USER MOD reduce.3.24.130724 H: found=0, std=0, add=943, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 942 hydrogens (6 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 126 HC4HO4' : A 126 HC4 O4' : A 126 HC4 C4' :(short bond) USER MOD Set 1.1: A 50 THR OG1 : rot 48:sc= 1.45 USER MOD Set 1.2: A 98 TYR OH : rot 30:sc= -0.336 USER MOD Set 1.3: A 100 MET CE :methyl 172:sc= -3.62! (180deg=-2.54!) USER MOD Set 2.1: A 72 SER OG : rot 151:sc= 0.613 USER MOD Set 2.2: A 94 TYR OH : rot 141:sc= 1.84 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -119:sc= -0.125 (180deg=-0.682) USER MOD Single : A 3 HIS : no HD1:sc= -0.249 X(o=-0.25,f=-0.35) USER MOD Single : A 8 SER OG : rot 167:sc= -6.7! USER MOD Single : A 13 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.462) USER MOD Single : A 18 MET CE :methyl -154:sc= -6.31! (180deg=-8.24!) USER MOD Single : A 22 GLN : amide:sc= -0.506 X(o=-0.51,f=-0.073) USER MOD Single : A 32 GLN : amide:sc= -5.92! C(o=-5.9!,f=-9.4!) USER MOD Single : A 38 ASN : amide:sc= -0.445 X(o=-0.45,f=0) USER MOD Single : A 41 GLN : amide:sc= -11.1! C(o=-11!,f=-11!) USER MOD Single : A 42 TYR OH : rot -166:sc= -3.39! USER MOD Single : A 43 ASN : amide:sc= -8.3! C(o=-8.3!,f=-14!) USER MOD Single : A 55 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0181) USER MOD Single : A 56 GLN : amide:sc= -0.325 X(o=-0.32,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.548 K(o=-0.55,f=1.1) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot -8:sc= -1.19 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -1.89 X(o=-1.9,f=-1.8) USER MOD Single : A 89 ASN : amide:sc= -2.71 K(o=-2.7,f=-3.4!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.0802 K(o=-0.08,f=-2.4!) USER MOD Single : A 101 THR OG1 : rot 45:sc= 1.15 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 162:sc= -0.006 (180deg=-0.072) USER MOD Single : A 108 HIS : no HD1:sc= -2.13! C(o=-2.1!,f=-5.6!) USER MOD Single : A 109 MET CE :methyl -145:sc= -1.21 (180deg=-4.99!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot -150:sc= -0.297 USER MOD Single : A 117 SER OG : rot 59:sc= 1.14 USER MOD Single : A 118 TYR OH : rot 16:sc= -1.72! USER MOD Single : A 123 LYS NZ :NH3+ -148:sc= -3.93! (180deg=-5.28!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.994 2.936 6.800 1.00 0.00 N ATOM 2 CA MET A 1 16.913 4.093 6.615 1.00 0.00 C ATOM 3 C MET A 1 16.099 5.337 6.257 1.00 0.00 C ATOM 4 O MET A 1 15.109 5.262 5.557 1.00 0.00 O ATOM 5 CB MET A 1 17.901 3.786 5.489 1.00 0.00 C ATOM 6 CG MET A 1 18.864 2.687 5.941 1.00 0.00 C ATOM 7 SD MET A 1 19.430 1.750 4.500 1.00 0.00 S ATOM 8 CE MET A 1 21.112 1.432 5.084 1.00 0.00 C ATOM 0 H1 MET A 1 16.078 2.578 7.773 1.00 0.00 H new ATOM 0 H2 MET A 1 15.015 3.239 6.626 1.00 0.00 H new ATOM 0 H3 MET A 1 16.247 2.181 6.131 1.00 0.00 H new ATOM 0 HA MET A 1 17.463 4.272 7.539 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.363 3.468 4.596 1.00 0.00 H new ATOM 0 HB3 MET A 1 18.457 4.685 5.224 1.00 0.00 H new ATOM 0 HG2 MET A 1 19.716 3.126 6.460 1.00 0.00 H new ATOM 0 HG3 MET A 1 18.368 2.022 6.648 1.00 0.00 H new ATOM 0 HE1 MET A 1 21.654 0.855 4.335 1.00 0.00 H new ATOM 0 HE2 MET A 1 21.624 2.379 5.252 1.00 0.00 H new ATOM 0 HE3 MET A 1 21.073 0.870 6.017 1.00 0.00 H new ATOM 20 N GLU A 2 16.506 6.480 6.736 1.00 0.00 N ATOM 21 CA GLU A 2 15.755 7.730 6.430 1.00 0.00 C ATOM 22 C GLU A 2 14.371 7.677 7.085 1.00 0.00 C ATOM 23 O GLU A 2 13.487 8.438 6.747 1.00 0.00 O ATOM 24 CB GLU A 2 15.597 7.878 4.915 1.00 0.00 C ATOM 25 CG GLU A 2 15.959 9.306 4.500 1.00 0.00 C ATOM 26 CD GLU A 2 14.681 10.130 4.333 1.00 0.00 C ATOM 27 OE1 GLU A 2 14.005 9.944 3.335 1.00 0.00 O ATOM 28 OE2 GLU A 2 14.401 10.936 5.206 1.00 0.00 O ATOM 0 H GLU A 2 17.328 6.602 7.327 1.00 0.00 H new ATOM 0 HA GLU A 2 16.307 8.584 6.822 1.00 0.00 H new ATOM 0 HB2 GLU A 2 16.240 7.164 4.400 1.00 0.00 H new ATOM 0 HB3 GLU A 2 14.572 7.652 4.622 1.00 0.00 H new ATOM 0 HG2 GLU A 2 16.603 9.762 5.252 1.00 0.00 H new ATOM 0 HG3 GLU A 2 16.520 9.293 3.566 1.00 0.00 H new ATOM 35 N HIS A 3 14.176 6.790 8.025 1.00 0.00 N ATOM 36 CA HIS A 3 12.850 6.703 8.702 1.00 0.00 C ATOM 37 C HIS A 3 11.758 6.387 7.675 1.00 0.00 C ATOM 38 O HIS A 3 10.624 6.799 7.821 1.00 0.00 O ATOM 39 CB HIS A 3 12.543 8.044 9.373 1.00 0.00 C ATOM 40 CG HIS A 3 11.448 7.866 10.388 1.00 0.00 C ATOM 41 ND1 HIS A 3 11.605 7.076 11.516 1.00 0.00 N ATOM 42 CD2 HIS A 3 10.176 8.378 10.463 1.00 0.00 C ATOM 43 CE1 HIS A 3 10.456 7.133 12.215 1.00 0.00 C ATOM 44 NE2 HIS A 3 9.552 7.914 11.618 1.00 0.00 N ATOM 0 H HIS A 3 14.876 6.124 8.352 1.00 0.00 H new ATOM 0 HA HIS A 3 12.876 5.910 9.449 1.00 0.00 H new ATOM 0 HB2 HIS A 3 13.439 8.433 9.856 1.00 0.00 H new ATOM 0 HB3 HIS A 3 12.241 8.776 8.623 1.00 0.00 H new ATOM 0 HD2 HIS A 3 9.728 9.040 9.737 1.00 0.00 H new ATOM 0 HE1 HIS A 3 10.286 6.611 13.145 1.00 0.00 H new ATOM 0 HE2 HIS A 3 8.607 8.125 11.939 1.00 0.00 H new ATOM 52 N VAL A 4 12.082 5.658 6.641 1.00 0.00 N ATOM 53 CA VAL A 4 11.049 5.325 5.622 1.00 0.00 C ATOM 54 C VAL A 4 10.081 4.295 6.197 1.00 0.00 C ATOM 55 O VAL A 4 10.487 3.236 6.618 1.00 0.00 O ATOM 56 CB VAL A 4 11.709 4.733 4.371 1.00 0.00 C ATOM 57 CG1 VAL A 4 12.723 5.718 3.798 1.00 0.00 C ATOM 58 CG2 VAL A 4 12.416 3.420 4.725 1.00 0.00 C ATOM 0 H VAL A 4 13.012 5.281 6.460 1.00 0.00 H new ATOM 0 HA VAL A 4 10.515 6.237 5.355 1.00 0.00 H new ATOM 0 HB VAL A 4 10.937 4.539 3.626 1.00 0.00 H new ATOM 0 HG11 VAL A 4 13.186 5.288 2.910 1.00 0.00 H new ATOM 0 HG12 VAL A 4 12.218 6.646 3.531 1.00 0.00 H new ATOM 0 HG13 VAL A 4 13.491 5.925 4.544 1.00 0.00 H new ATOM 0 HG21 VAL A 4 12.882 3.005 3.831 1.00 0.00 H new ATOM 0 HG22 VAL A 4 13.180 3.610 5.478 1.00 0.00 H new ATOM 0 HG23 VAL A 4 11.689 2.709 5.117 1.00 0.00 H new ATOM 68 N ALA A 5 8.809 4.597 6.188 1.00 0.00 N ATOM 69 CA ALA A 5 7.779 3.635 6.699 1.00 0.00 C ATOM 70 C ALA A 5 8.268 2.883 7.947 1.00 0.00 C ATOM 71 O ALA A 5 9.167 3.310 8.644 1.00 0.00 O ATOM 72 CB ALA A 5 7.474 2.613 5.596 1.00 0.00 C ATOM 0 H ALA A 5 8.432 5.480 5.844 1.00 0.00 H new ATOM 0 HA ALA A 5 6.889 4.202 6.972 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.726 1.905 5.953 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.093 3.131 4.715 1.00 0.00 H new ATOM 0 HB3 ALA A 5 8.386 2.076 5.335 1.00 0.00 H new ATOM 78 N PHE A 6 7.675 1.751 8.204 1.00 0.00 N ATOM 79 CA PHE A 6 8.077 0.913 9.379 1.00 0.00 C ATOM 80 C PHE A 6 9.560 0.564 9.251 1.00 0.00 C ATOM 81 O PHE A 6 10.248 0.322 10.223 1.00 0.00 O ATOM 82 CB PHE A 6 7.290 -0.415 9.417 1.00 0.00 C ATOM 83 CG PHE A 6 6.005 -0.334 8.613 1.00 0.00 C ATOM 84 CD1 PHE A 6 4.840 0.112 9.229 1.00 0.00 C ATOM 85 CD2 PHE A 6 5.981 -0.708 7.250 1.00 0.00 C ATOM 86 CE1 PHE A 6 3.655 0.192 8.501 1.00 0.00 C ATOM 87 CE2 PHE A 6 4.797 -0.630 6.521 1.00 0.00 C ATOM 88 CZ PHE A 6 3.633 -0.176 7.148 1.00 0.00 C ATOM 0 H PHE A 6 6.917 1.361 7.644 1.00 0.00 H new ATOM 0 HA PHE A 6 7.871 1.482 10.286 1.00 0.00 H new ATOM 0 HB2 PHE A 6 7.914 -1.218 9.025 1.00 0.00 H new ATOM 0 HB3 PHE A 6 7.056 -0.669 10.451 1.00 0.00 H new ATOM 0 HD1 PHE A 6 4.854 0.396 10.271 1.00 0.00 H new ATOM 0 HD2 PHE A 6 6.885 -1.056 6.772 1.00 0.00 H new ATOM 0 HE1 PHE A 6 2.751 0.538 8.980 1.00 0.00 H new ATOM 0 HE2 PHE A 6 4.778 -0.918 5.480 1.00 0.00 H new ATOM 0 HZ PHE A 6 2.712 -0.108 6.588 1.00 0.00 H new ATOM 98 N GLY A 7 10.041 0.517 8.043 1.00 0.00 N ATOM 99 CA GLY A 7 11.468 0.161 7.803 1.00 0.00 C ATOM 100 C GLY A 7 11.673 -0.107 6.309 1.00 0.00 C ATOM 101 O GLY A 7 12.434 -0.970 5.917 1.00 0.00 O ATOM 0 H GLY A 7 9.501 0.712 7.200 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.118 0.971 8.132 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.738 -0.721 8.384 1.00 0.00 H new ATOM 105 N SER A 8 10.985 0.623 5.479 1.00 0.00 N ATOM 106 CA SER A 8 11.105 0.427 4.007 1.00 0.00 C ATOM 107 C SER A 8 12.515 0.770 3.520 1.00 0.00 C ATOM 108 O SER A 8 13.427 0.992 4.291 1.00 0.00 O ATOM 109 CB SER A 8 10.102 1.336 3.283 1.00 0.00 C ATOM 110 OG SER A 8 9.666 2.370 4.149 1.00 0.00 O ATOM 0 H SER A 8 10.336 1.357 5.761 1.00 0.00 H new ATOM 0 HA SER A 8 10.898 -0.621 3.788 1.00 0.00 H new ATOM 0 HB2 SER A 8 10.565 1.766 2.395 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.247 0.750 2.945 1.00 0.00 H new ATOM 0 HG SER A 8 9.198 3.057 3.629 1.00 0.00 H new ATOM 116 N GLU A 9 12.679 0.816 2.226 1.00 0.00 N ATOM 117 CA GLU A 9 14.001 1.150 1.625 1.00 0.00 C ATOM 118 C GLU A 9 13.808 2.306 0.644 1.00 0.00 C ATOM 119 O GLU A 9 14.079 2.178 -0.534 1.00 0.00 O ATOM 120 CB GLU A 9 14.530 -0.062 0.856 1.00 0.00 C ATOM 121 CG GLU A 9 15.374 -0.932 1.789 1.00 0.00 C ATOM 122 CD GLU A 9 15.494 -2.342 1.207 1.00 0.00 C ATOM 123 OE1 GLU A 9 14.484 -3.024 1.146 1.00 0.00 O ATOM 124 OE2 GLU A 9 16.594 -2.717 0.834 1.00 0.00 O ATOM 0 H GLU A 9 11.939 0.633 1.548 1.00 0.00 H new ATOM 0 HA GLU A 9 14.707 1.425 2.409 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.699 -0.642 0.454 1.00 0.00 H new ATOM 0 HB3 GLU A 9 15.129 0.266 0.007 1.00 0.00 H new ATOM 0 HG2 GLU A 9 16.364 -0.494 1.914 1.00 0.00 H new ATOM 0 HG3 GLU A 9 14.916 -0.973 2.777 1.00 0.00 H new ATOM 131 N ASP A 10 13.319 3.424 1.105 1.00 0.00 N ATOM 132 CA ASP A 10 13.087 4.558 0.171 1.00 0.00 C ATOM 133 C ASP A 10 12.076 4.095 -0.875 1.00 0.00 C ATOM 134 O ASP A 10 12.421 3.807 -2.003 1.00 0.00 O ATOM 135 CB ASP A 10 14.403 4.940 -0.515 1.00 0.00 C ATOM 136 CG ASP A 10 14.754 6.390 -0.178 1.00 0.00 C ATOM 137 OD1 ASP A 10 14.305 7.268 -0.895 1.00 0.00 O ATOM 138 OD2 ASP A 10 15.466 6.597 0.790 1.00 0.00 O ATOM 0 H ASP A 10 13.072 3.600 2.079 1.00 0.00 H new ATOM 0 HA ASP A 10 12.711 5.428 0.709 1.00 0.00 H new ATOM 0 HB2 ASP A 10 15.202 4.276 -0.187 1.00 0.00 H new ATOM 0 HB3 ASP A 10 14.311 4.819 -1.594 1.00 0.00 H new ATOM 143 N ILE A 11 10.830 3.992 -0.501 1.00 0.00 N ATOM 144 CA ILE A 11 9.812 3.515 -1.466 1.00 0.00 C ATOM 145 C ILE A 11 9.391 4.648 -2.385 1.00 0.00 C ATOM 146 O ILE A 11 9.545 4.564 -3.573 1.00 0.00 O ATOM 147 CB ILE A 11 8.590 2.984 -0.727 1.00 0.00 C ATOM 148 CG1 ILE A 11 8.999 2.272 0.562 1.00 0.00 C ATOM 149 CG2 ILE A 11 7.848 1.996 -1.617 1.00 0.00 C ATOM 150 CD1 ILE A 11 10.015 1.192 0.229 1.00 0.00 C ATOM 0 H ILE A 11 10.478 4.218 0.429 1.00 0.00 H new ATOM 0 HA ILE A 11 10.250 2.712 -2.059 1.00 0.00 H new ATOM 0 HB ILE A 11 7.948 3.829 -0.478 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.425 2.985 1.267 1.00 0.00 H new ATOM 0 HG13 ILE A 11 8.125 1.832 1.043 1.00 0.00 H new ATOM 0 HG21 ILE A 11 6.974 1.616 -1.089 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.530 2.497 -2.531 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.509 1.166 -1.869 1.00 0.00 H new ATOM 0 HD11 ILE A 11 10.313 0.678 1.143 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.571 0.475 -0.462 1.00 0.00 H new ATOM 0 HD13 ILE A 11 10.891 1.647 -0.234 1.00 0.00 H new ATOM 162 N GLU A 12 8.850 5.709 -1.862 1.00 0.00 N ATOM 163 CA GLU A 12 8.405 6.820 -2.754 1.00 0.00 C ATOM 164 C GLU A 12 9.493 7.166 -3.790 1.00 0.00 C ATOM 165 O GLU A 12 9.204 7.701 -4.843 1.00 0.00 O ATOM 166 CB GLU A 12 8.078 8.059 -1.919 1.00 0.00 C ATOM 167 CG GLU A 12 7.116 8.959 -2.698 1.00 0.00 C ATOM 168 CD GLU A 12 7.097 10.354 -2.068 1.00 0.00 C ATOM 169 OE1 GLU A 12 7.939 11.158 -2.434 1.00 0.00 O ATOM 170 OE2 GLU A 12 6.241 10.594 -1.234 1.00 0.00 O ATOM 0 H GLU A 12 8.696 5.858 -0.865 1.00 0.00 H new ATOM 0 HA GLU A 12 7.512 6.492 -3.287 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.629 7.764 -0.971 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.992 8.604 -1.683 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.426 9.024 -3.741 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.114 8.531 -2.689 1.00 0.00 H new ATOM 177 N ASN A 13 10.735 6.859 -3.510 1.00 0.00 N ATOM 178 CA ASN A 13 11.819 7.166 -4.489 1.00 0.00 C ATOM 179 C ASN A 13 12.017 5.974 -5.437 1.00 0.00 C ATOM 180 O ASN A 13 12.169 6.143 -6.630 1.00 0.00 O ATOM 181 CB ASN A 13 13.121 7.446 -3.736 1.00 0.00 C ATOM 182 CG ASN A 13 13.157 8.914 -3.308 1.00 0.00 C ATOM 183 OD1 ASN A 13 12.190 9.429 -2.781 1.00 0.00 O ATOM 184 ND2 ASN A 13 14.237 9.616 -3.514 1.00 0.00 N ATOM 0 H ASN A 13 11.043 6.410 -2.648 1.00 0.00 H new ATOM 0 HA ASN A 13 11.540 8.044 -5.072 1.00 0.00 H new ATOM 0 HB2 ASN A 13 13.194 6.799 -2.862 1.00 0.00 H new ATOM 0 HB3 ASN A 13 13.977 7.220 -4.372 1.00 0.00 H new ATOM 0 HD21 ASN A 13 14.270 10.596 -3.233 1.00 0.00 H new ATOM 0 HD22 ASN A 13 15.049 9.185 -3.956 1.00 0.00 H new ATOM 191 N THR A 14 12.004 4.772 -4.921 1.00 0.00 N ATOM 192 CA THR A 14 12.178 3.579 -5.802 1.00 0.00 C ATOM 193 C THR A 14 10.943 3.488 -6.706 1.00 0.00 C ATOM 194 O THR A 14 11.036 3.491 -7.917 1.00 0.00 O ATOM 195 CB THR A 14 12.324 2.321 -4.907 1.00 0.00 C ATOM 196 OG1 THR A 14 13.701 2.107 -4.632 1.00 0.00 O ATOM 197 CG2 THR A 14 11.753 1.070 -5.593 1.00 0.00 C ATOM 0 H THR A 14 11.881 4.565 -3.930 1.00 0.00 H new ATOM 0 HA THR A 14 13.070 3.656 -6.424 1.00 0.00 H new ATOM 0 HB THR A 14 11.765 2.491 -3.987 1.00 0.00 H new ATOM 0 HG1 THR A 14 13.802 1.314 -4.065 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.873 0.208 -4.936 1.00 0.00 H new ATOM 0 HG22 THR A 14 10.694 1.222 -5.803 1.00 0.00 H new ATOM 0 HG23 THR A 14 12.286 0.892 -6.527 1.00 0.00 H new ATOM 205 N LEU A 15 9.795 3.419 -6.089 1.00 0.00 N ATOM 206 CA LEU A 15 8.488 3.342 -6.821 1.00 0.00 C ATOM 207 C LEU A 15 8.526 4.237 -8.070 1.00 0.00 C ATOM 208 O LEU A 15 7.901 3.953 -9.071 1.00 0.00 O ATOM 209 CB LEU A 15 7.358 3.841 -5.899 1.00 0.00 C ATOM 210 CG LEU A 15 7.327 3.052 -4.585 1.00 0.00 C ATOM 211 CD1 LEU A 15 6.472 3.793 -3.553 1.00 0.00 C ATOM 212 CD2 LEU A 15 6.732 1.667 -4.830 1.00 0.00 C ATOM 0 H LEU A 15 9.702 3.412 -5.073 1.00 0.00 H new ATOM 0 HA LEU A 15 8.312 2.308 -7.117 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.499 4.901 -5.687 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.399 3.743 -6.408 1.00 0.00 H new ATOM 0 HG LEU A 15 8.345 2.951 -4.208 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.454 3.227 -2.622 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.897 4.780 -3.370 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.456 3.900 -3.932 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.712 1.109 -3.894 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.717 1.770 -5.213 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.342 1.132 -5.558 1.00 0.00 H new ATOM 224 N ALA A 16 9.255 5.319 -8.005 1.00 0.00 N ATOM 225 CA ALA A 16 9.337 6.242 -9.172 1.00 0.00 C ATOM 226 C ALA A 16 10.437 5.780 -10.133 1.00 0.00 C ATOM 227 O ALA A 16 10.172 5.401 -11.256 1.00 0.00 O ATOM 228 CB ALA A 16 9.666 7.650 -8.676 1.00 0.00 C ATOM 0 H ALA A 16 9.799 5.604 -7.190 1.00 0.00 H new ATOM 0 HA ALA A 16 8.381 6.242 -9.695 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.727 8.330 -9.526 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.884 7.988 -7.996 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.622 7.637 -8.152 1.00 0.00 H new ATOM 234 N LYS A 17 11.670 5.820 -9.705 1.00 0.00 N ATOM 235 CA LYS A 17 12.785 5.395 -10.602 1.00 0.00 C ATOM 236 C LYS A 17 13.027 3.890 -10.453 1.00 0.00 C ATOM 237 O LYS A 17 14.123 3.448 -10.172 1.00 0.00 O ATOM 238 CB LYS A 17 14.057 6.165 -10.234 1.00 0.00 C ATOM 239 CG LYS A 17 14.541 6.962 -11.448 1.00 0.00 C ATOM 240 CD LYS A 17 15.547 6.124 -12.239 1.00 0.00 C ATOM 241 CE LYS A 17 15.109 6.044 -13.702 1.00 0.00 C ATOM 242 NZ LYS A 17 14.175 4.898 -13.881 1.00 0.00 N ATOM 0 H LYS A 17 11.954 6.128 -8.775 1.00 0.00 H new ATOM 0 HA LYS A 17 12.519 5.610 -11.637 1.00 0.00 H new ATOM 0 HB2 LYS A 17 13.859 6.838 -9.400 1.00 0.00 H new ATOM 0 HB3 LYS A 17 14.833 5.472 -9.908 1.00 0.00 H new ATOM 0 HG2 LYS A 17 13.695 7.229 -12.082 1.00 0.00 H new ATOM 0 HG3 LYS A 17 15.003 7.894 -11.124 1.00 0.00 H new ATOM 0 HD2 LYS A 17 16.540 6.568 -12.170 1.00 0.00 H new ATOM 0 HD3 LYS A 17 15.616 5.123 -11.814 1.00 0.00 H new ATOM 0 HE2 LYS A 17 14.622 6.973 -13.998 1.00 0.00 H new ATOM 0 HE3 LYS A 17 15.979 5.921 -14.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 14.206 4.576 -14.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 14.458 4.118 -13.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 13.208 5.198 -13.645 1.00 0.00 H new ATOM 256 N MET A 18 12.010 3.098 -10.650 1.00 0.00 N ATOM 257 CA MET A 18 12.177 1.625 -10.531 1.00 0.00 C ATOM 258 C MET A 18 11.878 0.983 -11.891 1.00 0.00 C ATOM 259 O MET A 18 11.083 1.481 -12.663 1.00 0.00 O ATOM 260 CB MET A 18 11.212 1.096 -9.459 1.00 0.00 C ATOM 261 CG MET A 18 11.105 -0.433 -9.543 1.00 0.00 C ATOM 262 SD MET A 18 9.664 -0.876 -10.544 1.00 0.00 S ATOM 263 CE MET A 18 8.417 -0.068 -9.512 1.00 0.00 C ATOM 0 H MET A 18 11.069 3.409 -10.889 1.00 0.00 H new ATOM 0 HA MET A 18 13.197 1.377 -10.237 1.00 0.00 H new ATOM 0 HB2 MET A 18 11.562 1.389 -8.469 1.00 0.00 H new ATOM 0 HB3 MET A 18 10.227 1.544 -9.594 1.00 0.00 H new ATOM 0 HG2 MET A 18 12.011 -0.849 -9.984 1.00 0.00 H new ATOM 0 HG3 MET A 18 11.013 -0.858 -8.544 1.00 0.00 H new ATOM 0 HE1 MET A 18 7.456 -0.564 -9.647 1.00 0.00 H new ATOM 0 HE2 MET A 18 8.714 -0.131 -8.465 1.00 0.00 H new ATOM 0 HE3 MET A 18 8.328 0.979 -9.801 1.00 0.00 H new ATOM 273 N ASP A 19 12.512 -0.118 -12.189 1.00 0.00 N ATOM 274 CA ASP A 19 12.267 -0.788 -13.496 1.00 0.00 C ATOM 275 C ASP A 19 11.325 -1.976 -13.293 1.00 0.00 C ATOM 276 O ASP A 19 10.241 -2.020 -13.839 1.00 0.00 O ATOM 277 CB ASP A 19 13.596 -1.280 -14.075 1.00 0.00 C ATOM 278 CG ASP A 19 13.425 -1.577 -15.566 1.00 0.00 C ATOM 279 OD1 ASP A 19 12.880 -2.620 -15.884 1.00 0.00 O ATOM 280 OD2 ASP A 19 13.844 -0.755 -16.366 1.00 0.00 O ATOM 0 H ASP A 19 13.189 -0.582 -11.583 1.00 0.00 H new ATOM 0 HA ASP A 19 11.811 -0.079 -14.187 1.00 0.00 H new ATOM 0 HB2 ASP A 19 14.369 -0.526 -13.930 1.00 0.00 H new ATOM 0 HB3 ASP A 19 13.924 -2.177 -13.550 1.00 0.00 H new ATOM 285 N ASP A 20 11.728 -2.943 -12.511 1.00 0.00 N ATOM 286 CA ASP A 20 10.849 -4.126 -12.279 1.00 0.00 C ATOM 287 C ASP A 20 11.359 -4.917 -11.073 1.00 0.00 C ATOM 288 O ASP A 20 10.614 -5.234 -10.168 1.00 0.00 O ATOM 289 CB ASP A 20 10.864 -5.023 -13.519 1.00 0.00 C ATOM 290 CG ASP A 20 9.441 -5.494 -13.828 1.00 0.00 C ATOM 291 OD1 ASP A 20 8.732 -4.770 -14.507 1.00 0.00 O ATOM 292 OD2 ASP A 20 9.085 -6.571 -13.380 1.00 0.00 O ATOM 0 H ASP A 20 12.624 -2.965 -12.025 1.00 0.00 H new ATOM 0 HA ASP A 20 9.831 -3.787 -12.085 1.00 0.00 H new ATOM 0 HB2 ASP A 20 11.270 -4.477 -14.370 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.514 -5.882 -13.351 1.00 0.00 H new ATOM 297 N GLY A 21 12.623 -5.242 -11.055 1.00 0.00 N ATOM 298 CA GLY A 21 13.176 -6.017 -9.908 1.00 0.00 C ATOM 299 C GLY A 21 13.655 -5.056 -8.819 1.00 0.00 C ATOM 300 O GLY A 21 14.826 -4.998 -8.497 1.00 0.00 O ATOM 0 H GLY A 21 13.296 -5.005 -11.784 1.00 0.00 H new ATOM 0 HA2 GLY A 21 12.414 -6.685 -9.507 1.00 0.00 H new ATOM 0 HA3 GLY A 21 14.003 -6.642 -10.244 1.00 0.00 H new ATOM 304 N GLN A 22 12.758 -4.306 -8.243 1.00 0.00 N ATOM 305 CA GLN A 22 13.157 -3.354 -7.169 1.00 0.00 C ATOM 306 C GLN A 22 11.999 -3.193 -6.182 1.00 0.00 C ATOM 307 O GLN A 22 12.189 -3.180 -4.983 1.00 0.00 O ATOM 308 CB GLN A 22 13.498 -1.995 -7.785 1.00 0.00 C ATOM 309 CG GLN A 22 14.987 -1.955 -8.138 1.00 0.00 C ATOM 310 CD GLN A 22 15.446 -0.501 -8.265 1.00 0.00 C ATOM 311 OE1 GLN A 22 16.058 0.036 -7.362 1.00 0.00 O ATOM 312 NE2 GLN A 22 15.176 0.164 -9.356 1.00 0.00 N ATOM 0 H GLN A 22 11.764 -4.311 -8.470 1.00 0.00 H new ATOM 0 HA GLN A 22 14.032 -3.740 -6.647 1.00 0.00 H new ATOM 0 HB2 GLN A 22 12.897 -1.827 -8.679 1.00 0.00 H new ATOM 0 HB3 GLN A 22 13.258 -1.195 -7.084 1.00 0.00 H new ATOM 0 HG2 GLN A 22 15.567 -2.464 -7.368 1.00 0.00 H new ATOM 0 HG3 GLN A 22 15.164 -2.486 -9.074 1.00 0.00 H new ATOM 0 HE21 GLN A 22 14.663 -0.286 -10.114 1.00 0.00 H new ATOM 0 HE22 GLN A 22 15.479 1.134 -9.450 1.00 0.00 H new ATOM 321 N LEU A 23 10.800 -3.071 -6.680 1.00 0.00 N ATOM 322 CA LEU A 23 9.627 -2.912 -5.772 1.00 0.00 C ATOM 323 C LEU A 23 9.166 -4.288 -5.259 1.00 0.00 C ATOM 324 O LEU A 23 8.372 -4.381 -4.343 1.00 0.00 O ATOM 325 CB LEU A 23 8.482 -2.188 -6.518 1.00 0.00 C ATOM 326 CG LEU A 23 7.676 -3.155 -7.403 1.00 0.00 C ATOM 327 CD1 LEU A 23 6.446 -2.431 -7.960 1.00 0.00 C ATOM 328 CD2 LEU A 23 8.544 -3.637 -8.567 1.00 0.00 C ATOM 0 H LEU A 23 10.580 -3.074 -7.676 1.00 0.00 H new ATOM 0 HA LEU A 23 9.915 -2.308 -4.912 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.817 -1.718 -5.794 1.00 0.00 H new ATOM 0 HB3 LEU A 23 8.897 -1.391 -7.135 1.00 0.00 H new ATOM 0 HG LEU A 23 7.362 -4.011 -6.805 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.874 -3.115 -8.587 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.822 -2.087 -7.135 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.766 -1.575 -8.554 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.969 -4.321 -9.191 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.860 -2.781 -9.164 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.422 -4.152 -8.177 1.00 0.00 H new ATOM 340 N ASP A 24 9.652 -5.357 -5.839 1.00 0.00 N ATOM 341 CA ASP A 24 9.231 -6.712 -5.377 1.00 0.00 C ATOM 342 C ASP A 24 10.208 -7.241 -4.315 1.00 0.00 C ATOM 343 O ASP A 24 10.041 -8.326 -3.797 1.00 0.00 O ATOM 344 CB ASP A 24 9.213 -7.672 -6.570 1.00 0.00 C ATOM 345 CG ASP A 24 8.447 -7.033 -7.729 1.00 0.00 C ATOM 346 OD1 ASP A 24 7.498 -6.314 -7.461 1.00 0.00 O ATOM 347 OD2 ASP A 24 8.819 -7.274 -8.865 1.00 0.00 O ATOM 0 H ASP A 24 10.320 -5.349 -6.610 1.00 0.00 H new ATOM 0 HA ASP A 24 8.235 -6.643 -4.940 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.232 -7.904 -6.878 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.743 -8.614 -6.285 1.00 0.00 H new ATOM 352 N GLY A 25 11.225 -6.487 -3.984 1.00 0.00 N ATOM 353 CA GLY A 25 12.200 -6.956 -2.957 1.00 0.00 C ATOM 354 C GLY A 25 11.889 -6.282 -1.622 1.00 0.00 C ATOM 355 O GLY A 25 12.773 -5.990 -0.840 1.00 0.00 O ATOM 0 H GLY A 25 11.421 -5.568 -4.381 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.143 -8.039 -2.853 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.217 -6.719 -3.269 1.00 0.00 H new ATOM 359 N LEU A 26 10.639 -6.031 -1.355 1.00 0.00 N ATOM 360 CA LEU A 26 10.267 -5.380 -0.081 1.00 0.00 C ATOM 361 C LEU A 26 9.304 -6.289 0.681 1.00 0.00 C ATOM 362 O LEU A 26 8.537 -7.033 0.102 1.00 0.00 O ATOM 363 CB LEU A 26 9.589 -4.037 -0.372 1.00 0.00 C ATOM 364 CG LEU A 26 10.536 -3.151 -1.185 1.00 0.00 C ATOM 365 CD1 LEU A 26 10.182 -3.244 -2.668 1.00 0.00 C ATOM 366 CD2 LEU A 26 10.398 -1.696 -0.728 1.00 0.00 C ATOM 0 H LEU A 26 9.858 -6.252 -1.972 1.00 0.00 H new ATOM 0 HA LEU A 26 11.160 -5.207 0.520 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.662 -4.198 -0.923 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.323 -3.542 0.562 1.00 0.00 H new ATOM 0 HG LEU A 26 11.561 -3.489 -1.031 1.00 0.00 H new ATOM 0 HD11 LEU A 26 10.858 -2.612 -3.244 1.00 0.00 H new ATOM 0 HD12 LEU A 26 10.279 -4.277 -3.001 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.156 -2.909 -2.819 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.073 -1.067 -1.308 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.371 -1.363 -0.880 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.651 -1.621 0.330 1.00 0.00 H new ATOM 378 N ALA A 27 9.346 -6.229 1.977 1.00 0.00 N ATOM 379 CA ALA A 27 8.445 -7.080 2.811 1.00 0.00 C ATOM 380 C ALA A 27 7.054 -6.435 2.916 1.00 0.00 C ATOM 381 O ALA A 27 6.206 -6.888 3.670 1.00 0.00 O ATOM 382 CB ALA A 27 9.043 -7.227 4.210 1.00 0.00 C ATOM 0 H ALA A 27 9.972 -5.621 2.506 1.00 0.00 H new ATOM 0 HA ALA A 27 8.347 -8.060 2.344 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.388 -7.847 4.822 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.025 -7.695 4.139 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.143 -6.243 4.668 1.00 0.00 H new ATOM 388 N PHE A 28 6.805 -5.386 2.175 1.00 0.00 N ATOM 389 CA PHE A 28 5.471 -4.732 2.242 1.00 0.00 C ATOM 390 C PHE A 28 4.962 -4.463 0.834 1.00 0.00 C ATOM 391 O PHE A 28 5.725 -4.242 -0.085 1.00 0.00 O ATOM 392 CB PHE A 28 5.556 -3.393 2.987 1.00 0.00 C ATOM 393 CG PHE A 28 6.885 -2.723 2.707 1.00 0.00 C ATOM 394 CD1 PHE A 28 8.016 -3.097 3.426 1.00 0.00 C ATOM 395 CD2 PHE A 28 6.983 -1.742 1.724 1.00 0.00 C ATOM 396 CE1 PHE A 28 9.248 -2.492 3.170 1.00 0.00 C ATOM 397 CE2 PHE A 28 8.214 -1.134 1.462 1.00 0.00 C ATOM 398 CZ PHE A 28 9.349 -1.513 2.187 1.00 0.00 C ATOM 0 H PHE A 28 7.468 -4.957 1.529 1.00 0.00 H new ATOM 0 HA PHE A 28 4.794 -5.400 2.774 1.00 0.00 H new ATOM 0 HB2 PHE A 28 4.739 -2.742 2.675 1.00 0.00 H new ATOM 0 HB3 PHE A 28 5.441 -3.557 4.059 1.00 0.00 H new ATOM 0 HD1 PHE A 28 7.940 -3.860 4.187 1.00 0.00 H new ATOM 0 HD2 PHE A 28 6.107 -1.451 1.163 1.00 0.00 H new ATOM 0 HE1 PHE A 28 10.121 -2.784 3.734 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.289 -0.372 0.700 1.00 0.00 H new ATOM 0 HZ PHE A 28 10.302 -1.046 1.984 1.00 0.00 H new ATOM 408 N GLY A 29 3.675 -4.457 0.663 1.00 0.00 N ATOM 409 CA GLY A 29 3.112 -4.172 -0.678 1.00 0.00 C ATOM 410 C GLY A 29 3.145 -2.669 -0.894 1.00 0.00 C ATOM 411 O GLY A 29 2.448 -1.933 -0.224 1.00 0.00 O ATOM 0 H GLY A 29 2.988 -4.637 1.395 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.690 -4.680 -1.449 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.090 -4.544 -0.749 1.00 0.00 H new ATOM 415 N ALA A 30 3.922 -2.197 -1.828 1.00 0.00 N ATOM 416 CA ALA A 30 3.943 -0.735 -2.061 1.00 0.00 C ATOM 417 C ALA A 30 2.897 -0.452 -3.119 1.00 0.00 C ATOM 418 O ALA A 30 3.122 -0.644 -4.293 1.00 0.00 O ATOM 419 CB ALA A 30 5.332 -0.265 -2.516 1.00 0.00 C ATOM 0 H ALA A 30 4.532 -2.752 -2.428 1.00 0.00 H new ATOM 0 HA ALA A 30 3.724 -0.192 -1.142 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.316 0.813 -2.679 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.067 -0.505 -1.748 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.600 -0.769 -3.445 1.00 0.00 H new ATOM 425 N ILE A 31 1.731 -0.046 -2.705 1.00 0.00 N ATOM 426 CA ILE A 31 0.651 0.204 -3.692 1.00 0.00 C ATOM 427 C ILE A 31 0.451 1.707 -3.882 1.00 0.00 C ATOM 428 O ILE A 31 0.579 2.490 -2.963 1.00 0.00 O ATOM 429 CB ILE A 31 -0.653 -0.448 -3.206 1.00 0.00 C ATOM 430 CG1 ILE A 31 -1.243 0.341 -2.033 1.00 0.00 C ATOM 431 CG2 ILE A 31 -0.365 -1.877 -2.746 1.00 0.00 C ATOM 432 CD1 ILE A 31 -2.149 1.449 -2.572 1.00 0.00 C ATOM 0 H ILE A 31 1.481 0.122 -1.730 1.00 0.00 H new ATOM 0 HA ILE A 31 0.933 -0.233 -4.650 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.368 -0.453 -4.029 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.811 -0.324 -1.382 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.443 0.771 -1.430 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.289 -2.341 -2.401 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.041 -2.452 -3.578 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.358 -1.858 -1.931 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.570 2.012 -1.739 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.567 2.119 -3.205 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.956 1.007 -3.156 1.00 0.00 H new ATOM 444 N GLN A 32 0.118 2.102 -5.072 1.00 0.00 N ATOM 445 CA GLN A 32 -0.121 3.535 -5.350 1.00 0.00 C ATOM 446 C GLN A 32 -1.588 3.700 -5.727 1.00 0.00 C ATOM 447 O GLN A 32 -2.281 2.733 -5.974 1.00 0.00 O ATOM 448 CB GLN A 32 0.773 3.994 -6.503 1.00 0.00 C ATOM 449 CG GLN A 32 2.094 4.518 -5.936 1.00 0.00 C ATOM 450 CD GLN A 32 3.147 4.561 -7.044 1.00 0.00 C ATOM 451 OE1 GLN A 32 2.920 4.073 -8.134 1.00 0.00 O ATOM 452 NE2 GLN A 32 4.294 5.136 -6.813 1.00 0.00 N ATOM 0 H GLN A 32 -0.000 1.483 -5.874 1.00 0.00 H new ATOM 0 HA GLN A 32 0.113 4.139 -4.473 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.960 3.166 -7.186 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.274 4.775 -7.077 1.00 0.00 H new ATOM 0 HG2 GLN A 32 1.952 5.514 -5.517 1.00 0.00 H new ATOM 0 HG3 GLN A 32 2.433 3.876 -5.123 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.484 5.545 -5.898 1.00 0.00 H new ATOM 0 HE22 GLN A 32 5.001 5.177 -7.547 1.00 0.00 H new ATOM 461 N LEU A 33 -2.076 4.902 -5.767 1.00 0.00 N ATOM 462 CA LEU A 33 -3.504 5.099 -6.119 1.00 0.00 C ATOM 463 C LEU A 33 -3.681 6.485 -6.735 1.00 0.00 C ATOM 464 O LEU A 33 -2.893 7.380 -6.503 1.00 0.00 O ATOM 465 CB LEU A 33 -4.359 5.016 -4.850 1.00 0.00 C ATOM 466 CG LEU A 33 -4.368 3.583 -4.317 1.00 0.00 C ATOM 467 CD1 LEU A 33 -5.147 3.536 -3.001 1.00 0.00 C ATOM 468 CD2 LEU A 33 -5.040 2.665 -5.340 1.00 0.00 C ATOM 0 H LEU A 33 -1.551 5.755 -5.572 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.812 4.329 -6.826 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.965 5.692 -4.091 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.377 5.339 -5.066 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.344 3.250 -4.146 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.155 2.515 -2.619 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.671 4.192 -2.273 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.171 3.867 -3.172 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.047 1.643 -4.962 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.064 2.997 -5.509 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.488 2.701 -6.279 1.00 0.00 H new ATOM 480 N ASP A 34 -4.714 6.679 -7.502 1.00 0.00 N ATOM 481 CA ASP A 34 -4.933 8.026 -8.103 1.00 0.00 C ATOM 482 C ASP A 34 -6.394 8.456 -7.944 1.00 0.00 C ATOM 483 O ASP A 34 -7.296 7.800 -8.419 1.00 0.00 O ATOM 484 CB ASP A 34 -4.555 8.026 -9.586 1.00 0.00 C ATOM 485 CG ASP A 34 -5.286 6.903 -10.326 1.00 0.00 C ATOM 486 OD1 ASP A 34 -6.029 6.182 -9.686 1.00 0.00 O ATOM 487 OD2 ASP A 34 -5.086 6.784 -11.522 1.00 0.00 O ATOM 0 H ASP A 34 -5.411 5.973 -7.739 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.295 8.735 -7.576 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.808 8.988 -10.032 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -3.478 7.899 -9.693 1.00 0.00 H new ATOM 492 N GLY A 35 -6.579 9.581 -7.287 1.00 0.00 N ATOM 493 CA GLY A 35 -7.921 10.206 -7.033 1.00 0.00 C ATOM 494 C GLY A 35 -8.992 9.191 -6.652 1.00 0.00 C ATOM 495 O GLY A 35 -9.360 9.054 -5.501 1.00 0.00 O ATOM 0 H GLY A 35 -5.807 10.120 -6.895 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.827 10.942 -6.235 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.240 10.743 -7.926 1.00 0.00 H new ATOM 499 N ASP A 36 -9.510 8.505 -7.615 1.00 0.00 N ATOM 500 CA ASP A 36 -10.588 7.509 -7.348 1.00 0.00 C ATOM 501 C ASP A 36 -10.034 6.322 -6.559 1.00 0.00 C ATOM 502 O ASP A 36 -10.768 5.445 -6.151 1.00 0.00 O ATOM 503 CB ASP A 36 -11.155 7.010 -8.678 1.00 0.00 C ATOM 504 CG ASP A 36 -11.896 8.151 -9.376 1.00 0.00 C ATOM 505 OD1 ASP A 36 -12.992 8.472 -8.944 1.00 0.00 O ATOM 506 OD2 ASP A 36 -11.357 8.685 -10.331 1.00 0.00 O ATOM 0 H ASP A 36 -9.235 8.586 -8.594 1.00 0.00 H new ATOM 0 HA ASP A 36 -11.373 7.987 -6.762 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.350 6.642 -9.314 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.832 6.174 -8.506 1.00 0.00 H new ATOM 511 N GLY A 37 -8.750 6.277 -6.346 1.00 0.00 N ATOM 512 CA GLY A 37 -8.169 5.142 -5.596 1.00 0.00 C ATOM 513 C GLY A 37 -7.822 4.025 -6.578 1.00 0.00 C ATOM 514 O GLY A 37 -7.636 2.888 -6.189 1.00 0.00 O ATOM 0 H GLY A 37 -8.081 6.980 -6.661 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.276 5.463 -5.059 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.877 4.781 -4.850 1.00 0.00 H new ATOM 518 N ASN A 38 -7.725 4.330 -7.851 1.00 0.00 N ATOM 519 CA ASN A 38 -7.378 3.253 -8.826 1.00 0.00 C ATOM 520 C ASN A 38 -5.909 2.893 -8.640 1.00 0.00 C ATOM 521 O ASN A 38 -5.080 3.748 -8.424 1.00 0.00 O ATOM 522 CB ASN A 38 -7.622 3.731 -10.257 1.00 0.00 C ATOM 523 CG ASN A 38 -9.021 3.305 -10.703 1.00 0.00 C ATOM 524 OD1 ASN A 38 -9.234 2.165 -11.065 1.00 0.00 O ATOM 525 ND2 ASN A 38 -9.993 4.177 -10.694 1.00 0.00 N ATOM 0 H ASN A 38 -7.868 5.258 -8.249 1.00 0.00 H new ATOM 0 HA ASN A 38 -8.005 2.379 -8.649 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -7.525 4.815 -10.311 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.871 3.310 -10.926 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -10.929 3.900 -10.991 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -9.816 5.135 -10.390 1.00 0.00 H new ATOM 532 N ILE A 39 -5.583 1.634 -8.686 1.00 0.00 N ATOM 533 CA ILE A 39 -4.165 1.228 -8.466 1.00 0.00 C ATOM 534 C ILE A 39 -3.245 1.781 -9.563 1.00 0.00 C ATOM 535 O ILE A 39 -3.532 1.711 -10.741 1.00 0.00 O ATOM 536 CB ILE A 39 -4.076 -0.323 -8.385 1.00 0.00 C ATOM 537 CG1 ILE A 39 -3.367 -0.708 -7.083 1.00 0.00 C ATOM 538 CG2 ILE A 39 -3.307 -0.935 -9.571 1.00 0.00 C ATOM 539 CD1 ILE A 39 -4.381 -1.297 -6.101 1.00 0.00 C ATOM 0 H ILE A 39 -6.233 0.869 -8.866 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.822 1.652 -7.522 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.093 -0.714 -8.416 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.579 -1.433 -7.287 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.888 0.168 -6.645 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.275 -2.019 -9.464 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.810 -0.677 -10.503 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.290 -0.542 -9.587 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.875 -1.570 -5.175 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.153 -0.557 -5.888 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.839 -2.184 -6.539 1.00 0.00 H new ATOM 551 N LEU A 40 -2.119 2.290 -9.155 1.00 0.00 N ATOM 552 CA LEU A 40 -1.118 2.815 -10.125 1.00 0.00 C ATOM 553 C LEU A 40 0.067 1.840 -10.145 1.00 0.00 C ATOM 554 O LEU A 40 0.754 1.688 -11.136 1.00 0.00 O ATOM 555 CB LEU A 40 -0.620 4.199 -9.680 1.00 0.00 C ATOM 556 CG LEU A 40 -1.731 4.964 -8.949 1.00 0.00 C ATOM 557 CD1 LEU A 40 -1.186 6.303 -8.459 1.00 0.00 C ATOM 558 CD2 LEU A 40 -2.896 5.210 -9.903 1.00 0.00 C ATOM 0 H LEU A 40 -1.844 2.366 -8.176 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.570 2.908 -11.113 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.244 4.087 -9.025 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.289 4.769 -10.548 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.077 4.376 -8.099 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.974 6.848 -7.939 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.354 6.129 -7.777 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.840 6.889 -9.311 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.684 5.753 -9.382 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.552 5.798 -10.754 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.286 4.255 -10.255 1.00 0.00 H new ATOM 570 N GLN A 41 0.297 1.179 -9.038 1.00 0.00 N ATOM 571 CA GLN A 41 1.420 0.202 -8.936 1.00 0.00 C ATOM 572 C GLN A 41 1.146 -0.677 -7.693 1.00 0.00 C ATOM 573 O GLN A 41 0.311 -0.345 -6.880 1.00 0.00 O ATOM 574 CB GLN A 41 2.742 1.001 -8.843 1.00 0.00 C ATOM 575 CG GLN A 41 3.837 0.227 -8.100 1.00 0.00 C ATOM 576 CD GLN A 41 3.769 0.522 -6.597 1.00 0.00 C ATOM 577 OE1 GLN A 41 4.706 0.236 -5.880 1.00 0.00 O ATOM 578 NE2 GLN A 41 2.703 1.085 -6.079 1.00 0.00 N ATOM 0 H GLN A 41 -0.257 1.278 -8.187 1.00 0.00 H new ATOM 0 HA GLN A 41 1.502 -0.455 -9.802 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.089 1.244 -9.847 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.558 1.946 -8.332 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.718 -0.842 -8.274 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.817 0.506 -8.488 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.913 1.327 -6.677 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.665 1.280 -5.079 1.00 0.00 H new ATOM 587 N TYR A 42 1.784 -1.811 -7.554 1.00 0.00 N ATOM 588 CA TYR A 42 1.477 -2.692 -6.378 1.00 0.00 C ATOM 589 C TYR A 42 2.753 -3.389 -5.872 1.00 0.00 C ATOM 590 O TYR A 42 3.194 -3.161 -4.756 1.00 0.00 O ATOM 591 CB TYR A 42 0.479 -3.758 -6.852 1.00 0.00 C ATOM 592 CG TYR A 42 -0.523 -4.106 -5.772 1.00 0.00 C ATOM 593 CD1 TYR A 42 -1.424 -3.143 -5.303 1.00 0.00 C ATOM 594 CD2 TYR A 42 -0.572 -5.411 -5.266 1.00 0.00 C ATOM 595 CE1 TYR A 42 -2.373 -3.487 -4.327 1.00 0.00 C ATOM 596 CE2 TYR A 42 -1.514 -5.751 -4.293 1.00 0.00 C ATOM 597 CZ TYR A 42 -2.415 -4.795 -3.823 1.00 0.00 C ATOM 598 OH TYR A 42 -3.347 -5.147 -2.865 1.00 0.00 O ATOM 0 H TYR A 42 2.496 -2.165 -8.193 1.00 0.00 H new ATOM 0 HA TYR A 42 1.068 -2.094 -5.563 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -0.048 -3.396 -7.735 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.020 -4.656 -7.150 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -1.389 -2.136 -5.692 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.120 -6.156 -5.629 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -3.070 -2.745 -3.965 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -1.545 -6.758 -3.903 1.00 0.00 H new ATOM 0 HH TYR A 42 -3.100 -6.009 -2.469 1.00 0.00 H new ATOM 608 N ASN A 43 3.304 -4.252 -6.706 1.00 0.00 N ATOM 609 CA ASN A 43 4.537 -5.062 -6.394 1.00 0.00 C ATOM 610 C ASN A 43 4.098 -6.518 -6.154 1.00 0.00 C ATOM 611 O ASN A 43 2.921 -6.814 -6.121 1.00 0.00 O ATOM 612 CB ASN A 43 5.353 -4.491 -5.206 1.00 0.00 C ATOM 613 CG ASN A 43 4.839 -5.008 -3.860 1.00 0.00 C ATOM 614 OD1 ASN A 43 3.671 -5.304 -3.716 1.00 0.00 O ATOM 615 ND2 ASN A 43 5.673 -5.119 -2.863 1.00 0.00 N ATOM 0 H ASN A 43 2.928 -4.435 -7.636 1.00 0.00 H new ATOM 0 HA ASN A 43 5.220 -5.014 -7.242 1.00 0.00 H new ATOM 0 HB2 ASN A 43 6.402 -4.762 -5.322 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.302 -3.402 -5.220 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.344 -5.456 -1.958 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.654 -4.869 -2.988 1.00 0.00 H new ATOM 622 N ALA A 44 5.020 -7.437 -6.037 1.00 0.00 N ATOM 623 CA ALA A 44 4.618 -8.870 -5.863 1.00 0.00 C ATOM 624 C ALA A 44 4.586 -9.287 -4.387 1.00 0.00 C ATOM 625 O ALA A 44 3.957 -10.264 -4.037 1.00 0.00 O ATOM 626 CB ALA A 44 5.611 -9.760 -6.611 1.00 0.00 C ATOM 0 H ALA A 44 6.025 -7.263 -6.054 1.00 0.00 H new ATOM 0 HA ALA A 44 3.611 -8.985 -6.264 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.326 -10.805 -6.490 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.604 -9.503 -7.670 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.612 -9.608 -6.207 1.00 0.00 H new ATOM 632 N ALA A 45 5.260 -8.585 -3.522 1.00 0.00 N ATOM 633 CA ALA A 45 5.257 -8.989 -2.081 1.00 0.00 C ATOM 634 C ALA A 45 3.819 -9.162 -1.580 1.00 0.00 C ATOM 635 O ALA A 45 3.429 -10.224 -1.133 1.00 0.00 O ATOM 636 CB ALA A 45 5.963 -7.917 -1.250 1.00 0.00 C ATOM 0 H ALA A 45 5.810 -7.755 -3.743 1.00 0.00 H new ATOM 0 HA ALA A 45 5.782 -9.939 -1.979 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.961 -8.211 -0.200 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.991 -7.808 -1.595 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.440 -6.967 -1.362 1.00 0.00 H new ATOM 642 N GLU A 46 3.035 -8.127 -1.640 1.00 0.00 N ATOM 643 CA GLU A 46 1.628 -8.236 -1.163 1.00 0.00 C ATOM 644 C GLU A 46 0.878 -9.251 -2.006 1.00 0.00 C ATOM 645 O GLU A 46 0.174 -10.086 -1.498 1.00 0.00 O ATOM 646 CB GLU A 46 0.935 -6.887 -1.294 1.00 0.00 C ATOM 647 CG GLU A 46 1.061 -6.375 -2.726 1.00 0.00 C ATOM 648 CD GLU A 46 0.804 -4.870 -2.756 1.00 0.00 C ATOM 649 OE1 GLU A 46 1.320 -4.220 -3.649 1.00 0.00 O ATOM 650 OE2 GLU A 46 -0.002 -4.341 -1.769 1.00 0.00 O ATOM 0 H GLU A 46 3.304 -7.211 -1.998 1.00 0.00 H new ATOM 0 HA GLU A 46 1.633 -8.551 -0.120 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.117 -6.981 -1.023 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.379 -6.171 -0.602 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.056 -6.592 -3.114 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.348 -6.889 -3.371 1.00 0.00 H new ATOM 658 N GLY A 47 1.020 -9.180 -3.290 1.00 0.00 N ATOM 659 CA GLY A 47 0.304 -10.147 -4.168 1.00 0.00 C ATOM 660 C GLY A 47 0.722 -11.580 -3.814 1.00 0.00 C ATOM 661 O GLY A 47 0.073 -12.532 -4.196 1.00 0.00 O ATOM 0 H GLY A 47 1.600 -8.496 -3.776 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.773 -10.033 -4.048 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.532 -9.940 -5.214 1.00 0.00 H new ATOM 665 N ASP A 48 1.800 -11.750 -3.096 1.00 0.00 N ATOM 666 CA ASP A 48 2.243 -13.129 -2.736 1.00 0.00 C ATOM 667 C ASP A 48 1.481 -13.618 -1.500 1.00 0.00 C ATOM 668 O ASP A 48 1.186 -14.788 -1.365 1.00 0.00 O ATOM 669 CB ASP A 48 3.742 -13.119 -2.435 1.00 0.00 C ATOM 670 CG ASP A 48 4.484 -13.926 -3.501 1.00 0.00 C ATOM 671 OD1 ASP A 48 4.081 -15.049 -3.752 1.00 0.00 O ATOM 672 OD2 ASP A 48 5.444 -13.407 -4.047 1.00 0.00 O ATOM 0 H ASP A 48 2.391 -10.997 -2.744 1.00 0.00 H new ATOM 0 HA ASP A 48 2.039 -13.799 -3.571 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.113 -12.094 -2.417 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.928 -13.543 -1.448 1.00 0.00 H new ATOM 677 N ILE A 49 1.175 -12.735 -0.589 1.00 0.00 N ATOM 678 CA ILE A 49 0.449 -13.147 0.642 1.00 0.00 C ATOM 679 C ILE A 49 -1.062 -13.215 0.357 1.00 0.00 C ATOM 680 O ILE A 49 -1.755 -14.105 0.808 1.00 0.00 O ATOM 681 CB ILE A 49 0.783 -12.116 1.732 1.00 0.00 C ATOM 682 CG1 ILE A 49 1.775 -12.733 2.724 1.00 0.00 C ATOM 683 CG2 ILE A 49 -0.460 -11.641 2.494 1.00 0.00 C ATOM 684 CD1 ILE A 49 3.115 -12.004 2.630 1.00 0.00 C ATOM 0 H ILE A 49 1.399 -11.741 -0.646 1.00 0.00 H new ATOM 0 HA ILE A 49 0.752 -14.139 0.976 1.00 0.00 H new ATOM 0 HB ILE A 49 1.216 -11.247 1.237 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.382 -12.663 3.738 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.910 -13.793 2.507 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.167 -10.914 3.252 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.159 -11.177 1.798 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.940 -12.493 2.975 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.819 -12.444 3.336 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.510 -12.097 1.618 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.973 -10.950 2.868 1.00 0.00 H new ATOM 696 N THR A 50 -1.564 -12.269 -0.379 1.00 0.00 N ATOM 697 CA THR A 50 -3.025 -12.249 -0.692 1.00 0.00 C ATOM 698 C THR A 50 -3.260 -12.688 -2.146 1.00 0.00 C ATOM 699 O THR A 50 -4.385 -12.760 -2.600 1.00 0.00 O ATOM 700 CB THR A 50 -3.640 -10.837 -0.452 1.00 0.00 C ATOM 701 OG1 THR A 50 -4.585 -10.544 -1.473 1.00 0.00 O ATOM 702 CG2 THR A 50 -2.571 -9.727 -0.441 1.00 0.00 C ATOM 0 H THR A 50 -1.026 -11.502 -0.782 1.00 0.00 H new ATOM 0 HA THR A 50 -3.521 -12.949 -0.020 1.00 0.00 H new ATOM 0 HB THR A 50 -4.119 -10.860 0.527 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.187 -11.308 -1.591 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.050 -8.763 -0.270 1.00 0.00 H new ATOM 0 HG22 THR A 50 -1.853 -9.922 0.355 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.054 -9.711 -1.400 1.00 0.00 H new ATOM 710 N GLY A 51 -2.222 -12.998 -2.879 1.00 0.00 N ATOM 711 CA GLY A 51 -2.420 -13.445 -4.286 1.00 0.00 C ATOM 712 C GLY A 51 -2.652 -12.241 -5.208 1.00 0.00 C ATOM 713 O GLY A 51 -2.804 -12.394 -6.403 1.00 0.00 O ATOM 0 H GLY A 51 -1.252 -12.961 -2.565 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.547 -14.004 -4.622 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.272 -14.122 -4.342 1.00 0.00 H new ATOM 717 N ARG A 52 -2.703 -11.049 -4.672 1.00 0.00 N ATOM 718 CA ARG A 52 -2.946 -9.857 -5.536 1.00 0.00 C ATOM 719 C ARG A 52 -1.674 -9.453 -6.275 1.00 0.00 C ATOM 720 O ARG A 52 -0.972 -8.543 -5.880 1.00 0.00 O ATOM 721 CB ARG A 52 -3.418 -8.694 -4.674 1.00 0.00 C ATOM 722 CG ARG A 52 -4.935 -8.597 -4.779 1.00 0.00 C ATOM 723 CD ARG A 52 -5.410 -7.213 -4.348 1.00 0.00 C ATOM 724 NE ARG A 52 -6.338 -7.357 -3.193 1.00 0.00 N ATOM 725 CZ ARG A 52 -7.428 -8.075 -3.343 1.00 0.00 C ATOM 726 NH1 ARG A 52 -8.048 -8.083 -4.492 1.00 0.00 N ATOM 727 NH2 ARG A 52 -7.886 -8.803 -2.366 1.00 0.00 N ATOM 0 H ARG A 52 -2.587 -10.851 -3.678 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.710 -10.112 -6.271 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.119 -8.846 -3.637 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.955 -7.765 -5.006 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.248 -8.793 -5.804 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.399 -9.359 -4.153 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.558 -6.592 -4.071 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -5.914 -6.713 -5.175 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.131 -6.907 -2.301 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.686 -7.533 -5.271 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.894 -8.640 -4.611 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.398 -8.821 -1.471 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.733 -9.356 -2.496 1.00 0.00 H new ATOM 741 N ASP A 53 -1.388 -10.108 -7.359 1.00 0.00 N ATOM 742 CA ASP A 53 -0.176 -9.755 -8.149 1.00 0.00 C ATOM 743 C ASP A 53 -0.268 -8.278 -8.560 1.00 0.00 C ATOM 744 O ASP A 53 -1.258 -7.631 -8.278 1.00 0.00 O ATOM 745 CB ASP A 53 -0.118 -10.638 -9.397 1.00 0.00 C ATOM 746 CG ASP A 53 1.123 -11.532 -9.335 1.00 0.00 C ATOM 747 OD1 ASP A 53 1.295 -12.207 -8.333 1.00 0.00 O ATOM 748 OD2 ASP A 53 1.880 -11.528 -10.292 1.00 0.00 O ATOM 0 H ASP A 53 -1.942 -10.877 -7.736 1.00 0.00 H new ATOM 0 HA ASP A 53 0.723 -9.914 -7.554 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.017 -11.251 -9.464 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.088 -10.018 -10.293 1.00 0.00 H new ATOM 753 N PRO A 54 0.757 -7.775 -9.212 1.00 0.00 N ATOM 754 CA PRO A 54 0.781 -6.370 -9.656 1.00 0.00 C ATOM 755 C PRO A 54 -0.101 -6.188 -10.894 1.00 0.00 C ATOM 756 O PRO A 54 -0.731 -5.164 -11.072 1.00 0.00 O ATOM 757 CB PRO A 54 2.254 -6.116 -9.982 1.00 0.00 C ATOM 758 CG PRO A 54 2.888 -7.501 -10.247 1.00 0.00 C ATOM 759 CD PRO A 54 1.975 -8.540 -9.570 1.00 0.00 C ATOM 0 HA PRO A 54 0.397 -5.676 -8.908 1.00 0.00 H new ATOM 0 HB2 PRO A 54 2.353 -5.470 -10.855 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.754 -5.612 -9.155 1.00 0.00 H new ATOM 0 HG2 PRO A 54 2.966 -7.693 -11.317 1.00 0.00 H new ATOM 0 HG3 PRO A 54 3.898 -7.549 -9.840 1.00 0.00 H new ATOM 0 HD2 PRO A 54 1.743 -9.365 -10.243 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.448 -8.971 -8.688 1.00 0.00 H new ATOM 767 N LYS A 55 -0.154 -7.174 -11.747 1.00 0.00 N ATOM 768 CA LYS A 55 -0.994 -7.058 -12.967 1.00 0.00 C ATOM 769 C LYS A 55 -2.455 -7.345 -12.610 1.00 0.00 C ATOM 770 O LYS A 55 -3.364 -6.923 -13.297 1.00 0.00 O ATOM 771 CB LYS A 55 -0.516 -8.066 -14.015 1.00 0.00 C ATOM 772 CG LYS A 55 -0.824 -7.533 -15.417 1.00 0.00 C ATOM 773 CD LYS A 55 0.480 -7.375 -16.201 1.00 0.00 C ATOM 774 CE LYS A 55 1.199 -6.103 -15.748 1.00 0.00 C ATOM 775 NZ LYS A 55 2.484 -6.466 -15.085 1.00 0.00 N ATOM 0 H LYS A 55 0.350 -8.055 -11.649 1.00 0.00 H new ATOM 0 HA LYS A 55 -0.910 -6.049 -13.371 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.555 -8.238 -13.907 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.010 -9.026 -13.863 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.494 -8.217 -15.939 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.338 -6.574 -15.348 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.120 -8.243 -16.042 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.270 -7.326 -17.269 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.390 -5.456 -16.604 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.568 -5.542 -15.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.019 -5.601 -14.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.286 -6.981 -14.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.044 -7.070 -15.720 1.00 0.00 H new ATOM 789 N GLN A 56 -2.688 -8.060 -11.543 1.00 0.00 N ATOM 790 CA GLN A 56 -4.090 -8.374 -11.149 1.00 0.00 C ATOM 791 C GLN A 56 -4.711 -7.162 -10.450 1.00 0.00 C ATOM 792 O GLN A 56 -5.854 -6.820 -10.683 1.00 0.00 O ATOM 793 CB GLN A 56 -4.097 -9.574 -10.198 1.00 0.00 C ATOM 794 CG GLN A 56 -3.376 -10.754 -10.855 1.00 0.00 C ATOM 795 CD GLN A 56 -4.396 -11.643 -11.567 1.00 0.00 C ATOM 796 OE1 GLN A 56 -4.684 -12.735 -11.120 1.00 0.00 O ATOM 797 NE2 GLN A 56 -4.958 -11.219 -12.666 1.00 0.00 N ATOM 0 H GLN A 56 -1.968 -8.440 -10.928 1.00 0.00 H new ATOM 0 HA GLN A 56 -4.671 -8.614 -12.039 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -3.606 -9.311 -9.261 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.122 -9.852 -9.954 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -2.635 -10.390 -11.567 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -2.838 -11.330 -10.102 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -4.716 -10.302 -13.041 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -5.639 -11.805 -13.149 1.00 0.00 H new ATOM 806 N VAL A 57 -3.969 -6.506 -9.602 1.00 0.00 N ATOM 807 CA VAL A 57 -4.523 -5.313 -8.898 1.00 0.00 C ATOM 808 C VAL A 57 -4.668 -4.153 -9.882 1.00 0.00 C ATOM 809 O VAL A 57 -5.225 -3.126 -9.557 1.00 0.00 O ATOM 810 CB VAL A 57 -3.579 -4.898 -7.775 1.00 0.00 C ATOM 811 CG1 VAL A 57 -3.504 -6.021 -6.741 1.00 0.00 C ATOM 812 CG2 VAL A 57 -2.188 -4.633 -8.358 1.00 0.00 C ATOM 0 H VAL A 57 -3.005 -6.742 -9.366 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.499 -5.566 -8.485 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.947 -3.991 -7.296 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.830 -5.729 -5.935 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -4.498 -6.207 -6.333 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.131 -6.928 -7.216 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.509 -4.336 -7.559 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.814 -5.540 -8.833 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.249 -3.835 -9.097 1.00 0.00 H new ATOM 822 N ILE A 58 -4.173 -4.300 -11.081 1.00 0.00 N ATOM 823 CA ILE A 58 -4.299 -3.197 -12.064 1.00 0.00 C ATOM 824 C ILE A 58 -5.773 -3.076 -12.456 1.00 0.00 C ATOM 825 O ILE A 58 -6.392 -4.022 -12.902 1.00 0.00 O ATOM 826 CB ILE A 58 -3.383 -3.497 -13.275 1.00 0.00 C ATOM 827 CG1 ILE A 58 -2.196 -2.539 -13.220 1.00 0.00 C ATOM 828 CG2 ILE A 58 -4.109 -3.321 -14.622 1.00 0.00 C ATOM 829 CD1 ILE A 58 -1.250 -2.821 -14.391 1.00 0.00 C ATOM 0 H ILE A 58 -3.690 -5.133 -11.417 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.980 -2.242 -11.646 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.065 -4.538 -13.213 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.546 -1.508 -13.263 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.665 -2.656 -12.275 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.421 -3.544 -15.438 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.960 -4.001 -14.668 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.461 -2.293 -14.714 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.404 -2.135 -14.348 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.889 -3.847 -14.328 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.783 -2.681 -15.331 1.00 0.00 H new ATOM 841 N GLY A 59 -6.338 -1.925 -12.267 1.00 0.00 N ATOM 842 CA GLY A 59 -7.776 -1.741 -12.600 1.00 0.00 C ATOM 843 C GLY A 59 -8.599 -1.942 -11.326 1.00 0.00 C ATOM 844 O GLY A 59 -9.706 -1.458 -11.204 1.00 0.00 O ATOM 0 H GLY A 59 -5.868 -1.099 -11.896 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.946 -0.744 -13.007 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.082 -2.455 -13.365 1.00 0.00 H new ATOM 848 N LYS A 60 -8.056 -2.653 -10.370 1.00 0.00 N ATOM 849 CA LYS A 60 -8.788 -2.889 -9.097 1.00 0.00 C ATOM 850 C LYS A 60 -8.642 -1.662 -8.199 1.00 0.00 C ATOM 851 O LYS A 60 -7.564 -1.116 -8.047 1.00 0.00 O ATOM 852 CB LYS A 60 -8.189 -4.103 -8.372 1.00 0.00 C ATOM 853 CG LYS A 60 -7.937 -5.242 -9.365 1.00 0.00 C ATOM 854 CD LYS A 60 -9.239 -5.593 -10.092 1.00 0.00 C ATOM 855 CE LYS A 60 -9.394 -7.113 -10.163 1.00 0.00 C ATOM 856 NZ LYS A 60 -10.429 -7.462 -11.177 1.00 0.00 N ATOM 0 H LYS A 60 -7.131 -3.081 -10.421 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.840 -3.073 -9.316 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.255 -3.821 -7.886 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -8.867 -4.438 -7.588 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.175 -4.946 -10.086 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.556 -6.117 -8.839 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.089 -5.155 -9.569 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.231 -5.171 -11.097 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.442 -7.574 -10.426 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.679 -7.506 -9.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.534 -8.496 -11.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.338 -7.034 -10.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.139 -7.100 -12.108 1.00 0.00 H new ATOM 870 N ASN A 61 -9.707 -1.236 -7.582 1.00 0.00 N ATOM 871 CA ASN A 61 -9.606 -0.067 -6.675 1.00 0.00 C ATOM 872 C ASN A 61 -9.017 -0.554 -5.355 1.00 0.00 C ATOM 873 O ASN A 61 -9.503 -1.498 -4.764 1.00 0.00 O ATOM 874 CB ASN A 61 -10.995 0.529 -6.434 1.00 0.00 C ATOM 875 CG ASN A 61 -11.008 1.987 -6.898 1.00 0.00 C ATOM 876 OD1 ASN A 61 -11.024 2.894 -6.089 1.00 0.00 O ATOM 877 ND2 ASN A 61 -11.000 2.252 -8.174 1.00 0.00 N ATOM 0 H ASN A 61 -10.637 -1.646 -7.667 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.974 0.703 -7.116 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -11.748 -0.044 -6.976 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.250 0.470 -5.376 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -11.007 3.221 -8.494 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -10.987 1.491 -8.853 1.00 0.00 H new ATOM 884 N PHE A 62 -7.969 0.063 -4.889 1.00 0.00 N ATOM 885 CA PHE A 62 -7.360 -0.395 -3.610 1.00 0.00 C ATOM 886 C PHE A 62 -8.359 -0.260 -2.458 1.00 0.00 C ATOM 887 O PHE A 62 -8.141 -0.776 -1.380 1.00 0.00 O ATOM 888 CB PHE A 62 -6.124 0.438 -3.286 1.00 0.00 C ATOM 889 CG PHE A 62 -5.512 -0.120 -2.029 1.00 0.00 C ATOM 890 CD1 PHE A 62 -4.646 -1.212 -2.100 1.00 0.00 C ATOM 891 CD2 PHE A 62 -5.839 0.436 -0.791 1.00 0.00 C ATOM 892 CE1 PHE A 62 -4.105 -1.753 -0.927 1.00 0.00 C ATOM 893 CE2 PHE A 62 -5.294 -0.096 0.380 1.00 0.00 C ATOM 894 CZ PHE A 62 -4.430 -1.192 0.312 1.00 0.00 C ATOM 0 H PHE A 62 -7.510 0.858 -5.334 1.00 0.00 H new ATOM 0 HA PHE A 62 -7.081 -1.442 -3.728 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -5.410 0.399 -4.109 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.394 1.485 -3.148 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -4.393 -1.640 -3.059 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.514 1.278 -0.739 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -3.439 -2.601 -0.979 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.540 0.339 1.337 1.00 0.00 H new ATOM 0 HZ PHE A 62 -4.013 -1.606 1.218 1.00 0.00 H new ATOM 904 N PHE A 63 -9.437 0.439 -2.659 1.00 0.00 N ATOM 905 CA PHE A 63 -10.414 0.609 -1.550 1.00 0.00 C ATOM 906 C PHE A 63 -11.774 0.017 -1.937 1.00 0.00 C ATOM 907 O PHE A 63 -12.802 0.468 -1.472 1.00 0.00 O ATOM 908 CB PHE A 63 -10.584 2.102 -1.257 1.00 0.00 C ATOM 909 CG PHE A 63 -9.454 2.586 -0.376 1.00 0.00 C ATOM 910 CD1 PHE A 63 -8.261 3.043 -0.951 1.00 0.00 C ATOM 911 CD2 PHE A 63 -9.603 2.587 1.016 1.00 0.00 C ATOM 912 CE1 PHE A 63 -7.220 3.501 -0.133 1.00 0.00 C ATOM 913 CE2 PHE A 63 -8.561 3.044 1.831 1.00 0.00 C ATOM 914 CZ PHE A 63 -7.370 3.501 1.257 1.00 0.00 C ATOM 0 H PHE A 63 -9.684 0.898 -3.536 1.00 0.00 H new ATOM 0 HA PHE A 63 -10.040 0.090 -0.668 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -10.596 2.665 -2.190 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -11.541 2.278 -0.766 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -8.144 3.042 -2.025 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -10.522 2.235 1.461 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -6.301 3.854 -0.577 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -8.677 3.044 2.905 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.567 3.854 1.887 1.00 0.00 H new ATOM 924 N LYS A 64 -11.803 -0.984 -2.780 1.00 0.00 N ATOM 925 CA LYS A 64 -13.121 -1.570 -3.169 1.00 0.00 C ATOM 926 C LYS A 64 -12.945 -2.989 -3.720 1.00 0.00 C ATOM 927 O LYS A 64 -13.627 -3.908 -3.309 1.00 0.00 O ATOM 928 CB LYS A 64 -13.774 -0.690 -4.237 1.00 0.00 C ATOM 929 CG LYS A 64 -14.991 0.017 -3.640 1.00 0.00 C ATOM 930 CD LYS A 64 -15.711 0.811 -4.731 1.00 0.00 C ATOM 931 CE LYS A 64 -15.796 2.282 -4.319 1.00 0.00 C ATOM 932 NZ LYS A 64 -17.075 2.522 -3.592 1.00 0.00 N ATOM 0 H LYS A 64 -10.985 -1.415 -3.210 1.00 0.00 H new ATOM 0 HA LYS A 64 -13.755 -1.616 -2.283 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -13.058 0.044 -4.606 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -14.075 -1.298 -5.090 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -15.670 -0.714 -3.201 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -14.679 0.684 -2.837 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -15.177 0.717 -5.676 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -16.711 0.408 -4.889 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -14.950 2.542 -3.683 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -15.741 2.921 -5.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -17.133 3.522 -3.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -17.876 2.290 -4.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -17.110 1.922 -2.743 1.00 0.00 H new ATOM 946 N ASP A 65 -12.058 -3.181 -4.659 1.00 0.00 N ATOM 947 CA ASP A 65 -11.875 -4.546 -5.233 1.00 0.00 C ATOM 948 C ASP A 65 -10.508 -5.118 -4.842 1.00 0.00 C ATOM 949 O ASP A 65 -10.107 -6.158 -5.324 1.00 0.00 O ATOM 950 CB ASP A 65 -11.979 -4.471 -6.759 1.00 0.00 C ATOM 951 CG ASP A 65 -12.161 -5.879 -7.331 1.00 0.00 C ATOM 952 OD1 ASP A 65 -13.112 -6.537 -6.943 1.00 0.00 O ATOM 953 OD2 ASP A 65 -11.347 -6.274 -8.150 1.00 0.00 O ATOM 0 H ASP A 65 -11.456 -2.457 -5.052 1.00 0.00 H new ATOM 0 HA ASP A 65 -12.652 -5.200 -4.838 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.820 -3.840 -7.046 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -11.081 -4.013 -7.173 1.00 0.00 H new ATOM 958 N VAL A 66 -9.783 -4.458 -3.979 1.00 0.00 N ATOM 959 CA VAL A 66 -8.455 -4.979 -3.574 1.00 0.00 C ATOM 960 C VAL A 66 -8.467 -5.202 -2.073 1.00 0.00 C ATOM 961 O VAL A 66 -7.960 -6.174 -1.559 1.00 0.00 O ATOM 962 CB VAL A 66 -7.417 -3.922 -3.912 1.00 0.00 C ATOM 963 CG1 VAL A 66 -6.021 -4.372 -3.498 1.00 0.00 C ATOM 964 CG2 VAL A 66 -7.436 -3.665 -5.411 1.00 0.00 C ATOM 0 H VAL A 66 -10.058 -3.580 -3.539 1.00 0.00 H new ATOM 0 HA VAL A 66 -8.226 -5.913 -4.086 1.00 0.00 H new ATOM 0 HB VAL A 66 -7.661 -3.010 -3.367 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.298 -3.596 -3.752 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.000 -4.550 -2.423 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.765 -5.292 -4.023 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.693 -2.907 -5.660 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -7.204 -4.589 -5.941 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -8.425 -3.315 -5.708 1.00 0.00 H new ATOM 974 N ALA A 67 -9.042 -4.288 -1.367 1.00 0.00 N ATOM 975 CA ALA A 67 -9.088 -4.403 0.101 1.00 0.00 C ATOM 976 C ALA A 67 -10.461 -3.909 0.583 1.00 0.00 C ATOM 977 O ALA A 67 -10.653 -2.723 0.761 1.00 0.00 O ATOM 978 CB ALA A 67 -7.973 -3.519 0.660 1.00 0.00 C ATOM 0 H ALA A 67 -9.488 -3.454 -1.749 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.948 -5.431 0.435 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.974 -3.577 1.748 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.011 -3.862 0.279 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.138 -2.487 0.352 1.00 0.00 H new ATOM 984 N PRO A 68 -11.390 -4.827 0.775 1.00 0.00 N ATOM 985 CA PRO A 68 -12.748 -4.477 1.225 1.00 0.00 C ATOM 986 C PRO A 68 -12.733 -4.067 2.698 1.00 0.00 C ATOM 987 O PRO A 68 -13.715 -3.590 3.230 1.00 0.00 O ATOM 988 CB PRO A 68 -13.552 -5.763 1.006 1.00 0.00 C ATOM 989 CG PRO A 68 -12.526 -6.916 0.963 1.00 0.00 C ATOM 990 CD PRO A 68 -11.174 -6.282 0.585 1.00 0.00 C ATOM 0 HA PRO A 68 -13.174 -3.631 0.686 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -14.271 -5.913 1.811 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -14.119 -5.713 0.077 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -12.464 -7.416 1.929 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -12.819 -7.670 0.232 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -10.369 -6.652 1.220 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -10.899 -6.513 -0.444 1.00 0.00 H new ATOM 998 N CYS A 69 -11.620 -4.232 3.357 1.00 0.00 N ATOM 999 CA CYS A 69 -11.534 -3.838 4.784 1.00 0.00 C ATOM 1000 C CYS A 69 -10.971 -2.414 4.877 1.00 0.00 C ATOM 1001 O CYS A 69 -11.150 -1.728 5.861 1.00 0.00 O ATOM 1002 CB CYS A 69 -10.606 -4.812 5.518 1.00 0.00 C ATOM 1003 SG CYS A 69 -8.916 -4.649 4.884 1.00 0.00 S ATOM 0 H CYS A 69 -10.765 -4.625 2.964 1.00 0.00 H new ATOM 0 HA CYS A 69 -12.523 -3.867 5.241 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -10.623 -4.608 6.589 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -10.958 -5.835 5.383 1.00 0.00 H new ATOM 1008 N THR A 70 -10.284 -1.970 3.853 1.00 0.00 N ATOM 1009 CA THR A 70 -9.699 -0.599 3.874 1.00 0.00 C ATOM 1010 C THR A 70 -10.796 0.447 3.652 1.00 0.00 C ATOM 1011 O THR A 70 -10.533 1.634 3.646 1.00 0.00 O ATOM 1012 CB THR A 70 -8.646 -0.475 2.771 1.00 0.00 C ATOM 1013 OG1 THR A 70 -9.180 -0.964 1.549 1.00 0.00 O ATOM 1014 CG2 THR A 70 -7.408 -1.288 3.150 1.00 0.00 C ATOM 0 H THR A 70 -10.104 -2.502 3.002 1.00 0.00 H new ATOM 0 HA THR A 70 -9.235 -0.427 4.845 1.00 0.00 H new ATOM 0 HB THR A 70 -8.368 0.572 2.652 1.00 0.00 H new ATOM 0 HG1 THR A 70 -10.045 -1.392 1.718 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.659 -1.199 2.363 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.997 -0.910 4.086 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.684 -2.336 3.271 1.00 0.00 H new ATOM 1022 N ASP A 71 -12.023 0.030 3.471 1.00 0.00 N ATOM 1023 CA ASP A 71 -13.114 1.019 3.264 1.00 0.00 C ATOM 1024 C ASP A 71 -13.687 1.416 4.625 1.00 0.00 C ATOM 1025 O ASP A 71 -14.871 1.305 4.874 1.00 0.00 O ATOM 1026 CB ASP A 71 -14.217 0.401 2.398 1.00 0.00 C ATOM 1027 CG ASP A 71 -14.759 -0.864 3.070 1.00 0.00 C ATOM 1028 OD1 ASP A 71 -14.305 -1.179 4.159 1.00 0.00 O ATOM 1029 OD2 ASP A 71 -15.622 -1.496 2.484 1.00 0.00 O ATOM 0 H ASP A 71 -12.312 -0.948 3.458 1.00 0.00 H new ATOM 0 HA ASP A 71 -12.721 1.901 2.758 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -15.023 1.120 2.253 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -13.824 0.159 1.411 1.00 0.00 H new ATOM 1034 N SER A 72 -12.845 1.876 5.509 1.00 0.00 N ATOM 1035 CA SER A 72 -13.314 2.284 6.862 1.00 0.00 C ATOM 1036 C SER A 72 -12.760 3.682 7.180 1.00 0.00 C ATOM 1037 O SER A 72 -12.034 4.241 6.381 1.00 0.00 O ATOM 1038 CB SER A 72 -12.806 1.278 7.895 1.00 0.00 C ATOM 1039 OG SER A 72 -12.435 0.075 7.235 1.00 0.00 O ATOM 0 H SER A 72 -11.844 1.987 5.350 1.00 0.00 H new ATOM 0 HA SER A 72 -14.403 2.308 6.890 1.00 0.00 H new ATOM 0 HB2 SER A 72 -11.952 1.690 8.432 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.580 1.077 8.635 1.00 0.00 H new ATOM 0 HG SER A 72 -11.724 -0.370 7.741 1.00 0.00 H new ATOM 1045 N PRO A 73 -13.123 4.218 8.329 1.00 0.00 N ATOM 1046 CA PRO A 73 -12.674 5.559 8.749 1.00 0.00 C ATOM 1047 C PRO A 73 -11.232 5.528 9.276 1.00 0.00 C ATOM 1048 O PRO A 73 -10.674 6.547 9.629 1.00 0.00 O ATOM 1049 CB PRO A 73 -13.652 5.933 9.865 1.00 0.00 C ATOM 1050 CG PRO A 73 -14.227 4.605 10.409 1.00 0.00 C ATOM 1051 CD PRO A 73 -14.007 3.548 9.312 1.00 0.00 C ATOM 0 HA PRO A 73 -12.669 6.274 7.926 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -13.146 6.489 10.654 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -14.448 6.573 9.485 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -13.726 4.315 11.332 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -15.287 4.708 10.641 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -13.543 2.647 9.715 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -14.950 3.245 8.857 1.00 0.00 H new ATOM 1059 N GLU A 74 -10.619 4.376 9.332 1.00 0.00 N ATOM 1060 CA GLU A 74 -9.222 4.309 9.830 1.00 0.00 C ATOM 1061 C GLU A 74 -8.278 4.070 8.654 1.00 0.00 C ATOM 1062 O GLU A 74 -7.120 4.434 8.686 1.00 0.00 O ATOM 1063 CB GLU A 74 -9.081 3.167 10.828 1.00 0.00 C ATOM 1064 CG GLU A 74 -10.116 3.327 11.942 1.00 0.00 C ATOM 1065 CD GLU A 74 -9.887 4.657 12.664 1.00 0.00 C ATOM 1066 OE1 GLU A 74 -8.967 4.723 13.462 1.00 0.00 O ATOM 1067 OE2 GLU A 74 -10.633 5.585 12.404 1.00 0.00 O ATOM 0 H GLU A 74 -11.027 3.483 9.055 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.971 5.249 10.322 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -9.220 2.211 10.324 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.076 3.162 11.250 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -11.123 3.296 11.525 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.038 2.500 12.647 1.00 0.00 H new ATOM 1074 N PHE A 75 -8.769 3.469 7.610 1.00 0.00 N ATOM 1075 CA PHE A 75 -7.912 3.224 6.422 1.00 0.00 C ATOM 1076 C PHE A 75 -8.267 4.274 5.368 1.00 0.00 C ATOM 1077 O PHE A 75 -7.520 5.207 5.125 1.00 0.00 O ATOM 1078 CB PHE A 75 -8.174 1.820 5.874 1.00 0.00 C ATOM 1079 CG PHE A 75 -6.890 1.264 5.312 1.00 0.00 C ATOM 1080 CD1 PHE A 75 -6.402 1.740 4.093 1.00 0.00 C ATOM 1081 CD2 PHE A 75 -6.188 0.278 6.011 1.00 0.00 C ATOM 1082 CE1 PHE A 75 -5.212 1.231 3.568 1.00 0.00 C ATOM 1083 CE2 PHE A 75 -4.995 -0.235 5.488 1.00 0.00 C ATOM 1084 CZ PHE A 75 -4.506 0.241 4.266 1.00 0.00 C ATOM 0 H PHE A 75 -9.730 3.136 7.528 1.00 0.00 H new ATOM 0 HA PHE A 75 -6.857 3.295 6.688 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.551 1.171 6.665 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -8.940 1.855 5.099 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.946 2.503 3.556 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -6.566 -0.088 6.954 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.836 1.600 2.625 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.452 -0.997 6.027 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.586 -0.154 3.861 1.00 0.00 H new ATOM 1094 N TYR A 76 -9.424 4.163 4.770 1.00 0.00 N ATOM 1095 CA TYR A 76 -9.822 5.189 3.773 1.00 0.00 C ATOM 1096 C TYR A 76 -10.124 6.488 4.518 1.00 0.00 C ATOM 1097 O TYR A 76 -10.154 7.543 3.936 1.00 0.00 O ATOM 1098 CB TYR A 76 -11.064 4.739 3.001 1.00 0.00 C ATOM 1099 CG TYR A 76 -11.213 5.605 1.770 1.00 0.00 C ATOM 1100 CD1 TYR A 76 -10.117 5.806 0.921 1.00 0.00 C ATOM 1101 CD2 TYR A 76 -12.442 6.210 1.482 1.00 0.00 C ATOM 1102 CE1 TYR A 76 -10.250 6.612 -0.219 1.00 0.00 C ATOM 1103 CE2 TYR A 76 -12.575 7.016 0.344 1.00 0.00 C ATOM 1104 CZ TYR A 76 -11.480 7.216 -0.506 1.00 0.00 C ATOM 1105 OH TYR A 76 -11.613 8.010 -1.627 1.00 0.00 O ATOM 0 H TYR A 76 -10.100 3.416 4.928 1.00 0.00 H new ATOM 0 HA TYR A 76 -9.012 5.336 3.058 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -10.972 3.691 2.716 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -11.950 4.822 3.630 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.169 5.340 1.145 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -13.287 6.056 2.137 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -9.405 6.766 -0.874 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -13.523 7.484 0.122 1.00 0.00 H new ATOM 0 HH TYR A 76 -12.530 8.351 -1.679 1.00 0.00 H new ATOM 1115 N GLY A 77 -10.342 6.415 5.809 1.00 0.00 N ATOM 1116 CA GLY A 77 -10.622 7.647 6.598 1.00 0.00 C ATOM 1117 C GLY A 77 -9.411 8.568 6.539 1.00 0.00 C ATOM 1118 O GLY A 77 -9.490 9.694 6.088 1.00 0.00 O ATOM 0 H GLY A 77 -10.337 5.550 6.349 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.500 8.156 6.200 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.846 7.387 7.633 1.00 0.00 H new ATOM 1122 N LYS A 78 -8.286 8.097 7.001 1.00 0.00 N ATOM 1123 CA LYS A 78 -7.064 8.950 6.980 1.00 0.00 C ATOM 1124 C LYS A 78 -6.675 9.239 5.536 1.00 0.00 C ATOM 1125 O LYS A 78 -5.891 10.117 5.264 1.00 0.00 O ATOM 1126 CB LYS A 78 -5.917 8.243 7.711 1.00 0.00 C ATOM 1127 CG LYS A 78 -6.452 7.498 8.947 1.00 0.00 C ATOM 1128 CD LYS A 78 -7.546 8.322 9.646 1.00 0.00 C ATOM 1129 CE LYS A 78 -7.465 8.106 11.157 1.00 0.00 C ATOM 1130 NZ LYS A 78 -8.126 9.243 11.857 1.00 0.00 N ATOM 0 H LYS A 78 -8.160 7.163 7.391 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.269 9.891 7.490 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.426 7.540 7.038 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.165 8.972 8.014 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.854 6.530 8.649 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.636 7.304 9.643 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.423 9.380 9.413 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.529 8.026 9.278 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.949 7.168 11.427 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.423 8.029 11.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -8.071 9.097 12.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.645 10.131 11.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.123 9.296 11.568 1.00 0.00 H new ATOM 1144 N PHE A 79 -7.223 8.511 4.608 1.00 0.00 N ATOM 1145 CA PHE A 79 -6.910 8.756 3.186 1.00 0.00 C ATOM 1146 C PHE A 79 -7.752 9.927 2.702 1.00 0.00 C ATOM 1147 O PHE A 79 -7.300 10.747 1.944 1.00 0.00 O ATOM 1148 CB PHE A 79 -7.255 7.505 2.393 1.00 0.00 C ATOM 1149 CG PHE A 79 -7.091 7.733 0.904 1.00 0.00 C ATOM 1150 CD1 PHE A 79 -8.046 8.482 0.198 1.00 0.00 C ATOM 1151 CD2 PHE A 79 -6.001 7.173 0.220 1.00 0.00 C ATOM 1152 CE1 PHE A 79 -7.909 8.665 -1.186 1.00 0.00 C ATOM 1153 CE2 PHE A 79 -5.874 7.361 -1.154 1.00 0.00 C ATOM 1154 CZ PHE A 79 -6.822 8.099 -1.857 1.00 0.00 C ATOM 0 H PHE A 79 -7.880 7.750 4.781 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.853 8.989 3.054 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -6.613 6.683 2.710 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -8.282 7.208 2.607 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -8.885 8.917 0.720 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -5.262 6.597 0.758 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -8.642 9.242 -1.731 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -5.033 6.931 -1.678 1.00 0.00 H new ATOM 0 HZ PHE A 79 -6.717 8.234 -2.923 1.00 0.00 H new ATOM 1164 N LYS A 80 -8.967 10.023 3.153 1.00 0.00 N ATOM 1165 CA LYS A 80 -9.820 11.150 2.740 1.00 0.00 C ATOM 1166 C LYS A 80 -9.419 12.388 3.542 1.00 0.00 C ATOM 1167 O LYS A 80 -9.862 13.487 3.276 1.00 0.00 O ATOM 1168 CB LYS A 80 -11.284 10.811 3.016 1.00 0.00 C ATOM 1169 CG LYS A 80 -11.859 10.038 1.828 1.00 0.00 C ATOM 1170 CD LYS A 80 -13.111 10.752 1.311 1.00 0.00 C ATOM 1171 CE LYS A 80 -12.708 12.067 0.640 1.00 0.00 C ATOM 1172 NZ LYS A 80 -13.812 12.532 -0.246 1.00 0.00 N ATOM 0 H LYS A 80 -9.403 9.361 3.795 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.694 11.342 1.674 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -11.366 10.216 3.925 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -11.856 11.724 3.181 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -11.116 9.965 1.034 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -12.106 9.020 2.128 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -13.638 10.115 0.600 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -13.798 10.947 2.135 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -12.492 12.822 1.396 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -11.796 11.927 0.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -13.538 13.426 -0.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -13.998 11.814 -0.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -14.672 12.681 0.320 1.00 0.00 H new ATOM 1186 N GLU A 81 -8.568 12.214 4.518 1.00 0.00 N ATOM 1187 CA GLU A 81 -8.120 13.378 5.333 1.00 0.00 C ATOM 1188 C GLU A 81 -6.791 13.860 4.767 1.00 0.00 C ATOM 1189 O GLU A 81 -6.532 15.041 4.653 1.00 0.00 O ATOM 1190 CB GLU A 81 -7.936 12.954 6.794 1.00 0.00 C ATOM 1191 CG GLU A 81 -9.152 12.145 7.254 1.00 0.00 C ATOM 1192 CD GLU A 81 -9.943 12.951 8.285 1.00 0.00 C ATOM 1193 OE1 GLU A 81 -9.585 12.898 9.450 1.00 0.00 O ATOM 1194 OE2 GLU A 81 -10.892 13.608 7.892 1.00 0.00 O ATOM 0 H GLU A 81 -8.165 11.316 4.785 1.00 0.00 H new ATOM 0 HA GLU A 81 -8.863 14.174 5.296 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -7.030 12.357 6.898 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -7.813 13.834 7.425 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -9.786 11.905 6.400 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -8.829 11.198 7.687 1.00 0.00 H new ATOM 1201 N GLY A 82 -5.959 12.934 4.390 1.00 0.00 N ATOM 1202 CA GLY A 82 -4.643 13.296 3.796 1.00 0.00 C ATOM 1203 C GLY A 82 -4.906 13.936 2.437 1.00 0.00 C ATOM 1204 O GLY A 82 -4.277 14.900 2.052 1.00 0.00 O ATOM 0 H GLY A 82 -6.135 11.932 4.468 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -4.107 13.987 4.447 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.017 12.411 3.687 1.00 0.00 H new ATOM 1208 N VAL A 83 -5.849 13.399 1.715 1.00 0.00 N ATOM 1209 CA VAL A 83 -6.189 13.962 0.376 1.00 0.00 C ATOM 1210 C VAL A 83 -6.706 15.398 0.533 1.00 0.00 C ATOM 1211 O VAL A 83 -6.419 16.262 -0.270 1.00 0.00 O ATOM 1212 CB VAL A 83 -7.289 13.107 -0.266 1.00 0.00 C ATOM 1213 CG1 VAL A 83 -7.682 13.690 -1.627 1.00 0.00 C ATOM 1214 CG2 VAL A 83 -6.785 11.677 -0.457 1.00 0.00 C ATOM 0 H VAL A 83 -6.403 12.590 1.995 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.298 13.961 -0.251 1.00 0.00 H new ATOM 0 HB VAL A 83 -8.160 13.105 0.390 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -8.463 13.076 -2.074 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.051 14.707 -1.494 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.811 13.703 -2.282 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.569 11.073 -0.913 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.909 11.684 -1.105 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.517 11.253 0.511 1.00 0.00 H new ATOM 1224 N ALA A 84 -7.487 15.651 1.548 1.00 0.00 N ATOM 1225 CA ALA A 84 -8.045 17.023 1.737 1.00 0.00 C ATOM 1226 C ALA A 84 -7.123 17.878 2.615 1.00 0.00 C ATOM 1227 O ALA A 84 -7.378 19.047 2.828 1.00 0.00 O ATOM 1228 CB ALA A 84 -9.413 16.914 2.410 1.00 0.00 C ATOM 0 H ALA A 84 -7.763 14.969 2.254 1.00 0.00 H new ATOM 0 HA ALA A 84 -8.133 17.500 0.761 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.829 17.911 2.552 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.083 16.328 1.780 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -9.304 16.425 3.378 1.00 0.00 H new ATOM 1234 N SER A 85 -6.065 17.319 3.132 1.00 0.00 N ATOM 1235 CA SER A 85 -5.158 18.126 3.999 1.00 0.00 C ATOM 1236 C SER A 85 -3.886 18.493 3.231 1.00 0.00 C ATOM 1237 O SER A 85 -3.179 19.414 3.590 1.00 0.00 O ATOM 1238 CB SER A 85 -4.788 17.315 5.240 1.00 0.00 C ATOM 1239 OG SER A 85 -4.160 18.168 6.188 1.00 0.00 O ATOM 0 H SER A 85 -5.789 16.347 2.994 1.00 0.00 H new ATOM 0 HA SER A 85 -5.670 19.041 4.297 1.00 0.00 H new ATOM 0 HB2 SER A 85 -5.681 16.865 5.674 1.00 0.00 H new ATOM 0 HB3 SER A 85 -4.119 16.498 4.969 1.00 0.00 H new ATOM 0 HG SER A 85 -3.923 17.651 6.986 1.00 0.00 H new ATOM 1245 N GLY A 86 -3.582 17.784 2.180 1.00 0.00 N ATOM 1246 CA GLY A 86 -2.352 18.099 1.401 1.00 0.00 C ATOM 1247 C GLY A 86 -1.130 17.517 2.117 1.00 0.00 C ATOM 1248 O GLY A 86 -0.010 17.928 1.886 1.00 0.00 O ATOM 0 H GLY A 86 -4.132 17.001 1.827 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -2.429 17.684 0.396 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.244 19.178 1.293 1.00 0.00 H new ATOM 1252 N ASN A 87 -1.333 16.564 2.988 1.00 0.00 N ATOM 1253 CA ASN A 87 -0.183 15.963 3.719 1.00 0.00 C ATOM 1254 C ASN A 87 -0.562 14.557 4.189 1.00 0.00 C ATOM 1255 O ASN A 87 -0.780 14.322 5.362 1.00 0.00 O ATOM 1256 CB ASN A 87 0.164 16.833 4.930 1.00 0.00 C ATOM 1257 CG ASN A 87 0.873 18.106 4.460 1.00 0.00 C ATOM 1258 OD1 ASN A 87 2.047 18.080 4.146 1.00 0.00 O ATOM 1259 ND2 ASN A 87 0.207 19.226 4.399 1.00 0.00 N ATOM 0 H ASN A 87 -2.247 16.177 3.224 1.00 0.00 H new ATOM 0 HA ASN A 87 0.681 15.905 3.057 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -0.743 17.090 5.478 1.00 0.00 H new ATOM 0 HB3 ASN A 87 0.805 16.280 5.617 1.00 0.00 H new ATOM 0 HD21 ASN A 87 0.671 20.079 4.088 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -0.778 19.249 4.662 1.00 0.00 H new ATOM 1266 N LEU A 88 -0.642 13.621 3.283 1.00 0.00 N ATOM 1267 CA LEU A 88 -1.007 12.229 3.673 1.00 0.00 C ATOM 1268 C LEU A 88 0.192 11.549 4.328 1.00 0.00 C ATOM 1269 O LEU A 88 1.170 11.249 3.683 1.00 0.00 O ATOM 1270 CB LEU A 88 -1.419 11.441 2.430 1.00 0.00 C ATOM 1271 CG LEU A 88 -2.551 10.481 2.793 1.00 0.00 C ATOM 1272 CD1 LEU A 88 -3.762 10.755 1.900 1.00 0.00 C ATOM 1273 CD2 LEU A 88 -2.083 9.038 2.584 1.00 0.00 C ATOM 0 H LEU A 88 -0.470 13.760 2.287 1.00 0.00 H new ATOM 0 HA LEU A 88 -1.838 12.259 4.378 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.743 12.123 1.644 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.567 10.885 2.039 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.828 10.628 3.837 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.568 10.069 2.160 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.097 11.782 2.046 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.485 10.609 0.856 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.890 8.353 2.843 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.805 8.893 1.540 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.220 8.839 3.220 1.00 0.00 H new ATOM 1285 N ASN A 89 0.121 11.302 5.605 1.00 0.00 N ATOM 1286 CA ASN A 89 1.257 10.637 6.302 1.00 0.00 C ATOM 1287 C ASN A 89 0.754 10.032 7.612 1.00 0.00 C ATOM 1288 O ASN A 89 0.921 10.604 8.670 1.00 0.00 O ATOM 1289 CB ASN A 89 2.345 11.672 6.604 1.00 0.00 C ATOM 1290 CG ASN A 89 1.746 12.819 7.420 1.00 0.00 C ATOM 1291 OD1 ASN A 89 0.911 13.555 6.932 1.00 0.00 O ATOM 1292 ND2 ASN A 89 2.139 13.004 8.651 1.00 0.00 N ATOM 0 H ASN A 89 -0.676 11.532 6.198 1.00 0.00 H new ATOM 0 HA ASN A 89 1.669 9.852 5.668 1.00 0.00 H new ATOM 0 HB2 ASN A 89 3.161 11.206 7.156 1.00 0.00 H new ATOM 0 HB3 ASN A 89 2.766 12.054 5.674 1.00 0.00 H new ATOM 0 HD21 ASN A 89 1.745 13.766 9.203 1.00 0.00 H new ATOM 0 HD22 ASN A 89 2.840 12.386 9.061 1.00 0.00 H new ATOM 1299 N THR A 90 0.127 8.886 7.556 1.00 0.00 N ATOM 1300 CA THR A 90 -0.385 8.275 8.816 1.00 0.00 C ATOM 1301 C THR A 90 -0.106 6.772 8.827 1.00 0.00 C ATOM 1302 O THR A 90 -0.038 6.133 7.799 1.00 0.00 O ATOM 1303 CB THR A 90 -1.893 8.514 8.921 1.00 0.00 C ATOM 1304 OG1 THR A 90 -2.375 7.950 10.133 1.00 0.00 O ATOM 1305 CG2 THR A 90 -2.601 7.859 7.734 1.00 0.00 C ATOM 0 H THR A 90 -0.051 8.354 6.704 1.00 0.00 H new ATOM 0 HA THR A 90 0.122 8.735 9.664 1.00 0.00 H new ATOM 0 HB THR A 90 -2.093 9.585 8.912 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.340 8.103 10.204 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.675 8.030 7.811 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.230 8.292 6.805 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.404 6.787 7.739 1.00 0.00 H new ATOM 1313 N MET A 91 0.051 6.207 9.993 1.00 0.00 N ATOM 1314 CA MET A 91 0.320 4.746 10.092 1.00 0.00 C ATOM 1315 C MET A 91 -0.591 4.146 11.164 1.00 0.00 C ATOM 1316 O MET A 91 -0.912 4.782 12.148 1.00 0.00 O ATOM 1317 CB MET A 91 1.785 4.521 10.475 1.00 0.00 C ATOM 1318 CG MET A 91 2.087 5.244 11.789 1.00 0.00 C ATOM 1319 SD MET A 91 3.228 4.248 12.777 1.00 0.00 S ATOM 1320 CE MET A 91 4.594 5.434 12.809 1.00 0.00 C ATOM 0 H MET A 91 0.004 6.698 10.886 1.00 0.00 H new ATOM 0 HA MET A 91 0.124 4.267 9.133 1.00 0.00 H new ATOM 0 HB2 MET A 91 1.984 3.455 10.580 1.00 0.00 H new ATOM 0 HB3 MET A 91 2.439 4.891 9.686 1.00 0.00 H new ATOM 0 HG2 MET A 91 2.523 6.222 11.586 1.00 0.00 H new ATOM 0 HG3 MET A 91 1.164 5.415 12.343 1.00 0.00 H new ATOM 0 HE1 MET A 91 5.424 5.017 13.379 1.00 0.00 H new ATOM 0 HE2 MET A 91 4.921 5.640 11.790 1.00 0.00 H new ATOM 0 HE3 MET A 91 4.261 6.360 13.278 1.00 0.00 H new ATOM 1330 N PHE A 92 -1.016 2.928 10.983 1.00 0.00 N ATOM 1331 CA PHE A 92 -1.911 2.295 11.993 1.00 0.00 C ATOM 1332 C PHE A 92 -1.753 0.776 11.950 1.00 0.00 C ATOM 1333 O PHE A 92 -0.944 0.244 11.224 1.00 0.00 O ATOM 1334 CB PHE A 92 -3.369 2.664 11.696 1.00 0.00 C ATOM 1335 CG PHE A 92 -3.678 2.475 10.224 1.00 0.00 C ATOM 1336 CD1 PHE A 92 -3.453 3.521 9.321 1.00 0.00 C ATOM 1337 CD2 PHE A 92 -4.213 1.265 9.765 1.00 0.00 C ATOM 1338 CE1 PHE A 92 -3.758 3.355 7.963 1.00 0.00 C ATOM 1339 CE2 PHE A 92 -4.523 1.102 8.409 1.00 0.00 C ATOM 1340 CZ PHE A 92 -4.296 2.146 7.508 1.00 0.00 C ATOM 0 H PHE A 92 -0.783 2.343 10.181 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.639 2.657 12.984 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -4.036 2.044 12.296 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -3.553 3.700 11.982 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -3.044 4.457 9.671 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.387 0.455 10.458 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -3.578 4.161 7.267 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.938 0.168 8.059 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.535 2.020 6.462 1.00 0.00 H new ATOM 1350 N GLU A 93 -2.531 0.072 12.719 1.00 0.00 N ATOM 1351 CA GLU A 93 -2.439 -1.414 12.704 1.00 0.00 C ATOM 1352 C GLU A 93 -3.715 -1.955 12.065 1.00 0.00 C ATOM 1353 O GLU A 93 -4.803 -1.764 12.571 1.00 0.00 O ATOM 1354 CB GLU A 93 -2.296 -1.949 14.132 1.00 0.00 C ATOM 1355 CG GLU A 93 -3.464 -1.457 14.990 1.00 0.00 C ATOM 1356 CD GLU A 93 -4.275 -2.656 15.484 1.00 0.00 C ATOM 1357 OE1 GLU A 93 -3.917 -3.205 16.513 1.00 0.00 O ATOM 1358 OE2 GLU A 93 -5.240 -3.006 14.823 1.00 0.00 O ATOM 0 H GLU A 93 -3.226 0.459 13.357 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.566 -1.733 12.135 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.275 -3.039 14.121 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -1.351 -1.616 14.562 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -3.090 -0.883 15.838 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -4.100 -0.789 14.409 1.00 0.00 H new ATOM 1365 N TYR A 94 -3.599 -2.601 10.939 1.00 0.00 N ATOM 1366 CA TYR A 94 -4.816 -3.115 10.262 1.00 0.00 C ATOM 1367 C TYR A 94 -4.759 -4.636 10.163 1.00 0.00 C ATOM 1368 O TYR A 94 -3.795 -5.264 10.552 1.00 0.00 O ATOM 1369 CB TYR A 94 -4.886 -2.508 8.862 1.00 0.00 C ATOM 1370 CG TYR A 94 -6.289 -2.033 8.582 1.00 0.00 C ATOM 1371 CD1 TYR A 94 -6.856 -1.030 9.374 1.00 0.00 C ATOM 1372 CD2 TYR A 94 -7.018 -2.590 7.527 1.00 0.00 C ATOM 1373 CE1 TYR A 94 -8.154 -0.583 9.112 1.00 0.00 C ATOM 1374 CE2 TYR A 94 -8.317 -2.145 7.262 1.00 0.00 C ATOM 1375 CZ TYR A 94 -8.887 -1.139 8.055 1.00 0.00 C ATOM 1376 OH TYR A 94 -10.167 -0.695 7.799 1.00 0.00 O ATOM 0 H TYR A 94 -2.718 -2.793 10.462 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.701 -2.838 10.835 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.187 -1.675 8.781 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -4.588 -3.248 8.119 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -6.291 -0.601 10.188 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -6.578 -3.364 6.916 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -8.592 0.191 9.724 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -8.880 -2.576 6.447 1.00 0.00 H new ATOM 0 HH TYR A 94 -10.309 -0.646 6.831 1.00 0.00 H new ATOM 1386 N THR A 95 -5.794 -5.230 9.644 1.00 0.00 N ATOM 1387 CA THR A 95 -5.821 -6.709 9.512 1.00 0.00 C ATOM 1388 C THR A 95 -6.562 -7.080 8.230 1.00 0.00 C ATOM 1389 O THR A 95 -7.764 -6.933 8.130 1.00 0.00 O ATOM 1390 CB THR A 95 -6.546 -7.316 10.715 1.00 0.00 C ATOM 1391 OG1 THR A 95 -5.840 -6.992 11.905 1.00 0.00 O ATOM 1392 CG2 THR A 95 -6.616 -8.835 10.558 1.00 0.00 C ATOM 0 H THR A 95 -6.628 -4.751 9.304 1.00 0.00 H new ATOM 0 HA THR A 95 -4.802 -7.095 9.474 1.00 0.00 H new ATOM 0 HB THR A 95 -7.557 -6.913 10.771 1.00 0.00 H new ATOM 0 HG1 THR A 95 -6.304 -7.379 12.676 1.00 0.00 H new ATOM 0 HG21 THR A 95 -7.133 -9.266 11.416 1.00 0.00 H new ATOM 0 HG22 THR A 95 -7.159 -9.082 9.646 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.606 -9.242 10.501 1.00 0.00 H new ATOM 1400 N PHE A 96 -5.858 -7.565 7.247 1.00 0.00 N ATOM 1401 CA PHE A 96 -6.531 -7.947 5.973 1.00 0.00 C ATOM 1402 C PHE A 96 -7.116 -9.350 6.122 1.00 0.00 C ATOM 1403 O PHE A 96 -6.408 -10.303 6.375 1.00 0.00 O ATOM 1404 CB PHE A 96 -5.516 -7.930 4.820 1.00 0.00 C ATOM 1405 CG PHE A 96 -4.934 -6.538 4.627 1.00 0.00 C ATOM 1406 CD1 PHE A 96 -5.604 -5.396 5.106 1.00 0.00 C ATOM 1407 CD2 PHE A 96 -3.711 -6.391 3.959 1.00 0.00 C ATOM 1408 CE1 PHE A 96 -5.050 -4.124 4.916 1.00 0.00 C ATOM 1409 CE2 PHE A 96 -3.160 -5.116 3.771 1.00 0.00 C ATOM 1410 CZ PHE A 96 -3.830 -3.984 4.250 1.00 0.00 C ATOM 0 H PHE A 96 -4.849 -7.714 7.269 1.00 0.00 H new ATOM 0 HA PHE A 96 -7.327 -7.236 5.753 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -4.714 -8.638 5.027 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -6.000 -8.257 3.900 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -6.547 -5.501 5.621 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -3.192 -7.262 3.588 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -5.567 -3.250 5.285 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -2.217 -5.007 3.256 1.00 0.00 H new ATOM 0 HZ PHE A 96 -3.404 -3.002 4.105 1.00 0.00 H new ATOM 1420 N ASP A 97 -8.405 -9.490 5.978 1.00 0.00 N ATOM 1421 CA ASP A 97 -9.016 -10.837 6.126 1.00 0.00 C ATOM 1422 C ASP A 97 -10.254 -10.958 5.241 1.00 0.00 C ATOM 1423 O ASP A 97 -11.287 -11.435 5.666 1.00 0.00 O ATOM 1424 CB ASP A 97 -9.411 -11.058 7.588 1.00 0.00 C ATOM 1425 CG ASP A 97 -9.613 -12.553 7.844 1.00 0.00 C ATOM 1426 OD1 ASP A 97 -9.971 -13.251 6.910 1.00 0.00 O ATOM 1427 OD2 ASP A 97 -9.408 -12.974 8.970 1.00 0.00 O ATOM 0 H ASP A 97 -9.056 -8.734 5.766 1.00 0.00 H new ATOM 0 HA ASP A 97 -8.290 -11.590 5.821 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -8.636 -10.667 8.248 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -10.327 -10.513 7.814 1.00 0.00 H new ATOM 1432 N TYR A 98 -10.153 -10.565 4.003 1.00 0.00 N ATOM 1433 CA TYR A 98 -11.319 -10.702 3.092 1.00 0.00 C ATOM 1434 C TYR A 98 -11.365 -12.168 2.663 1.00 0.00 C ATOM 1435 O TYR A 98 -10.334 -12.721 2.362 1.00 0.00 O ATOM 1436 CB TYR A 98 -11.120 -9.797 1.861 1.00 0.00 C ATOM 1437 CG TYR A 98 -9.929 -10.285 1.063 1.00 0.00 C ATOM 1438 CD1 TYR A 98 -10.084 -11.357 0.175 1.00 0.00 C ATOM 1439 CD2 TYR A 98 -8.674 -9.691 1.230 1.00 0.00 C ATOM 1440 CE1 TYR A 98 -8.987 -11.837 -0.542 1.00 0.00 C ATOM 1441 CE2 TYR A 98 -7.571 -10.170 0.505 1.00 0.00 C ATOM 1442 CZ TYR A 98 -7.729 -11.244 -0.379 1.00 0.00 C ATOM 1443 OH TYR A 98 -6.648 -11.716 -1.091 1.00 0.00 O ATOM 0 H TYR A 98 -9.317 -10.157 3.585 1.00 0.00 H new ATOM 0 HA TYR A 98 -12.247 -10.408 3.582 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -12.016 -9.807 1.240 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -10.962 -8.766 2.176 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -11.054 -11.813 0.045 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -8.553 -8.865 1.915 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -9.108 -12.666 -1.223 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -6.602 -9.710 0.629 1.00 0.00 H new ATOM 0 HH TYR A 98 -6.955 -12.082 -1.947 1.00 0.00 H new ATOM 1453 N GLN A 99 -12.541 -12.784 2.656 1.00 0.00 N ATOM 1454 CA GLN A 99 -12.710 -14.247 2.263 1.00 0.00 C ATOM 1455 C GLN A 99 -11.363 -14.926 1.968 1.00 0.00 C ATOM 1456 O GLN A 99 -11.076 -15.309 0.852 1.00 0.00 O ATOM 1457 CB GLN A 99 -13.599 -14.331 1.022 1.00 0.00 C ATOM 1458 CG GLN A 99 -13.032 -13.431 -0.076 1.00 0.00 C ATOM 1459 CD GLN A 99 -13.650 -13.818 -1.419 1.00 0.00 C ATOM 1460 OE1 GLN A 99 -14.345 -14.810 -1.520 1.00 0.00 O ATOM 1461 NE2 GLN A 99 -13.424 -13.071 -2.465 1.00 0.00 N ATOM 0 H GLN A 99 -13.415 -12.324 2.912 1.00 0.00 H new ATOM 0 HA GLN A 99 -13.167 -14.769 3.104 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -13.653 -15.361 0.670 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -14.615 -14.025 1.269 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -13.247 -12.386 0.148 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -11.948 -13.531 -0.120 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -12.841 -12.238 -2.381 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -13.831 -13.320 -3.367 1.00 0.00 H new ATOM 1470 N MET A 100 -10.526 -15.029 2.964 1.00 0.00 N ATOM 1471 CA MET A 100 -9.178 -15.626 2.764 1.00 0.00 C ATOM 1472 C MET A 100 -8.504 -15.772 4.131 1.00 0.00 C ATOM 1473 O MET A 100 -9.034 -15.346 5.138 1.00 0.00 O ATOM 1474 CB MET A 100 -8.341 -14.679 1.889 1.00 0.00 C ATOM 1475 CG MET A 100 -7.242 -15.470 1.173 1.00 0.00 C ATOM 1476 SD MET A 100 -5.621 -15.017 1.848 1.00 0.00 S ATOM 1477 CE MET A 100 -5.664 -13.266 1.399 1.00 0.00 C ATOM 0 H MET A 100 -10.722 -14.722 3.917 1.00 0.00 H new ATOM 0 HA MET A 100 -9.261 -16.599 2.280 1.00 0.00 H new ATOM 0 HB2 MET A 100 -8.980 -14.184 1.158 1.00 0.00 H new ATOM 0 HB3 MET A 100 -7.897 -13.897 2.505 1.00 0.00 H new ATOM 0 HG2 MET A 100 -7.412 -16.540 1.297 1.00 0.00 H new ATOM 0 HG3 MET A 100 -7.271 -15.264 0.103 1.00 0.00 H new ATOM 0 HE1 MET A 100 -4.813 -12.754 1.849 1.00 0.00 H new ATOM 0 HE2 MET A 100 -5.615 -13.167 0.315 1.00 0.00 H new ATOM 0 HE3 MET A 100 -6.590 -12.820 1.763 1.00 0.00 H new ATOM 1487 N THR A 101 -7.338 -16.358 4.182 1.00 0.00 N ATOM 1488 CA THR A 101 -6.642 -16.510 5.494 1.00 0.00 C ATOM 1489 C THR A 101 -6.544 -15.134 6.178 1.00 0.00 C ATOM 1490 O THR A 101 -6.696 -14.120 5.527 1.00 0.00 O ATOM 1491 CB THR A 101 -5.233 -17.069 5.271 1.00 0.00 C ATOM 1492 OG1 THR A 101 -4.826 -16.814 3.933 1.00 0.00 O ATOM 1493 CG2 THR A 101 -5.237 -18.577 5.528 1.00 0.00 C ATOM 0 H THR A 101 -6.839 -16.736 3.377 1.00 0.00 H new ATOM 0 HA THR A 101 -7.205 -17.197 6.126 1.00 0.00 H new ATOM 0 HB THR A 101 -4.538 -16.586 5.957 1.00 0.00 H new ATOM 0 HG1 THR A 101 -5.042 -15.888 3.696 1.00 0.00 H new ATOM 0 HG21 THR A 101 -4.235 -18.976 5.370 1.00 0.00 H new ATOM 0 HG22 THR A 101 -5.546 -18.770 6.555 1.00 0.00 H new ATOM 0 HG23 THR A 101 -5.933 -19.061 4.843 1.00 0.00 H new ATOM 1501 N PRO A 102 -6.295 -15.133 7.471 1.00 0.00 N ATOM 1502 CA PRO A 102 -6.181 -13.883 8.245 1.00 0.00 C ATOM 1503 C PRO A 102 -4.820 -13.229 7.995 1.00 0.00 C ATOM 1504 O PRO A 102 -3.852 -13.892 7.678 1.00 0.00 O ATOM 1505 CB PRO A 102 -6.315 -14.343 9.700 1.00 0.00 C ATOM 1506 CG PRO A 102 -5.936 -15.842 9.721 1.00 0.00 C ATOM 1507 CD PRO A 102 -6.103 -16.360 8.279 1.00 0.00 C ATOM 0 HA PRO A 102 -6.930 -13.138 7.975 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -5.658 -13.767 10.351 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -7.332 -14.195 10.062 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -4.911 -15.977 10.065 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -6.578 -16.394 10.408 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -5.226 -16.918 7.953 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -6.958 -17.031 8.193 1.00 0.00 H new ATOM 1515 N THR A 103 -4.738 -11.932 8.127 1.00 0.00 N ATOM 1516 CA THR A 103 -3.439 -11.247 7.883 1.00 0.00 C ATOM 1517 C THR A 103 -3.307 -10.020 8.789 1.00 0.00 C ATOM 1518 O THR A 103 -4.149 -9.145 8.797 1.00 0.00 O ATOM 1519 CB THR A 103 -3.368 -10.805 6.413 1.00 0.00 C ATOM 1520 OG1 THR A 103 -3.341 -11.954 5.577 1.00 0.00 O ATOM 1521 CG2 THR A 103 -2.104 -9.963 6.163 1.00 0.00 C ATOM 0 H THR A 103 -5.511 -11.321 8.392 1.00 0.00 H new ATOM 0 HA THR A 103 -2.626 -11.938 8.104 1.00 0.00 H new ATOM 0 HB THR A 103 -4.245 -10.199 6.186 1.00 0.00 H new ATOM 0 HG1 THR A 103 -3.297 -11.675 4.639 1.00 0.00 H new ATOM 0 HG21 THR A 103 -2.070 -9.659 5.117 1.00 0.00 H new ATOM 0 HG22 THR A 103 -2.125 -9.077 6.798 1.00 0.00 H new ATOM 0 HG23 THR A 103 -1.220 -10.556 6.397 1.00 0.00 H new ATOM 1529 N LYS A 104 -2.225 -9.929 9.508 1.00 0.00 N ATOM 1530 CA LYS A 104 -1.992 -8.737 10.368 1.00 0.00 C ATOM 1531 C LYS A 104 -0.843 -7.960 9.738 1.00 0.00 C ATOM 1532 O LYS A 104 0.119 -8.548 9.292 1.00 0.00 O ATOM 1533 CB LYS A 104 -1.595 -9.165 11.785 1.00 0.00 C ATOM 1534 CG LYS A 104 -1.819 -7.997 12.751 1.00 0.00 C ATOM 1535 CD LYS A 104 -2.587 -8.483 13.982 1.00 0.00 C ATOM 1536 CE LYS A 104 -3.326 -7.303 14.620 1.00 0.00 C ATOM 1537 NZ LYS A 104 -4.497 -7.806 15.392 1.00 0.00 N ATOM 0 H LYS A 104 -1.488 -10.633 9.537 1.00 0.00 H new ATOM 0 HA LYS A 104 -2.897 -8.134 10.439 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -2.186 -10.027 12.096 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -0.549 -9.472 11.804 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -0.861 -7.573 13.052 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.376 -7.203 12.253 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -3.297 -9.260 13.698 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -1.899 -8.927 14.701 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -2.653 -6.752 15.278 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -3.657 -6.608 13.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -4.998 -7.004 15.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -5.142 -8.313 14.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -4.169 -8.453 16.138 1.00 0.00 H new ATOM 1551 N VAL A 105 -0.927 -6.661 9.663 1.00 0.00 N ATOM 1552 CA VAL A 105 0.185 -5.910 9.019 1.00 0.00 C ATOM 1553 C VAL A 105 0.328 -4.510 9.607 1.00 0.00 C ATOM 1554 O VAL A 105 -0.644 -3.819 9.840 1.00 0.00 O ATOM 1555 CB VAL A 105 -0.106 -5.755 7.522 1.00 0.00 C ATOM 1556 CG1 VAL A 105 -0.345 -7.131 6.900 1.00 0.00 C ATOM 1557 CG2 VAL A 105 -1.355 -4.881 7.306 1.00 0.00 C ATOM 0 H VAL A 105 -1.701 -6.096 10.012 1.00 0.00 H new ATOM 0 HA VAL A 105 1.104 -6.471 9.192 1.00 0.00 H new ATOM 0 HB VAL A 105 0.752 -5.277 7.048 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.552 -7.018 5.836 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.542 -7.750 7.034 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -1.196 -7.607 7.386 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.548 -4.780 6.238 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.214 -5.348 7.788 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -1.188 -3.895 7.739 1.00 0.00 H new ATOM 1567 N LYS A 106 1.536 -4.047 9.746 1.00 0.00 N ATOM 1568 CA LYS A 106 1.721 -2.650 10.193 1.00 0.00 C ATOM 1569 C LYS A 106 1.570 -1.868 8.901 1.00 0.00 C ATOM 1570 O LYS A 106 2.197 -2.192 7.924 1.00 0.00 O ATOM 1571 CB LYS A 106 3.107 -2.433 10.817 1.00 0.00 C ATOM 1572 CG LYS A 106 4.185 -3.099 9.961 1.00 0.00 C ATOM 1573 CD LYS A 106 4.517 -4.476 10.542 1.00 0.00 C ATOM 1574 CE LYS A 106 6.036 -4.656 10.596 1.00 0.00 C ATOM 1575 NZ LYS A 106 6.596 -3.826 11.700 1.00 0.00 N ATOM 0 H LYS A 106 2.393 -4.572 9.571 1.00 0.00 H new ATOM 0 HA LYS A 106 1.017 -2.350 10.969 1.00 0.00 H new ATOM 0 HB2 LYS A 106 3.311 -1.366 10.905 1.00 0.00 H new ATOM 0 HB3 LYS A 106 3.128 -2.845 11.826 1.00 0.00 H new ATOM 0 HG2 LYS A 106 3.838 -3.200 8.933 1.00 0.00 H new ATOM 0 HG3 LYS A 106 5.080 -2.477 9.935 1.00 0.00 H new ATOM 0 HD2 LYS A 106 4.093 -4.572 11.542 1.00 0.00 H new ATOM 0 HD3 LYS A 106 4.069 -5.258 9.929 1.00 0.00 H new ATOM 0 HE2 LYS A 106 6.283 -5.706 10.755 1.00 0.00 H new ATOM 0 HE3 LYS A 106 6.482 -4.364 9.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 7.550 -4.165 11.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 6.647 -2.833 11.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 5.982 -3.901 12.536 1.00 0.00 H new ATOM 1589 N VAL A 107 0.683 -0.930 8.839 1.00 0.00 N ATOM 1590 CA VAL A 107 0.449 -0.238 7.539 1.00 0.00 C ATOM 1591 C VAL A 107 0.985 1.194 7.555 1.00 0.00 C ATOM 1592 O VAL A 107 1.038 1.844 8.581 1.00 0.00 O ATOM 1593 CB VAL A 107 -1.057 -0.181 7.317 1.00 0.00 C ATOM 1594 CG1 VAL A 107 -1.632 -1.585 7.274 1.00 0.00 C ATOM 1595 CG2 VAL A 107 -1.679 0.576 8.483 1.00 0.00 C ATOM 0 H VAL A 107 0.110 -0.608 9.619 1.00 0.00 H new ATOM 0 HA VAL A 107 0.965 -0.785 6.749 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.273 0.317 6.372 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.709 -1.532 7.115 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.171 -2.142 6.458 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.429 -2.090 8.218 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -2.759 0.630 8.347 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.456 0.056 9.415 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.267 1.584 8.523 1.00 0.00 H new ATOM 1605 N HIS A 108 1.353 1.692 6.410 1.00 0.00 N ATOM 1606 CA HIS A 108 1.855 3.096 6.333 1.00 0.00 C ATOM 1607 C HIS A 108 1.342 3.725 5.043 1.00 0.00 C ATOM 1608 O HIS A 108 1.774 3.385 3.967 1.00 0.00 O ATOM 1609 CB HIS A 108 3.383 3.115 6.336 1.00 0.00 C ATOM 1610 CG HIS A 108 3.852 4.543 6.259 1.00 0.00 C ATOM 1611 ND1 HIS A 108 5.081 4.894 5.725 1.00 0.00 N ATOM 1612 CD2 HIS A 108 3.260 5.719 6.642 1.00 0.00 C ATOM 1613 CE1 HIS A 108 5.190 6.232 5.802 1.00 0.00 C ATOM 1614 NE2 HIS A 108 4.105 6.786 6.355 1.00 0.00 N ATOM 0 H HIS A 108 1.329 1.190 5.522 1.00 0.00 H new ATOM 0 HA HIS A 108 1.499 3.657 7.197 1.00 0.00 H new ATOM 0 HB2 HIS A 108 3.764 2.641 7.241 1.00 0.00 H new ATOM 0 HB3 HIS A 108 3.769 2.545 5.491 1.00 0.00 H new ATOM 0 HD2 HIS A 108 2.285 5.804 7.098 1.00 0.00 H new ATOM 0 HE1 HIS A 108 6.048 6.791 5.459 1.00 0.00 H new ATOM 0 HE2 HIS A 108 3.934 7.777 6.529 1.00 0.00 H new ATOM 1622 N MET A 109 0.418 4.633 5.131 1.00 0.00 N ATOM 1623 CA MET A 109 -0.115 5.250 3.887 1.00 0.00 C ATOM 1624 C MET A 109 0.424 6.677 3.754 1.00 0.00 C ATOM 1625 O MET A 109 0.252 7.480 4.650 1.00 0.00 O ATOM 1626 CB MET A 109 -1.647 5.278 3.958 1.00 0.00 C ATOM 1627 CG MET A 109 -2.171 3.961 4.551 1.00 0.00 C ATOM 1628 SD MET A 109 -3.977 3.934 4.446 1.00 0.00 S ATOM 1629 CE MET A 109 -4.271 5.498 5.306 1.00 0.00 C ATOM 0 H MET A 109 0.010 4.974 6.001 1.00 0.00 H new ATOM 0 HA MET A 109 0.199 4.667 3.021 1.00 0.00 H new ATOM 0 HB2 MET A 109 -1.975 6.118 4.570 1.00 0.00 H new ATOM 0 HB3 MET A 109 -2.063 5.428 2.962 1.00 0.00 H new ATOM 0 HG2 MET A 109 -1.751 3.113 4.010 1.00 0.00 H new ATOM 0 HG3 MET A 109 -1.854 3.865 5.590 1.00 0.00 H new ATOM 0 HE1 MET A 109 -5.185 5.423 5.895 1.00 0.00 H new ATOM 0 HE2 MET A 109 -3.431 5.714 5.966 1.00 0.00 H new ATOM 0 HE3 MET A 109 -4.374 6.301 4.576 1.00 0.00 H new ATOM 1639 N LYS A 110 1.080 7.020 2.662 1.00 0.00 N ATOM 1640 CA LYS A 110 1.601 8.419 2.564 1.00 0.00 C ATOM 1641 C LYS A 110 1.111 9.073 1.271 1.00 0.00 C ATOM 1642 O LYS A 110 0.204 8.589 0.624 1.00 0.00 O ATOM 1643 CB LYS A 110 3.131 8.390 2.592 1.00 0.00 C ATOM 1644 CG LYS A 110 3.674 9.568 3.406 1.00 0.00 C ATOM 1645 CD LYS A 110 5.119 9.855 2.990 1.00 0.00 C ATOM 1646 CE LYS A 110 6.026 9.837 4.223 1.00 0.00 C ATOM 1647 NZ LYS A 110 6.479 11.224 4.526 1.00 0.00 N ATOM 0 H LYS A 110 1.270 6.413 1.864 1.00 0.00 H new ATOM 0 HA LYS A 110 1.234 9.003 3.408 1.00 0.00 H new ATOM 0 HB2 LYS A 110 3.475 7.451 3.026 1.00 0.00 H new ATOM 0 HB3 LYS A 110 3.520 8.433 1.575 1.00 0.00 H new ATOM 0 HG2 LYS A 110 3.056 10.451 3.244 1.00 0.00 H new ATOM 0 HG3 LYS A 110 3.630 9.339 4.471 1.00 0.00 H new ATOM 0 HD2 LYS A 110 5.455 9.109 2.269 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.179 10.825 2.497 1.00 0.00 H new ATOM 0 HE2 LYS A 110 5.489 9.424 5.077 1.00 0.00 H new ATOM 0 HE3 LYS A 110 6.887 9.192 4.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 7.095 11.213 5.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 7.006 11.602 3.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 5.652 11.826 4.713 1.00 0.00 H new ATOM 1661 N LYS A 111 1.695 10.178 0.896 1.00 0.00 N ATOM 1662 CA LYS A 111 1.256 10.870 -0.348 1.00 0.00 C ATOM 1663 C LYS A 111 2.367 10.796 -1.393 1.00 0.00 C ATOM 1664 O LYS A 111 3.261 11.618 -1.422 1.00 0.00 O ATOM 1665 CB LYS A 111 0.952 12.337 -0.035 1.00 0.00 C ATOM 1666 CG LYS A 111 2.140 12.960 0.701 1.00 0.00 C ATOM 1667 CD LYS A 111 2.562 14.249 -0.009 1.00 0.00 C ATOM 1668 CE LYS A 111 4.011 14.579 0.352 1.00 0.00 C ATOM 1669 NZ LYS A 111 4.142 16.043 0.598 1.00 0.00 N ATOM 0 H LYS A 111 2.458 10.632 1.398 1.00 0.00 H new ATOM 0 HA LYS A 111 0.360 10.385 -0.735 1.00 0.00 H new ATOM 0 HB2 LYS A 111 0.755 12.883 -0.958 1.00 0.00 H new ATOM 0 HB3 LYS A 111 0.053 12.410 0.577 1.00 0.00 H new ATOM 0 HG2 LYS A 111 1.869 13.174 1.735 1.00 0.00 H new ATOM 0 HG3 LYS A 111 2.973 12.258 0.728 1.00 0.00 H new ATOM 0 HD2 LYS A 111 2.463 14.132 -1.088 1.00 0.00 H new ATOM 0 HD3 LYS A 111 1.907 15.069 0.284 1.00 0.00 H new ATOM 0 HE2 LYS A 111 4.311 14.022 1.240 1.00 0.00 H new ATOM 0 HE3 LYS A 111 4.676 14.274 -0.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 5.127 16.267 0.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 3.872 16.565 -0.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 3.518 16.320 1.383 1.00 0.00 H new ATOM 1683 N ALA A 112 2.321 9.819 -2.259 1.00 0.00 N ATOM 1684 CA ALA A 112 3.375 9.702 -3.303 1.00 0.00 C ATOM 1685 C ALA A 112 3.494 11.029 -4.060 1.00 0.00 C ATOM 1686 O ALA A 112 2.519 11.560 -4.551 1.00 0.00 O ATOM 1687 CB ALA A 112 2.997 8.599 -4.287 1.00 0.00 C ATOM 0 H ALA A 112 1.599 9.099 -2.287 1.00 0.00 H new ATOM 0 HA ALA A 112 4.327 9.462 -2.829 1.00 0.00 H new ATOM 0 HB1 ALA A 112 3.769 8.513 -5.052 1.00 0.00 H new ATOM 0 HB2 ALA A 112 2.907 7.652 -3.755 1.00 0.00 H new ATOM 0 HB3 ALA A 112 2.045 8.843 -4.758 1.00 0.00 H new ATOM 1693 N LEU A 113 4.675 11.568 -4.161 1.00 0.00 N ATOM 1694 CA LEU A 113 4.837 12.856 -4.891 1.00 0.00 C ATOM 1695 C LEU A 113 5.685 12.633 -6.146 1.00 0.00 C ATOM 1696 O LEU A 113 5.714 13.457 -7.040 1.00 0.00 O ATOM 1697 CB LEU A 113 5.528 13.879 -3.987 1.00 0.00 C ATOM 1698 CG LEU A 113 5.037 15.284 -4.336 1.00 0.00 C ATOM 1699 CD1 LEU A 113 3.816 15.622 -3.478 1.00 0.00 C ATOM 1700 CD2 LEU A 113 6.150 16.298 -4.060 1.00 0.00 C ATOM 0 H LEU A 113 5.532 11.175 -3.772 1.00 0.00 H new ATOM 0 HA LEU A 113 3.854 13.231 -5.177 1.00 0.00 H new ATOM 0 HB2 LEU A 113 5.315 13.658 -2.941 1.00 0.00 H new ATOM 0 HB3 LEU A 113 6.609 13.819 -4.112 1.00 0.00 H new ATOM 0 HG LEU A 113 4.765 15.323 -5.391 1.00 0.00 H new ATOM 0 HD11 LEU A 113 3.464 16.624 -3.725 1.00 0.00 H new ATOM 0 HD12 LEU A 113 3.023 14.900 -3.673 1.00 0.00 H new ATOM 0 HD13 LEU A 113 4.090 15.583 -2.424 1.00 0.00 H new ATOM 0 HD21 LEU A 113 5.800 17.300 -4.309 1.00 0.00 H new ATOM 0 HD22 LEU A 113 6.423 16.261 -3.005 1.00 0.00 H new ATOM 0 HD23 LEU A 113 7.021 16.057 -4.669 1.00 0.00 H new ATOM 1712 N SER A 114 6.377 11.527 -6.224 1.00 0.00 N ATOM 1713 CA SER A 114 7.217 11.260 -7.422 1.00 0.00 C ATOM 1714 C SER A 114 6.360 11.367 -8.686 1.00 0.00 C ATOM 1715 O SER A 114 6.783 11.906 -9.687 1.00 0.00 O ATOM 1716 CB SER A 114 7.811 9.855 -7.326 1.00 0.00 C ATOM 1717 OG SER A 114 6.776 8.894 -7.490 1.00 0.00 O ATOM 0 H SER A 114 6.395 10.799 -5.509 1.00 0.00 H new ATOM 0 HA SER A 114 8.022 11.993 -7.469 1.00 0.00 H new ATOM 0 HB2 SER A 114 8.575 9.718 -8.091 1.00 0.00 H new ATOM 0 HB3 SER A 114 8.299 9.719 -6.361 1.00 0.00 H new ATOM 0 HG SER A 114 7.000 8.083 -6.987 1.00 0.00 H new ATOM 1723 N GLY A 115 5.157 10.863 -8.648 1.00 0.00 N ATOM 1724 CA GLY A 115 4.284 10.948 -9.851 1.00 0.00 C ATOM 1725 C GLY A 115 3.083 10.019 -9.697 1.00 0.00 C ATOM 1726 O GLY A 115 2.659 9.377 -10.637 1.00 0.00 O ATOM 0 H GLY A 115 4.743 10.398 -7.840 1.00 0.00 H new ATOM 0 HA2 GLY A 115 3.944 11.974 -9.991 1.00 0.00 H new ATOM 0 HA3 GLY A 115 4.851 10.676 -10.741 1.00 0.00 H new ATOM 1730 N ASP A 116 2.522 9.947 -8.524 1.00 0.00 N ATOM 1731 CA ASP A 116 1.341 9.066 -8.327 1.00 0.00 C ATOM 1732 C ASP A 116 0.304 9.798 -7.475 1.00 0.00 C ATOM 1733 O ASP A 116 -0.527 10.513 -7.999 1.00 0.00 O ATOM 1734 CB ASP A 116 1.772 7.767 -7.647 1.00 0.00 C ATOM 1735 CG ASP A 116 2.499 6.886 -8.664 1.00 0.00 C ATOM 1736 OD1 ASP A 116 1.826 6.224 -9.435 1.00 0.00 O ATOM 1737 OD2 ASP A 116 3.719 6.888 -8.654 1.00 0.00 O ATOM 0 H ASP A 116 2.829 10.458 -7.696 1.00 0.00 H new ATOM 0 HA ASP A 116 0.899 8.820 -9.293 1.00 0.00 H new ATOM 0 HB2 ASP A 116 2.426 7.984 -6.802 1.00 0.00 H new ATOM 0 HB3 ASP A 116 0.902 7.244 -7.250 1.00 0.00 H new ATOM 1742 N SER A 117 0.347 9.647 -6.169 1.00 0.00 N ATOM 1743 CA SER A 117 -0.646 10.358 -5.296 1.00 0.00 C ATOM 1744 C SER A 117 -0.663 9.772 -3.875 1.00 0.00 C ATOM 1745 O SER A 117 -0.098 10.332 -2.956 1.00 0.00 O ATOM 1746 CB SER A 117 -2.054 10.229 -5.887 1.00 0.00 C ATOM 1747 OG SER A 117 -2.390 11.433 -6.563 1.00 0.00 O ATOM 0 H SER A 117 1.023 9.066 -5.673 1.00 0.00 H new ATOM 0 HA SER A 117 -0.347 11.405 -5.248 1.00 0.00 H new ATOM 0 HB2 SER A 117 -2.096 9.387 -6.577 1.00 0.00 H new ATOM 0 HB3 SER A 117 -2.776 10.029 -5.096 1.00 0.00 H new ATOM 0 HG SER A 117 -1.737 11.602 -7.274 1.00 0.00 H new ATOM 1753 N TYR A 118 -1.351 8.675 -3.681 1.00 0.00 N ATOM 1754 CA TYR A 118 -1.462 8.076 -2.308 1.00 0.00 C ATOM 1755 C TYR A 118 -0.956 6.630 -2.323 1.00 0.00 C ATOM 1756 O TYR A 118 -1.352 5.842 -3.159 1.00 0.00 O ATOM 1757 CB TYR A 118 -2.946 8.068 -1.896 1.00 0.00 C ATOM 1758 CG TYR A 118 -3.599 9.343 -2.332 1.00 0.00 C ATOM 1759 CD1 TYR A 118 -3.388 10.526 -1.621 1.00 0.00 C ATOM 1760 CD2 TYR A 118 -4.409 9.337 -3.465 1.00 0.00 C ATOM 1761 CE1 TYR A 118 -3.994 11.706 -2.049 1.00 0.00 C ATOM 1762 CE2 TYR A 118 -5.013 10.513 -3.897 1.00 0.00 C ATOM 1763 CZ TYR A 118 -4.806 11.703 -3.191 1.00 0.00 C ATOM 1764 OH TYR A 118 -5.400 12.871 -3.622 1.00 0.00 O ATOM 0 H TYR A 118 -1.843 8.164 -4.414 1.00 0.00 H new ATOM 0 HA TYR A 118 -0.866 8.662 -1.609 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -3.454 7.216 -2.347 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -3.033 7.955 -0.815 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -2.758 10.527 -0.744 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -4.568 8.418 -4.009 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -3.838 12.623 -1.500 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -5.641 10.508 -4.776 1.00 0.00 H new ATOM 0 HH TYR A 118 -4.965 13.637 -3.192 1.00 0.00 H new ATOM 1774 N TRP A 119 -0.099 6.259 -1.402 1.00 0.00 N ATOM 1775 CA TRP A 119 0.384 4.849 -1.392 1.00 0.00 C ATOM 1776 C TRP A 119 0.277 4.223 -0.008 1.00 0.00 C ATOM 1777 O TRP A 119 0.038 4.896 0.966 1.00 0.00 O ATOM 1778 CB TRP A 119 1.802 4.757 -1.952 1.00 0.00 C ATOM 1779 CG TRP A 119 2.780 5.626 -1.240 1.00 0.00 C ATOM 1780 CD1 TRP A 119 3.356 6.714 -1.756 1.00 0.00 C ATOM 1781 CD2 TRP A 119 3.353 5.448 0.060 1.00 0.00 C ATOM 1782 NE1 TRP A 119 4.264 7.224 -0.855 1.00 0.00 N ATOM 1783 CE2 TRP A 119 4.299 6.466 0.295 1.00 0.00 C ATOM 1784 CE3 TRP A 119 3.137 4.502 1.037 1.00 0.00 C ATOM 1785 CZ2 TRP A 119 5.019 6.527 1.483 1.00 0.00 C ATOM 1786 CZ3 TRP A 119 3.852 4.542 2.242 1.00 0.00 C ATOM 1787 CH2 TRP A 119 4.796 5.557 2.463 1.00 0.00 C ATOM 0 H TRP A 119 0.279 6.861 -0.671 1.00 0.00 H new ATOM 0 HA TRP A 119 -0.268 4.270 -2.046 1.00 0.00 H new ATOM 0 HB2 TRP A 119 2.140 3.722 -1.896 1.00 0.00 H new ATOM 0 HB3 TRP A 119 1.786 5.030 -3.007 1.00 0.00 H new ATOM 0 HD1 TRP A 119 3.143 7.130 -2.730 1.00 0.00 H new ATOM 0 HE1 TRP A 119 4.835 8.053 -1.018 1.00 0.00 H new ATOM 0 HE3 TRP A 119 2.409 3.721 0.873 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 5.741 7.314 1.646 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 3.677 3.793 3.000 1.00 0.00 H new ATOM 0 HH2 TRP A 119 5.349 5.588 3.390 1.00 0.00 H new ATOM 1798 N VAL A 120 0.412 2.915 0.069 1.00 0.00 N ATOM 1799 CA VAL A 120 0.281 2.212 1.384 1.00 0.00 C ATOM 1800 C VAL A 120 1.199 0.976 1.427 1.00 0.00 C ATOM 1801 O VAL A 120 1.008 0.026 0.694 1.00 0.00 O ATOM 1802 CB VAL A 120 -1.180 1.761 1.574 1.00 0.00 C ATOM 1803 CG1 VAL A 120 -1.317 1.015 2.902 1.00 0.00 C ATOM 1804 CG2 VAL A 120 -2.094 2.987 1.590 1.00 0.00 C ATOM 0 H VAL A 120 0.608 2.307 -0.726 1.00 0.00 H new ATOM 0 HA VAL A 120 0.571 2.897 2.181 1.00 0.00 H new ATOM 0 HB VAL A 120 -1.463 1.102 0.753 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -2.351 0.696 3.035 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -0.666 0.141 2.897 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -1.032 1.675 3.721 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -3.128 2.668 1.724 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -1.807 3.644 2.411 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -2.000 3.524 0.646 1.00 0.00 H new ATOM 1814 N PHE A 121 2.184 0.975 2.294 1.00 0.00 N ATOM 1815 CA PHE A 121 3.098 -0.200 2.403 1.00 0.00 C ATOM 1816 C PHE A 121 2.594 -1.108 3.491 1.00 0.00 C ATOM 1817 O PHE A 121 2.752 -0.824 4.658 1.00 0.00 O ATOM 1818 CB PHE A 121 4.527 0.263 2.762 1.00 0.00 C ATOM 1819 CG PHE A 121 4.943 1.380 1.811 1.00 0.00 C ATOM 1820 CD1 PHE A 121 4.273 1.549 0.584 1.00 0.00 C ATOM 1821 CD2 PHE A 121 5.975 2.262 2.156 1.00 0.00 C ATOM 1822 CE1 PHE A 121 4.624 2.583 -0.279 1.00 0.00 C ATOM 1823 CE2 PHE A 121 6.322 3.304 1.284 1.00 0.00 C ATOM 1824 CZ PHE A 121 5.642 3.463 0.071 1.00 0.00 C ATOM 0 H PHE A 121 2.393 1.743 2.932 1.00 0.00 H new ATOM 0 HA PHE A 121 3.122 -0.723 1.447 1.00 0.00 H new ATOM 0 HB2 PHE A 121 4.560 0.615 3.793 1.00 0.00 H new ATOM 0 HB3 PHE A 121 5.223 -0.573 2.688 1.00 0.00 H new ATOM 0 HD1 PHE A 121 3.479 0.870 0.310 1.00 0.00 H new ATOM 0 HD2 PHE A 121 6.502 2.140 3.091 1.00 0.00 H new ATOM 0 HE1 PHE A 121 4.106 2.702 -1.219 1.00 0.00 H new ATOM 0 HE2 PHE A 121 7.116 3.986 1.549 1.00 0.00 H new ATOM 0 HZ PHE A 121 5.909 4.271 -0.594 1.00 0.00 H new ATOM 1834 N VAL A 122 1.998 -2.201 3.135 1.00 0.00 N ATOM 1835 CA VAL A 122 1.518 -3.110 4.189 1.00 0.00 C ATOM 1836 C VAL A 122 2.665 -4.047 4.530 1.00 0.00 C ATOM 1837 O VAL A 122 2.990 -4.953 3.794 1.00 0.00 O ATOM 1838 CB VAL A 122 0.268 -3.876 3.711 1.00 0.00 C ATOM 1839 CG1 VAL A 122 0.274 -5.322 4.223 1.00 0.00 C ATOM 1840 CG2 VAL A 122 -0.970 -3.167 4.255 1.00 0.00 C ATOM 0 H VAL A 122 1.826 -2.499 2.175 1.00 0.00 H new ATOM 0 HA VAL A 122 1.218 -2.559 5.080 1.00 0.00 H new ATOM 0 HB VAL A 122 0.264 -3.896 2.621 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -0.620 -5.837 3.870 1.00 0.00 H new ATOM 0 HG12 VAL A 122 1.160 -5.836 3.851 1.00 0.00 H new ATOM 0 HG13 VAL A 122 0.286 -5.322 5.313 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -1.865 -3.695 3.927 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -0.934 -3.156 5.344 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -0.996 -2.143 3.883 1.00 0.00 H new ATOM 1850 N LYS A 123 3.261 -3.826 5.647 1.00 0.00 N ATOM 1851 CA LYS A 123 4.392 -4.689 6.071 1.00 0.00 C ATOM 1852 C LYS A 123 3.834 -5.859 6.871 1.00 0.00 C ATOM 1853 O LYS A 123 3.308 -5.687 7.948 1.00 0.00 O ATOM 1854 CB LYS A 123 5.363 -3.874 6.931 1.00 0.00 C ATOM 1855 CG LYS A 123 6.619 -3.567 6.112 1.00 0.00 C ATOM 1856 CD LYS A 123 7.775 -3.231 7.045 1.00 0.00 C ATOM 1857 CE LYS A 123 9.010 -2.745 6.263 1.00 0.00 C ATOM 1858 NZ LYS A 123 8.761 -1.394 5.692 1.00 0.00 N ATOM 0 H LYS A 123 3.018 -3.079 6.298 1.00 0.00 H new ATOM 0 HA LYS A 123 4.929 -5.064 5.200 1.00 0.00 H new ATOM 0 HB2 LYS A 123 4.890 -2.947 7.257 1.00 0.00 H new ATOM 0 HB3 LYS A 123 5.627 -4.430 7.830 1.00 0.00 H new ATOM 0 HG2 LYS A 123 6.878 -4.425 5.492 1.00 0.00 H new ATOM 0 HG3 LYS A 123 6.429 -2.732 5.438 1.00 0.00 H new ATOM 0 HD2 LYS A 123 7.463 -2.460 7.749 1.00 0.00 H new ATOM 0 HD3 LYS A 123 8.038 -4.111 7.632 1.00 0.00 H new ATOM 0 HE2 LYS A 123 9.877 -2.714 6.922 1.00 0.00 H new ATOM 0 HE3 LYS A 123 9.242 -3.448 5.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 9.277 -1.296 4.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 7.742 -1.272 5.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 9.089 -0.668 6.361 1.00 0.00 H new ATOM 1872 N ARG A 124 3.921 -7.050 6.350 1.00 0.00 N ATOM 1873 CA ARG A 124 3.364 -8.213 7.098 1.00 0.00 C ATOM 1874 C ARG A 124 4.017 -8.290 8.478 1.00 0.00 C ATOM 1875 O ARG A 124 5.219 -8.181 8.618 1.00 0.00 O ATOM 1876 CB ARG A 124 3.629 -9.506 6.321 1.00 0.00 C ATOM 1877 CG ARG A 124 3.059 -10.696 7.096 1.00 0.00 C ATOM 1878 CD ARG A 124 2.080 -11.465 6.207 1.00 0.00 C ATOM 1879 NE ARG A 124 1.098 -12.190 7.061 1.00 0.00 N ATOM 1880 CZ ARG A 124 1.504 -13.140 7.857 1.00 0.00 C ATOM 1881 NH1 ARG A 124 1.940 -12.847 9.052 1.00 0.00 N ATOM 1882 NH2 ARG A 124 1.476 -14.383 7.458 1.00 0.00 N ATOM 0 H ARG A 124 4.348 -7.269 5.450 1.00 0.00 H new ATOM 0 HA ARG A 124 2.288 -8.087 7.215 1.00 0.00 H new ATOM 0 HB2 ARG A 124 3.171 -9.449 5.333 1.00 0.00 H new ATOM 0 HB3 ARG A 124 4.700 -9.638 6.169 1.00 0.00 H new ATOM 0 HG2 ARG A 124 3.866 -11.353 7.419 1.00 0.00 H new ATOM 0 HG3 ARG A 124 2.552 -10.348 7.996 1.00 0.00 H new ATOM 0 HD2 ARG A 124 1.560 -10.777 5.540 1.00 0.00 H new ATOM 0 HD3 ARG A 124 2.621 -12.171 5.577 1.00 0.00 H new ATOM 0 HE ARG A 124 0.109 -11.944 7.023 1.00 0.00 H new ATOM 0 HH11 ARG A 124 1.963 -11.876 9.363 1.00 0.00 H new ATOM 0 HH12 ARG A 124 2.258 -13.589 9.675 1.00 0.00 H new ATOM 0 HH21 ARG A 124 1.137 -14.611 6.524 1.00 0.00 H new ATOM 0 HH22 ARG A 124 1.794 -15.126 8.081 1.00 0.00 H new ATOM 1896 N VAL A 125 3.226 -8.468 9.499 1.00 0.00 N ATOM 1897 CA VAL A 125 3.790 -8.544 10.877 1.00 0.00 C ATOM 1898 C VAL A 125 4.004 -10.009 11.257 1.00 0.00 C ATOM 1899 O VAL A 125 3.029 -10.742 11.288 1.00 0.00 O ATOM 1900 CB VAL A 125 2.829 -7.892 11.887 1.00 0.00 C ATOM 1901 CG1 VAL A 125 3.636 -7.317 13.039 1.00 0.00 C ATOM 1902 CG2 VAL A 125 2.055 -6.748 11.241 1.00 0.00 C ATOM 1903 OXT VAL A 125 5.140 -10.374 11.511 1.00 0.00 O ATOM 0 H VAL A 125 2.212 -8.564 9.439 1.00 0.00 H new ATOM 0 HA VAL A 125 4.741 -8.011 10.898 1.00 0.00 H new ATOM 0 HB VAL A 125 2.130 -8.653 12.234 1.00 0.00 H new ATOM 0 HG11 VAL A 125 2.962 -6.853 13.759 1.00 0.00 H new ATOM 0 HG12 VAL A 125 4.194 -8.116 13.527 1.00 0.00 H new ATOM 0 HG13 VAL A 125 4.331 -6.569 12.658 1.00 0.00 H new ATOM 0 HG21 VAL A 125 1.383 -6.303 11.975 1.00 0.00 H new ATOM 0 HG22 VAL A 125 2.754 -5.992 10.884 1.00 0.00 H new ATOM 0 HG23 VAL A 125 1.474 -7.130 10.401 1.00 0.00 H new TER 1913 VAL A 125 HETATM 1914 C1 HC4 A 126 -8.699 -5.761 3.475 1.00 0.00 C HETATM 1915 O1 HC4 A 126 -9.509 -6.641 3.256 1.00 0.00 O HETATM 1916 C2 HC4 A 126 -7.414 -5.577 2.706 1.00 0.00 C HETATM 1917 C3 HC4 A 126 -7.149 -6.415 1.737 1.00 0.00 C HETATM 1918 C1' HC4 A 126 -5.854 -6.347 0.982 1.00 0.00 C HETATM 1919 C2' HC4 A 126 -5.597 -7.291 -0.020 1.00 0.00 C HETATM 1920 C3' HC4 A 126 -4.371 -7.256 -0.708 1.00 0.00 C HETATM 1921 C4' HC4 A 126 -3.411 -6.271 -0.379 1.00 0.00 C HETATM 1922 C5' HC4 A 126 -3.680 -5.326 0.622 1.00 0.00 C HETATM 1923 C6' HC4 A 126 -4.904 -5.367 1.301 1.00 0.00 C HETATM 1924 O4' HC4 A 126 -2.337 -6.245 -0.958 1.00 0.00 O HETATM 0 H6' HC4 A 126 -5.119 -4.635 2.080 1.00 0.00 H new HETATM 0 H5' HC4 A 126 -2.941 -4.564 0.870 1.00 0.00 H new HETATM 0 H3' HC4 A 126 -4.162 -7.985 -1.491 1.00 0.00 H new HETATM 0 H3 HC4 A 126 -7.883 -7.177 1.473 1.00 0.00 H new HETATM 0 H2' HC4 A 126 -6.342 -8.048 -0.265 1.00 0.00 H new HETATM 0 H2 HC4 A 126 -6.726 -4.768 2.951 1.00 0.00 H new