 946 C PRO A 60 -7.431 21.783 5.471 1.00 0.00 C ATOM 947 O PRO A 60 -7.576 20.562 5.407 1.00 0.00 O ATOM 948 CB PRO A 60 -7.991 22.952 7.632 1.00 0.00 C ATOM 949 CG PRO A 60 -7.845 24.440 7.647 1.00 0.00 C ATOM 950 CD PRO A 60 -6.405 24.723 7.334 1.00 0.00 C ATOM 0 HA PRO A 60 -6.259 21.648 7.196 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -8.967 22.659 7.246 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -7.909 22.541 8.638 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.502 24.903 6.910 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -8.119 24.848 8.620 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.276 25.693 6.854 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -5.787 24.727 8.232 1.00 0.00 H new ATOM 958 N GLN A 61 -7.726 22.595 4.459 1.00 0.00 N ATOM 959 CA GLN A 61 -8.244 22.073 3.201 1.00 0.00 C ATOM 960 C GLN A 61 -7.118 21.381 2.450 1.00 0.00 C ATOM 961 O GLN A 61 -7.269 20.266 1.959 1.00 0.00 O ATOM 962 CB GLN A 61 -8.833 23.204 2.354 1.00 0.00 C ATOM 963 CG GLN A 61 -9.307 22.759 0.980 1.00 0.00 C ATOM 964 CD GLN A 61 -9.289 23.886 -0.036 1.00 0.00 C ATOM 965 OE1 GLN A 61 -8.275 24.560 -0.213 1.00 0.00 O ATOM 966 NE2 GLN A 61 -10.415 24.094 -0.708 1.00 0.00 N ATOM 0 H GLN A 61 -7.616 23.609 4.486 1.00 0.00 H new ATOM 0 HA GLN A 61 -9.039 21.356 3.407 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -9.671 23.649 2.891 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -8.082 23.984 2.234 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -8.673 21.946 0.627 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -10.319 22.362 1.060 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -11.232 23.510 -0.528 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -10.463 24.838 -1.404 1.00 0.00 H new ATOM 975 N GLU A 62 -5.981 22.059 2.386 1.00 0.00 N ATOM 976 CA GLU A 62 -4.806 21.520 1.718 1.00 0.00 C ATOM 977 C GLU A 62 -4.350 20.245 2.421 1.00 0.00 C ATOM 978 O GLU A 62 -4.028 19.243 1.777 1.00 0.00 O ATOM 979 CB GLU A 62 -3.673 22.549 1.710 1.00 0.00 C ATOM 980 CG GLU A 62 -2.823 22.508 0.450 1.00 0.00 C ATOM 981 CD GLU A 62 -1.337 22.537 0.748 1.00 0.00 C ATOM 982 OE1 GLU A 62 -0.801 21.501 1.195 1.00 0.00 O ATOM 983 OE2 GLU A 62 -0.708 23.595 0.534 1.00 0.00 O ATOM 0 H GLU A 62 -5.848 22.986 2.790 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.067 21.286 0.686 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.099 23.547 1.819 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.033 22.379 2.576 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.059 21.606 -0.114 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.079 23.357 -0.184 1.00 0.00 H new ATOM 990 N ARG A 63 -4.340 20.293 3.749 1.00 0.00 N ATOM 991 CA ARG A 63 -3.935 19.147 4.557 1.00 0.00 C ATOM 992 C ARG A 63 -4.914 17.989 4.398 1.00 0.00 C ATOM 993 O ARG A 63 -4.515 16.857 4.126 1.00 0.00 O ATOM 994 CB ARG A 63 -3.840 19.547 6.031 1.00 0.00 C ATOM 995 CG ARG A 63 -2.532 20.227 6.398 1.00 0.00 C ATOM 996 CD ARG A 63 -2.428 20.465 7.895 1.00 0.00 C ATOM 997 NE ARG A 63 -1.746 21.719 8.205 1.00 0.00 N ATOM 998 CZ ARG A 63 -1.235 22.010 9.399 1.00 0.00 C ATOM 999 NH1 ARG A 63 -1.328 21.139 10.398 1.00 0.00 N ATOM 1000 NH2 ARG A 63 -0.631 23.173 9.598 1.00 0.00 N ATOM 0 H ARG A 63 -4.608 21.115 4.290 1.00 0.00 H new ATOM 0 HA ARG A 63 -2.956 18.819 4.208 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -4.666 20.216 6.270 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -3.962 18.657 6.648 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -1.696 19.611 6.068 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.455 21.178 5.871 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -3.427 20.479 8.330 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.891 19.637 8.357 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.656 22.413 7.463 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.793 20.243 10.252 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -0.935 21.367 11.311 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.557 23.846 8.835 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -0.240 23.394 10.514 1.00 0.00 H new ATOM 1014 N ASP A 64 -6.199 18.280 4.576 1.00 0.00 N ATOM 1015 CA ASP A 64 -7.239 17.262 4.460 1.00 0.00 C ATOM 1016 C ASP A 64 -7.309 16.699 3.045 1.00 0.00 C ATOM 1017 O ASP A 64 -7.311 15.485 2.850 1.00 0.00 O ATOM 1018 CB ASP A 64 -8.596 17.847 4.854 1.00 0.00 C ATOM 1019 CG ASP A 64 -8.780 17.920 6.357 1.00 0.00 C ATOM 1020 OD1 ASP A 64 -8.039 18.686 7.010 1.00 0.00 O ATOM 1021 OD2 ASP A 64 -9.667 17.214 6.882 1.00 0.00 O ATOM 0 H ASP A 64 -6.546 19.212 4.801 1.00 0.00 H new ATOM 0 HA ASP A 64 -6.986 16.447 5.138 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.695 18.846 4.430 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -9.390 17.238 4.423 1.00 0.00 H new ATOM 1026 N LYS A 65 -7.382 17.590 2.065 1.00 0.00 N ATOM 1027 CA LYS A 65 -7.468 17.186 0.665 1.00 0.00 C ATOM 1028 C LYS A 65 -6.344 16.230 0.295 1.00 0.00 C ATOM 1029 O LYS A 65 -6.583 15.186 -0.312 1.00 0.00 O ATOM 1030 CB LYS A 65 -7.442 18.410 -0.254 1.00 0.00 C ATOM 1031 CG LYS A 65 -8.050 18.156 -1.623 1.00 0.00 C ATOM 1032 CD LYS A 65 -7.083 17.419 -2.537 1.00 0.00 C ATOM 1033 CE LYS A 65 -7.293 17.796 -3.995 1.00 0.00 C ATOM 1034 NZ LYS A 65 -7.738 16.633 -4.812 1.00 0.00 N ATOM 0 H LYS A 65 -7.383 18.599 2.213 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.416 16.665 0.531 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.980 19.227 0.227 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.410 18.738 -0.379 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.964 17.573 -1.513 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.331 19.105 -2.079 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.058 17.649 -2.245 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -7.215 16.344 -2.416 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.036 18.591 -4.061 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.364 18.193 -4.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -7.870 16.932 -5.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -7.018 15.884 -4.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.638 16.270 -4.438 1.00 0.00 H new ATOM 1048 N ALA A 66 -5.121 16.575 0.675 1.00 0.00 N ATOM 1049 CA ALA A 66 -3.982 15.716 0.383 1.00 0.00 C ATOM 1050 C ALA A 66 -4.139 14.390 1.115 1.00 0.00 C ATOM 1051 O ALA A 66 -4.057 13.317 0.517 1.00 0.00 O ATOM 1052 CB ALA A 66 -2.682 16.399 0.782 1.00 0.00 C ATOM 0 H ALA A 66 -4.894 17.432 1.179 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.947 15.525 -0.690 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.842 15.742 0.556 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.574 17.330 0.225 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.697 16.615 1.850 1.00 0.00 H new ATOM 1058 N LEU A 67 -4.373 14.486 2.417 1.00 0.00 N ATOM 1059 CA LEU A 67 -4.553 13.310 3.259 1.00 0.00 C ATOM 1060 C LEU A 67 -5.636 12.394 2.694 1.00 0.00 C ATOM 1061 O LEU A 67 -5.541 11.170 2.797 1.00 0.00 O ATOM 1062 CB LEU A 67 -4.920 13.729 4.685 1.00 0.00 C ATOM 1063 CG LEU A 67 -3.735 14.086 5.581 1.00 0.00 C ATOM 1064 CD1 LEU A 67 -4.222 14.660 6.904 1.00 0.00 C ATOM 1065 CD2 LEU A 67 -2.859 12.865 5.817 1.00 0.00 C ATOM 0 H LEU A 67 -4.443 15.373 2.916 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.611 12.762 3.278 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.589 14.588 4.634 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.478 12.918 5.153 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.137 14.845 5.077 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.365 14.909 7.530 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.808 15.560 6.717 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.842 13.923 7.414 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.020 13.137 6.457 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.446 12.084 6.301 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.483 12.497 4.862 1.00 0.00 H new ATOM 1077 N GLN A 68 -6.664 12.991 2.095 1.00 0.00 N ATOM 1078 CA GLN A 68 -7.758 12.221 1.518 1.00 0.00 C ATOM 1079 C GLN A 68 -7.295 11.478 0.273 1.00 0.00 C ATOM 1080 O GLN A 68 -7.508 10.272 0.142 1.00 0.00 O ATOM 1081 CB GLN A 68 -8.934 13.140 1.176 1.00 0.00 C ATOM 1082 CG GLN A 68 -10.123 12.414 0.568 1.00 0.00 C ATOM 1083 CD GLN A 68 -11.160 12.027 1.603 1.00 0.00 C ATOM 1084 OE1 GLN A 68 -11.112 10.938 2.172 1.00 0.00 O ATOM 1085 NE2 GLN A 68 -12.109 12.923 1.852 1.00 0.00 N ATOM 0 H GLN A 68 -6.760 14.002 1.998 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.086 11.489 2.256 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -9.258 13.653 2.082 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -8.594 13.907 0.480 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.587 13.051 -0.185 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.774 11.517 0.056 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -12.111 13.815 1.357 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -12.835 12.719 2.538 1.00 0.00 H new ATOM 1094 N GLU A 69 -6.654 12.202 -0.630 1.00 0.00 N ATOM 1095 CA GLU A 69 -6.150 11.608 -1.860 1.00 0.00 C ATOM 1096 C GLU A 69 -5.072 10.579 -1.543 1.00 0.00 C ATOM 1097 O GLU A 69 -4.881 9.616 -2.286 1.00 0.00 O ATOM 1098 CB GLU A 69 -5.595 12.691 -2.790 1.00 0.00 C ATOM 1099 CG GLU A 69 -6.288 12.746 -4.142 1.00 0.00 C ATOM 1100 CD GLU A 69 -5.483 12.079 -5.239 1.00 0.00 C ATOM 1101 OE1 GLU A 69 -4.410 12.612 -5.596 1.00 0.00 O ATOM 1102 OE2 GLU A 69 -5.922 11.023 -5.741 1.00 0.00 O ATOM 0 H GLU A 69 -6.470 13.201 -0.536 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.974 11.107 -2.368 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -5.691 13.661 -2.302 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.530 12.515 -2.944 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.262 12.263 -4.066 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.469 13.787 -4.411 1.00 0.00 H new ATOM 1109 N LEU A 70 -4.377 10.786 -0.429 1.00 0.00 N ATOM 1110 CA LEU A 70 -3.328 9.871 -0.007 1.00 0.00 C ATOM 1111 C LEU A 70 -3.927 8.536 0.419 1.00 0.00 C ATOM 1112 O LEU A 70 -3.481 7.476 -0.020 1.00 0.00 O ATOM 1113 CB LEU A 70 -2.525 10.479 1.144 1.00 0.00 C ATOM 1114 CG LEU A 70 -1.011 10.278 1.055 1.00 0.00 C ATOM 1115 CD1 LEU A 70 -0.401 11.256 0.063 1.00 0.00 C ATOM 1116 CD2 LEU A 70 -0.372 10.434 2.428 1.00 0.00 C ATOM 0 H LEU A 70 -4.523 11.579 0.196 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.659 9.700 -0.850 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.732 11.548 1.186 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.879 10.048 2.081 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.816 9.266 0.700 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.676 11.099 0.013 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.838 11.095 -0.923 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.604 12.277 0.387 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.705 10.288 2.347 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.575 11.434 2.812 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.788 9.692 3.109 1.00 0.00 H new ATOM 1128 N ARG A 71 -4.945 8.594 1.275 1.00 0.00 N ATOM 1129 CA ARG A 71 -5.605 7.386 1.756 1.00 0.00 C ATOM 1130 C ARG A 71 -6.218 6.607 0.597 1.00 0.00 C ATOM 1131 O ARG A 71 -6.108 5.383 0.531 1.00 0.00 O ATOM 1132 CB ARG A 71 -6.687 7.743 2.775 1.00 0.00 C ATOM 1133 CG ARG A 71 -7.307 6.532 3.453 1.00 0.00 C ATOM 1134 CD ARG A 71 -8.493 6.924 4.320 1.00 0.00 C ATOM 1135 NE ARG A 71 -9.534 5.899 4.320 1.00 0.00 N ATOM 1136 CZ ARG A 71 -10.417 5.740 3.337 1.00 0.00 C ATOM 1137 NH1 ARG A 71 -10.388 6.534 2.274 1.00 0.00 N ATOM 1138 NH2 ARG A 71 -11.333 4.784 3.416 1.00 0.00 N ATOM 0 H ARG A 71 -5.329 9.462 1.648 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.856 6.758 2.238 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.257 8.395 3.536 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.472 8.311 2.275 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.629 5.816 2.697 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -6.556 6.033 4.066 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -8.154 7.096 5.342 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.910 7.864 3.960 1.00 0.00 H new ATOM 0 HE ARG A 71 -9.587 5.268 5.120 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -9.686 7.271 2.207 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -11.067 6.407 1.524 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -11.361 4.170 4.230 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -12.010 4.662 2.662 1.00 0.00 H new ATOM 1152 N GLN A 72 -6.861 7.326 -0.319 1.00 0.00 N ATOM 1153 CA GLN A 72 -7.488 6.700 -1.475 1.00 0.00 C ATOM 1154 C GLN A 72 -6.439 6.062 -2.379 1.00 0.00 C ATOM 1155 O GLN A 72 -6.613 4.939 -2.852 1.00 0.00 O ATOM 1156 CB GLN A 72 -8.301 7.732 -2.261 1.00 0.00 C ATOM 1157 CG GLN A 72 -8.969 7.166 -3.503 1.00 0.00 C ATOM 1158 CD GLN A 72 -9.938 8.143 -4.140 1.00 0.00 C ATOM 1159 OE1 GLN A 72 -10.923 8.551 -3.524 1.00 0.00 O ATOM 1160 NE2 GLN A 72 -9.663 8.524 -5.383 1.00 0.00 N ATOM 0 H GLN A 72 -6.960 8.340 -0.282 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.158 5.918 -1.118 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -9.065 8.153 -1.608 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -7.645 8.552 -2.554 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.204 6.892 -4.230 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -9.501 6.251 -3.240 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -8.836 8.161 -5.856 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -10.279 9.179 -5.864 1.00 0.00 H new ATOM 1169 N GLU A 73 -5.352 6.788 -2.615 1.00 0.00 N ATOM 1170 CA GLU A 73 -4.273 6.295 -3.463 1.00 0.00 C ATOM 1171 C GLU A 73 -3.630 5.048 -2.861 1.00 0.00 C ATOM 1172 O GLU A 73 -3.285 4.110 -3.578 1.00 0.00 O ATOM 1173 CB GLU A 73 -3.219 7.383 -3.665 1.00 0.00 C ATOM 1174 CG GLU A 73 -3.662 8.491 -4.609 1.00 0.00 C ATOM 1175 CD GLU A 73 -3.643 8.062 -6.063 1.00 0.00 C ATOM 1176 OE1 GLU A 73 -4.047 6.917 -6.352 1.00 0.00 O ATOM 1177 OE2 GLU A 73 -3.222 8.873 -6.915 1.00 0.00 O ATOM 0 H GLU A 73 -5.195 7.720 -2.231 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.698 6.028 -4.430 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.969 7.819 -2.698 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.308 6.928 -4.054 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.669 8.810 -4.341 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -3.010 9.355 -4.481 1.00 0.00 H new ATOM 1184 N LEU A 74 -3.466 5.044 -1.542 1.00 0.00 N ATOM 1185 CA LEU A 74 -2.861 3.908 -0.856 1.00 0.00 C ATOM 1186 C LEU A 74 -3.757 2.684 -0.926 1.00 0.00 C ATOM 1187 O LEU A 74 -3.270 1.577 -1.101 1.00 0.00 O ATOM 1188 CB LEU A 74 -2.546 4.267 0.596 1.00 0.00 C ATOM 1189 CG LEU A 74 -1.425 5.293 0.771 1.00 0.00 C ATOM 1190 CD1 LEU A 74 -1.678 6.161 1.993 1.00 0.00 C ATOM 1191 CD2 LEU A 74 -0.076 4.597 0.878 1.00 0.00 C ATOM 0 H LEU A 74 -3.742 5.811 -0.929 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.927 3.665 -1.363 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.451 4.654 1.065 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.274 3.357 1.130 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.410 5.937 -0.108 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.869 6.884 2.100 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.624 6.689 1.874 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.723 5.533 2.883 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.709 5.343 1.002 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.079 3.927 1.738 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.110 4.022 -0.029 1.00 0.00 H new ATOM 1203 N ASN A 75 -5.062 2.875 -0.793 1.00 0.00 N ATOM 1204 CA ASN A 75 -5.984 1.749 -0.867 1.00 0.00 C ATOM 1205 C ASN A 75 -5.904 1.108 -2.250 1.00 0.00 C ATOM 1206 O ASN A 75 -5.758 -0.104 -2.382 1.00 0.00 O ATOM 1207 CB ASN A 75 -7.416 2.208 -0.586 1.00 0.00 C ATOM 1208 CG ASN A 75 -7.748 2.200 0.893 1.00 0.00 C ATOM 1209 OD1 ASN A 75 -7.833 1.142 1.516 1.00 0.00 O ATOM 1210 ND2 ASN A 75 -7.939 3.384 1.463 1.00 0.00 N ATOM 0 H ASN A 75 -5.501 3.782 -0.636 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.702 1.015 -0.112 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -7.556 3.214 -0.981 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.113 1.558 -1.115 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.166 3.441 2.456 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.859 4.236 0.908 1.00 0.00 H new ATOM 1217 N THR A 76 -6.010 1.949 -3.270 1.00 0.00 N ATOM 1218 CA THR A 76 -5.961 1.491 -4.658 1.00 0.00 C ATOM 1219 C THR A 76 -4.629 0.812 -4.981 1.00 0.00 C ATOM 1220 O THR A 76 -4.596 -0.181 -5.708 1.00 0.00 O ATOM 1221 CB THR A 76 -6.208 2.654 -5.621 1.00 0.00 C ATOM 1222 OG1 THR A 76 -6.160 2.210 -6.964 1.00 0.00 O ATOM 1223 CG2 THR A 76 -5.208 3.778 -5.473 1.00 0.00 C ATOM 0 H THR A 76 -6.131 2.956 -3.165 1.00 0.00 H new ATOM 0 HA THR A 76 -6.753 0.753 -4.785 1.00 0.00 H new ATOM 0 HB THR A 76 -7.197 3.035 -5.365 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.322 2.967 -7.565 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.442 4.569 -6.185 1.00 0.00 H new ATOM 0 HG22 THR A 76 -5.256 4.176 -4.460 1.00 0.00 H new ATOM 0 HG23 THR A 76 -4.204 3.400 -5.667 1.00 0.00 H new ATOM 1231 N LEU A 77 -3.534 1.340 -4.438 1.00 0.00 N ATOM 1232 CA LEU A 77 -2.212 0.761 -4.675 1.00 0.00 C ATOM 1233 C LEU A 77 -2.008 -0.477 -3.803 1.00 0.00 C ATOM 1234 O LEU A 77 -1.339 -1.433 -4.196 1.00 0.00 O ATOM 1235 CB LEU A 77 -1.112 1.790 -4.379 1.00 0.00 C ATOM 1236 CG LEU A 77 -1.001 2.960 -5.367 1.00 0.00 C ATOM 1237 CD1 LEU A 77 0.370 3.610 -5.264 1.00 0.00 C ATOM 1238 CD2 LEU A 77 -1.262 2.496 -6.794 1.00 0.00 C ATOM 0 H LEU A 77 -3.534 2.162 -3.835 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.151 0.471 -5.724 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.282 2.197 -3.382 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.154 1.271 -4.352 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.760 3.698 -5.107 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.434 4.438 -5.970 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.520 3.984 -4.251 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.140 2.874 -5.496 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.177 3.344 -7.474 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.531 1.736 -7.069 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.265 2.075 -6.862 1.00 0.00 H new ATOM 1250 N ALA A 78 -2.588 -0.432 -2.612 1.00 0.00 N ATOM 1251 CA ALA A 78 -2.487 -1.527 -1.649 1.00 0.00 C ATOM 1252 C ALA A 78 -3.453 -2.673 -1.965 1.00 0.00 C ATOM 1253 O ALA A 78 -3.199 -3.819 -1.596 1.00 0.00 O ATOM 1254 CB ALA A 78 -2.734 -1.006 -0.241 1.00 0.00 C ATOM 0 H ALA A 78 -3.141 0.360 -2.284 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.477 -1.930 -1.720 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.657 -1.829 0.470 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.991 -0.246 0.001 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.731 -0.570 -0.184 1.00 0.00 H new ATOM 1260 N ASN A 79 -4.585 -2.358 -2.594 1.00 0.00 N ATOM 1261 CA ASN A 79 -5.594 -3.380 -2.880 1.00 0.00 C ATOM 1262 C ASN A 79 -5.031 -4.523 -3.735 1.00 0.00 C ATOM 1263 O ASN A 79 -5.282 -5.690 -3.434 1.00 0.00 O ATOM 1264 CB ASN A 79 -6.835 -2.748 -3.543 1.00 0.00 C ATOM 1265 CG ASN A 79 -6.930 -2.998 -5.040 1.00 0.00 C ATOM 1266 OD1 ASN A 79 -7.012 -4.141 -5.490 1.00 0.00 O ATOM 1267 ND2 ASN A 79 -6.929 -1.922 -5.817 1.00 0.00 N ATOM 0 H ASN A 79 -4.825 -1.419 -2.911 1.00 0.00 H new ATOM 0 HA ASN A 79 -5.896 -3.816 -1.928 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.731 -3.140 -3.062 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -6.822 -1.673 -3.364 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -6.998 -2.024 -6.830 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.859 -0.993 -5.402 1.00 0.00 H new ATOM 1274 N PRO A 80 -4.251 -4.235 -4.791 1.00 0.00 N ATOM 1275 CA PRO A 80 -3.671 -5.295 -5.622 1.00 0.00 C ATOM 1276 C PRO A 80 -2.644 -6.112 -4.841 1.00 0.00 C ATOM 1277 O PRO A 80 -2.388 -7.276 -5.149 1.00 0.00 O ATOM 1278 CB PRO A 80 -2.999 -4.531 -6.766 1.00 0.00 C ATOM 1279 CG PRO A 80 -2.738 -3.171 -6.218 1.00 0.00 C ATOM 1280 CD PRO A 80 -3.855 -2.892 -5.249 1.00 0.00 C ATOM 0 HA PRO A 80 -4.417 -6.011 -5.967 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -2.073 -5.017 -7.075 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -3.644 -4.486 -7.644 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -1.770 -3.131 -5.719 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -2.717 -2.427 -7.014 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.522 -2.267 -4.421 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -4.683 -2.371 -5.729 1.00 0.00 H new ATOM 1288 N PHE A 81 -2.056 -5.478 -3.830 1.00 0.00 N ATOM 1289 CA PHE A 81 -1.048 -6.107 -2.985 1.00 0.00 C ATOM 1290 C PHE A 81 -1.654 -7.183 -2.085 1.00 0.00 C ATOM 1291 O PHE A 81 -1.090 -8.267 -1.925 1.00 0.00 O ATOM 1292 CB PHE A 81 -0.377 -5.036 -2.120 1.00 0.00 C ATOM 1293 CG PHE A 81 0.833 -5.503 -1.353 1.00 0.00 C ATOM 1294 CD1 PHE A 81 1.352 -6.778 -1.527 1.00 0.00 C ATOM 1295 CD2 PHE A 81 1.457 -4.649 -0.457 1.00 0.00 C ATOM 1296 CE1 PHE A 81 2.467 -7.190 -0.822 1.00 0.00 C ATOM 1297 CE2 PHE A 81 2.571 -5.057 0.252 1.00 0.00 C ATOM 1298 CZ PHE A 81 3.076 -6.329 0.069 1.00 0.00 C ATOM 0 H PHE A 81 -2.266 -4.513 -3.574 1.00 0.00 H new ATOM 0 HA PHE A 81 -0.315 -6.588 -3.633 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -0.084 -4.204 -2.761 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -1.111 -4.650 -1.412 1.00 0.00 H new ATOM 0 HD1 PHE A 81 0.879 -7.456 -2.222 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.068 -3.652 -0.311 1.00 0.00 H new ATOM 0 HE1 PHE A 81 2.862 -8.185 -0.968 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.046 -4.382 0.948 1.00 0.00 H new ATOM 0 HZ PHE A 81 3.946 -6.650 0.622 1.00 0.00 H new ATOM 1308 N LEU A 82 -2.796 -6.870 -1.487 1.00 0.00 N ATOM 1309 CA LEU A 82 -3.462 -7.802 -0.585 1.00 0.00 C ATOM 1310 C LEU A 82 -4.099 -8.969 -1.327 1.00 0.00 C ATOM 1311 O LEU A 82 -4.079 -10.099 -0.838 1.00 0.00 O ATOM 1312 CB LEU A 82 -4.509 -7.074 0.254 1.00 0.00 C ATOM 1313 CG LEU A 82 -4.240 -7.092 1.759 1.00 0.00 C ATOM 1314 CD1 LEU A 82 -4.021 -8.516 2.248 1.00 0.00 C ATOM 1315 CD2 LEU A 82 -3.041 -6.218 2.096 1.00 0.00 C ATOM 0 H LEU A 82 -3.280 -5.980 -1.609 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.697 -8.215 0.072 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.567 -6.038 -0.080 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.484 -7.524 0.067 1.00 0.00 H new ATOM 0 HG LEU A 82 -5.114 -6.688 2.269 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.831 -8.507 3.321 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.910 -9.112 2.042 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.165 -8.950 1.732 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.864 -6.242 3.171 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -2.160 -6.592 1.574 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.239 -5.193 1.784 1.00 0.00 H new ATOM 1327 N ALA A 83 -4.653 -8.716 -2.509 1.00 0.00 N ATOM 1328 CA ALA A 83 -5.270 -9.779 -3.285 1.00 0.00 C ATOM 1329 C ALA A 83 -4.201 -10.631 -3.947 1.00 0.00 C ATOM 1330 O ALA A 83 -4.343 -11.848 -4.076 1.00 0.00 O ATOM 1331 CB ALA A 83 -6.212 -9.198 -4.328 1.00 0.00 C ATOM 0 H ALA A 83 -4.686 -7.794 -2.944 1.00 0.00 H new ATOM 0 HA ALA A 83 -5.852 -10.410 -2.613 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.665 -10.008 -4.900 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -6.993 -8.622 -3.832 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.653 -8.547 -5.001 1.00 0.00 H new ATOM 1337 N LYS A 84 -3.121 -9.977 -4.357 1.00 0.00 N ATOM 1338 CA LYS A 84 -2.013 -10.662 -4.999 1.00 0.00 C ATOM 1339 C LYS A 84 -1.325 -11.607 -4.023 1.00 0.00 C ATOM 1340 O LYS A 84 -0.950 -12.722 -4.391 1.00 0.00 O ATOM 1341 CB LYS A 84 -1.005 -9.647 -5.543 1.00 0.00 C ATOM 1342 CG LYS A 84 0.191 -10.284 -6.232 1.00 0.00 C ATOM 1343 CD LYS A 84 -0.185 -10.843 -7.595 1.00 0.00 C ATOM 1344 CE LYS A 84 0.898 -11.762 -8.138 1.00 0.00 C ATOM 1345 NZ LYS A 84 0.940 -13.060 -7.412 1.00 0.00 N ATOM 0 H LYS A 84 -2.992 -8.970 -4.255 1.00 0.00 H new ATOM 0 HA LYS A 84 -2.409 -11.248 -5.828 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.511 -8.988 -6.248 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.651 -9.024 -4.722 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.983 -9.544 -6.347 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.590 -11.083 -5.607 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -1.124 -11.391 -7.518 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.351 -10.022 -8.293 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.721 -11.945 -9.198 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.867 -11.269 -8.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.770 -13.081 -6.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 0.075 -13.168 -6.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.004 -13.839 -8.098 1.00 0.00 H new ATOM 1359 N TYR A 85 -1.157 -11.166 -2.777 1.00 0.00 N ATOM 1360 CA TYR A 85 -0.503 -12.000 -1.779 1.00 0.00 C ATOM 1361 C TYR A 85 -1.414 -13.115 -1.294 1.00 0.00 C ATOM 1362 O TYR A 85 -0.974 -14.255 -1.137 1.00 0.00 O ATOM 1363 CB TYR A 85 -0.012 -11.174 -0.592 1.00 0.00 C ATOM 1364 CG TYR A 85 1.330 -11.651 -0.081 1.00 0.00 C ATOM 1365 CD1 TYR A 85 2.395 -11.832 -0.954 1.00 0.00 C ATOM 1366 CD2 TYR A 85 1.526 -11.941 1.263 1.00 0.00 C ATOM 1367 CE1 TYR A 85 3.619 -12.287 -0.505 1.00 0.00 C ATOM 1368 CE2 TYR A 85 2.749 -12.394 1.723 1.00 0.00 C ATOM 1369 CZ TYR A 85 3.792 -12.566 0.835 1.00 0.00 C ATOM 1370 OH TYR A 85 5.009 -13.019 1.288 1.00 0.00 O ATOM 0 H TYR A 85 -1.460 -10.252 -2.442 1.00 0.00 H new ATOM 0 HA TYR A 85 0.361 -12.451 -2.267 1.00 0.00 H new ATOM 0 HB2 TYR A 85 0.064 -10.127 -0.886 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.745 -11.226 0.213 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.263 -11.613 -2.003 1.00 0.00 H new ATOM 0 HD2 TYR A 85 0.711 -11.811 1.959 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.436 -12.424 -1.198 1.00 0.00 H new ATOM 0 HE2 TYR A 85 2.887 -12.612 2.772 1.00 0.00 H new ATOM 0 HH TYR A 85 4.964 -13.167 2.256 1.00 0.00 H new ATOM 1380 N ARG A 86 -2.681 -12.800 -1.058 1.00 0.00 N ATOM 1381 CA ARG A 86 -3.620 -13.812 -0.594 1.00 0.00 C ATOM 1382 C ARG A 86 -3.731 -14.932 -1.623 1.00 0.00 C ATOM 1383 O ARG A 86 -3.793 -16.110 -1.268 1.00 0.00 O ATOM 1384 CB ARG A 86 -4.993 -13.200 -0.281 1.00 0.00 C ATOM 1385 CG ARG A 86 -5.828 -12.844 -1.503 1.00 0.00 C ATOM 1386 CD ARG A 86 -7.089 -13.691 -1.582 1.00 0.00 C ATOM 1387 NE ARG A 86 -6.818 -15.031 -2.099 1.00 0.00 N ATOM 1388 CZ ARG A 86 -7.592 -16.088 -1.859 1.00 0.00 C ATOM 1389 NH1 ARG A 86 -8.685 -15.967 -1.116 1.00 0.00 N ATOM 1390 NH2 ARG A 86 -7.272 -17.271 -2.366 1.00 0.00 N ATOM 0 H ARG A 86 -3.077 -11.868 -1.178 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.240 -14.235 0.336 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -5.556 -13.902 0.334 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -4.846 -12.300 0.316 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -6.099 -11.789 -1.465 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -5.234 -12.988 -2.406 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -7.536 -13.769 -0.591 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -7.819 -13.196 -2.223 1.00 0.00 H new ATOM 0 HE ARG A 86 -5.988 -15.164 -2.677 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -8.937 -15.060 -0.724 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -9.273 -16.781 -0.937 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -6.434 -17.371 -2.939 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -7.864 -18.081 -2.183 1.00 0.00 H new ATOM 1404 N ASP A 87 -3.715 -14.563 -2.901 1.00 0.00 N ATOM 1405 CA ASP A 87 -3.778 -15.547 -3.970 1.00 0.00 C ATOM 1406 C ASP A 87 -2.459 -16.304 -4.035 1.00 0.00 C ATOM 1407 O ASP A 87 -2.428 -17.508 -4.283 1.00 0.00 O ATOM 1408 CB ASP A 87 -4.066 -14.868 -5.311 1.00 0.00 C ATOM 1409 CG ASP A 87 -4.797 -15.781 -6.276 1.00 0.00 C ATOM 1410 OD1 ASP A 87 -6.030 -15.924 -6.141 1.00 0.00 O ATOM 1411 OD2 ASP A 87 -4.135 -16.353 -7.168 1.00 0.00 O ATOM 0 H ASP A 87 -3.659 -13.595 -3.217 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.588 -16.246 -3.764 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.662 -13.972 -5.141 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -3.127 -14.545 -5.761 1.00 0.00 H new ATOM 1416 N PHE A 88 -1.371 -15.581 -3.793 1.00 0.00 N ATOM 1417 CA PHE A 88 -0.040 -16.171 -3.805 1.00 0.00 C ATOM 1418 C PHE A 88 0.072 -17.257 -2.738 1.00 0.00 C ATOM 1419 O PHE A 88 0.508 -18.374 -3.018 1.00 0.00 O ATOM 1420 CB PHE A 88 1.015 -15.089 -3.558 1.00 0.00 C ATOM 1421 CG PHE A 88 2.373 -15.417 -4.112 1.00 0.00 C ATOM 1422 CD1 PHE A 88 2.952 -16.658 -3.885 1.00 0.00 C ATOM 1423 CD2 PHE A 88 3.077 -14.481 -4.855 1.00 0.00 C ATOM 1424 CE1 PHE A 88 4.202 -16.956 -4.390 1.00 0.00 C ATOM 1425 CE2 PHE A 88 4.326 -14.776 -5.362 1.00 0.00 C ATOM 1426 CZ PHE A 88 4.889 -16.015 -5.129 1.00 0.00 C ATOM 0 H PHE A 88 -1.386 -14.582 -3.586 1.00 0.00 H new ATOM 0 HA PHE A 88 0.131 -16.622 -4.783 1.00 0.00 H new ATOM 0 HB2 PHE A 88 0.671 -14.154 -3.999 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.103 -14.921 -2.485 1.00 0.00 H new ATOM 0 HD1 PHE A 88 2.419 -17.398 -3.307 1.00 0.00 H new ATOM 0 HD2 PHE A 88 2.642 -13.510 -5.039 1.00 0.00 H new ATOM 0 HE1 PHE A 88 4.642 -17.925 -4.207 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.863 -14.039 -5.940 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.867 -16.247 -5.525 1.00 0.00 H new ATOM 1436 N LEU A 89 -0.324 -16.922 -1.512 1.00 0.00 N ATOM 1437 CA LEU A 89 -0.261 -17.870 -0.405 1.00 0.00 C ATOM 1438 C LEU A 89 -1.291 -18.982 -0.568 1.00 0.00 C ATOM 1439 O LEU A 89 -1.091 -20.098 -0.088 1.00 0.00 O ATOM 1440 CB LEU A 89 -0.468 -17.149 0.931 1.00 0.00 C ATOM 1441 CG LEU A 89 0.626 -16.140 1.323 1.00 0.00 C ATOM 1442 CD1 LEU A 89 0.933 -16.241 2.809 1.00 0.00 C ATOM 1443 CD2 LEU A 89 1.896 -16.354 0.507 1.00 0.00 C ATOM 0 H LEU A 89 -0.691 -16.004 -1.262 1.00 0.00 H new ATOM 0 HA LEU A 89 0.730 -18.324 -0.412 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -1.423 -16.625 0.896 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -0.544 -17.898 1.719 1.00 0.00 H new ATOM 0 HG LEU A 89 0.250 -15.140 1.106 1.00 0.00 H new ATOM 0 HD11 LEU A 89 1.709 -15.521 3.070 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.031 -16.027 3.382 1.00 0.00 H new ATOM 0 HD13 LEU A 89 1.280 -17.248 3.041 1.00 0.00 H new ATOM 0 HD21 LEU A 89 2.649 -15.626 0.808 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.275 -17.361 0.681 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.673 -16.229 -0.553 1.00 0.00 H new ATOM 1455 N LYS A 90 -2.388 -18.683 -1.258 1.00 0.00 N ATOM 1456 CA LYS A 90 -3.432 -19.676 -1.487 1.00 0.00 C ATOM 1457 C LYS A 90 -3.168 -20.457 -2.775 1.00 0.00 C ATOM 1458 O LYS A 90 -3.867 -21.424 -3.079 1.00 0.00 O ATOM 1459 CB LYS A 90 -4.804 -19.002 -1.565 1.00 0.00 C ATOM 1460 CG LYS A 90 -5.513 -18.902 -0.224 1.00 0.00 C ATOM 1461 CD LYS A 90 -4.674 -18.154 0.800 1.00 0.00 C ATOM 1462 CE LYS A 90 -4.178 -19.079 1.899 1.00 0.00 C ATOM 1463 NZ LYS A 90 -5.047 -19.022 3.108 1.00 0.00 N ATOM 0 H LYS A 90 -2.576 -17.767 -1.666 1.00 0.00 H new ATOM 0 HA LYS A 90 -3.423 -20.372 -0.648 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -4.684 -18.000 -1.978 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -5.434 -19.559 -2.258 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -6.468 -18.393 -0.354 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -5.733 -19.903 0.147 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -3.823 -17.688 0.304 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -5.265 -17.351 1.239 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -4.144 -20.102 1.524 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -3.159 -18.805 2.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -4.675 -19.667 3.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -5.060 -18.051 3.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -6.014 -19.308 2.854 1.00 0.00 H new ATOM 1477 N SER A 91 -2.167 -20.021 -3.537 1.00 0.00 N ATOM 1478 CA SER A 91 -1.824 -20.666 -4.799 1.00 0.00 C ATOM 1479 C SER A 91 -0.952 -21.902 -4.593 1.00 0.00 C ATOM 1480 O SER A 91 -1.277 -22.981 -5.087 1.00 0.00 O ATOM 1481 CB SER A 91 -1.109 -19.676 -5.719 1.00 0.00 C ATOM 1482 OG SER A 91 -0.712 -20.299 -6.929 1.00 0.00 O ATOM 0 H SER A 91 -1.579 -19.222 -3.300 1.00 0.00 H new ATOM 0 HA SER A 91 -2.756 -20.991 -5.261 1.00 0.00 H new ATOM 0 HB2 SER A 91 -1.769 -18.837 -5.938 1.00 0.00 H new ATOM 0 HB3 SER A 91 -0.234 -19.270 -5.211 1.00 0.00 H new ATOM 0 HG SER A 91 -0.259 -19.645 -7.500 1.00 0.00 H new