USER MOD reduce.3.24.130724 H: found=0, std=0, add=1026, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1023 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Set 1.2: A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 56 TYR OH : rot 180:sc= -1.43! USER MOD Set 2.2: A 57 SER OG : rot -46:sc= 1.13 USER MOD Set 3.1: A 39 THR OG1 : rot 161:sc= 0.0963 USER MOD Set 3.2: A 40 THR OG1 : rot 180:sc= 0.126 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.835 K(o=-0.84,f=-4.3!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 150:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 16 SER OG : rot 180:sc= 0.0654 USER MOD Single : A 18 THR OG1 : rot -60:sc= 0.439 USER MOD Single : A 21 LYS NZ :NH3+ -107:sc= 0 (180deg=-0.944) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.162 USER MOD Single : A 25 THR OG1 : rot 159:sc= 0.564 USER MOD Single : A 28 THR OG1 : rot 101:sc= -0.385! USER MOD Single : A 30 THR OG1 : rot 168:sc= -4.74! USER MOD Single : A 36 SER OG : rot 180:sc= -1.32! USER MOD Single : A 37 LYS NZ :NH3+ 165:sc= -0.194 (180deg=-0.539) USER MOD Single : A 38 ASN : amide:sc= 0.128 X(o=0.13,f=0) USER MOD Single : A 42 LYS NZ :NH3+ -143:sc= -0.463 (180deg=-2.03!) USER MOD Single : A 44 THR OG1 : rot -146:sc= 0.099 USER MOD Single : A 50 THR OG1 : rot -169:sc= 0.283 USER MOD Single : A 54 GLN : amide:sc= -0.588 K(o=-0.59,f=-3.5!) USER MOD Single : A 58 HIS : no HD1:sc= -0.662 K(o=-0.66,f=-0.0087) USER MOD Single : A 59 HIS : no HD1:sc= -1.9! K(o=-1.9!,f=-0.0003) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 97:sc= -0.612! USER MOD Single : A 71 GLN : amide:sc= -1.86! K(o=-1.9!,f=-0.82) USER MOD Single : A 72 GLN : amide:sc= -14.6! C(o=-15!,f=-25!) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HE2:sc= -16! C(o=-16!,f=-23!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -4.84! C(o=-4.8!,f=-5.2!) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -1.3 X(o=-1.3,f=-1.6) USER MOD Single : A 106 GLN : amide:sc= -0.0934 X(o=-0.093,f=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -0.183 K(o=-0.18,f=-1.6!) USER MOD Single : A 117 LYS NZ :NH3+ 154:sc= -0.219 (180deg=-1.48) USER MOD Single : A 118 THR OG1 : rot 77:sc= 0.812 USER MOD Single : A 120 MET CE :methyl -134:sc= -10.5! (180deg=-19.5!) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot -44:sc= 0.528 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 52 N ASP A 4 13.307 4.086 -25.856 1.00 0.00 N ATOM 53 CA ASP A 4 12.760 5.252 -26.604 1.00 0.00 C ATOM 54 C ASP A 4 13.524 6.516 -26.216 1.00 0.00 C ATOM 55 O ASP A 4 14.290 6.529 -25.272 1.00 0.00 O ATOM 56 CB ASP A 4 11.282 5.429 -26.262 1.00 0.00 C ATOM 57 CG ASP A 4 10.559 6.080 -27.443 1.00 0.00 C ATOM 58 OD1 ASP A 4 10.907 5.768 -28.570 1.00 0.00 O ATOM 59 OD2 ASP A 4 9.670 6.880 -27.200 1.00 0.00 O ATOM 0 HA ASP A 4 12.869 5.076 -27.674 1.00 0.00 H new ATOM 0 HB2 ASP A 4 10.832 4.463 -26.035 1.00 0.00 H new ATOM 0 HB3 ASP A 4 11.176 6.048 -25.371 1.00 0.00 H new ATOM 64 N ILE A 5 13.318 7.582 -26.935 1.00 0.00 N ATOM 65 CA ILE A 5 14.024 8.854 -26.610 1.00 0.00 C ATOM 66 C ILE A 5 13.549 9.356 -25.244 1.00 0.00 C ATOM 67 O ILE A 5 14.277 10.008 -24.525 1.00 0.00 O ATOM 68 CB ILE A 5 13.711 9.900 -27.686 1.00 0.00 C ATOM 69 CG1 ILE A 5 14.507 9.579 -28.954 1.00 0.00 C ATOM 70 CG2 ILE A 5 14.102 11.293 -27.187 1.00 0.00 C ATOM 71 CD1 ILE A 5 16.003 9.657 -28.649 1.00 0.00 C ATOM 0 H ILE A 5 12.689 7.629 -27.737 1.00 0.00 H new ATOM 0 HA ILE A 5 15.100 8.683 -26.580 1.00 0.00 H new ATOM 0 HB ILE A 5 12.643 9.880 -27.904 1.00 0.00 H new ATOM 0 HG12 ILE A 5 14.250 8.583 -29.315 1.00 0.00 H new ATOM 0 HG13 ILE A 5 14.249 10.282 -29.746 1.00 0.00 H new ATOM 0 HG21 ILE A 5 13.877 12.032 -27.956 1.00 0.00 H new ATOM 0 HG22 ILE A 5 13.539 11.527 -26.284 1.00 0.00 H new ATOM 0 HG23 ILE A 5 15.169 11.314 -26.965 1.00 0.00 H new ATOM 0 HD11 ILE A 5 16.571 9.429 -29.551 1.00 0.00 H new ATOM 0 HD12 ILE A 5 16.253 10.662 -28.308 1.00 0.00 H new ATOM 0 HD13 ILE A 5 16.254 8.936 -27.870 1.00 0.00 H new ATOM 83 N THR A 6 12.334 9.057 -24.885 1.00 0.00 N ATOM 84 CA THR A 6 11.808 9.517 -23.569 1.00 0.00 C ATOM 85 C THR A 6 12.805 9.169 -22.459 1.00 0.00 C ATOM 86 O THR A 6 12.885 9.845 -21.453 1.00 0.00 O ATOM 87 CB THR A 6 10.470 8.823 -23.286 1.00 0.00 C ATOM 88 OG1 THR A 6 9.468 9.377 -24.127 1.00 0.00 O ATOM 89 CG2 THR A 6 10.081 9.028 -21.822 1.00 0.00 C ATOM 0 H THR A 6 11.680 8.512 -25.447 1.00 0.00 H new ATOM 0 HA THR A 6 11.664 10.597 -23.597 1.00 0.00 H new ATOM 0 HB THR A 6 10.565 7.755 -23.484 1.00 0.00 H new ATOM 0 HG1 THR A 6 8.611 8.935 -23.950 1.00 0.00 H new ATOM 0 HG21 THR A 6 9.130 8.533 -21.626 1.00 0.00 H new ATOM 0 HG22 THR A 6 10.851 8.603 -21.178 1.00 0.00 H new ATOM 0 HG23 THR A 6 9.985 10.094 -21.617 1.00 0.00 H new ATOM 97 N LEU A 7 13.558 8.118 -22.627 1.00 0.00 N ATOM 98 CA LEU A 7 14.535 7.732 -21.576 1.00 0.00 C ATOM 99 C LEU A 7 15.665 8.763 -21.536 1.00 0.00 C ATOM 100 O LEU A 7 16.041 9.237 -20.484 1.00 0.00 O ATOM 101 CB LEU A 7 15.080 6.300 -21.838 1.00 0.00 C ATOM 102 CG LEU A 7 16.599 6.298 -21.955 1.00 0.00 C ATOM 103 CD1 LEU A 7 17.223 6.648 -20.600 1.00 0.00 C ATOM 104 CD2 LEU A 7 17.068 4.910 -22.389 1.00 0.00 C ATOM 0 H LEU A 7 13.538 7.511 -23.447 1.00 0.00 H new ATOM 0 HA LEU A 7 14.041 7.718 -20.604 1.00 0.00 H new ATOM 0 HB2 LEU A 7 14.775 5.639 -21.027 1.00 0.00 H new ATOM 0 HB3 LEU A 7 14.642 5.904 -22.754 1.00 0.00 H new ATOM 0 HG LEU A 7 16.907 7.038 -22.693 1.00 0.00 H new ATOM 0 HD11 LEU A 7 18.309 6.645 -20.688 1.00 0.00 H new ATOM 0 HD12 LEU A 7 16.887 7.637 -20.289 1.00 0.00 H new ATOM 0 HD13 LEU A 7 16.918 5.911 -19.857 1.00 0.00 H new ATOM 0 HD21 LEU A 7 18.155 4.903 -22.474 1.00 0.00 H new ATOM 0 HD22 LEU A 7 16.758 4.173 -21.648 1.00 0.00 H new ATOM 0 HD23 LEU A 7 16.627 4.662 -23.354 1.00 0.00 H new ATOM 116 N GLN A 8 16.215 9.116 -22.664 1.00 0.00 N ATOM 117 CA GLN A 8 17.317 10.116 -22.647 1.00 0.00 C ATOM 118 C GLN A 8 16.876 11.304 -21.804 1.00 0.00 C ATOM 119 O GLN A 8 17.671 11.988 -21.193 1.00 0.00 O ATOM 120 CB GLN A 8 17.641 10.568 -24.076 1.00 0.00 C ATOM 121 CG GLN A 8 16.551 11.514 -24.580 1.00 0.00 C ATOM 122 CD GLN A 8 17.062 12.956 -24.527 1.00 0.00 C ATOM 123 OE1 GLN A 8 16.501 13.787 -23.841 1.00 0.00 O ATOM 124 NE2 GLN A 8 18.110 13.290 -25.229 1.00 0.00 N ATOM 0 H GLN A 8 15.954 8.761 -23.584 1.00 0.00 H new ATOM 0 HA GLN A 8 18.216 9.673 -22.219 1.00 0.00 H new ATOM 0 HB2 GLN A 8 18.609 11.069 -24.098 1.00 0.00 H new ATOM 0 HB3 GLN A 8 17.716 9.702 -24.733 1.00 0.00 H new ATOM 0 HG2 GLN A 8 16.272 11.253 -25.601 1.00 0.00 H new ATOM 0 HG3 GLN A 8 15.655 11.412 -23.968 1.00 0.00 H new ATOM 0 HE21 GLN A 8 18.581 12.593 -25.805 1.00 0.00 H new ATOM 0 HE22 GLN A 8 18.458 14.248 -25.202 1.00 0.00 H new ATOM 133 N GLU A 9 15.605 11.537 -21.772 1.00 0.00 N ATOM 134 CA GLU A 9 15.058 12.667 -20.974 1.00 0.00 C ATOM 135 C GLU A 9 15.190 12.359 -19.478 1.00 0.00 C ATOM 136 O GLU A 9 15.620 13.190 -18.703 1.00 0.00 O ATOM 137 CB GLU A 9 13.583 12.872 -21.324 1.00 0.00 C ATOM 138 CG GLU A 9 13.470 13.834 -22.509 1.00 0.00 C ATOM 139 CD GLU A 9 12.086 13.697 -23.148 1.00 0.00 C ATOM 140 OE1 GLU A 9 11.117 14.047 -22.495 1.00 0.00 O ATOM 141 OE2 GLU A 9 12.021 13.246 -24.279 1.00 0.00 O ATOM 0 H GLU A 9 14.906 10.987 -22.271 1.00 0.00 H new ATOM 0 HA GLU A 9 15.618 13.573 -21.205 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.121 11.917 -21.572 1.00 0.00 H new ATOM 0 HB3 GLU A 9 13.046 13.272 -20.464 1.00 0.00 H new ATOM 0 HG2 GLU A 9 13.628 14.859 -22.175 1.00 0.00 H new ATOM 0 HG3 GLU A 9 14.245 13.615 -23.244 1.00 0.00 H new ATOM 148 N ILE A 10 14.816 11.176 -19.059 1.00 0.00 N ATOM 149 CA ILE A 10 14.918 10.840 -17.608 1.00 0.00 C ATOM 150 C ILE A 10 16.379 10.878 -17.174 1.00 0.00 C ATOM 151 O ILE A 10 16.685 11.252 -16.067 1.00 0.00 O ATOM 152 CB ILE A 10 14.351 9.439 -17.355 1.00 0.00 C ATOM 153 CG1 ILE A 10 12.826 9.465 -17.470 1.00 0.00 C ATOM 154 CG2 ILE A 10 14.739 8.974 -15.950 1.00 0.00 C ATOM 155 CD1 ILE A 10 12.426 9.656 -18.933 1.00 0.00 C ATOM 0 H ILE A 10 14.447 10.434 -19.654 1.00 0.00 H new ATOM 0 HA ILE A 10 14.347 11.570 -17.034 1.00 0.00 H new ATOM 0 HB ILE A 10 14.760 8.753 -18.097 1.00 0.00 H new ATOM 0 HG12 ILE A 10 12.406 8.535 -17.086 1.00 0.00 H new ATOM 0 HG13 ILE A 10 12.419 10.273 -16.863 1.00 0.00 H new ATOM 0 HG21 ILE A 10 14.335 7.977 -15.772 1.00 0.00 H new ATOM 0 HG22 ILE A 10 15.825 8.946 -15.863 1.00 0.00 H new ATOM 0 HG23 ILE A 10 14.334 9.667 -15.213 1.00 0.00 H new ATOM 0 HD11 ILE A 10 11.339 9.674 -19.014 1.00 0.00 H new ATOM 0 HD12 ILE A 10 12.833 10.598 -19.302 1.00 0.00 H new ATOM 0 HD13 ILE A 10 12.820 8.832 -19.528 1.00 0.00 H new ATOM 167 N ILE A 11 17.284 10.495 -18.025 1.00 0.00 N ATOM 168 CA ILE A 11 18.715 10.531 -17.629 1.00 0.00 C ATOM 169 C ILE A 11 19.154 11.988 -17.535 1.00 0.00 C ATOM 170 O ILE A 11 20.026 12.337 -16.767 1.00 0.00 O ATOM 171 CB ILE A 11 19.563 9.791 -18.666 1.00 0.00 C ATOM 172 CG1 ILE A 11 19.294 8.287 -18.560 1.00 0.00 C ATOM 173 CG2 ILE A 11 21.046 10.065 -18.406 1.00 0.00 C ATOM 174 CD1 ILE A 11 20.351 7.517 -19.351 1.00 0.00 C ATOM 0 H ILE A 11 17.098 10.161 -18.971 1.00 0.00 H new ATOM 0 HA ILE A 11 18.848 10.041 -16.664 1.00 0.00 H new ATOM 0 HB ILE A 11 19.302 10.139 -19.665 1.00 0.00 H new ATOM 0 HG12 ILE A 11 19.311 7.978 -17.515 1.00 0.00 H new ATOM 0 HG13 ILE A 11 18.300 8.058 -18.944 1.00 0.00 H new ATOM 0 HG21 ILE A 11 21.649 9.537 -19.145 1.00 0.00 H new ATOM 0 HG22 ILE A 11 21.237 11.136 -18.480 1.00 0.00 H new ATOM 0 HG23 ILE A 11 21.311 9.717 -17.407 1.00 0.00 H new ATOM 0 HD11 ILE A 11 20.156 6.447 -19.273 1.00 0.00 H new ATOM 0 HD12 ILE A 11 20.312 7.818 -20.398 1.00 0.00 H new ATOM 0 HD13 ILE A 11 21.339 7.736 -18.947 1.00 0.00 H new ATOM 186 N LYS A 12 18.550 12.841 -18.312 1.00 0.00 N ATOM 187 CA LYS A 12 18.921 14.280 -18.267 1.00 0.00 C ATOM 188 C LYS A 12 18.498 14.876 -16.919 1.00 0.00 C ATOM 189 O LYS A 12 19.260 15.565 -16.271 1.00 0.00 O ATOM 190 CB LYS A 12 18.212 15.025 -19.399 1.00 0.00 C ATOM 191 CG LYS A 12 19.220 15.900 -20.145 1.00 0.00 C ATOM 192 CD LYS A 12 18.553 16.513 -21.379 1.00 0.00 C ATOM 193 CE LYS A 12 19.625 17.066 -22.318 1.00 0.00 C ATOM 194 NZ LYS A 12 19.956 16.043 -23.349 1.00 0.00 N ATOM 0 H LYS A 12 17.814 12.603 -18.977 1.00 0.00 H new ATOM 0 HA LYS A 12 20.000 14.380 -18.386 1.00 0.00 H new ATOM 0 HB2 LYS A 12 17.754 14.313 -20.086 1.00 0.00 H new ATOM 0 HB3 LYS A 12 17.408 15.641 -18.996 1.00 0.00 H new ATOM 0 HG2 LYS A 12 19.588 16.688 -19.489 1.00 0.00 H new ATOM 0 HG3 LYS A 12 20.083 15.305 -20.443 1.00 0.00 H new ATOM 0 HD2 LYS A 12 17.957 15.760 -21.894 1.00 0.00 H new ATOM 0 HD3 LYS A 12 17.872 17.309 -21.079 1.00 0.00 H new ATOM 0 HE2 LYS A 12 19.269 17.978 -22.796 1.00 0.00 H new ATOM 0 HE3 LYS A 12 20.518 17.330 -21.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 20.685 16.418 -23.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 20.312 15.184 -22.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 19.102 15.812 -23.896 1.00 0.00 H new ATOM 208 N THR A 13 17.288 14.618 -16.488 1.00 0.00 N ATOM 209 CA THR A 13 16.831 15.179 -15.184 1.00 0.00 C ATOM 210 C THR A 13 17.559 14.477 -14.036 1.00 0.00 C ATOM 211 O THR A 13 17.956 15.091 -13.066 1.00 0.00 O ATOM 212 CB THR A 13 15.316 14.968 -15.053 1.00 0.00 C ATOM 213 OG1 THR A 13 14.638 15.968 -15.801 1.00 0.00 O ATOM 214 CG2 THR A 13 14.897 15.059 -13.583 1.00 0.00 C ATOM 0 H THR A 13 16.602 14.046 -16.981 1.00 0.00 H new ATOM 0 HA THR A 13 17.055 16.245 -15.142 1.00 0.00 H new ATOM 0 HB THR A 13 15.057 13.980 -15.435 1.00 0.00 H new ATOM 0 HG1 THR A 13 13.786 15.611 -16.127 1.00 0.00 H new ATOM 0 HG21 THR A 13 13.821 14.908 -13.501 1.00 0.00 H new ATOM 0 HG22 THR A 13 15.416 14.291 -13.009 1.00 0.00 H new ATOM 0 HG23 THR A 13 15.156 16.043 -13.191 1.00 0.00 H new ATOM 222 N LEU A 14 17.729 13.195 -14.142 1.00 0.00 N ATOM 223 CA LEU A 14 18.419 12.430 -13.073 1.00 0.00 C ATOM 224 C LEU A 14 19.886 12.861 -13.015 1.00 0.00 C ATOM 225 O LEU A 14 20.518 12.824 -11.979 1.00 0.00 O ATOM 226 CB LEU A 14 18.308 10.939 -13.408 1.00 0.00 C ATOM 227 CG LEU A 14 19.375 10.134 -12.666 1.00 0.00 C ATOM 228 CD1 LEU A 14 19.101 10.184 -11.162 1.00 0.00 C ATOM 229 CD2 LEU A 14 19.321 8.683 -13.151 1.00 0.00 C ATOM 0 H LEU A 14 17.415 12.635 -14.935 1.00 0.00 H new ATOM 0 HA LEU A 14 17.964 12.620 -12.101 1.00 0.00 H new ATOM 0 HB2 LEU A 14 17.317 10.574 -13.138 1.00 0.00 H new ATOM 0 HB3 LEU A 14 18.419 10.794 -14.483 1.00 0.00 H new ATOM 0 HG LEU A 14 20.362 10.554 -12.862 1.00 0.00 H new ATOM 0 HD11 LEU A 14 19.862 9.610 -10.634 1.00 0.00 H new ATOM 0 HD12 LEU A 14 19.126 11.219 -10.822 1.00 0.00 H new ATOM 0 HD13 LEU A 14 18.119 9.759 -10.957 1.00 0.00 H new ATOM 0 HD21 LEU A 14 20.078 8.097 -12.630 1.00 0.00 H new ATOM 0 HD22 LEU A 14 18.335 8.267 -12.946 1.00 0.00 H new ATOM 0 HD23 LEU A 14 19.512 8.651 -14.224 1.00 0.00 H new ATOM 241 N ASN A 15 20.425 13.275 -14.127 1.00 0.00 N ATOM 242 CA ASN A 15 21.848 13.715 -14.158 1.00 0.00 C ATOM 243 C ASN A 15 21.999 15.064 -13.422 1.00 0.00 C ATOM 244 O ASN A 15 22.869 15.218 -12.591 1.00 0.00 O ATOM 245 CB ASN A 15 22.291 13.884 -15.614 1.00 0.00 C ATOM 246 CG ASN A 15 23.168 12.699 -16.020 1.00 0.00 C ATOM 247 OD1 ASN A 15 22.807 11.559 -15.807 1.00 0.00 O ATOM 248 ND2 ASN A 15 24.316 12.922 -16.600 1.00 0.00 N ATOM 0 H ASN A 15 19.938 13.328 -15.022 1.00 0.00 H new ATOM 0 HA ASN A 15 22.466 12.965 -13.664 1.00 0.00 H new ATOM 0 HB2 ASN A 15 21.420 13.946 -16.266 1.00 0.00 H new ATOM 0 HB3 ASN A 15 22.843 14.816 -15.732 1.00 0.00 H new ATOM 0 HD21 ASN A 15 24.909 12.139 -16.874 1.00 0.00 H new ATOM 0 HD22 ASN A 15 24.620 13.879 -16.779 1.00 0.00 H new ATOM 255 N SER A 16 21.176 16.056 -13.730 1.00 0.00 N ATOM 256 CA SER A 16 21.320 17.376 -13.047 1.00 0.00 C ATOM 257 C SER A 16 21.384 17.193 -11.528 1.00 0.00 C ATOM 258 O SER A 16 22.236 17.747 -10.866 1.00 0.00 O ATOM 259 CB SER A 16 20.123 18.260 -13.400 1.00 0.00 C ATOM 260 OG SER A 16 19.688 17.963 -14.719 1.00 0.00 O ATOM 0 H SER A 16 20.424 16.000 -14.417 1.00 0.00 H new ATOM 0 HA SER A 16 22.245 17.846 -13.382 1.00 0.00 H new ATOM 0 HB2 SER A 16 19.312 18.092 -12.692 1.00 0.00 H new ATOM 0 HB3 SER A 16 20.399 19.312 -13.325 1.00 0.00 H new ATOM 0 HG SER A 16 18.920 18.528 -14.945 1.00 0.00 H new ATOM 266 N LEU A 17 20.479 16.440 -10.969 1.00 0.00 N ATOM 267 CA LEU A 17 20.485 16.247 -9.488 1.00 0.00 C ATOM 268 C LEU A 17 21.830 15.672 -9.030 1.00 0.00 C ATOM 269 O LEU A 17 22.303 15.972 -7.952 1.00 0.00 O ATOM 270 CB LEU A 17 19.352 15.296 -9.092 1.00 0.00 C ATOM 271 CG LEU A 17 18.046 15.767 -9.739 1.00 0.00 C ATOM 272 CD1 LEU A 17 16.856 15.021 -9.120 1.00 0.00 C ATOM 273 CD2 LEU A 17 17.880 17.271 -9.505 1.00 0.00 C ATOM 0 H LEU A 17 19.737 15.950 -11.469 1.00 0.00 H new ATOM 0 HA LEU A 17 20.336 17.212 -9.004 1.00 0.00 H new ATOM 0 HB2 LEU A 17 19.585 14.281 -9.413 1.00 0.00 H new ATOM 0 HB3 LEU A 17 19.245 15.271 -8.008 1.00 0.00 H new ATOM 0 HG LEU A 17 18.080 15.561 -10.809 1.00 0.00 H new ATOM 0 HD11 LEU A 17 15.931 15.362 -9.585 1.00 0.00 H new ATOM 0 HD12 LEU A 17 16.972 13.950 -9.285 1.00 0.00 H new ATOM 0 HD13 LEU A 17 16.818 15.221 -8.049 1.00 0.00 H new ATOM 0 HD21 LEU A 17 16.951 17.610 -9.964 1.00 0.00 H new ATOM 0 HD22 LEU A 17 17.850 17.471 -8.434 1.00 0.00 H new ATOM 0 HD23 LEU A 17 18.721 17.803 -9.950 1.00 0.00 H new ATOM 285 N THR A 18 22.450 14.849 -9.830 1.00 0.00 N ATOM 286 CA THR A 18 23.761 14.268 -9.417 1.00 0.00 C ATOM 287 C THR A 18 24.828 15.351 -9.426 1.00 0.00 C ATOM 288 O THR A 18 25.582 15.517 -8.487 1.00 0.00 O ATOM 289 CB THR A 18 24.156 13.146 -10.379 1.00 0.00 C ATOM 290 OG1 THR A 18 24.382 13.692 -11.672 1.00 0.00 O ATOM 291 CG2 THR A 18 23.032 12.110 -10.449 1.00 0.00 C ATOM 0 H THR A 18 22.110 14.555 -10.745 1.00 0.00 H new ATOM 0 HA THR A 18 23.671 13.861 -8.410 1.00 0.00 H new ATOM 0 HB THR A 18 25.067 12.665 -10.022 1.00 0.00 H new ATOM 0 HG1 THR A 18 23.563 14.125 -11.992 1.00 0.00 H new ATOM 0 HG21 THR A 18 23.315 11.312 -11.135 1.00 0.00 H new ATOM 0 HG22 THR A 18 22.860 11.692 -9.457 1.00 0.00 H new ATOM 0 HG23 THR A 18 22.119 12.587 -10.805 1.00 0.00 H new ATOM 299 N GLU A 19 24.885 16.090 -10.481 1.00 0.00 N ATOM 300 CA GLU A 19 25.891 17.183 -10.583 1.00 0.00 C ATOM 301 C GLU A 19 25.670 18.164 -9.444 1.00 0.00 C ATOM 302 O GLU A 19 26.583 18.805 -8.960 1.00 0.00 O ATOM 303 CB GLU A 19 25.739 17.903 -11.924 1.00 0.00 C ATOM 304 CG GLU A 19 26.901 17.521 -12.844 1.00 0.00 C ATOM 305 CD GLU A 19 26.495 16.327 -13.709 1.00 0.00 C ATOM 306 OE1 GLU A 19 25.950 15.382 -13.163 1.00 0.00 O ATOM 307 OE2 GLU A 19 26.737 16.377 -14.904 1.00 0.00 O ATOM 0 H GLU A 19 24.274 15.990 -11.292 1.00 0.00 H new ATOM 0 HA GLU A 19 26.896 16.766 -10.519 1.00 0.00 H new ATOM 0 HB2 GLU A 19 24.790 17.633 -12.388 1.00 0.00 H new ATOM 0 HB3 GLU A 19 25.723 18.982 -11.770 1.00 0.00 H new ATOM 0 HG2 GLU A 19 27.171 18.367 -13.476 1.00 0.00 H new ATOM 0 HG3 GLU A 19 27.781 17.272 -12.251 1.00 0.00 H new ATOM 314 N GLN A 20 24.458 18.269 -9.014 1.00 0.00 N ATOM 315 CA GLN A 20 24.129 19.194 -7.894 1.00 0.00 C ATOM 316 C GLN A 20 23.687 18.372 -6.681 1.00 0.00 C ATOM 317 O GLN A 20 22.557 17.936 -6.595 1.00 0.00 O ATOM 318 CB GLN A 20 22.996 20.130 -8.320 1.00 0.00 C ATOM 319 CG GLN A 20 23.472 21.011 -9.476 1.00 0.00 C ATOM 320 CD GLN A 20 22.366 21.998 -9.855 1.00 0.00 C ATOM 321 OE1 GLN A 20 21.793 22.644 -9.001 1.00 0.00 O ATOM 322 NE2 GLN A 20 22.041 22.142 -11.111 1.00 0.00 N ATOM 0 H GLN A 20 23.664 17.750 -9.390 1.00 0.00 H new ATOM 0 HA GLN A 20 25.006 19.787 -7.636 1.00 0.00 H new ATOM 0 HB2 GLN A 20 22.125 19.550 -8.625 1.00 0.00 H new ATOM 0 HB3 GLN A 20 22.686 20.750 -7.479 1.00 0.00 H new ATOM 0 HG2 GLN A 20 24.373 21.552 -9.188 1.00 0.00 H new ATOM 0 HG3 GLN A 20 23.732 20.393 -10.335 1.00 0.00 H new ATOM 0 HE21 GLN A 20 22.523 21.599 -11.828 1.00 0.00 H new ATOM 0 HE22 GLN A 20 21.306 22.797 -11.376 1.00 0.00 H new ATOM 331 N LYS A 21 24.571 18.153 -5.748 1.00 0.00 N ATOM 332 CA LYS A 21 24.205 17.355 -4.545 1.00 0.00 C ATOM 333 C LYS A 21 25.292 17.527 -3.484 1.00 0.00 C ATOM 334 O LYS A 21 26.061 16.625 -3.216 1.00 0.00 O ATOM 335 CB LYS A 21 24.091 15.875 -4.927 1.00 0.00 C ATOM 336 CG LYS A 21 22.974 15.221 -4.109 1.00 0.00 C ATOM 337 CD LYS A 21 21.669 15.991 -4.318 1.00 0.00 C ATOM 338 CE LYS A 21 20.510 15.001 -4.459 1.00 0.00 C ATOM 339 NZ LYS A 21 19.259 15.627 -3.946 1.00 0.00 N ATOM 0 H LYS A 21 25.533 18.493 -5.767 1.00 0.00 H new ATOM 0 HA LYS A 21 23.248 17.699 -4.152 1.00 0.00 H new ATOM 0 HB2 LYS A 21 23.880 15.779 -5.992 1.00 0.00 H new ATOM 0 HB3 LYS A 21 25.037 15.367 -4.742 1.00 0.00 H new ATOM 0 HG2 LYS A 21 22.848 14.182 -4.412 1.00 0.00 H new ATOM 0 HG3 LYS A 21 23.239 15.215 -3.052 1.00 0.00 H new ATOM 0 HD2 LYS A 21 21.490 16.660 -3.476 1.00 0.00 H new ATOM 0 HD3 LYS A 21 21.740 16.614 -5.210 1.00 0.00 H new ATOM 0 HE2 LYS A 21 20.385 14.717 -5.504 1.00 0.00 H new ATOM 0 HE3 LYS A 21 20.727 14.088 -3.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 19.005 15.198 -3.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 19.409 16.648 -3.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 18.489 15.472 -4.627 1.00 0.00 H new ATOM 353 N THR A 22 25.368 18.681 -2.881 1.00 0.00 N ATOM 354 CA THR A 22 26.414 18.908 -1.842 1.00 0.00 C ATOM 355 C THR A 22 26.018 18.192 -0.550 1.00 0.00 C ATOM 356 O THR A 22 26.497 17.114 -0.258 1.00 0.00 O ATOM 357 CB THR A 22 26.583 20.412 -1.568 1.00 0.00 C ATOM 358 OG1 THR A 22 27.055 20.595 -0.241 1.00 0.00 O ATOM 359 CG2 THR A 22 25.250 21.145 -1.738 1.00 0.00 C ATOM 0 H THR A 22 24.754 19.475 -3.061 1.00 0.00 H new ATOM 0 HA THR A 22 27.361 18.510 -2.206 1.00 0.00 H new ATOM 0 HB THR A 22 27.299 20.821 -2.281 1.00 0.00 H new ATOM 0 HG1 THR A 22 27.166 21.552 -0.062 1.00 0.00 H new ATOM 0 HG21 THR A 22 25.391 22.207 -1.540 1.00 0.00 H new ATOM 0 HG22 THR A 22 24.889 21.011 -2.758 1.00 0.00 H new ATOM 0 HG23 THR A 22 24.520 20.739 -1.038 1.00 0.00 H new ATOM 367 N LEU A 23 25.158 18.781 0.234 1.00 0.00 N ATOM 368 CA LEU A 23 24.751 18.125 1.510 1.00 0.00 C ATOM 369 C LEU A 23 23.245 17.845 1.509 1.00 0.00 C ATOM 370 O LEU A 23 22.617 17.807 2.548 1.00 0.00 O ATOM 371 CB LEU A 23 25.094 19.045 2.681 1.00 0.00 C ATOM 372 CG LEU A 23 26.212 18.413 3.514 1.00 0.00 C ATOM 373 CD1 LEU A 23 25.723 17.087 4.099 1.00 0.00 C ATOM 374 CD2 LEU A 23 27.430 18.160 2.625 1.00 0.00 C ATOM 0 H LEU A 23 24.721 19.684 0.048 1.00 0.00 H new ATOM 0 HA LEU A 23 25.285 17.180 1.609 1.00 0.00 H new ATOM 0 HB2 LEU A 23 25.408 20.021 2.311 1.00 0.00 H new ATOM 0 HB3 LEU A 23 24.212 19.208 3.300 1.00 0.00 H new ATOM 0 HG LEU A 23 26.488 19.088 4.324 1.00 0.00 H new ATOM 0 HD11 LEU A 23 26.518 16.636 4.692 1.00 0.00 H new ATOM 0 HD12 LEU A 23 24.855 17.267 4.733 1.00 0.00 H new ATOM 0 HD13 LEU A 23 25.447 16.412 3.289 1.00 0.00 H new ATOM 0 HD21 LEU A 23 28.226 17.710 3.218 1.00 0.00 H new ATOM 0 HD22 LEU A 23 27.155 17.485 1.815 1.00 0.00 H new ATOM 0 HD23 LEU A 23 27.778 19.105 2.208 1.00 0.00 H new ATOM 386 N CYS A 24 22.653 17.643 0.361 1.00 0.00 N ATOM 387 CA CYS A 24 21.190 17.360 0.329 1.00 0.00 C ATOM 388 C CYS A 24 20.964 15.868 0.091 1.00 0.00 C ATOM 389 O CYS A 24 19.949 15.458 -0.436 1.00 0.00 O ATOM 390 CB CYS A 24 20.528 18.159 -0.791 1.00 0.00 C ATOM 391 SG CYS A 24 21.010 19.899 -0.657 1.00 0.00 S ATOM 0 H CYS A 24 23.116 17.662 -0.548 1.00 0.00 H new ATOM 0 HA CYS A 24 20.750 17.650 1.283 1.00 0.00 H new ATOM 0 HB2 CYS A 24 20.826 17.762 -1.761 1.00 0.00 H new ATOM 0 HB3 CYS A 24 19.444 18.065 -0.728 1.00 0.00 H new ATOM 396 N THR A 25 21.900 15.051 0.487 1.00 0.00 N ATOM 397 CA THR A 25 21.744 13.584 0.299 1.00 0.00 C ATOM 398 C THR A 25 21.506 12.947 1.667 1.00 0.00 C ATOM 399 O THR A 25 21.255 13.628 2.639 1.00 0.00 O ATOM 400 CB THR A 25 23.019 13.015 -0.321 1.00 0.00 C ATOM 401 OG1 THR A 25 24.009 14.033 -0.382 1.00 0.00 O ATOM 402 CG2 THR A 25 22.720 12.507 -1.731 1.00 0.00 C ATOM 0 H THR A 25 22.770 15.339 0.935 1.00 0.00 H new ATOM 0 HA THR A 25 20.903 13.373 -0.362 1.00 0.00 H new ATOM 0 HB THR A 25 23.383 12.189 0.290 1.00 0.00 H new ATOM 0 HG1 THR A 25 24.897 13.623 -0.444 1.00 0.00 H new ATOM 0 HG21 THR A 25 23.630 12.101 -2.172 1.00 0.00 H new ATOM 0 HG22 THR A 25 21.961 11.726 -1.683 1.00 0.00 H new ATOM 0 HG23 THR A 25 22.355 13.331 -2.345 1.00 0.00 H new ATOM 410 N GLU A 26 21.579 11.649 1.758 1.00 0.00 N ATOM 411 CA GLU A 26 21.351 10.993 3.075 1.00 0.00 C ATOM 412 C GLU A 26 19.965 11.380 3.592 1.00 0.00 C ATOM 413 O GLU A 26 19.656 11.210 4.756 1.00 0.00 O ATOM 414 CB GLU A 26 22.417 11.460 4.070 1.00 0.00 C ATOM 415 CG GLU A 26 23.802 11.070 3.552 1.00 0.00 C ATOM 416 CD GLU A 26 24.869 11.535 4.546 1.00 0.00 C ATOM 417 OE1 GLU A 26 25.133 12.726 4.587 1.00 0.00 O ATOM 418 OE2 GLU A 26 25.402 10.693 5.250 1.00 0.00 O ATOM 0 H GLU A 26 21.785 11.018 0.984 1.00 0.00 H new ATOM 0 HA GLU A 26 21.413 9.911 2.963 1.00 0.00 H new ATOM 0 HB2 GLU A 26 22.357 12.540 4.203 1.00 0.00 H new ATOM 0 HB3 GLU A 26 22.241 11.008 5.046 1.00 0.00 H new ATOM 0 HG2 GLU A 26 23.861 9.990 3.418 1.00 0.00 H new ATOM 0 HG3 GLU A 26 23.977 11.522 2.576 1.00 0.00 H new ATOM 425 N LEU A 27 19.124 11.895 2.734 1.00 0.00 N ATOM 426 CA LEU A 27 17.759 12.286 3.174 1.00 0.00 C ATOM 427 C LEU A 27 16.998 11.046 3.617 1.00 0.00 C ATOM 428 O LEU A 27 16.015 11.108 4.329 1.00 0.00 O ATOM 429 CB LEU A 27 17.027 12.934 2.011 1.00 0.00 C ATOM 430 CG LEU A 27 17.591 14.338 1.688 1.00 0.00 C ATOM 431 CD1 LEU A 27 16.428 15.320 1.533 1.00 0.00 C ATOM 432 CD2 LEU A 27 18.524 14.850 2.792 1.00 0.00 C ATOM 0 H LEU A 27 19.326 12.061 1.748 1.00 0.00 H new ATOM 0 HA LEU A 27 17.828 12.989 4.004 1.00 0.00 H new ATOM 0 HB2 LEU A 27 17.109 12.298 1.130 1.00 0.00 H new ATOM 0 HB3 LEU A 27 15.966 13.014 2.248 1.00 0.00 H new ATOM 0 HG LEU A 27 18.167 14.262 0.765 1.00 0.00 H new ATOM 0 HD11 LEU A 27 16.817 16.312 1.305 1.00 0.00 H new ATOM 0 HD12 LEU A 27 15.779 14.990 0.722 1.00 0.00 H new ATOM 0 HD13 LEU A 27 15.858 15.358 2.461 1.00 0.00 H new ATOM 0 HD21 LEU A 27 18.897 15.839 2.524 1.00 0.00 H new ATOM 0 HD22 LEU A 27 17.976 14.912 3.732 1.00 0.00 H new ATOM 0 HD23 LEU A 27 19.364 14.164 2.906 1.00 0.00 H new ATOM 444 N THR A 28 17.466 9.925 3.182 1.00 0.00 N ATOM 445 CA THR A 28 16.828 8.623 3.533 1.00 0.00 C ATOM 446 C THR A 28 15.620 8.369 2.629 1.00 0.00 C ATOM 447 O THR A 28 14.704 9.162 2.553 1.00 0.00 O ATOM 448 CB THR A 28 16.391 8.621 4.991 1.00 0.00 C ATOM 449 OG1 THR A 28 17.102 9.614 5.716 1.00 0.00 O ATOM 450 CG2 THR A 28 16.679 7.247 5.595 1.00 0.00 C ATOM 0 H THR A 28 18.286 9.845 2.581 1.00 0.00 H new ATOM 0 HA THR A 28 17.559 7.828 3.385 1.00 0.00 H new ATOM 0 HB THR A 28 15.324 8.838 5.048 1.00 0.00 H new ATOM 0 HG1 THR A 28 16.533 10.403 5.835 1.00 0.00 H new ATOM 0 HG21 THR A 28 16.369 7.237 6.640 1.00 0.00 H new ATOM 0 HG22 THR A 28 16.127 6.485 5.045 1.00 0.00 H new ATOM 0 HG23 THR A 28 17.747 7.038 5.531 1.00 0.00 H new ATOM 458 N VAL A 29 15.620 7.258 1.941 1.00 0.00 N ATOM 459 CA VAL A 29 14.483 6.929 1.035 1.00 0.00 C ATOM 460 C VAL A 29 14.261 5.414 1.046 1.00 0.00 C ATOM 461 O VAL A 29 15.158 4.651 1.345 1.00 0.00 O ATOM 462 CB VAL A 29 14.813 7.404 -0.386 1.00 0.00 C ATOM 463 CG1 VAL A 29 14.903 8.931 -0.405 1.00 0.00 C ATOM 464 CG2 VAL A 29 16.149 6.819 -0.829 1.00 0.00 C ATOM 0 H VAL A 29 16.364 6.561 1.969 1.00 0.00 H new ATOM 0 HA VAL A 29 13.576 7.429 1.374 1.00 0.00 H new ATOM 0 HB VAL A 29 14.028 7.072 -1.065 1.00 0.00 H new ATOM 0 HG11 VAL A 29 15.137 9.269 -1.414 1.00 0.00 H new ATOM 0 HG12 VAL A 29 13.949 9.356 -0.092 1.00 0.00 H new ATOM 0 HG13 VAL A 29 15.687 9.258 0.278 1.00 0.00 H new ATOM 0 HG21 VAL A 29 16.378 7.160 -1.839 1.00 0.00 H new ATOM 0 HG22 VAL A 29 16.934 7.148 -0.148 1.00 0.00 H new ATOM 0 HG23 VAL A 29 16.091 5.731 -0.818 1.00 0.00 H new ATOM 474 N THR A 30 13.072 4.968 0.736 1.00 0.00 N ATOM 475 CA THR A 30 12.803 3.499 0.746 1.00 0.00 C ATOM 476 C THR A 30 13.804 2.782 -0.162 1.00 0.00 C ATOM 477 O THR A 30 13.891 3.051 -1.343 1.00 0.00 O ATOM 478 CB THR A 30 11.381 3.225 0.255 1.00 0.00 C ATOM 479 OG1 THR A 30 10.575 4.374 0.474 1.00 0.00 O ATOM 480 CG2 THR A 30 10.795 2.038 1.020 1.00 0.00 C ATOM 0 H THR A 30 12.278 5.554 0.477 1.00 0.00 H new ATOM 0 HA THR A 30 12.909 3.128 1.765 1.00 0.00 H new ATOM 0 HB THR A 30 11.404 2.994 -0.810 1.00 0.00 H new ATOM 0 HG1 THR A 30 9.727 4.276 -0.008 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.781 1.844 0.669 1.00 0.00 H new ATOM 0 HG22 THR A 30 11.413 1.156 0.852 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.772 2.267 2.085 1.00 0.00 H new ATOM 488 N ASP A 31 14.562 1.868 0.383 1.00 0.00 N ATOM 489 CA ASP A 31 15.558 1.130 -0.446 1.00 0.00 C ATOM 490 C ASP A 31 14.829 0.236 -1.453 1.00 0.00 C ATOM 491 O ASP A 31 14.458 -0.879 -1.148 1.00 0.00 O ATOM 492 CB ASP A 31 16.429 0.260 0.462 1.00 0.00 C ATOM 493 CG ASP A 31 17.652 -0.230 -0.317 1.00 0.00 C ATOM 494 OD1 ASP A 31 17.592 -0.225 -1.536 1.00 0.00 O ATOM 495 OD2 ASP A 31 18.625 -0.599 0.316 1.00 0.00 O ATOM 0 H ASP A 31 14.534 1.601 1.367 1.00 0.00 H new ATOM 0 HA ASP A 31 16.183 1.845 -0.981 1.00 0.00 H new ATOM 0 HB2 ASP A 31 16.746 0.831 1.335 1.00 0.00 H new ATOM 0 HB3 ASP A 31 15.854 -0.590 0.829 1.00 0.00 H new ATOM 500 N ILE A 32 14.619 0.713 -2.651 1.00 0.00 N ATOM 501 CA ILE A 32 13.908 -0.119 -3.668 1.00 0.00 C ATOM 502 C ILE A 32 14.906 -1.037 -4.387 1.00 0.00 C ATOM 503 O ILE A 32 14.775 -1.302 -5.565 1.00 0.00 O ATOM 504 CB ILE A 32 13.243 0.803 -4.703 1.00 0.00 C ATOM 505 CG1 ILE A 32 14.330 1.495 -5.533 1.00 0.00 C ATOM 506 CG2 ILE A 32 12.415 1.861 -3.975 1.00 0.00 C ATOM 507 CD1 ILE A 32 14.183 1.093 -7.004 1.00 0.00 C ATOM 0 H ILE A 32 14.907 1.638 -2.969 1.00 0.00 H new ATOM 0 HA ILE A 32 13.154 -0.726 -3.167 1.00 0.00 H new ATOM 0 HB ILE A 32 12.597 0.217 -5.357 1.00 0.00 H new ATOM 0 HG12 ILE A 32 14.247 2.577 -5.431 1.00 0.00 H new ATOM 0 HG13 ILE A 32 15.317 1.215 -5.165 1.00 0.00 H new ATOM 0 HG21 ILE A 32 11.941 2.518 -4.705 1.00 0.00 H new ATOM 0 HG22 ILE A 32 11.648 1.373 -3.374 1.00 0.00 H new ATOM 0 HG23 ILE A 32 13.065 2.448 -3.326 1.00 0.00 H new ATOM 0 HD11 ILE A 32 14.956 1.585 -7.595 1.00 0.00 H new ATOM 0 HD12 ILE A 32 14.287 0.012 -7.098 1.00 0.00 H new ATOM 0 HD13 ILE A 32 13.201 1.396 -7.367 1.00 0.00 H new ATOM 519 N PHE A 33 15.907 -1.517 -3.699 1.00 0.00 N ATOM 520 CA PHE A 33 16.904 -2.404 -4.365 1.00 0.00 C ATOM 521 C PHE A 33 17.222 -3.618 -3.472 1.00 0.00 C ATOM 522 O PHE A 33 18.340 -4.092 -3.451 1.00 0.00 O ATOM 523 CB PHE A 33 18.187 -1.607 -4.611 1.00 0.00 C ATOM 524 CG PHE A 33 17.926 -0.562 -5.670 1.00 0.00 C ATOM 525 CD1 PHE A 33 17.984 -0.909 -7.026 1.00 0.00 C ATOM 526 CD2 PHE A 33 17.619 0.752 -5.297 1.00 0.00 C ATOM 527 CE1 PHE A 33 17.738 0.058 -8.007 1.00 0.00 C ATOM 528 CE2 PHE A 33 17.371 1.720 -6.279 1.00 0.00 C ATOM 529 CZ PHE A 33 17.431 1.374 -7.635 1.00 0.00 C ATOM 0 H PHE A 33 16.077 -1.335 -2.710 1.00 0.00 H new ATOM 0 HA PHE A 33 16.493 -2.761 -5.309 1.00 0.00 H new ATOM 0 HB2 PHE A 33 18.517 -1.132 -3.687 1.00 0.00 H new ATOM 0 HB3 PHE A 33 18.988 -2.274 -4.930 1.00 0.00 H new ATOM 0 HD1 PHE A 33 18.219 -1.923 -7.314 1.00 0.00 H new ATOM 0 HD2 PHE A 33 17.573 1.020 -4.252 1.00 0.00 H new ATOM 0 HE1 PHE A 33 17.785 -0.210 -9.052 1.00 0.00 H new ATOM 0 HE2 PHE A 33 17.133 2.733 -5.990 1.00 0.00 H new ATOM 0 HZ PHE A 33 17.241 2.120 -8.393 1.00 0.00 H new ATOM 539 N ALA A 34 16.263 -4.132 -2.730 1.00 0.00 N ATOM 540 CA ALA A 34 16.556 -5.306 -1.860 1.00 0.00 C ATOM 541 C ALA A 34 15.404 -6.307 -1.952 1.00 0.00 C ATOM 542 O ALA A 34 14.800 -6.667 -0.962 1.00 0.00 O ATOM 543 CB ALA A 34 16.714 -4.839 -0.412 1.00 0.00 C ATOM 0 H ALA A 34 15.303 -3.789 -2.694 1.00 0.00 H new ATOM 0 HA ALA A 34 17.479 -5.784 -2.190 1.00 0.00 H new ATOM 0 HB1 ALA A 34 16.928 -5.697 0.226 1.00 0.00 H new ATOM 0 HB2 ALA A 34 17.535 -4.125 -0.348 1.00 0.00 H new ATOM 0 HB3 ALA A 34 15.791 -4.362 -0.081 1.00 0.00 H new ATOM 549 N ALA A 35 15.095 -6.760 -3.135 1.00 0.00 N ATOM 550 CA ALA A 35 13.983 -7.737 -3.298 1.00 0.00 C ATOM 551 C ALA A 35 13.869 -8.127 -4.771 1.00 0.00 C ATOM 552 O ALA A 35 13.039 -7.614 -5.496 1.00 0.00 O ATOM 553 CB ALA A 35 12.671 -7.101 -2.833 1.00 0.00 C ATOM 0 H ALA A 35 15.567 -6.494 -3.999 1.00 0.00 H new ATOM 0 HA ALA A 35 14.184 -8.625 -2.699 1.00 0.00 H new ATOM 0 HB1 ALA A 35 11.857 -7.816 -2.953 1.00 0.00 H new ATOM 0 HB2 ALA A 35 12.755 -6.819 -1.783 1.00 0.00 H new ATOM 0 HB3 ALA A 35 12.465 -6.214 -3.431 1.00 0.00 H new ATOM 559 N SER A 36 14.701 -9.024 -5.222 1.00 0.00 N ATOM 560 CA SER A 36 14.644 -9.441 -6.650 1.00 0.00 C ATOM 561 C SER A 36 14.921 -8.227 -7.538 1.00 0.00 C ATOM 562 O SER A 36 14.234 -7.986 -8.511 1.00 0.00 O ATOM 563 CB SER A 36 13.258 -10.004 -6.968 1.00 0.00 C ATOM 564 OG SER A 36 12.514 -10.132 -5.766 1.00 0.00 O ATOM 0 H SER A 36 15.418 -9.486 -4.663 1.00 0.00 H new ATOM 0 HA SER A 36 15.393 -10.211 -6.836 1.00 0.00 H new ATOM 0 HB2 SER A 36 12.737 -9.346 -7.663 1.00 0.00 H new ATOM 0 HB3 SER A 36 13.351 -10.974 -7.456 1.00 0.00 H new ATOM 0 HG SER A 36 11.625 -10.491 -5.968 1.00 0.00 H new ATOM 570 N LYS A 37 15.922 -7.457 -7.206 1.00 0.00 N ATOM 571 CA LYS A 37 16.249 -6.260 -8.013 1.00 0.00 C ATOM 572 C LYS A 37 16.835 -6.677 -9.367 1.00 0.00 C ATOM 573 O LYS A 37 17.119 -5.855 -10.213 1.00 0.00 O ATOM 574 CB LYS A 37 17.254 -5.415 -7.223 1.00 0.00 C ATOM 575 CG LYS A 37 18.691 -5.855 -7.529 1.00 0.00 C ATOM 576 CD LYS A 37 19.673 -4.945 -6.790 1.00 0.00 C ATOM 577 CE LYS A 37 20.677 -4.361 -7.786 1.00 0.00 C ATOM 578 NZ LYS A 37 22.051 -4.819 -7.433 1.00 0.00 N ATOM 0 H LYS A 37 16.529 -7.613 -6.401 1.00 0.00 H new ATOM 0 HA LYS A 37 15.349 -5.677 -8.209 1.00 0.00 H new ATOM 0 HB2 LYS A 37 17.129 -4.362 -7.476 1.00 0.00 H new ATOM 0 HB3 LYS A 37 17.058 -5.512 -6.155 1.00 0.00 H new ATOM 0 HG2 LYS A 37 18.838 -6.891 -7.223 1.00 0.00 H new ATOM 0 HG3 LYS A 37 18.875 -5.811 -8.602 1.00 0.00 H new ATOM 0 HD2 LYS A 37 19.134 -4.142 -6.288 1.00 0.00 H new ATOM 0 HD3 LYS A 37 20.197 -5.508 -6.018 1.00 0.00 H new ATOM 0 HE2 LYS A 37 20.426 -4.676 -8.799 1.00 0.00 H new ATOM 0 HE3 LYS A 37 20.630 -3.272 -7.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 22.692 -4.643 -8.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 22.387 -4.297 -6.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 22.034 -5.837 -7.221 1.00 0.00 H new ATOM 592 N ASN A 38 17.016 -7.949 -9.572 1.00 0.00 N ATOM 593 CA ASN A 38 17.581 -8.425 -10.865 1.00 0.00 C ATOM 594 C ASN A 38 16.457 -8.565 -11.893 1.00 0.00 C ATOM 595 O ASN A 38 16.642 -9.117 -12.959 1.00 0.00 O ATOM 596 CB ASN A 38 18.254 -9.784 -10.658 1.00 0.00 C ATOM 597 CG ASN A 38 19.611 -9.794 -11.364 1.00 0.00 C ATOM 598 OD1 ASN A 38 20.638 -9.935 -10.731 1.00 0.00 O ATOM 599 ND2 ASN A 38 19.659 -9.646 -12.660 1.00 0.00 N ATOM 0 H ASN A 38 16.797 -8.683 -8.899 1.00 0.00 H new ATOM 0 HA ASN A 38 18.316 -7.706 -11.226 1.00 0.00 H new ATOM 0 HB2 ASN A 38 18.384 -9.979 -9.594 1.00 0.00 H new ATOM 0 HB3 ASN A 38 17.621 -10.579 -11.052 1.00 0.00 H new ATOM 0 HD21 ASN A 38 20.559 -9.649 -13.141 1.00 0.00 H new ATOM 0 HD22 ASN A 38 18.797 -9.528 -13.192 1.00 0.00 H new ATOM 606 N THR A 39 15.291 -8.064 -11.582 1.00 0.00 N ATOM 607 CA THR A 39 14.157 -8.167 -12.542 1.00 0.00 C ATOM 608 C THR A 39 14.355 -7.159 -13.675 1.00 0.00 C ATOM 609 O THR A 39 15.303 -6.399 -13.685 1.00 0.00 O ATOM 610 CB THR A 39 12.845 -7.864 -11.813 1.00 0.00 C ATOM 611 OG1 THR A 39 11.765 -7.943 -12.733 1.00 0.00 O ATOM 612 CG2 THR A 39 12.905 -6.458 -11.213 1.00 0.00 C ATOM 0 H THR A 39 15.076 -7.589 -10.705 1.00 0.00 H new ATOM 0 HA THR A 39 14.120 -9.175 -12.955 1.00 0.00 H new ATOM 0 HB THR A 39 12.696 -8.591 -11.014 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.924 -8.055 -12.242 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.971 -6.244 -10.694 1.00 0.00 H new ATOM 0 HG22 THR A 39 13.734 -6.399 -10.507 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.054 -5.729 -12.009 1.00 0.00 H new ATOM 620 N THR A 40 13.467 -7.146 -14.632 1.00 0.00 N ATOM 621 CA THR A 40 13.605 -6.186 -15.764 1.00 0.00 C ATOM 622 C THR A 40 13.875 -4.785 -15.215 1.00 0.00 C ATOM 623 O THR A 40 13.337 -4.391 -14.199 1.00 0.00 O ATOM 624 CB THR A 40 12.313 -6.174 -16.584 1.00 0.00 C ATOM 625 OG1 THR A 40 11.608 -7.389 -16.371 1.00 0.00 O ATOM 626 CG2 THR A 40 12.652 -6.032 -18.068 1.00 0.00 C ATOM 0 H THR A 40 12.653 -7.758 -14.679 1.00 0.00 H new ATOM 0 HA THR A 40 14.435 -6.492 -16.400 1.00 0.00 H new ATOM 0 HB THR A 40 11.692 -5.334 -16.273 1.00 0.00 H new ATOM 0 HG1 THR A 40 10.779 -7.382 -16.894 1.00 0.00 H new ATOM 0 HG21 THR A 40 11.732 -6.023 -18.652 1.00 0.00 H new ATOM 0 HG22 THR A 40 13.193 -5.100 -18.230 1.00 0.00 H new ATOM 0 HG23 THR A 40 13.273 -6.871 -18.381 1.00 0.00 H new ATOM 634 N GLU A 41 14.705 -4.028 -15.879 1.00 0.00 N ATOM 635 CA GLU A 41 15.004 -2.651 -15.394 1.00 0.00 C ATOM 636 C GLU A 41 13.701 -1.863 -15.270 1.00 0.00 C ATOM 637 O GLU A 41 13.472 -1.170 -14.299 1.00 0.00 O ATOM 638 CB GLU A 41 15.933 -1.950 -16.388 1.00 0.00 C ATOM 639 CG GLU A 41 17.208 -2.776 -16.566 1.00 0.00 C ATOM 640 CD GLU A 41 17.997 -2.785 -15.257 1.00 0.00 C ATOM 641 OE1 GLU A 41 17.569 -3.459 -14.333 1.00 0.00 O ATOM 642 OE2 GLU A 41 19.017 -2.119 -15.198 1.00 0.00 O ATOM 0 H GLU A 41 15.188 -4.303 -16.734 1.00 0.00 H new ATOM 0 HA GLU A 41 15.491 -2.705 -14.420 1.00 0.00 H new ATOM 0 HB2 GLU A 41 15.430 -1.827 -17.347 1.00 0.00 H new ATOM 0 HB3 GLU A 41 16.181 -0.952 -16.028 1.00 0.00 H new ATOM 0 HG2 GLU A 41 16.956 -3.795 -16.858 1.00 0.00 H new ATOM 0 HG3 GLU A 41 17.817 -2.357 -17.367 1.00 0.00 H new ATOM 649 N LYS A 42 12.840 -1.965 -16.246 1.00 0.00 N ATOM 650 CA LYS A 42 11.551 -1.222 -16.180 1.00 0.00 C ATOM 651 C LYS A 42 10.876 -1.493 -14.835 1.00 0.00 C ATOM 652 O LYS A 42 10.198 -0.646 -14.287 1.00 0.00 O ATOM 653 CB LYS A 42 10.635 -1.686 -17.315 1.00 0.00 C ATOM 654 CG LYS A 42 10.144 -3.108 -17.031 1.00 0.00 C ATOM 655 CD LYS A 42 8.837 -3.050 -16.239 1.00 0.00 C ATOM 656 CE LYS A 42 7.941 -4.224 -16.643 1.00 0.00 C ATOM 657 NZ LYS A 42 7.743 -4.214 -18.120 1.00 0.00 N ATOM 0 H LYS A 42 12.974 -2.530 -17.085 1.00 0.00 H new ATOM 0 HA LYS A 42 11.741 -0.154 -16.282 1.00 0.00 H new ATOM 0 HB2 LYS A 42 9.786 -1.009 -17.410 1.00 0.00 H new ATOM 0 HB3 LYS A 42 11.172 -1.659 -18.263 1.00 0.00 H new ATOM 0 HG2 LYS A 42 9.990 -3.644 -17.967 1.00 0.00 H new ATOM 0 HG3 LYS A 42 10.898 -3.658 -16.468 1.00 0.00 H new ATOM 0 HD2 LYS A 42 9.046 -3.089 -15.170 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.326 -2.106 -16.430 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.395 -5.165 -16.333 1.00 0.00 H new ATOM 0 HE3 LYS A 42 6.979 -4.152 -16.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.771 -4.509 -18.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 7.905 -3.254 -18.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 8.415 -4.872 -18.565 1.00 0.00 H new ATOM 671 N GLU A 43 11.054 -2.669 -14.297 1.00 0.00 N ATOM 672 CA GLU A 43 10.419 -2.991 -12.987 1.00 0.00 C ATOM 673 C GLU A 43 11.100 -2.196 -11.874 1.00 0.00 C ATOM 674 O GLU A 43 10.447 -1.611 -11.033 1.00 0.00 O ATOM 675 CB GLU A 43 10.557 -4.488 -12.705 1.00 0.00 C ATOM 676 CG GLU A 43 9.905 -4.815 -11.359 1.00 0.00 C ATOM 677 CD GLU A 43 9.582 -6.309 -11.297 1.00 0.00 C ATOM 678 OE1 GLU A 43 9.594 -6.942 -12.340 1.00 0.00 O ATOM 679 OE2 GLU A 43 9.327 -6.794 -10.207 1.00 0.00 O ATOM 0 H GLU A 43 11.610 -3.419 -14.707 1.00 0.00 H new ATOM 0 HA GLU A 43 9.363 -2.725 -13.025 1.00 0.00 H new ATOM 0 HB2 GLU A 43 10.084 -5.064 -13.500 1.00 0.00 H new ATOM 0 HB3 GLU A 43 11.610 -4.771 -12.690 1.00 0.00 H new ATOM 0 HG2 GLU A 43 10.575 -4.543 -10.543 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.994 -4.230 -11.233 1.00 0.00 H new ATOM 686 N THR A 44 12.405 -2.161 -11.856 1.00 0.00 N ATOM 687 CA THR A 44 13.097 -1.388 -10.783 1.00 0.00 C ATOM 688 C THR A 44 12.671 0.069 -10.888 1.00 0.00 C ATOM 689 O THR A 44 12.633 0.791 -9.920 1.00 0.00 O ATOM 690 CB THR A 44 14.628 -1.501 -10.903 1.00 0.00 C ATOM 691 OG1 THR A 44 15.216 -1.141 -9.661 1.00 0.00 O ATOM 692 CG2 THR A 44 15.146 -0.562 -11.995 1.00 0.00 C ATOM 0 H THR A 44 13.016 -2.627 -12.527 1.00 0.00 H new ATOM 0 HA THR A 44 12.816 -1.798 -9.813 1.00 0.00 H new ATOM 0 HB THR A 44 14.892 -2.526 -11.163 1.00 0.00 H new ATOM 0 HG1 THR A 44 16.075 -0.697 -9.822 1.00 0.00 H new ATOM 0 HG21 THR A 44 16.230 -0.652 -12.069 1.00 0.00 H new ATOM 0 HG22 THR A 44 14.694 -0.830 -12.950 1.00 0.00 H new ATOM 0 HG23 THR A 44 14.884 0.466 -11.745 1.00 0.00 H new ATOM 700 N PHE A 45 12.353 0.496 -12.070 1.00 0.00 N ATOM 701 CA PHE A 45 11.918 1.904 -12.278 1.00 0.00 C ATOM 702 C PHE A 45 10.532 2.109 -11.669 1.00 0.00 C ATOM 703 O PHE A 45 10.186 3.191 -11.239 1.00 0.00 O ATOM 704 CB PHE A 45 11.880 2.206 -13.769 1.00 0.00 C ATOM 705 CG PHE A 45 13.317 2.307 -14.287 1.00 0.00 C ATOM 706 CD1 PHE A 45 14.312 2.942 -13.512 1.00 0.00 C ATOM 707 CD2 PHE A 45 13.671 1.754 -15.532 1.00 0.00 C ATOM 708 CE1 PHE A 45 15.626 3.019 -13.979 1.00 0.00 C ATOM 709 CE2 PHE A 45 14.991 1.836 -15.990 1.00 0.00 C ATOM 710 CZ PHE A 45 15.965 2.467 -15.214 1.00 0.00 C ATOM 0 H PHE A 45 12.375 -0.075 -12.915 1.00 0.00 H new ATOM 0 HA PHE A 45 12.622 2.579 -11.792 1.00 0.00 H new ATOM 0 HB2 PHE A 45 11.341 1.421 -14.300 1.00 0.00 H new ATOM 0 HB3 PHE A 45 11.346 3.138 -13.952 1.00 0.00 H new ATOM 0 HD1 PHE A 45 14.056 3.370 -12.554 1.00 0.00 H new ATOM 0 HD2 PHE A 45 12.921 1.265 -16.136 1.00 0.00 H new ATOM 0 HE1 PHE A 45 16.382 3.507 -13.382 1.00 0.00 H new ATOM 0 HE2 PHE A 45 15.257 1.410 -16.946 1.00 0.00 H new ATOM 0 HZ PHE A 45 16.983 2.528 -15.571 1.00 0.00 H new ATOM 720 N CYS A 46 9.730 1.079 -11.636 1.00 0.00 N ATOM 721 CA CYS A 46 8.364 1.224 -11.059 1.00 0.00 C ATOM 722 C CYS A 46 8.460 1.434 -9.546 1.00 0.00 C ATOM 723 O CYS A 46 7.889 2.356 -8.999 1.00 0.00 O ATOM 724 CB CYS A 46 7.557 -0.038 -11.340 1.00 0.00 C ATOM 725 SG CYS A 46 6.035 0.394 -12.219 1.00 0.00 S ATOM 0 H CYS A 46 9.961 0.148 -11.982 1.00 0.00 H new ATOM 0 HA CYS A 46 7.873 2.084 -11.514 1.00 0.00 H new ATOM 0 HB2 CYS A 46 8.148 -0.734 -11.936 1.00 0.00 H new ATOM 0 HB3 CYS A 46 7.317 -0.544 -10.405 1.00 0.00 H new ATOM 730 N ARG A 47 9.181 0.585 -8.867 1.00 0.00 N ATOM 731 CA ARG A 47 9.319 0.730 -7.390 1.00 0.00 C ATOM 732 C ARG A 47 10.196 1.942 -7.057 1.00 0.00 C ATOM 733 O ARG A 47 10.012 2.597 -6.050 1.00 0.00 O ATOM 734 CB ARG A 47 9.971 -0.531 -6.820 1.00 0.00 C ATOM 735 CG ARG A 47 9.878 -0.507 -5.293 1.00 0.00 C ATOM 736 CD ARG A 47 10.410 -1.825 -4.728 1.00 0.00 C ATOM 737 NE ARG A 47 9.271 -2.749 -4.466 1.00 0.00 N ATOM 738 CZ ARG A 47 8.874 -3.576 -5.393 1.00 0.00 C ATOM 739 NH1 ARG A 47 8.059 -3.167 -6.327 1.00 0.00 N ATOM 740 NH2 ARG A 47 9.293 -4.812 -5.387 1.00 0.00 N ATOM 0 H ARG A 47 9.682 -0.205 -9.273 1.00 0.00 H new ATOM 0 HA ARG A 47 8.331 0.873 -6.953 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.474 -1.419 -7.211 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.014 -0.586 -7.131 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.453 0.329 -4.896 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.844 -0.358 -4.983 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.107 -2.280 -5.432 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.963 -1.641 -3.807 1.00 0.00 H new ATOM 0 HE ARG A 47 8.801 -2.735 -3.561 1.00 0.00 H new ATOM 0 HH11 ARG A 47 7.733 -2.201 -6.332 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.749 -3.814 -7.052 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.931 -5.131 -4.658 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.983 -5.459 -6.112 1.00 0.00 H new ATOM 754 N ALA A 48 11.161 2.226 -7.885 1.00 0.00 N ATOM 755 CA ALA A 48 12.074 3.383 -7.602 1.00 0.00 C ATOM 756 C ALA A 48 11.331 4.695 -7.777 1.00 0.00 C ATOM 757 O ALA A 48 11.525 5.647 -7.051 1.00 0.00 O ATOM 758 CB ALA A 48 13.295 3.366 -8.536 1.00 0.00 C ATOM 0 H ALA A 48 11.362 1.713 -8.744 1.00 0.00 H new ATOM 0 HA ALA A 48 12.417 3.290 -6.572 1.00 0.00 H new ATOM 0 HB1 ALA A 48 13.939 4.215 -8.308 1.00 0.00 H new ATOM 0 HB2 ALA A 48 13.851 2.440 -8.391 1.00 0.00 H new ATOM 0 HB3 ALA A 48 12.962 3.431 -9.572 1.00 0.00 H new ATOM 764 N ALA A 49 10.488 4.747 -8.739 1.00 0.00 N ATOM 765 CA ALA A 49 9.717 5.993 -8.990 1.00 0.00 C ATOM 766 C ALA A 49 8.706 6.195 -7.865 1.00 0.00 C ATOM 767 O ALA A 49 8.350 7.306 -7.528 1.00 0.00 O ATOM 768 CB ALA A 49 8.987 5.882 -10.330 1.00 0.00 C ATOM 0 H ALA A 49 10.288 3.978 -9.378 1.00 0.00 H new ATOM 0 HA ALA A 49 10.397 6.845 -9.023 1.00 0.00 H new ATOM 0 HB1 ALA A 49 8.422 6.796 -10.513 1.00 0.00 H new ATOM 0 HB2 ALA A 49 9.714 5.738 -11.129 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.304 5.033 -10.303 1.00 0.00 H new ATOM 774 N THR A 50 8.242 5.129 -7.283 1.00 0.00 N ATOM 775 CA THR A 50 7.255 5.259 -6.181 1.00 0.00 C ATOM 776 C THR A 50 7.922 5.913 -4.969 1.00 0.00 C ATOM 777 O THR A 50 7.340 6.752 -4.310 1.00 0.00 O ATOM 778 CB THR A 50 6.740 3.871 -5.792 1.00 0.00 C ATOM 779 OG1 THR A 50 6.599 3.077 -6.962 1.00 0.00 O ATOM 780 CG2 THR A 50 5.384 4.003 -5.096 1.00 0.00 C ATOM 0 H THR A 50 8.504 4.173 -7.523 1.00 0.00 H new ATOM 0 HA THR A 50 6.421 5.878 -6.513 1.00 0.00 H new ATOM 0 HB THR A 50 7.448 3.397 -5.113 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.107 2.258 -6.744 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.019 3.014 -4.820 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.493 4.613 -4.199 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.672 4.477 -5.772 1.00 0.00 H new ATOM 788 N VAL A 51 9.133 5.530 -4.655 1.00 0.00 N ATOM 789 CA VAL A 51 9.809 6.134 -3.472 1.00 0.00 C ATOM 790 C VAL A 51 10.181 7.586 -3.738 1.00 0.00 C ATOM 791 O VAL A 51 9.904 8.438 -2.935 1.00 0.00 O ATOM 792 CB VAL A 51 11.067 5.340 -3.096 1.00 0.00 C ATOM 793 CG1 VAL A 51 12.228 5.724 -4.016 1.00 0.00 C ATOM 794 CG2 VAL A 51 11.449 5.673 -1.654 1.00 0.00 C ATOM 0 H VAL A 51 9.677 4.832 -5.162 1.00 0.00 H new ATOM 0 HA VAL A 51 9.106 6.098 -2.640 1.00 0.00 H new ATOM 0 HB VAL A 51 10.863 4.274 -3.201 1.00 0.00 H new ATOM 0 HG11 VAL A 51 13.115 5.154 -3.740 1.00 0.00 H new ATOM 0 HG12 VAL A 51 11.962 5.502 -5.050 1.00 0.00 H new ATOM 0 HG13 VAL A 51 12.435 6.789 -3.915 1.00 0.00 H new ATOM 0 HG21 VAL A 51 12.342 5.114 -1.376 1.00 0.00 H new ATOM 0 HG22 VAL A 51 11.648 6.741 -1.568 1.00 0.00 H new ATOM 0 HG23 VAL A 51 10.629 5.402 -0.989 1.00 0.00 H new ATOM 804 N LEU A 52 10.814 7.894 -4.837 1.00 0.00 N ATOM 805 CA LEU A 52 11.169 9.320 -5.061 1.00 0.00 C ATOM 806 C LEU A 52 9.885 10.144 -5.032 1.00 0.00 C ATOM 807 O LEU A 52 9.885 11.299 -4.668 1.00 0.00 O ATOM 808 CB LEU A 52 11.890 9.500 -6.402 1.00 0.00 C ATOM 809 CG LEU A 52 10.878 9.470 -7.550 1.00 0.00 C ATOM 810 CD1 LEU A 52 10.250 10.856 -7.716 1.00 0.00 C ATOM 811 CD2 LEU A 52 11.594 9.084 -8.843 1.00 0.00 C ATOM 0 H LEU A 52 11.093 7.241 -5.569 1.00 0.00 H new ATOM 0 HA LEU A 52 11.848 9.656 -4.277 1.00 0.00 H new ATOM 0 HB2 LEU A 52 12.432 10.446 -6.409 1.00 0.00 H new ATOM 0 HB3 LEU A 52 12.628 8.709 -6.536 1.00 0.00 H new ATOM 0 HG LEU A 52 10.098 8.741 -7.328 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.530 10.833 -8.534 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.743 11.139 -6.793 1.00 0.00 H new ATOM 0 HD13 LEU A 52 11.030 11.584 -7.939 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.877 9.061 -9.663 1.00 0.00 H new ATOM 0 HD22 LEU A 52 12.372 9.816 -9.061 1.00 0.00 H new ATOM 0 HD23 LEU A 52 12.045 8.099 -8.729 1.00 0.00 H new ATOM 823 N ARG A 53 8.786 9.554 -5.415 1.00 0.00 N ATOM 824 CA ARG A 53 7.501 10.302 -5.402 1.00 0.00 C ATOM 825 C ARG A 53 7.144 10.662 -3.959 1.00 0.00 C ATOM 826 O ARG A 53 6.849 11.799 -3.647 1.00 0.00 O ATOM 827 CB ARG A 53 6.396 9.427 -5.996 1.00 0.00 C ATOM 828 CG ARG A 53 5.042 10.116 -5.813 1.00 0.00 C ATOM 829 CD ARG A 53 4.050 9.582 -6.848 1.00 0.00 C ATOM 830 NE ARG A 53 2.888 10.508 -6.946 1.00 0.00 N ATOM 831 CZ ARG A 53 2.084 10.440 -7.971 1.00 0.00 C ATOM 832 NH1 ARG A 53 1.694 9.278 -8.418 1.00 0.00 N ATOM 833 NH2 ARG A 53 1.670 11.534 -8.551 1.00 0.00 N ATOM 0 H ARG A 53 8.724 8.588 -5.736 1.00 0.00 H new ATOM 0 HA ARG A 53 7.600 11.212 -5.994 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.586 9.252 -7.055 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.388 8.452 -5.508 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.664 9.937 -4.806 1.00 0.00 H new ATOM 0 HG3 ARG A 53 5.154 11.195 -5.924 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.536 9.488 -7.819 1.00 0.00 H new ATOM 0 HD3 ARG A 53 3.712 8.586 -6.563 1.00 0.00 H new ATOM 0 HE ARG A 53 2.721 11.196 -6.211 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.018 8.423 -7.966 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.065 9.225 -9.219 1.00 0.00 H new ATOM 0 HH21 ARG A 53 1.975 12.443 -8.203 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.041 11.480 -9.352 1.00 0.00 H new ATOM 847 N GLN A 54 7.164 9.702 -3.069 1.00 0.00 N ATOM 848 CA GLN A 54 6.820 9.999 -1.645 1.00 0.00 C ATOM 849 C GLN A 54 7.922 10.835 -0.985 1.00 0.00 C ATOM 850 O GLN A 54 7.690 11.568 -0.044 1.00 0.00 O ATOM 851 CB GLN A 54 6.633 8.683 -0.877 1.00 0.00 C ATOM 852 CG GLN A 54 8.001 8.066 -0.576 1.00 0.00 C ATOM 853 CD GLN A 54 8.344 8.276 0.900 1.00 0.00 C ATOM 854 OE1 GLN A 54 7.475 8.544 1.705 1.00 0.00 O ATOM 855 NE2 GLN A 54 9.584 8.163 1.291 1.00 0.00 N ATOM 0 H GLN A 54 7.402 8.730 -3.265 1.00 0.00 H new ATOM 0 HA GLN A 54 5.893 10.571 -1.621 1.00 0.00 H new ATOM 0 HB2 GLN A 54 6.093 8.866 0.052 1.00 0.00 H new ATOM 0 HB3 GLN A 54 6.031 7.990 -1.464 1.00 0.00 H new ATOM 0 HG2 GLN A 54 7.991 7.001 -0.810 1.00 0.00 H new ATOM 0 HG3 GLN A 54 8.764 8.523 -1.206 1.00 0.00 H new ATOM 0 HE21 GLN A 54 10.314 7.938 0.615 1.00 0.00 H new ATOM 0 HE22 GLN A 54 9.824 8.300 2.273 1.00 0.00 H new ATOM 864 N PHE A 55 9.113 10.691 -1.451 1.00 0.00 N ATOM 865 CA PHE A 55 10.271 11.420 -0.859 1.00 0.00 C ATOM 866 C PHE A 55 10.203 12.924 -1.164 1.00 0.00 C ATOM 867 O PHE A 55 10.294 13.743 -0.272 1.00 0.00 O ATOM 868 CB PHE A 55 11.571 10.835 -1.448 1.00 0.00 C ATOM 869 CG PHE A 55 12.735 11.728 -1.112 1.00 0.00 C ATOM 870 CD1 PHE A 55 12.993 12.072 0.217 1.00 0.00 C ATOM 871 CD2 PHE A 55 13.556 12.215 -2.136 1.00 0.00 C ATOM 872 CE1 PHE A 55 14.073 12.907 0.524 1.00 0.00 C ATOM 873 CE2 PHE A 55 14.635 13.049 -1.829 1.00 0.00 C ATOM 874 CZ PHE A 55 14.894 13.395 -0.501 1.00 0.00 C ATOM 0 H PHE A 55 9.350 10.086 -2.237 1.00 0.00 H new ATOM 0 HA PHE A 55 10.247 11.297 0.224 1.00 0.00 H new ATOM 0 HB2 PHE A 55 11.743 9.835 -1.050 1.00 0.00 H new ATOM 0 HB3 PHE A 55 11.478 10.736 -2.530 1.00 0.00 H new ATOM 0 HD1 PHE A 55 12.360 11.694 1.006 1.00 0.00 H new ATOM 0 HD2 PHE A 55 13.356 11.946 -3.163 1.00 0.00 H new ATOM 0 HE1 PHE A 55 14.274 13.175 1.551 1.00 0.00 H new ATOM 0 HE2 PHE A 55 15.268 13.426 -2.619 1.00 0.00 H new ATOM 0 HZ PHE A 55 15.728 14.039 -0.264 1.00 0.00 H new ATOM 884 N TYR A 56 10.047 13.302 -2.403 1.00 0.00 N ATOM 885 CA TYR A 56 9.982 14.763 -2.723 1.00 0.00 C ATOM 886 C TYR A 56 8.632 15.357 -2.254 1.00 0.00 C ATOM 887 O TYR A 56 8.595 16.456 -1.736 1.00 0.00 O ATOM 888 CB TYR A 56 10.201 15.013 -4.238 1.00 0.00 C ATOM 889 CG TYR A 56 8.902 14.922 -5.006 1.00 0.00 C ATOM 890 CD1 TYR A 56 7.994 15.984 -4.962 1.00 0.00 C ATOM 891 CD2 TYR A 56 8.609 13.781 -5.763 1.00 0.00 C ATOM 892 CE1 TYR A 56 6.791 15.909 -5.671 1.00 0.00 C ATOM 893 CE2 TYR A 56 7.403 13.705 -6.472 1.00 0.00 C ATOM 894 CZ TYR A 56 6.494 14.768 -6.425 1.00 0.00 C ATOM 895 OH TYR A 56 5.307 14.692 -7.123 1.00 0.00 O ATOM 0 H TYR A 56 9.962 12.674 -3.202 1.00 0.00 H new ATOM 0 HA TYR A 56 10.786 15.267 -2.186 1.00 0.00 H new ATOM 0 HB2 TYR A 56 10.644 15.998 -4.385 1.00 0.00 H new ATOM 0 HB3 TYR A 56 10.909 14.283 -4.630 1.00 0.00 H new ATOM 0 HD1 TYR A 56 8.222 16.864 -4.379 1.00 0.00 H new ATOM 0 HD2 TYR A 56 9.311 12.961 -5.800 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.091 16.731 -5.637 1.00 0.00 H new ATOM 0 HE2 TYR A 56 7.175 12.825 -7.055 1.00 0.00 H new ATOM 0 HH TYR A 56 5.259 13.834 -7.594 1.00 0.00 H new ATOM 905 N SER A 57 7.510 14.669 -2.437 1.00 0.00 N ATOM 906 CA SER A 57 6.205 15.252 -2.004 1.00 0.00 C ATOM 907 C SER A 57 6.079 15.272 -0.474 1.00 0.00 C ATOM 908 O SER A 57 5.536 16.195 0.098 1.00 0.00 O ATOM 909 CB SER A 57 5.064 14.417 -2.589 1.00 0.00 C ATOM 910 OG SER A 57 5.357 14.096 -3.940 1.00 0.00 O ATOM 0 H SER A 57 7.455 13.744 -2.862 1.00 0.00 H new ATOM 0 HA SER A 57 6.154 16.279 -2.365 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.932 13.504 -2.008 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.127 14.971 -2.531 1.00 0.00 H new ATOM 0 HG SER A 57 5.670 14.899 -4.406 1.00 0.00 H new ATOM 916 N HIS A 58 6.539 14.247 0.187 1.00 0.00 N ATOM 917 CA HIS A 58 6.403 14.192 1.673 1.00 0.00 C ATOM 918 C HIS A 58 7.318 15.213 2.352 1.00 0.00 C ATOM 919 O HIS A 58 6.908 15.916 3.254 1.00 0.00 O ATOM 920 CB HIS A 58 6.762 12.788 2.165 1.00 0.00 C ATOM 921 CG HIS A 58 6.194 12.584 3.542 1.00 0.00 C ATOM 922 ND1 HIS A 58 5.442 11.468 3.874 1.00 0.00 N ATOM 923 CD2 HIS A 58 6.258 13.345 4.682 1.00 0.00 C ATOM 924 CE1 HIS A 58 5.084 11.589 5.166 1.00 0.00 C ATOM 925 NE2 HIS A 58 5.556 12.716 5.707 1.00 0.00 N ATOM 0 H HIS A 58 7.004 13.444 -0.236 1.00 0.00 H new ATOM 0 HA HIS A 58 5.371 14.430 1.930 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.365 12.038 1.481 1.00 0.00 H new ATOM 0 HB3 HIS A 58 7.845 12.662 2.183 1.00 0.00 H new ATOM 0 HD2 HIS A 58 6.775 14.289 4.771 1.00 0.00 H new ATOM 0 HE1 HIS A 58 4.488 10.864 5.700 1.00 0.00 H new ATOM 0 HE2 HIS A 58 5.429 13.045 6.664 1.00 0.00 H new ATOM 933 N HIS A 59 8.553 15.296 1.945 1.00 0.00 N ATOM 934 CA HIS A 59 9.469 16.282 2.618 1.00 0.00 C ATOM 935 C HIS A 59 9.064 17.699 2.239 1.00 0.00 C ATOM 936 O HIS A 59 8.885 18.533 3.104 1.00 0.00 O ATOM 937 CB HIS A 59 10.954 16.064 2.253 1.00 0.00 C ATOM 938 CG HIS A 59 11.530 14.996 3.142 1.00 0.00 C ATOM 939 ND1 HIS A 59 11.753 15.205 4.494 1.00 0.00 N ATOM 940 CD2 HIS A 59 11.936 13.709 2.891 1.00 0.00 C ATOM 941 CE1 HIS A 59 12.271 14.072 5.001 1.00 0.00 C ATOM 942 NE2 HIS A 59 12.404 13.128 4.066 1.00 0.00 N ATOM 0 H HIS A 59 8.968 14.743 1.195 1.00 0.00 H new ATOM 0 HA HIS A 59 9.369 16.127 3.692 1.00 0.00 H new ATOM 0 HB2 HIS A 59 11.045 15.771 1.207 1.00 0.00 H new ATOM 0 HB3 HIS A 59 11.511 16.993 2.373 1.00 0.00 H new ATOM 0 HD2 HIS A 59 11.898 13.221 1.928 1.00 0.00 H new ATOM 0 HE1 HIS A 59 12.546 13.942 6.037 1.00 0.00 H new ATOM 0 HE2 HIS A 59 12.770 12.184 4.187 1.00 0.00 H new ATOM 950 N GLU A 60 8.908 17.972 0.960 1.00 0.00 N ATOM 951 CA GLU A 60 8.507 19.332 0.500 1.00 0.00 C ATOM 952 C GLU A 60 8.942 20.369 1.529 1.00 0.00 C ATOM 953 O GLU A 60 8.135 20.981 2.196 1.00 0.00 O ATOM 954 CB GLU A 60 7.001 19.340 0.322 1.00 0.00 C ATOM 955 CG GLU A 60 6.678 18.908 -1.107 1.00 0.00 C ATOM 956 CD GLU A 60 5.431 19.645 -1.598 1.00 0.00 C ATOM 957 OE1 GLU A 60 4.459 19.681 -0.861 1.00 0.00 O ATOM 958 OE2 GLU A 60 5.468 20.159 -2.704 1.00 0.00 O ATOM 0 H GLU A 60 9.045 17.295 0.210 1.00 0.00 H new ATOM 0 HA GLU A 60 8.987 19.580 -0.447 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.532 18.664 1.037 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.602 20.336 0.516 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.522 19.124 -1.762 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.514 17.831 -1.143 1.00 0.00 H new ATOM 965 N LYS A 61 10.233 20.513 1.666 1.00 0.00 N ATOM 966 CA LYS A 61 10.835 21.453 2.660 1.00 0.00 C ATOM 967 C LYS A 61 11.133 20.668 3.944 1.00 0.00 C ATOM 968 O LYS A 61 12.164 20.035 4.050 1.00 0.00 O ATOM 969 CB LYS A 61 9.901 22.634 2.946 1.00 0.00 C ATOM 970 CG LYS A 61 9.529 23.305 1.623 1.00 0.00 C ATOM 971 CD LYS A 61 8.446 24.358 1.866 1.00 0.00 C ATOM 972 CE LYS A 61 8.840 25.235 3.056 1.00 0.00 C ATOM 973 NZ LYS A 61 7.713 26.147 3.397 1.00 0.00 N ATOM 0 H LYS A 61 10.919 20.001 1.111 1.00 0.00 H new ATOM 0 HA LYS A 61 11.757 21.870 2.256 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.003 22.289 3.459 1.00 0.00 H new ATOM 0 HB3 LYS A 61 10.390 23.350 3.607 1.00 0.00 H new ATOM 0 HG2 LYS A 61 10.409 23.770 1.180 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.172 22.559 0.913 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.316 24.973 0.975 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.490 23.872 2.060 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.089 24.611 3.914 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.731 25.815 2.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.981 26.743 4.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.496 26.751 2.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.874 25.585 3.645 1.00 0.00 H new ATOM 987 N ASP A 62 10.243 20.684 4.904 1.00 0.00 N ATOM 988 CA ASP A 62 10.476 19.921 6.169 1.00 0.00 C ATOM 989 C ASP A 62 11.958 19.954 6.544 1.00 0.00 C ATOM 990 O ASP A 62 12.517 18.972 6.989 1.00 0.00 O ATOM 991 CB ASP A 62 10.040 18.469 5.974 1.00 0.00 C ATOM 992 CG ASP A 62 9.480 17.921 7.288 1.00 0.00 C ATOM 993 OD1 ASP A 62 9.581 18.617 8.287 1.00 0.00 O ATOM 994 OD2 ASP A 62 8.961 16.819 7.275 1.00 0.00 O ATOM 0 H ASP A 62 9.361 21.195 4.866 1.00 0.00 H new ATOM 0 HA ASP A 62 9.896 20.380 6.969 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.284 18.408 5.191 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.887 17.865 5.648 1.00 0.00 H new ATOM 999 N THR A 63 12.602 21.072 6.359 1.00 0.00 N ATOM 1000 CA THR A 63 14.051 21.156 6.695 1.00 0.00 C ATOM 1001 C THR A 63 14.828 20.216 5.770 1.00 0.00 C ATOM 1002 O THR A 63 15.569 19.362 6.214 1.00 0.00 O ATOM 1003 CB THR A 63 14.264 20.736 8.151 1.00 0.00 C ATOM 1004 OG1 THR A 63 13.417 21.507 8.993 1.00 0.00 O ATOM 1005 CG2 THR A 63 15.725 20.968 8.543 1.00 0.00 C ATOM 0 H THR A 63 12.190 21.929 5.991 1.00 0.00 H new ATOM 0 HA THR A 63 14.404 22.179 6.563 1.00 0.00 H new ATOM 0 HB THR A 63 14.024 19.679 8.263 1.00 0.00 H new ATOM 0 HG1 THR A 63 13.551 21.238 9.926 1.00 0.00 H new ATOM 0 HG21 THR A 63 15.875 20.669 9.580 1.00 0.00 H new ATOM 0 HG22 THR A 63 16.373 20.376 7.897 1.00 0.00 H new ATOM 0 HG23 THR A 63 15.968 22.025 8.432 1.00 0.00 H new ATOM 1013 N ARG A 64 14.657 20.367 4.486 1.00 0.00 N ATOM 1014 CA ARG A 64 15.375 19.486 3.525 1.00 0.00 C ATOM 1015 C ARG A 64 16.585 20.231 2.961 1.00 0.00 C ATOM 1016 O ARG A 64 16.505 20.886 1.940 1.00 0.00 O ATOM 1017 CB ARG A 64 14.436 19.101 2.381 1.00 0.00 C ATOM 1018 CG ARG A 64 15.243 18.443 1.259 1.00 0.00 C ATOM 1019 CD ARG A 64 14.315 18.088 0.097 1.00 0.00 C ATOM 1020 NE ARG A 64 14.925 18.546 -1.182 1.00 0.00 N ATOM 1021 CZ ARG A 64 16.105 18.115 -1.535 1.00 0.00 C ATOM 1022 NH1 ARG A 64 16.388 16.843 -1.452 1.00 0.00 N ATOM 1023 NH2 ARG A 64 17.004 18.955 -1.969 1.00 0.00 N ATOM 0 H ARG A 64 14.048 21.066 4.060 1.00 0.00 H new ATOM 0 HA ARG A 64 15.707 18.584 4.039 1.00 0.00 H new ATOM 0 HB2 ARG A 64 13.668 18.416 2.741 1.00 0.00 H new ATOM 0 HB3 ARG A 64 13.923 19.986 2.004 1.00 0.00 H new ATOM 0 HG2 ARG A 64 16.027 19.119 0.917 1.00 0.00 H new ATOM 0 HG3 ARG A 64 15.736 17.545 1.631 1.00 0.00 H new ATOM 0 HD2 ARG A 64 14.147 17.011 0.067 1.00 0.00 H new ATOM 0 HD3 ARG A 64 13.342 18.559 0.238 1.00 0.00 H new ATOM 0 HE ARG A 64 14.420 19.197 -1.783 1.00 0.00 H new ATOM 0 HH11 ARG A 64 15.687 16.186 -1.111 1.00 0.00 H new ATOM 0 HH12 ARG A 64 17.311 16.507 -1.728 1.00 0.00 H new ATOM 0 HH21 ARG A 64 16.785 19.949 -2.032 1.00 0.00 H new ATOM 0 HH22 ARG A 64 17.926 18.618 -2.245 1.00 0.00 H new ATOM 1037 N CYS A 65 17.705 20.133 3.617 1.00 0.00 N ATOM 1038 CA CYS A 65 18.925 20.829 3.121 1.00 0.00 C ATOM 1039 C CYS A 65 18.758 22.344 3.261 1.00 0.00 C ATOM 1040 O CYS A 65 19.416 23.113 2.590 1.00 0.00 O ATOM 1041 CB CYS A 65 19.140 20.479 1.647 1.00 0.00 C ATOM 1042 SG CYS A 65 20.911 20.289 1.323 1.00 0.00 S ATOM 0 H CYS A 65 17.830 19.600 4.478 1.00 0.00 H new ATOM 0 HA CYS A 65 19.785 20.508 3.709 1.00 0.00 H new ATOM 0 HB2 CYS A 65 18.614 19.557 1.401 1.00 0.00 H new ATOM 0 HB3 CYS A 65 18.725 21.262 1.012 1.00 0.00 H new ATOM 1047 N LEU A 66 17.887 22.786 4.129 1.00 0.00 N ATOM 1048 CA LEU A 66 17.693 24.252 4.304 1.00 0.00 C ATOM 1049 C LEU A 66 18.799 24.803 5.208 1.00 0.00 C ATOM 1050 O LEU A 66 18.647 24.875 6.411 1.00 0.00 O ATOM 1051 CB LEU A 66 16.328 24.510 4.948 1.00 0.00 C ATOM 1052 CG LEU A 66 15.251 24.590 3.861 1.00 0.00 C ATOM 1053 CD1 LEU A 66 15.428 23.434 2.873 1.00 0.00 C ATOM 1054 CD2 LEU A 66 13.867 24.498 4.507 1.00 0.00 C ATOM 0 H LEU A 66 17.304 22.196 4.722 1.00 0.00 H new ATOM 0 HA LEU A 66 17.735 24.747 3.334 1.00 0.00 H new ATOM 0 HB2 LEU A 66 16.090 23.712 5.651 1.00 0.00 H new ATOM 0 HB3 LEU A 66 16.353 25.439 5.517 1.00 0.00 H new ATOM 0 HG LEU A 66 15.345 25.537 3.330 1.00 0.00 H new ATOM 0 HD11 LEU A 66 14.660 23.494 2.101 1.00 0.00 H new ATOM 0 HD12 LEU A 66 16.413 23.498 2.411 1.00 0.00 H new ATOM 0 HD13 LEU A 66 15.337 22.486 3.402 1.00 0.00 H new ATOM 0 HD21 LEU A 66 13.100 24.555 3.734 1.00 0.00 H new ATOM 0 HD22 LEU A 66 13.776 23.551 5.039 1.00 0.00 H new ATOM 0 HD23 LEU A 66 13.737 25.322 5.208 1.00 0.00 H new ATOM 1066 N GLY A 67 19.917 25.182 4.645 1.00 0.00 N ATOM 1067 CA GLY A 67 21.024 25.711 5.488 1.00 0.00 C ATOM 1068 C GLY A 67 21.674 26.942 4.835 1.00 0.00 C ATOM 1069 O GLY A 67 22.176 27.815 5.514 1.00 0.00 O ATOM 0 H GLY A 67 20.108 25.148 3.644 1.00 0.00 H new ATOM 0 HA2 GLY A 67 20.640 25.977 6.473 1.00 0.00 H new ATOM 0 HA3 GLY A 67 21.775 24.935 5.637 1.00 0.00 H new ATOM 1073 N ALA A 68 21.693 27.014 3.527 1.00 0.00 N ATOM 1074 CA ALA A 68 22.336 28.179 2.844 1.00 0.00 C ATOM 1075 C ALA A 68 21.468 29.446 2.945 1.00 0.00 C ATOM 1076 O ALA A 68 21.693 30.406 2.235 1.00 0.00 O ATOM 1077 CB ALA A 68 22.554 27.837 1.368 1.00 0.00 C ATOM 0 H ALA A 68 21.291 26.315 2.902 1.00 0.00 H new ATOM 0 HA ALA A 68 23.287 28.379 3.338 1.00 0.00 H new ATOM 0 HB1 ALA A 68 23.023 28.682 0.864 1.00 0.00 H new ATOM 0 HB2 ALA A 68 23.201 26.963 1.289 1.00 0.00 H new ATOM 0 HB3 ALA A 68 21.594 27.622 0.899 1.00 0.00 H new ATOM 1083 N THR A 69 20.494 29.471 3.816 1.00 0.00 N ATOM 1084 CA THR A 69 19.642 30.695 3.952 1.00 0.00 C ATOM 1085 C THR A 69 18.613 30.757 2.839 1.00 0.00 C ATOM 1086 O THR A 69 18.242 29.758 2.260 1.00 0.00 O ATOM 1087 CB THR A 69 20.524 31.945 3.901 1.00 0.00 C ATOM 1088 OG1 THR A 69 21.841 31.608 4.313 1.00 0.00 O ATOM 1089 CG2 THR A 69 19.952 33.013 4.834 1.00 0.00 C ATOM 0 H THR A 69 20.250 28.701 4.439 1.00 0.00 H new ATOM 0 HA THR A 69 19.121 30.650 4.909 1.00 0.00 H new ATOM 0 HB THR A 69 20.549 32.333 2.883 1.00 0.00 H new ATOM 0 HG1 THR A 69 22.397 31.438 3.524 1.00 0.00 H new ATOM 0 HG21 THR A 69 20.581 33.903 4.797 1.00 0.00 H new ATOM 0 HG22 THR A 69 18.941 33.269 4.517 1.00 0.00 H new ATOM 0 HG23 THR A 69 19.926 32.629 5.854 1.00 0.00 H new ATOM 1097 N ALA A 70 18.156 31.934 2.523 1.00 0.00 N ATOM 1098 CA ALA A 70 17.168 32.062 1.427 1.00 0.00 C ATOM 1099 C ALA A 70 17.700 31.259 0.248 1.00 0.00 C ATOM 1100 O ALA A 70 16.956 30.768 -0.576 1.00 0.00 O ATOM 1101 CB ALA A 70 17.016 33.533 1.030 1.00 0.00 C ATOM 0 H ALA A 70 18.424 32.808 2.976 1.00 0.00 H new ATOM 0 HA ALA A 70 16.191 31.693 1.740 1.00 0.00 H new ATOM 0 HB1 ALA A 70 16.288 33.619 0.223 1.00 0.00 H new ATOM 0 HB2 ALA A 70 16.674 34.109 1.890 1.00 0.00 H new ATOM 0 HB3 ALA A 70 17.978 33.920 0.693 1.00 0.00 H new ATOM 1107 N GLN A 71 18.997 31.108 0.177 1.00 0.00 N ATOM 1108 CA GLN A 71 19.583 30.315 -0.940 1.00 0.00 C ATOM 1109 C GLN A 71 19.103 28.875 -0.786 1.00 0.00 C ATOM 1110 O GLN A 71 18.585 28.273 -1.705 1.00 0.00 O ATOM 1111 CB GLN A 71 21.110 30.362 -0.863 1.00 0.00 C ATOM 1112 CG GLN A 71 21.704 29.623 -2.066 1.00 0.00 C ATOM 1113 CD GLN A 71 21.277 30.323 -3.357 1.00 0.00 C ATOM 1114 OE1 GLN A 71 22.012 31.123 -3.900 1.00 0.00 O ATOM 1115 NE2 GLN A 71 20.110 30.054 -3.875 1.00 0.00 N ATOM 0 H GLN A 71 19.669 31.496 0.839 1.00 0.00 H new ATOM 0 HA GLN A 71 19.273 30.722 -1.902 1.00 0.00 H new ATOM 0 HB2 GLN A 71 21.453 31.397 -0.853 1.00 0.00 H new ATOM 0 HB3 GLN A 71 21.452 29.903 0.065 1.00 0.00 H new ATOM 0 HG2 GLN A 71 22.791 29.603 -1.993 1.00 0.00 H new ATOM 0 HG3 GLN A 71 21.366 28.587 -2.073 1.00 0.00 H new ATOM 0 HE21 GLN A 71 19.492 29.382 -3.419 1.00 0.00 H new ATOM 0 HE22 GLN A 71 19.815 30.515 -4.736 1.00 0.00 H new ATOM 1124 N GLN A 72 19.256 28.336 0.389 1.00 0.00 N ATOM 1125 CA GLN A 72 18.795 26.948 0.649 1.00 0.00 C ATOM 1126 C GLN A 72 17.349 26.802 0.160 1.00 0.00 C ATOM 1127 O GLN A 72 16.915 25.735 -0.230 1.00 0.00 O ATOM 1128 CB GLN A 72 18.895 26.675 2.161 1.00 0.00 C ATOM 1129 CG GLN A 72 17.651 27.208 2.859 1.00 0.00 C ATOM 1130 CD GLN A 72 18.037 27.868 4.185 1.00 0.00 C ATOM 1131 OE1 GLN A 72 18.838 27.344 4.928 1.00 0.00 O ATOM 1132 NE2 GLN A 72 17.492 29.007 4.513 1.00 0.00 N ATOM 0 H GLN A 72 19.685 28.803 1.188 1.00 0.00 H new ATOM 0 HA GLN A 72 19.414 26.226 0.117 1.00 0.00 H new ATOM 0 HB2 GLN A 72 18.996 25.605 2.342 1.00 0.00 H new ATOM 0 HB3 GLN A 72 19.786 27.152 2.569 1.00 0.00 H new ATOM 0 HG2 GLN A 72 17.145 27.930 2.218 1.00 0.00 H new ATOM 0 HG3 GLN A 72 16.948 26.394 3.039 1.00 0.00 H new ATOM 0 HE21 GLN A 72 16.818 29.449 3.888 1.00 0.00 H new ATOM 0 HE22 GLN A 72 17.740 29.456 5.395 1.00 0.00 H new ATOM 1141 N PHE A 73 16.598 27.871 0.194 1.00 0.00 N ATOM 1142 CA PHE A 73 15.176 27.811 -0.250 1.00 0.00 C ATOM 1143 C PHE A 73 15.095 27.626 -1.770 1.00 0.00 C ATOM 1144 O PHE A 73 14.305 26.844 -2.261 1.00 0.00 O ATOM 1145 CB PHE A 73 14.469 29.110 0.151 1.00 0.00 C ATOM 1146 CG PHE A 73 13.015 29.033 -0.247 1.00 0.00 C ATOM 1147 CD1 PHE A 73 12.077 28.479 0.633 1.00 0.00 C ATOM 1148 CD2 PHE A 73 12.604 29.510 -1.497 1.00 0.00 C ATOM 1149 CE1 PHE A 73 10.729 28.406 0.263 1.00 0.00 C ATOM 1150 CE2 PHE A 73 11.256 29.436 -1.866 1.00 0.00 C ATOM 1151 CZ PHE A 73 10.318 28.884 -0.985 1.00 0.00 C ATOM 0 H PHE A 73 16.911 28.788 0.512 1.00 0.00 H new ATOM 0 HA PHE A 73 14.689 26.961 0.228 1.00 0.00 H new ATOM 0 HB2 PHE A 73 14.555 29.267 1.226 1.00 0.00 H new ATOM 0 HB3 PHE A 73 14.946 29.961 -0.335 1.00 0.00 H new ATOM 0 HD1 PHE A 73 12.394 28.108 1.597 1.00 0.00 H new ATOM 0 HD2 PHE A 73 13.327 29.935 -2.177 1.00 0.00 H new ATOM 0 HE1 PHE A 73 10.006 27.980 0.942 1.00 0.00 H new ATOM 0 HE2 PHE A 73 10.939 29.805 -2.830 1.00 0.00 H new ATOM 0 HZ PHE A 73 9.278 28.828 -1.269 1.00 0.00 H new ATOM 1161 N HIS A 74 15.885 28.343 -2.523 1.00 0.00 N ATOM 1162 CA HIS A 74 15.825 28.206 -4.006 1.00 0.00 C ATOM 1163 C HIS A 74 16.330 26.840 -4.434 1.00 0.00 C ATOM 1164 O HIS A 74 15.751 26.175 -5.268 1.00 0.00 O ATOM 1165 CB HIS A 74 16.681 29.294 -4.653 1.00 0.00 C ATOM 1166 CG HIS A 74 16.311 29.426 -6.104 1.00 0.00 C ATOM 1167 ND1 HIS A 74 15.217 30.166 -6.525 1.00 0.00 N ATOM 1168 CD2 HIS A 74 16.880 28.916 -7.241 1.00 0.00 C ATOM 1169 CE1 HIS A 74 15.164 30.080 -7.867 1.00 0.00 C ATOM 1170 NE2 HIS A 74 16.155 29.330 -8.356 1.00 0.00 N ATOM 0 H HIS A 74 16.568 29.016 -2.176 1.00 0.00 H new ATOM 0 HA HIS A 74 14.789 28.313 -4.328 1.00 0.00 H new ATOM 0 HB2 HIS A 74 16.530 30.244 -4.140 1.00 0.00 H new ATOM 0 HB3 HIS A 74 17.738 29.045 -4.557 1.00 0.00 H new ATOM 0 HD2 HIS A 74 17.758 28.288 -7.269 1.00 0.00 H new ATOM 0 HE1 HIS A 74 14.411 30.559 -8.475 1.00 0.00 H new ATOM 0 HE2 HIS A 74 16.341 29.108 -9.334 1.00 0.00 H new ATOM 1178 N ARG A 75 17.400 26.432 -3.864 1.00 0.00 N ATOM 1179 CA ARG A 75 17.981 25.105 -4.208 1.00 0.00 C ATOM 1180 C ARG A 75 17.018 24.006 -3.760 1.00 0.00 C ATOM 1181 O ARG A 75 16.941 22.950 -4.355 1.00 0.00 O ATOM 1182 CB ARG A 75 19.324 24.931 -3.495 1.00 0.00 C ATOM 1183 CG ARG A 75 20.389 24.511 -4.509 1.00 0.00 C ATOM 1184 CD ARG A 75 21.353 23.517 -3.857 1.00 0.00 C ATOM 1185 NE ARG A 75 22.749 24.028 -3.978 1.00 0.00 N ATOM 1186 CZ ARG A 75 23.698 23.242 -4.411 1.00 0.00 C ATOM 1187 NH1 ARG A 75 23.626 21.956 -4.205 1.00 0.00 N ATOM 1188 NH2 ARG A 75 24.718 23.744 -5.051 1.00 0.00 N ATOM 0 H ARG A 75 17.917 26.959 -3.160 1.00 0.00 H new ATOM 0 HA ARG A 75 18.136 25.041 -5.285 1.00 0.00 H new ATOM 0 HB2 ARG A 75 19.615 25.864 -3.012 1.00 0.00 H new ATOM 0 HB3 ARG A 75 19.237 24.179 -2.711 1.00 0.00 H new ATOM 0 HG2 ARG A 75 19.917 24.057 -5.381 1.00 0.00 H new ATOM 0 HG3 ARG A 75 20.936 25.386 -4.861 1.00 0.00 H new ATOM 0 HD2 ARG A 75 21.095 23.378 -2.807 1.00 0.00 H new ATOM 0 HD3 ARG A 75 21.268 22.542 -4.338 1.00 0.00 H new ATOM 0 HE ARG A 75 22.963 24.992 -3.722 1.00 0.00 H new ATOM 0 HH11 ARG A 75 22.828 21.563 -3.705 1.00 0.00 H new ATOM 0 HH12 ARG A 75 24.368 21.343 -4.544 1.00 0.00 H new ATOM 0 HH21 ARG A 75 24.774 24.750 -5.213 1.00 0.00 H new ATOM 0 HH22 ARG A 75 25.460 23.131 -5.390 1.00 0.00 H new ATOM 1202 N HIS A 76 16.283 24.250 -2.712 1.00 0.00 N ATOM 1203 CA HIS A 76 15.320 23.225 -2.218 1.00 0.00 C ATOM 1204 C HIS A 76 14.158 23.089 -3.208 1.00 0.00 C ATOM 1205 O HIS A 76 13.797 22.001 -3.606 1.00 0.00 O ATOM 1206 CB HIS A 76 14.783 23.647 -0.842 1.00 0.00 C ATOM 1207 CG HIS A 76 13.534 22.873 -0.518 1.00 0.00 C ATOM 1208 ND1 HIS A 76 13.415 21.514 -0.771 1.00 0.00 N ATOM 1209 CD2 HIS A 76 12.336 23.258 0.027 1.00 0.00 C ATOM 1210 CE1 HIS A 76 12.184 21.137 -0.382 1.00 0.00 C ATOM 1211 NE2 HIS A 76 11.484 22.161 0.112 1.00 0.00 N ATOM 0 H HIS A 76 16.307 25.117 -2.174 1.00 0.00 H new ATOM 0 HA HIS A 76 15.828 22.265 -2.128 1.00 0.00 H new ATOM 0 HB2 HIS A 76 15.539 23.470 -0.077 1.00 0.00 H new ATOM 0 HB3 HIS A 76 14.570 24.716 -0.838 1.00 0.00 H new ATOM 0 HD1 HIS A 76 14.130 20.911 -1.178 1.00 0.00 H new ATOM 0 HD2 HIS A 76 12.091 24.261 0.343 1.00 0.00 H new ATOM 0 HE1 HIS A 76 11.807 20.128 -0.460 1.00 0.00 H new ATOM 1219 N LYS A 77 13.561 24.182 -3.597 1.00 0.00 N ATOM 1220 CA LYS A 77 12.432 24.131 -4.532 1.00 0.00 C ATOM 1221 C LYS A 77 12.891 23.641 -5.909 1.00 0.00 C ATOM 1222 O LYS A 77 12.144 23.020 -6.637 1.00 0.00 O ATOM 1223 CB LYS A 77 11.901 25.548 -4.637 1.00 0.00 C ATOM 1224 CG LYS A 77 10.520 25.617 -4.001 1.00 0.00 C ATOM 1225 CD LYS A 77 9.918 27.006 -4.224 1.00 0.00 C ATOM 1226 CE LYS A 77 8.511 26.864 -4.809 1.00 0.00 C ATOM 1227 NZ LYS A 77 7.596 27.836 -4.145 1.00 0.00 N ATOM 0 H LYS A 77 13.823 25.120 -3.293 1.00 0.00 H new ATOM 0 HA LYS A 77 11.666 23.440 -4.180 1.00 0.00 H new ATOM 0 HB2 LYS A 77 12.579 26.240 -4.138 1.00 0.00 H new ATOM 0 HB3 LYS A 77 11.848 25.852 -5.682 1.00 0.00 H new ATOM 0 HG2 LYS A 77 9.871 24.855 -4.434 1.00 0.00 H new ATOM 0 HG3 LYS A 77 10.590 25.407 -2.934 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.878 27.552 -3.282 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.548 27.583 -4.901 1.00 0.00 H new ATOM 0 HE2 LYS A 77 8.533 27.044 -5.884 1.00 0.00 H new ATOM 0 HE3 LYS A 77 8.146 25.847 -4.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 6.640 27.740 -4.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 7.567 27.644 -3.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 7.942 28.804 -4.306 1.00 0.00 H new ATOM 1241 N GLN A 78 14.111 23.922 -6.275 1.00 0.00 N ATOM 1242 CA GLN A 78 14.610 23.484 -7.610 1.00 0.00 C ATOM 1243 C GLN A 78 14.787 21.963 -7.641 1.00 0.00 C ATOM 1244 O GLN A 78 14.423 21.310 -8.595 1.00 0.00 O ATOM 1245 CB GLN A 78 15.954 24.157 -7.892 1.00 0.00 C ATOM 1246 CG GLN A 78 16.518 23.634 -9.215 1.00 0.00 C ATOM 1247 CD GLN A 78 17.791 24.407 -9.568 1.00 0.00 C ATOM 1248 OE1 GLN A 78 17.765 25.295 -10.398 1.00 0.00 O ATOM 1249 NE2 GLN A 78 18.910 24.105 -8.972 1.00 0.00 N ATOM 0 H GLN A 78 14.785 24.436 -5.707 1.00 0.00 H new ATOM 0 HA GLN A 78 13.883 23.770 -8.371 1.00 0.00 H new ATOM 0 HB2 GLN A 78 15.828 25.239 -7.940 1.00 0.00 H new ATOM 0 HB3 GLN A 78 16.652 23.953 -7.080 1.00 0.00 H new ATOM 0 HG2 GLN A 78 16.737 22.569 -9.134 1.00 0.00 H new ATOM 0 HG3 GLN A 78 15.779 23.748 -10.008 1.00 0.00 H new ATOM 0 HE21 GLN A 78 18.932 23.360 -8.276 1.00 0.00 H new ATOM 0 HE22 GLN A 78 19.764 24.614 -9.202 1.00 0.00 H new ATOM 1258 N LEU A 79 15.354 21.397 -6.613 1.00 0.00 N ATOM 1259 CA LEU A 79 15.564 19.925 -6.594 1.00 0.00 C ATOM 1260 C LEU A 79 14.232 19.213 -6.431 1.00 0.00 C ATOM 1261 O LEU A 79 13.949 18.290 -7.140 1.00 0.00 O ATOM 1262 CB LEU A 79 16.502 19.543 -5.447 1.00 0.00 C ATOM 1263 CG LEU A 79 17.926 19.995 -5.779 1.00 0.00 C ATOM 1264 CD1 LEU A 79 18.545 20.672 -4.555 1.00 0.00 C ATOM 1265 CD2 LEU A 79 18.768 18.779 -6.170 1.00 0.00 C ATOM 0 H LEU A 79 15.681 21.892 -5.784 1.00 0.00 H new ATOM 0 HA LEU A 79 16.017 19.621 -7.538 1.00 0.00 H new ATOM 0 HB2 LEU A 79 16.168 20.009 -4.520 1.00 0.00 H new ATOM 0 HB3 LEU A 79 16.479 18.465 -5.288 1.00 0.00 H new ATOM 0 HG LEU A 79 17.899 20.701 -6.609 1.00 0.00 H new ATOM 0 HD11 LEU A 79 19.559 20.994 -4.791 1.00 0.00 H new ATOM 0 HD12 LEU A 79 17.945 21.538 -4.276 1.00 0.00 H new ATOM 0 HD13 LEU A 79 18.572 19.967 -3.724 1.00 0.00 H new ATOM 0 HD21 LEU A 79 19.782 19.100 -6.407 1.00 0.00 H new ATOM 0 HD22 LEU A 79 18.795 18.073 -5.340 1.00 0.00 H new ATOM 0 HD23 LEU A 79 18.327 18.297 -7.042 1.00 0.00 H new ATOM 1277 N ILE A 80 13.413 19.625 -5.504 1.00 0.00 N ATOM 1278 CA ILE A 80 12.096 18.942 -5.335 1.00 0.00 C ATOM 1279 C ILE A 80 11.240 19.185 -6.581 1.00 0.00 C ATOM 1280 O ILE A 80 10.415 18.370 -6.939 1.00 0.00 O ATOM 1281 CB ILE A 80 11.365 19.497 -4.109 1.00 0.00 C ATOM 1282 CG1 ILE A 80 12.105 19.106 -2.825 1.00 0.00 C ATOM 1283 CG2 ILE A 80 9.946 18.931 -4.065 1.00 0.00 C ATOM 1284 CD1 ILE A 80 12.641 17.675 -2.934 1.00 0.00 C ATOM 0 H ILE A 80 13.594 20.396 -4.861 1.00 0.00 H new ATOM 0 HA ILE A 80 12.264 17.874 -5.197 1.00 0.00 H new ATOM 0 HB ILE A 80 11.330 20.584 -4.182 1.00 0.00 H new ATOM 0 HG12 ILE A 80 12.929 19.797 -2.647 1.00 0.00 H new ATOM 0 HG13 ILE A 80 11.432 19.185 -1.971 1.00 0.00 H new ATOM 0 HG21 ILE A 80 9.424 19.325 -3.193 1.00 0.00 H new ATOM 0 HG22 ILE A 80 9.411 19.220 -4.969 1.00 0.00 H new ATOM 0 HG23 ILE A 80 9.990 17.844 -4.001 1.00 0.00 H new ATOM 0 HD11 ILE A 80 13.164 17.411 -2.015 1.00 0.00 H new ATOM 0 HD12 ILE A 80 11.811 16.986 -3.089 1.00 0.00 H new ATOM 0 HD13 ILE A 80 13.330 17.608 -3.776 1.00 0.00 H new ATOM 1296 N ARG A 81 11.427 20.293 -7.254 1.00 0.00 N ATOM 1297 CA ARG A 81 10.619 20.553 -8.479 1.00 0.00 C ATOM 1298 C ARG A 81 11.049 19.550 -9.534 1.00 0.00 C ATOM 1299 O ARG A 81 10.245 18.853 -10.122 1.00 0.00 O ATOM 1300 CB ARG A 81 10.888 21.968 -8.988 1.00 0.00 C ATOM 1301 CG ARG A 81 9.890 22.310 -10.095 1.00 0.00 C ATOM 1302 CD ARG A 81 9.592 23.811 -10.069 1.00 0.00 C ATOM 1303 NE ARG A 81 8.234 24.058 -10.630 1.00 0.00 N ATOM 1304 CZ ARG A 81 7.945 25.217 -11.154 1.00 0.00 C ATOM 1305 NH1 ARG A 81 7.600 26.212 -10.384 1.00 0.00 N ATOM 1306 NH2 ARG A 81 8.002 25.383 -12.447 1.00 0.00 N ATOM 0 H ARG A 81 12.098 21.021 -7.009 1.00 0.00 H new ATOM 0 HA ARG A 81 9.556 20.456 -8.260 1.00 0.00 H new ATOM 0 HB2 ARG A 81 10.799 22.683 -8.170 1.00 0.00 H new ATOM 0 HB3 ARG A 81 11.907 22.042 -9.367 1.00 0.00 H new ATOM 0 HG2 ARG A 81 10.296 22.026 -11.066 1.00 0.00 H new ATOM 0 HG3 ARG A 81 8.969 21.743 -9.957 1.00 0.00 H new ATOM 0 HD2 ARG A 81 9.649 24.186 -9.047 1.00 0.00 H new ATOM 0 HD3 ARG A 81 10.340 24.351 -10.649 1.00 0.00 H new ATOM 0 HE ARG A 81 7.530 23.320 -10.604 1.00 0.00 H new ATOM 0 HH11 ARG A 81 7.556 26.083 -9.373 1.00 0.00 H new ATOM 0 HH12 ARG A 81 7.374 27.119 -10.793 1.00 0.00 H new ATOM 0 HH21 ARG A 81 8.273 24.606 -13.050 1.00 0.00 H new ATOM 0 HH22 ARG A 81 7.776 26.290 -12.855 1.00 0.00 H new ATOM 1320 N PHE A 82 12.326 19.454 -9.749 1.00 0.00 N ATOM 1321 CA PHE A 82 12.854 18.489 -10.721 1.00 0.00 C ATOM 1322 C PHE A 82 12.596 17.083 -10.173 1.00 0.00 C ATOM 1323 O PHE A 82 12.419 16.139 -10.917 1.00 0.00 O ATOM 1324 CB PHE A 82 14.348 18.763 -10.888 1.00 0.00 C ATOM 1325 CG PHE A 82 14.558 19.722 -12.034 1.00 0.00 C ATOM 1326 CD1 PHE A 82 13.979 20.996 -11.995 1.00 0.00 C ATOM 1327 CD2 PHE A 82 15.331 19.339 -13.135 1.00 0.00 C ATOM 1328 CE1 PHE A 82 14.173 21.887 -13.058 1.00 0.00 C ATOM 1329 CE2 PHE A 82 15.527 20.229 -14.198 1.00 0.00 C ATOM 1330 CZ PHE A 82 14.947 21.502 -14.160 1.00 0.00 C ATOM 0 H PHE A 82 13.033 20.018 -9.279 1.00 0.00 H new ATOM 0 HA PHE A 82 12.373 18.576 -11.695 1.00 0.00 H new ATOM 0 HB2 PHE A 82 14.757 19.183 -9.969 1.00 0.00 H new ATOM 0 HB3 PHE A 82 14.881 17.831 -11.077 1.00 0.00 H new ATOM 0 HD1 PHE A 82 13.382 21.292 -11.145 1.00 0.00 H new ATOM 0 HD2 PHE A 82 15.777 18.356 -13.165 1.00 0.00 H new ATOM 0 HE1 PHE A 82 13.726 22.870 -13.028 1.00 0.00 H new ATOM 0 HE2 PHE A 82 16.126 19.933 -15.047 1.00 0.00 H new ATOM 0 HZ PHE A 82 15.096 22.188 -14.981 1.00 0.00 H new ATOM 1340 N LEU A 83 12.549 16.942 -8.869 1.00 0.00 N ATOM 1341 CA LEU A 83 12.275 15.616 -8.266 1.00 0.00 C ATOM 1342 C LEU A 83 10.863 15.196 -8.645 1.00 0.00 C ATOM 1343 O LEU A 83 10.576 14.040 -8.886 1.00 0.00 O ATOM 1344 CB LEU A 83 12.404 15.760 -6.752 1.00 0.00 C ATOM 1345 CG LEU A 83 13.864 15.552 -6.351 1.00 0.00 C ATOM 1346 CD1 LEU A 83 13.992 15.626 -4.829 1.00 0.00 C ATOM 1347 CD2 LEU A 83 14.351 14.179 -6.826 1.00 0.00 C ATOM 0 H LEU A 83 12.691 17.699 -8.200 1.00 0.00 H new ATOM 0 HA LEU A 83 12.974 14.860 -8.623 1.00 0.00 H new ATOM 0 HB2 LEU A 83 12.065 16.747 -6.438 1.00 0.00 H new ATOM 0 HB3 LEU A 83 11.769 15.030 -6.250 1.00 0.00 H new ATOM 0 HG LEU A 83 14.470 16.331 -6.814 1.00 0.00 H new ATOM 0 HD11 LEU A 83 15.034 15.478 -4.544 1.00 0.00 H new ATOM 0 HD12 LEU A 83 13.657 16.604 -4.483 1.00 0.00 H new ATOM 0 HD13 LEU A 83 13.377 14.850 -4.374 1.00 0.00 H new ATOM 0 HD21 LEU A 83 15.392 14.042 -6.535 1.00 0.00 H new ATOM 0 HD22 LEU A 83 13.741 13.399 -6.371 1.00 0.00 H new ATOM 0 HD23 LEU A 83 14.267 14.118 -7.911 1.00 0.00 H new ATOM 1359 N LYS A 84 9.992 16.149 -8.720 1.00 0.00 N ATOM 1360 CA LYS A 84 8.587 15.870 -9.110 1.00 0.00 C ATOM 1361 C LYS A 84 8.557 15.511 -10.594 1.00 0.00 C ATOM 1362 O LYS A 84 7.961 14.531 -10.994 1.00 0.00 O ATOM 1363 CB LYS A 84 7.726 17.112 -8.863 1.00 0.00 C ATOM 1364 CG LYS A 84 6.279 16.819 -9.260 1.00 0.00 C ATOM 1365 CD LYS A 84 5.389 17.997 -8.856 1.00 0.00 C ATOM 1366 CE LYS A 84 4.587 18.471 -10.068 1.00 0.00 C ATOM 1367 NZ LYS A 84 4.133 19.873 -9.845 1.00 0.00 N ATOM 0 H LYS A 84 10.194 17.129 -8.525 1.00 0.00 H new ATOM 0 HA LYS A 84 8.193 15.044 -8.518 1.00 0.00 H new ATOM 0 HB2 LYS A 84 7.775 17.398 -7.812 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.109 17.953 -9.440 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.213 16.652 -10.335 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.935 15.906 -8.773 1.00 0.00 H new ATOM 0 HD2 LYS A 84 4.714 17.698 -8.054 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.000 18.813 -8.470 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.200 18.414 -10.968 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.727 17.820 -10.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.587 20.196 -10.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.534 19.913 -8.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 4.961 20.489 -9.714 1.00 0.00 H new ATOM 1381 N ARG A 85 9.213 16.290 -11.414 1.00 0.00 N ATOM 1382 CA ARG A 85 9.232 15.973 -12.866 1.00 0.00 C ATOM 1383 C ARG A 85 9.710 14.539 -13.024 1.00 0.00 C ATOM 1384 O ARG A 85 9.267 13.801 -13.881 1.00 0.00 O ATOM 1385 CB ARG A 85 10.189 16.927 -13.589 1.00 0.00 C ATOM 1386 CG ARG A 85 9.857 16.962 -15.082 1.00 0.00 C ATOM 1387 CD ARG A 85 11.154 17.052 -15.890 1.00 0.00 C ATOM 1388 NE ARG A 85 11.359 18.454 -16.347 1.00 0.00 N ATOM 1389 CZ ARG A 85 12.299 18.728 -17.211 1.00 0.00 C ATOM 1390 NH1 ARG A 85 12.398 18.032 -18.310 1.00 0.00 N ATOM 1391 NH2 ARG A 85 13.140 19.699 -16.976 1.00 0.00 N ATOM 0 H ARG A 85 9.732 17.125 -11.141 1.00 0.00 H new ATOM 0 HA ARG A 85 8.237 16.089 -13.297 1.00 0.00 H new ATOM 0 HB2 ARG A 85 10.108 17.928 -13.166 1.00 0.00 H new ATOM 0 HB3 ARG A 85 11.219 16.602 -13.444 1.00 0.00 H new ATOM 0 HG2 ARG A 85 9.302 16.067 -15.363 1.00 0.00 H new ATOM 0 HG3 ARG A 85 9.218 17.817 -15.304 1.00 0.00 H new ATOM 0 HD2 ARG A 85 11.998 16.730 -15.280 1.00 0.00 H new ATOM 0 HD3 ARG A 85 11.107 16.382 -16.748 1.00 0.00 H new ATOM 0 HE ARG A 85 10.765 19.200 -15.985 1.00 0.00 H new ATOM 0 HH11 ARG A 85 11.741 17.274 -18.494 1.00 0.00 H new ATOM 0 HH12 ARG A 85 13.132 18.246 -18.985 1.00 0.00 H new ATOM 0 HH21 ARG A 85 13.063 20.244 -16.117 1.00 0.00 H new ATOM 0 HH22 ARG A 85 13.874 19.913 -17.651 1.00 0.00 H new ATOM 1405 N LEU A 86 10.611 14.150 -12.180 1.00 0.00 N ATOM 1406 CA LEU A 86 11.148 12.764 -12.227 1.00 0.00 C ATOM 1407 C LEU A 86 10.069 11.771 -11.774 1.00 0.00 C ATOM 1408 O LEU A 86 9.994 10.667 -12.268 1.00 0.00 O ATOM 1409 CB LEU A 86 12.359 12.656 -11.298 1.00 0.00 C ATOM 1410 CG LEU A 86 13.054 11.311 -11.518 1.00 0.00 C ATOM 1411 CD1 LEU A 86 13.412 11.160 -12.997 1.00 0.00 C ATOM 1412 CD2 LEU A 86 14.328 11.250 -10.675 1.00 0.00 C ATOM 0 H LEU A 86 11.007 14.739 -11.447 1.00 0.00 H new ATOM 0 HA LEU A 86 11.446 12.529 -13.249 1.00 0.00 H new ATOM 0 HB2 LEU A 86 13.054 13.473 -11.493 1.00 0.00 H new ATOM 0 HB3 LEU A 86 12.043 12.748 -10.259 1.00 0.00 H new ATOM 0 HG LEU A 86 12.385 10.503 -11.221 1.00 0.00 H new ATOM 0 HD11 LEU A 86 13.907 10.202 -13.155 1.00 0.00 H new ATOM 0 HD12 LEU A 86 12.503 11.202 -13.597 1.00 0.00 H new ATOM 0 HD13 LEU A 86 14.081 11.968 -13.294 1.00 0.00 H new ATOM 0 HD21 LEU A 86 14.823 10.292 -10.832 1.00 0.00 H new ATOM 0 HD22 LEU A 86 14.999 12.057 -10.970 1.00 0.00 H new ATOM 0 HD23 LEU A 86 14.072 11.358 -9.621 1.00 0.00 H new ATOM 1424 N ASP A 87 9.241 12.140 -10.826 1.00 0.00 N ATOM 1425 CA ASP A 87 8.192 11.197 -10.353 1.00 0.00 C ATOM 1426 C ASP A 87 7.148 10.947 -11.451 1.00 0.00 C ATOM 1427 O ASP A 87 6.782 9.822 -11.724 1.00 0.00 O ATOM 1428 CB ASP A 87 7.503 11.795 -9.128 1.00 0.00 C ATOM 1429 CG ASP A 87 6.336 10.900 -8.708 1.00 0.00 C ATOM 1430 OD1 ASP A 87 6.341 9.740 -9.087 1.00 0.00 O ATOM 1431 OD2 ASP A 87 5.459 11.389 -8.017 1.00 0.00 O ATOM 0 H ASP A 87 9.250 13.050 -10.365 1.00 0.00 H new ATOM 0 HA ASP A 87 8.661 10.247 -10.099 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.215 11.890 -8.308 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.142 12.798 -9.355 1.00 0.00 H new ATOM 1436 N ARG A 88 6.651 11.986 -12.066 1.00 0.00 N ATOM 1437 CA ARG A 88 5.613 11.804 -13.123 1.00 0.00 C ATOM 1438 C ARG A 88 6.220 11.170 -14.382 1.00 0.00 C ATOM 1439 O ARG A 88 5.668 10.248 -14.952 1.00 0.00 O ATOM 1440 CB ARG A 88 5.025 13.169 -13.486 1.00 0.00 C ATOM 1441 CG ARG A 88 3.544 13.203 -13.104 1.00 0.00 C ATOM 1442 CD ARG A 88 2.859 14.374 -13.812 1.00 0.00 C ATOM 1443 NE ARG A 88 1.387 14.144 -13.837 1.00 0.00 N ATOM 1444 CZ ARG A 88 0.594 15.051 -14.342 1.00 0.00 C ATOM 1445 NH1 ARG A 88 0.697 15.379 -15.602 1.00 0.00 N ATOM 1446 NH2 ARG A 88 -0.301 15.627 -13.588 1.00 0.00 N ATOM 0 H ARG A 88 6.918 12.953 -11.883 1.00 0.00 H new ATOM 0 HA ARG A 88 4.836 11.143 -12.739 1.00 0.00 H new ATOM 0 HB2 ARG A 88 5.564 13.960 -12.965 1.00 0.00 H new ATOM 0 HB3 ARG A 88 5.141 13.355 -14.554 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.064 12.265 -13.383 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.439 13.306 -12.024 1.00 0.00 H new ATOM 0 HD2 ARG A 88 3.084 15.307 -13.296 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.240 14.472 -14.828 1.00 0.00 H new ATOM 0 HE ARG A 88 0.999 13.279 -13.460 1.00 0.00 H new ATOM 0 HH11 ARG A 88 1.396 14.927 -16.191 1.00 0.00 H new ATOM 0 HH12 ARG A 88 0.078 16.087 -15.997 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -0.382 15.369 -12.604 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -0.920 16.335 -13.982 1.00 0.00 H new ATOM 1460 N ASN A 89 7.331 11.677 -14.837 1.00 0.00 N ATOM 1461 CA ASN A 89 7.959 11.134 -16.081 1.00 0.00 C ATOM 1462 C ASN A 89 8.541 9.735 -15.852 1.00 0.00 C ATOM 1463 O ASN A 89 8.605 8.935 -16.764 1.00 0.00 O ATOM 1464 CB ASN A 89 9.071 12.078 -16.541 1.00 0.00 C ATOM 1465 CG ASN A 89 8.542 13.515 -16.593 1.00 0.00 C ATOM 1466 OD1 ASN A 89 9.313 14.451 -16.680 1.00 0.00 O ATOM 1467 ND2 ASN A 89 7.256 13.735 -16.548 1.00 0.00 N ATOM 0 H ASN A 89 7.836 12.448 -14.401 1.00 0.00 H new ATOM 0 HA ASN A 89 7.186 11.058 -16.846 1.00 0.00 H new ATOM 0 HB2 ASN A 89 9.918 12.017 -15.858 1.00 0.00 H new ATOM 0 HB3 ASN A 89 9.432 11.778 -17.525 1.00 0.00 H new ATOM 0 HD21 ASN A 89 6.900 14.690 -16.586 1.00 0.00 H new ATOM 0 HD22 ASN A 89 6.607 12.952 -16.475 1.00 0.00 H new ATOM 1474 N LEU A 90 8.976 9.421 -14.663 1.00 0.00 N ATOM 1475 CA LEU A 90 9.549 8.063 -14.436 1.00 0.00 C ATOM 1476 C LEU A 90 8.505 7.010 -14.803 1.00 0.00 C ATOM 1477 O LEU A 90 8.799 6.030 -15.456 1.00 0.00 O ATOM 1478 CB LEU A 90 9.940 7.904 -12.966 1.00 0.00 C ATOM 1479 CG LEU A 90 11.418 8.256 -12.778 1.00 0.00 C ATOM 1480 CD1 LEU A 90 11.853 7.882 -11.362 1.00 0.00 C ATOM 1481 CD2 LEU A 90 12.265 7.479 -13.785 1.00 0.00 C ATOM 0 H LEU A 90 8.961 10.035 -13.849 1.00 0.00 H new ATOM 0 HA LEU A 90 10.436 7.935 -15.057 1.00 0.00 H new ATOM 0 HB2 LEU A 90 9.321 8.551 -12.344 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.757 6.880 -12.641 1.00 0.00 H new ATOM 0 HG LEU A 90 11.556 9.326 -12.936 1.00 0.00 H new ATOM 0 HD11 LEU A 90 12.905 8.132 -11.227 1.00 0.00 H new ATOM 0 HD12 LEU A 90 11.253 8.435 -10.639 1.00 0.00 H new ATOM 0 HD13 LEU A 90 11.712 6.812 -11.209 1.00 0.00 H new ATOM 0 HD21 LEU A 90 13.316 7.732 -13.648 1.00 0.00 H new ATOM 0 HD22 LEU A 90 12.126 6.409 -13.629 1.00 0.00 H new ATOM 0 HD23 LEU A 90 11.958 7.741 -14.798 1.00 0.00 H new ATOM 1493 N TRP A 91 7.283 7.210 -14.395 1.00 0.00 N ATOM 1494 CA TRP A 91 6.218 6.236 -14.724 1.00 0.00 C ATOM 1495 C TRP A 91 6.268 5.947 -16.224 1.00 0.00 C ATOM 1496 O TRP A 91 5.998 4.846 -16.663 1.00 0.00 O ATOM 1497 CB TRP A 91 4.869 6.835 -14.326 1.00 0.00 C ATOM 1498 CG TRP A 91 4.777 6.860 -12.843 1.00 0.00 C ATOM 1499 CD1 TRP A 91 4.625 7.975 -12.107 1.00 0.00 C ATOM 1500 CD2 TRP A 91 4.829 5.748 -11.906 1.00 0.00 C ATOM 1501 NE1 TRP A 91 4.586 7.626 -10.770 1.00 0.00 N ATOM 1502 CE2 TRP A 91 4.706 6.262 -10.594 1.00 0.00 C ATOM 1503 CE3 TRP A 91 4.970 4.357 -12.065 1.00 0.00 C ATOM 1504 CZ2 TRP A 91 4.725 5.427 -9.476 1.00 0.00 C ATOM 1505 CZ3 TRP A 91 4.987 3.513 -10.941 1.00 0.00 C ATOM 1506 CH2 TRP A 91 4.865 4.045 -9.651 1.00 0.00 C ATOM 0 H TRP A 91 6.979 8.013 -13.844 1.00 0.00 H new ATOM 0 HA TRP A 91 6.359 5.301 -14.182 1.00 0.00 H new ATOM 0 HB2 TRP A 91 4.770 7.843 -14.728 1.00 0.00 H new ATOM 0 HB3 TRP A 91 4.055 6.244 -14.745 1.00 0.00 H new ATOM 0 HD1 TRP A 91 4.546 8.979 -12.497 1.00 0.00 H new ATOM 0 HE1 TRP A 91 4.481 8.295 -10.007 1.00 0.00 H new ATOM 0 HE3 TRP A 91 5.066 3.936 -13.055 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 4.632 5.843 -8.484 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 5.095 2.447 -11.073 1.00 0.00 H new ATOM 0 HH2 TRP A 91 4.879 3.390 -8.792 1.00 0.00 H new ATOM 1517 N GLY A 92 6.642 6.919 -17.013 1.00 0.00 N ATOM 1518 CA GLY A 92 6.742 6.686 -18.478 1.00 0.00 C ATOM 1519 C GLY A 92 7.912 5.738 -18.738 1.00 0.00 C ATOM 1520 O GLY A 92 7.814 4.802 -19.507 1.00 0.00 O ATOM 0 H GLY A 92 6.882 7.861 -16.705 1.00 0.00 H new ATOM 0 HA2 GLY A 92 5.815 6.257 -18.858 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.895 7.629 -19.002 1.00 0.00 H new ATOM 1524 N LEU A 93 9.021 5.977 -18.091 1.00 0.00 N ATOM 1525 CA LEU A 93 10.207 5.110 -18.271 1.00 0.00 C ATOM 1526 C LEU A 93 9.834 3.652 -17.957 1.00 0.00 C ATOM 1527 O LEU A 93 10.269 2.736 -18.626 1.00 0.00 O ATOM 1528 CB LEU A 93 11.303 5.601 -17.325 1.00 0.00 C ATOM 1529 CG LEU A 93 12.701 5.268 -17.869 1.00 0.00 C ATOM 1530 CD1 LEU A 93 12.675 4.036 -18.785 1.00 0.00 C ATOM 1531 CD2 LEU A 93 13.229 6.472 -18.649 1.00 0.00 C ATOM 0 H LEU A 93 9.151 6.749 -17.437 1.00 0.00 H new ATOM 0 HA LEU A 93 10.563 5.155 -19.300 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.211 6.678 -17.187 1.00 0.00 H new ATOM 0 HB3 LEU A 93 11.173 5.142 -16.345 1.00 0.00 H new ATOM 0 HG LEU A 93 13.353 5.042 -17.025 1.00 0.00 H new ATOM 0 HD11 LEU A 93 13.682 3.832 -19.150 1.00 0.00 H new ATOM 0 HD12 LEU A 93 12.311 3.174 -18.226 1.00 0.00 H new ATOM 0 HD13 LEU A 93 12.014 4.225 -19.631 1.00 0.00 H new ATOM 0 HD21 LEU A 93 14.221 6.246 -19.039 1.00 0.00 H new ATOM 0 HD22 LEU A 93 12.555 6.693 -19.477 1.00 0.00 H new ATOM 0 HD23 LEU A 93 13.288 7.337 -17.988 1.00 0.00 H new ATOM 1543 N ALA A 94 9.024 3.424 -16.950 1.00 0.00 N ATOM 1544 CA ALA A 94 8.627 2.028 -16.613 1.00 0.00 C ATOM 1545 C ALA A 94 7.564 1.546 -17.605 1.00 0.00 C ATOM 1546 O ALA A 94 7.841 0.757 -18.487 1.00 0.00 O ATOM 1547 CB ALA A 94 8.055 1.988 -15.194 1.00 0.00 C ATOM 0 H ALA A 94 8.624 4.146 -16.351 1.00 0.00 H new ATOM 0 HA ALA A 94 9.500 1.378 -16.671 1.00 0.00 H new ATOM 0 HB1 ALA A 94 7.765 0.967 -14.947 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.811 2.331 -14.487 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.182 2.638 -15.135 1.00 0.00 H new ATOM 1553 N GLY A 95 6.352 2.017 -17.474 1.00 0.00 N ATOM 1554 CA GLY A 95 5.285 1.582 -18.421 1.00 0.00 C ATOM 1555 C GLY A 95 3.949 1.410 -17.686 1.00 0.00 C ATOM 1556 O GLY A 95 2.903 1.738 -18.209 1.00 0.00 O ATOM 0 H GLY A 95 6.056 2.680 -16.757 1.00 0.00 H new ATOM 0 HA2 GLY A 95 5.176 2.318 -19.218 1.00 0.00 H new ATOM 0 HA3 GLY A 95 5.571 0.642 -18.893 1.00 0.00 H new ATOM 1560 N LEU A 96 3.968 0.891 -16.485 1.00 0.00 N ATOM 1561 CA LEU A 96 2.695 0.696 -15.742 1.00 0.00 C ATOM 1562 C LEU A 96 2.610 1.702 -14.589 1.00 0.00 C ATOM 1563 O LEU A 96 3.580 2.340 -14.236 1.00 0.00 O ATOM 1564 CB LEU A 96 2.658 -0.723 -15.176 1.00 0.00 C ATOM 1565 CG LEU A 96 1.211 -1.214 -15.106 1.00 0.00 C ATOM 1566 CD1 LEU A 96 0.635 -1.311 -16.520 1.00 0.00 C ATOM 1567 CD2 LEU A 96 1.173 -2.594 -14.444 1.00 0.00 C ATOM 0 H LEU A 96 4.810 0.596 -15.991 1.00 0.00 H new ATOM 0 HA LEU A 96 1.853 0.849 -16.417 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.248 -1.390 -15.804 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.106 -0.740 -14.183 1.00 0.00 H new ATOM 0 HG LEU A 96 0.617 -0.512 -14.520 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.396 -1.661 -16.470 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.662 -0.329 -16.992 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.228 -2.012 -17.107 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.142 -2.945 -14.393 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.767 -3.295 -15.030 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.583 -2.526 -13.436 1.00 0.00 H new ATOM 1579 N ASN A 97 1.450 1.844 -14.001 1.00 0.00 N ATOM 1580 CA ASN A 97 1.294 2.806 -12.873 1.00 0.00 C ATOM 1581 C ASN A 97 0.795 2.066 -11.629 1.00 0.00 C ATOM 1582 O ASN A 97 0.089 2.618 -10.807 1.00 0.00 O ATOM 1583 CB ASN A 97 0.282 3.888 -13.262 1.00 0.00 C ATOM 1584 CG ASN A 97 0.991 5.240 -13.360 1.00 0.00 C ATOM 1585 OD1 ASN A 97 1.094 5.807 -14.429 1.00 0.00 O ATOM 1586 ND2 ASN A 97 1.488 5.783 -12.282 1.00 0.00 N ATOM 0 H ASN A 97 0.604 1.334 -14.255 1.00 0.00 H new ATOM 0 HA ASN A 97 2.258 3.267 -12.657 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -0.183 3.640 -14.216 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -0.516 3.937 -12.521 1.00 0.00 H new ATOM 0 HD21 ASN A 97 1.963 6.684 -12.337 1.00 0.00 H new ATOM 0 HD22 ASN A 97 1.401 5.306 -11.384 1.00 0.00 H new ATOM 1593 N SER A 98 1.157 0.823 -11.482 1.00 0.00 N ATOM 1594 CA SER A 98 0.707 0.046 -10.292 1.00 0.00 C ATOM 1595 C SER A 98 1.897 -0.730 -9.720 1.00 0.00 C ATOM 1596 O SER A 98 1.983 -1.934 -9.855 1.00 0.00 O ATOM 1597 CB SER A 98 -0.387 -0.937 -10.710 1.00 0.00 C ATOM 1598 OG SER A 98 -0.797 -1.698 -9.583 1.00 0.00 O ATOM 0 H SER A 98 1.747 0.309 -12.136 1.00 0.00 H new ATOM 0 HA SER A 98 0.314 0.726 -9.536 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.237 -0.396 -11.125 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.016 -1.598 -11.493 1.00 0.00 H new ATOM 0 HG SER A 98 -1.499 -2.327 -9.851 1.00 0.00 H new ATOM 1604 N CYS A 99 2.821 -0.053 -9.095 1.00 0.00 N ATOM 1605 CA CYS A 99 4.008 -0.759 -8.534 1.00 0.00 C ATOM 1606 C CYS A 99 4.398 -0.137 -7.187 1.00 0.00 C ATOM 1607 O CYS A 99 5.328 0.640 -7.121 1.00 0.00 O ATOM 1608 CB CYS A 99 5.187 -0.618 -9.499 1.00 0.00 C ATOM 1609 SG CYS A 99 4.593 -0.601 -11.211 1.00 0.00 S ATOM 0 H CYS A 99 2.806 0.956 -8.949 1.00 0.00 H new ATOM 0 HA CYS A 99 3.760 -1.811 -8.394 1.00 0.00 H new ATOM 0 HB2 CYS A 99 5.733 0.301 -9.286 1.00 0.00 H new ATOM 0 HB3 CYS A 99 5.884 -1.443 -9.356 1.00 0.00 H new ATOM 1614 N PRO A 100 3.688 -0.506 -6.149 1.00 0.00 N ATOM 1615 CA PRO A 100 3.955 -0.001 -4.763 1.00 0.00 C ATOM 1616 C PRO A 100 5.279 -0.566 -4.238 1.00 0.00 C ATOM 1617 O PRO A 100 5.913 -1.380 -4.878 1.00 0.00 O ATOM 1618 CB PRO A 100 2.769 -0.526 -3.963 1.00 0.00 C ATOM 1619 CG PRO A 100 2.228 -1.724 -4.730 1.00 0.00 C ATOM 1620 CD PRO A 100 2.537 -1.469 -6.205 1.00 0.00 C ATOM 0 HA PRO A 100 4.050 1.083 -4.704 1.00 0.00 H new ATOM 0 HB2 PRO A 100 3.076 -0.815 -2.958 1.00 0.00 H new ATOM 0 HB3 PRO A 100 2.004 0.243 -3.854 1.00 0.00 H new ATOM 0 HG2 PRO A 100 2.697 -2.647 -4.389 1.00 0.00 H new ATOM 0 HG3 PRO A 100 1.155 -1.834 -4.572 1.00 0.00 H new ATOM 0 HD2 PRO A 100 2.805 -2.388 -6.726 1.00 0.00 H new ATOM 0 HD3 PRO A 100 1.681 -1.044 -6.729 1.00 0.00 H new ATOM 1628 N VAL A 101 5.709 -0.133 -3.083 1.00 0.00 N ATOM 1629 CA VAL A 101 6.996 -0.641 -2.532 1.00 0.00 C ATOM 1630 C VAL A 101 6.729 -1.480 -1.282 1.00 0.00 C ATOM 1631 O VAL A 101 5.733 -1.310 -0.606 1.00 0.00 O ATOM 1632 CB VAL A 101 7.895 0.540 -2.166 1.00 0.00 C ATOM 1633 CG1 VAL A 101 8.031 1.472 -3.372 1.00 0.00 C ATOM 1634 CG2 VAL A 101 7.275 1.309 -0.997 1.00 0.00 C ATOM 0 H VAL A 101 5.225 0.549 -2.499 1.00 0.00 H new ATOM 0 HA VAL A 101 7.489 -1.259 -3.283 1.00 0.00 H new ATOM 0 HB VAL A 101 8.880 0.171 -1.879 1.00 0.00 H new ATOM 0 HG11 VAL A 101 8.672 2.314 -3.111 1.00 0.00 H new ATOM 0 HG12 VAL A 101 8.471 0.926 -4.206 1.00 0.00 H new ATOM 0 HG13 VAL A 101 7.046 1.841 -3.659 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.915 2.151 -0.735 1.00 0.00 H new ATOM 0 HG22 VAL A 101 6.290 1.677 -1.285 1.00 0.00 H new ATOM 0 HG23 VAL A 101 7.177 0.647 -0.137 1.00 0.00 H new ATOM 1644 N LYS A 102 7.619 -2.379 -0.965 1.00 0.00 N ATOM 1645 CA LYS A 102 7.430 -3.227 0.244 1.00 0.00 C ATOM 1646 C LYS A 102 8.802 -3.647 0.768 1.00 0.00 C ATOM 1647 O LYS A 102 9.182 -4.799 0.720 1.00 0.00 O ATOM 1648 CB LYS A 102 6.600 -4.470 -0.116 1.00 0.00 C ATOM 1649 CG LYS A 102 7.422 -5.390 -1.022 1.00 0.00 C ATOM 1650 CD LYS A 102 6.492 -6.098 -2.009 1.00 0.00 C ATOM 1651 CE LYS A 102 7.328 -6.802 -3.081 1.00 0.00 C ATOM 1652 NZ LYS A 102 7.289 -8.274 -2.853 1.00 0.00 N ATOM 0 H LYS A 102 8.472 -2.563 -1.493 1.00 0.00 H new ATOM 0 HA LYS A 102 6.899 -2.665 1.013 1.00 0.00 H new ATOM 0 HB2 LYS A 102 6.309 -5.001 0.791 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.681 -4.173 -0.620 1.00 0.00 H new ATOM 0 HG2 LYS A 102 8.171 -4.811 -1.563 1.00 0.00 H new ATOM 0 HG3 LYS A 102 7.959 -6.124 -0.421 1.00 0.00 H new ATOM 0 HD2 LYS A 102 5.870 -6.823 -1.484 1.00 0.00 H new ATOM 0 HD3 LYS A 102 5.819 -5.377 -2.473 1.00 0.00 H new ATOM 0 HE2 LYS A 102 6.941 -6.566 -4.072 1.00 0.00 H new ATOM 0 HE3 LYS A 102 8.357 -6.445 -3.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 7.857 -8.753 -3.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 7.678 -8.490 -1.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 6.305 -8.608 -2.906 1.00 0.00 H new ATOM 1666 N GLU A 103 9.545 -2.705 1.269 1.00 0.00 N ATOM 1667 CA GLU A 103 10.900 -3.025 1.800 1.00 0.00 C ATOM 1668 C GLU A 103 11.111 -2.313 3.137 1.00 0.00 C ATOM 1669 O GLU A 103 11.288 -1.112 3.190 1.00 0.00 O ATOM 1670 CB GLU A 103 11.963 -2.557 0.804 1.00 0.00 C ATOM 1671 CG GLU A 103 11.580 -3.017 -0.606 1.00 0.00 C ATOM 1672 CD GLU A 103 12.111 -4.431 -0.843 1.00 0.00 C ATOM 1673 OE1 GLU A 103 13.303 -4.630 -0.681 1.00 0.00 O ATOM 1674 OE2 GLU A 103 11.316 -5.291 -1.183 1.00 0.00 O ATOM 0 H GLU A 103 9.274 -1.724 1.335 1.00 0.00 H new ATOM 0 HA GLU A 103 10.984 -4.102 1.945 1.00 0.00 H new ATOM 0 HB2 GLU A 103 12.050 -1.471 0.833 1.00 0.00 H new ATOM 0 HB3 GLU A 103 12.937 -2.962 1.078 1.00 0.00 H new ATOM 0 HG2 GLU A 103 10.497 -2.999 -0.724 1.00 0.00 H new ATOM 0 HG3 GLU A 103 11.993 -2.333 -1.348 1.00 0.00 H new ATOM 1681 N ALA A 104 11.098 -3.043 4.218 1.00 0.00 N ATOM 1682 CA ALA A 104 11.302 -2.408 5.550 1.00 0.00 C ATOM 1683 C ALA A 104 12.705 -1.802 5.613 1.00 0.00 C ATOM 1684 O ALA A 104 12.926 -0.788 6.246 1.00 0.00 O ATOM 1685 CB ALA A 104 11.152 -3.464 6.647 1.00 0.00 C ATOM 0 H ALA A 104 10.955 -4.053 4.236 1.00 0.00 H new ATOM 0 HA ALA A 104 10.559 -1.624 5.698 1.00 0.00 H new ATOM 0 HB1 ALA A 104 11.301 -3.000 7.622 1.00 0.00 H new ATOM 0 HB2 ALA A 104 10.153 -3.897 6.601 1.00 0.00 H new ATOM 0 HB3 ALA A 104 11.895 -4.248 6.501 1.00 0.00 H new ATOM 1691 N ASN A 105 13.656 -2.413 4.960 1.00 0.00 N ATOM 1692 CA ASN A 105 15.044 -1.871 4.982 1.00 0.00 C ATOM 1693 C ASN A 105 15.007 -0.369 4.695 1.00 0.00 C ATOM 1694 O ASN A 105 13.991 0.173 4.305 1.00 0.00 O ATOM 1695 CB ASN A 105 15.881 -2.576 3.911 1.00 0.00 C ATOM 1696 CG ASN A 105 17.338 -2.124 4.024 1.00 0.00 C ATOM 1697 OD1 ASN A 105 17.937 -2.220 5.077 1.00 0.00 O ATOM 1698 ND2 ASN A 105 17.940 -1.632 2.975 1.00 0.00 N ATOM 0 H ASN A 105 13.531 -3.264 4.412 1.00 0.00 H new ATOM 0 HA ASN A 105 15.489 -2.043 5.962 1.00 0.00 H new ATOM 0 HB2 ASN A 105 15.814 -3.657 4.035 1.00 0.00 H new ATOM 0 HB3 ASN A 105 15.493 -2.344 2.919 1.00 0.00 H new ATOM 0 HD21 ASN A 105 18.912 -1.329 3.040 1.00 0.00 H new ATOM 0 HD22 ASN A 105 17.439 -1.551 2.090 1.00 0.00 H new ATOM 1705 N GLN A 106 16.106 0.310 4.883 1.00 0.00 N ATOM 1706 CA GLN A 106 16.127 1.777 4.621 1.00 0.00 C ATOM 1707 C GLN A 106 17.346 2.128 3.768 1.00 0.00 C ATOM 1708 O GLN A 106 18.398 1.534 3.897 1.00 0.00 O ATOM 1709 CB GLN A 106 16.198 2.534 5.949 1.00 0.00 C ATOM 1710 CG GLN A 106 17.558 2.284 6.604 1.00 0.00 C ATOM 1711 CD GLN A 106 17.391 2.233 8.124 1.00 0.00 C ATOM 1712 OE1 GLN A 106 17.987 1.405 8.785 1.00 0.00 O ATOM 1713 NE2 GLN A 106 16.599 3.088 8.709 1.00 0.00 N ATOM 0 H GLN A 106 16.988 -0.087 5.206 1.00 0.00 H new ATOM 0 HA GLN A 106 15.219 2.062 4.090 1.00 0.00 H new ATOM 0 HB2 GLN A 106 16.054 3.601 5.780 1.00 0.00 H new ATOM 0 HB3 GLN A 106 15.397 2.205 6.611 1.00 0.00 H new ATOM 0 HG2 GLN A 106 17.981 1.347 6.242 1.00 0.00 H new ATOM 0 HG3 GLN A 106 18.256 3.075 6.331 1.00 0.00 H new ATOM 0 HE21 GLN A 106 16.099 3.783 8.154 1.00 0.00 H new ATOM 0 HE22 GLN A 106 16.479 3.062 9.722 1.00 0.00 H new ATOM 1722 N SER A 107 17.216 3.091 2.896 1.00 0.00 N ATOM 1723 CA SER A 107 18.369 3.479 2.039 1.00 0.00 C ATOM 1724 C SER A 107 18.633 4.978 2.185 1.00 0.00 C ATOM 1725 O SER A 107 17.985 5.664 2.950 1.00 0.00 O ATOM 1726 CB SER A 107 18.047 3.162 0.576 1.00 0.00 C ATOM 1727 OG SER A 107 19.190 2.595 -0.047 1.00 0.00 O ATOM 0 H SER A 107 16.361 3.625 2.741 1.00 0.00 H new ATOM 0 HA SER A 107 19.253 2.921 2.348 1.00 0.00 H new ATOM 0 HB2 SER A 107 17.207 2.470 0.519 1.00 0.00 H new ATOM 0 HB3 SER A 107 17.747 4.070 0.053 1.00 0.00 H new ATOM 0 HG SER A 107 18.985 2.390 -0.983 1.00 0.00 H new ATOM 1733 N THR A 108 19.582 5.491 1.453 1.00 0.00 N ATOM 1734 CA THR A 108 19.895 6.942 1.539 1.00 0.00 C ATOM 1735 C THR A 108 19.616 7.583 0.173 1.00 0.00 C ATOM 1736 O THR A 108 19.913 7.011 -0.854 1.00 0.00 O ATOM 1737 CB THR A 108 21.377 7.106 1.921 1.00 0.00 C ATOM 1738 OG1 THR A 108 21.490 7.167 3.336 1.00 0.00 O ATOM 1739 CG2 THR A 108 21.957 8.386 1.311 1.00 0.00 C ATOM 0 H THR A 108 20.157 4.964 0.796 1.00 0.00 H new ATOM 0 HA THR A 108 19.279 7.430 2.295 1.00 0.00 H new ATOM 0 HB THR A 108 21.935 6.253 1.535 1.00 0.00 H new ATOM 0 HG1 THR A 108 22.432 7.270 3.585 1.00 0.00 H new ATOM 0 HG21 THR A 108 23.005 8.481 1.594 1.00 0.00 H new ATOM 0 HG22 THR A 108 21.877 8.340 0.225 1.00 0.00 H new ATOM 0 HG23 THR A 108 21.402 9.249 1.679 1.00 0.00 H new ATOM 1747 N LEU A 109 19.057 8.763 0.151 1.00 0.00 N ATOM 1748 CA LEU A 109 18.777 9.428 -1.156 1.00 0.00 C ATOM 1749 C LEU A 109 20.047 9.391 -2.001 1.00 0.00 C ATOM 1750 O LEU A 109 20.007 9.083 -3.173 1.00 0.00 O ATOM 1751 CB LEU A 109 18.351 10.882 -0.918 1.00 0.00 C ATOM 1752 CG LEU A 109 17.697 11.461 -2.179 1.00 0.00 C ATOM 1753 CD1 LEU A 109 18.665 11.381 -3.356 1.00 0.00 C ATOM 1754 CD2 LEU A 109 16.430 10.676 -2.517 1.00 0.00 C ATOM 0 H LEU A 109 18.783 9.294 0.977 1.00 0.00 H new ATOM 0 HA LEU A 109 17.971 8.908 -1.674 1.00 0.00 H new ATOM 0 HB2 LEU A 109 17.652 10.931 -0.083 1.00 0.00 H new ATOM 0 HB3 LEU A 109 19.219 11.481 -0.643 1.00 0.00 H new ATOM 0 HG LEU A 109 17.441 12.504 -1.991 1.00 0.00 H new ATOM 0 HD11 LEU A 109 18.191 11.795 -4.246 1.00 0.00 H new ATOM 0 HD12 LEU A 109 19.565 11.951 -3.126 1.00 0.00 H new ATOM 0 HD13 LEU A 109 18.932 10.340 -3.538 1.00 0.00 H new ATOM 0 HD21 LEU A 109 15.972 11.093 -3.414 1.00 0.00 H new ATOM 0 HD22 LEU A 109 16.685 9.631 -2.693 1.00 0.00 H new ATOM 0 HD23 LEU A 109 15.728 10.743 -1.686 1.00 0.00 H new ATOM 1766 N GLU A 110 21.177 9.688 -1.424 1.00 0.00 N ATOM 1767 CA GLU A 110 22.435 9.645 -2.217 1.00 0.00 C ATOM 1768 C GLU A 110 22.500 8.302 -2.940 1.00 0.00 C ATOM 1769 O GLU A 110 22.818 8.222 -4.110 1.00 0.00 O ATOM 1770 CB GLU A 110 23.639 9.776 -1.284 1.00 0.00 C ATOM 1771 CG GLU A 110 24.898 10.035 -2.114 1.00 0.00 C ATOM 1772 CD GLU A 110 25.899 10.842 -1.283 1.00 0.00 C ATOM 1773 OE1 GLU A 110 25.462 11.710 -0.546 1.00 0.00 O ATOM 1774 OE2 GLU A 110 27.084 10.577 -1.399 1.00 0.00 O ATOM 0 H GLU A 110 21.284 9.956 -0.446 1.00 0.00 H new ATOM 0 HA GLU A 110 22.452 10.465 -2.935 1.00 0.00 H new ATOM 0 HB2 GLU A 110 23.480 10.592 -0.579 1.00 0.00 H new ATOM 0 HB3 GLU A 110 23.758 8.866 -0.696 1.00 0.00 H new ATOM 0 HG2 GLU A 110 25.344 9.090 -2.423 1.00 0.00 H new ATOM 0 HG3 GLU A 110 24.642 10.579 -3.023 1.00 0.00 H new ATOM 1781 N ASN A 111 22.193 7.243 -2.242 1.00 0.00 N ATOM 1782 CA ASN A 111 22.227 5.895 -2.865 1.00 0.00 C ATOM 1783 C ASN A 111 21.083 5.756 -3.867 1.00 0.00 C ATOM 1784 O ASN A 111 21.184 5.024 -4.812 1.00 0.00 O ATOM 1785 CB ASN A 111 22.101 4.820 -1.783 1.00 0.00 C ATOM 1786 CG ASN A 111 22.579 3.479 -2.340 1.00 0.00 C ATOM 1787 OD1 ASN A 111 22.840 3.355 -3.521 1.00 0.00 O ATOM 1788 ND2 ASN A 111 22.709 2.460 -1.533 1.00 0.00 N ATOM 0 H ASN A 111 21.918 7.257 -1.260 1.00 0.00 H new ATOM 0 HA ASN A 111 23.175 5.768 -3.387 1.00 0.00 H new ATOM 0 HB2 ASN A 111 22.693 5.096 -0.911 1.00 0.00 H new ATOM 0 HB3 ASN A 111 21.065 4.741 -1.453 1.00 0.00 H new ATOM 0 HD21 ASN A 111 23.029 1.561 -1.894 1.00 0.00 H new ATOM 0 HD22 ASN A 111 22.490 2.563 -0.542 1.00 0.00 H new ATOM 1795 N PHE A 112 19.989 6.434 -3.681 1.00 0.00 N ATOM 1796 CA PHE A 112 18.887 6.299 -4.672 1.00 0.00 C ATOM 1797 C PHE A 112 19.347 6.913 -5.993 1.00 0.00 C ATOM 1798 O PHE A 112 19.070 6.403 -7.052 1.00 0.00 O ATOM 1799 CB PHE A 112 17.652 7.044 -4.157 1.00 0.00 C ATOM 1800 CG PHE A 112 16.488 6.787 -5.083 1.00 0.00 C ATOM 1801 CD1 PHE A 112 15.699 5.644 -4.914 1.00 0.00 C ATOM 1802 CD2 PHE A 112 16.203 7.691 -6.113 1.00 0.00 C ATOM 1803 CE1 PHE A 112 14.622 5.404 -5.775 1.00 0.00 C ATOM 1804 CE2 PHE A 112 15.125 7.451 -6.975 1.00 0.00 C ATOM 1805 CZ PHE A 112 14.335 6.308 -6.806 1.00 0.00 C ATOM 0 H PHE A 112 19.810 7.066 -2.901 1.00 0.00 H new ATOM 0 HA PHE A 112 18.635 5.249 -4.819 1.00 0.00 H new ATOM 0 HB2 PHE A 112 17.408 6.712 -3.148 1.00 0.00 H new ATOM 0 HB3 PHE A 112 17.856 8.113 -4.100 1.00 0.00 H new ATOM 0 HD1 PHE A 112 15.921 4.947 -4.119 1.00 0.00 H new ATOM 0 HD2 PHE A 112 16.813 8.572 -6.243 1.00 0.00 H new ATOM 0 HE1 PHE A 112 14.012 4.522 -5.645 1.00 0.00 H new ATOM 0 HE2 PHE A 112 14.904 8.148 -7.770 1.00 0.00 H new ATOM 0 HZ PHE A 112 13.504 6.123 -7.471 1.00 0.00 H new ATOM 1815 N LEU A 113 20.054 8.003 -5.941 1.00 0.00 N ATOM 1816 CA LEU A 113 20.548 8.622 -7.196 1.00 0.00 C ATOM 1817 C LEU A 113 21.669 7.745 -7.773 1.00 0.00 C ATOM 1818 O LEU A 113 21.809 7.609 -8.971 1.00 0.00 O ATOM 1819 CB LEU A 113 21.078 10.025 -6.895 1.00 0.00 C ATOM 1820 CG LEU A 113 19.966 10.865 -6.256 1.00 0.00 C ATOM 1821 CD1 LEU A 113 20.562 12.160 -5.699 1.00 0.00 C ATOM 1822 CD2 LEU A 113 18.913 11.205 -7.314 1.00 0.00 C ATOM 0 H LEU A 113 20.311 8.492 -5.083 1.00 0.00 H new ATOM 0 HA LEU A 113 19.739 8.699 -7.922 1.00 0.00 H new ATOM 0 HB2 LEU A 113 21.935 9.965 -6.224 1.00 0.00 H new ATOM 0 HB3 LEU A 113 21.425 10.499 -7.813 1.00 0.00 H new ATOM 0 HG LEU A 113 19.502 10.300 -5.448 1.00 0.00 H new ATOM 0 HD11 LEU A 113 19.772 12.758 -5.244 1.00 0.00 H new ATOM 0 HD12 LEU A 113 21.314 11.921 -4.947 1.00 0.00 H new ATOM 0 HD13 LEU A 113 21.025 12.725 -6.508 1.00 0.00 H new ATOM 0 HD21 LEU A 113 18.122 11.802 -6.861 1.00 0.00 H new ATOM 0 HD22 LEU A 113 19.378 11.771 -8.121 1.00 0.00 H new ATOM 0 HD23 LEU A 113 18.489 10.284 -7.714 1.00 0.00 H new ATOM 1834 N GLU A 114 22.472 7.149 -6.922 1.00 0.00 N ATOM 1835 CA GLU A 114 23.585 6.277 -7.405 1.00 0.00 C ATOM 1836 C GLU A 114 23.007 4.984 -7.992 1.00 0.00 C ATOM 1837 O GLU A 114 23.326 4.573 -9.090 1.00 0.00 O ATOM 1838 CB GLU A 114 24.467 5.926 -6.208 1.00 0.00 C ATOM 1839 CG GLU A 114 25.932 5.851 -6.631 1.00 0.00 C ATOM 1840 CD GLU A 114 26.056 5.072 -7.942 1.00 0.00 C ATOM 1841 OE1 GLU A 114 25.930 5.687 -8.988 1.00 0.00 O ATOM 1842 OE2 GLU A 114 26.273 3.873 -7.876 1.00 0.00 O ATOM 0 H GLU A 114 22.401 7.232 -5.908 1.00 0.00 H new ATOM 0 HA GLU A 114 24.161 6.795 -8.171 1.00 0.00 H new ATOM 0 HB2 GLU A 114 24.345 6.676 -5.426 1.00 0.00 H new ATOM 0 HB3 GLU A 114 24.154 4.971 -5.785 1.00 0.00 H new ATOM 0 HG2 GLU A 114 26.336 6.856 -6.755 1.00 0.00 H new ATOM 0 HG3 GLU A 114 26.520 5.365 -5.852 1.00 0.00 H new ATOM 1849 N ARG A 115 22.160 4.356 -7.238 1.00 0.00 N ATOM 1850 CA ARG A 115 21.512 3.085 -7.658 1.00 0.00 C ATOM 1851 C ARG A 115 20.628 3.346 -8.873 1.00 0.00 C ATOM 1852 O ARG A 115 20.708 2.676 -9.882 1.00 0.00 O ATOM 1853 CB ARG A 115 20.628 2.603 -6.501 1.00 0.00 C ATOM 1854 CG ARG A 115 20.686 1.077 -6.408 1.00 0.00 C ATOM 1855 CD ARG A 115 22.063 0.650 -5.897 1.00 0.00 C ATOM 1856 NE ARG A 115 22.848 0.060 -7.017 1.00 0.00 N ATOM 1857 CZ ARG A 115 23.414 -1.108 -6.873 1.00 0.00 C ATOM 1858 NH1 ARG A 115 24.209 -1.327 -5.861 1.00 0.00 N ATOM 1859 NH2 ARG A 115 23.185 -2.055 -7.742 1.00 0.00 N ATOM 0 H ARG A 115 21.878 4.681 -6.313 1.00 0.00 H new ATOM 0 HA ARG A 115 22.267 2.340 -7.909 1.00 0.00 H new ATOM 0 HB2 ARG A 115 20.965 3.047 -5.564 1.00 0.00 H new ATOM 0 HB3 ARG A 115 19.599 2.929 -6.657 1.00 0.00 H new ATOM 0 HG2 ARG A 115 19.908 0.713 -5.737 1.00 0.00 H new ATOM 0 HG3 ARG A 115 20.496 0.635 -7.386 1.00 0.00 H new ATOM 0 HD2 ARG A 115 22.591 1.509 -5.482 1.00 0.00 H new ATOM 0 HD3 ARG A 115 21.955 -0.077 -5.092 1.00 0.00 H new ATOM 0 HE ARG A 115 22.943 0.568 -7.896 1.00 0.00 H new ATOM 0 HH11 ARG A 115 24.388 -0.586 -5.183 1.00 0.00 H new ATOM 0 HH12 ARG A 115 24.651 -2.239 -5.748 1.00 0.00 H new ATOM 0 HH21 ARG A 115 22.564 -1.882 -8.533 1.00 0.00 H new ATOM 0 HH22 ARG A 115 23.627 -2.968 -7.630 1.00 0.00 H new ATOM 1873 N LEU A 116 19.791 4.327 -8.761 1.00 0.00 N ATOM 1874 CA LEU A 116 18.875 4.683 -9.876 1.00 0.00 C ATOM 1875 C LEU A 116 19.700 5.021 -11.133 1.00 0.00 C ATOM 1876 O LEU A 116 19.325 4.661 -12.231 1.00 0.00 O ATOM 1877 CB LEU A 116 18.052 5.901 -9.452 1.00 0.00 C ATOM 1878 CG LEU A 116 16.954 6.157 -10.482 1.00 0.00 C ATOM 1879 CD1 LEU A 116 15.594 5.795 -9.880 1.00 0.00 C ATOM 1880 CD2 LEU A 116 16.959 7.635 -10.878 1.00 0.00 C ATOM 0 H LEU A 116 19.698 4.911 -7.930 1.00 0.00 H new ATOM 0 HA LEU A 116 18.214 3.847 -10.104 1.00 0.00 H new ATOM 0 HB2 LEU A 116 17.611 5.731 -8.470 1.00 0.00 H new ATOM 0 HB3 LEU A 116 18.696 6.776 -9.366 1.00 0.00 H new ATOM 0 HG LEU A 116 17.135 5.544 -11.365 1.00 0.00 H new ATOM 0 HD11 LEU A 116 14.810 5.978 -10.615 1.00 0.00 H new ATOM 0 HD12 LEU A 116 15.589 4.742 -9.599 1.00 0.00 H new ATOM 0 HD13 LEU A 116 15.413 6.407 -8.997 1.00 0.00 H new ATOM 0 HD21 LEU A 116 16.175 7.817 -11.613 1.00 0.00 H new ATOM 0 HD22 LEU A 116 16.779 8.249 -9.995 1.00 0.00 H new ATOM 0 HD23 LEU A 116 17.927 7.893 -11.308 1.00 0.00 H new ATOM 1892 N LYS A 117 20.818 5.711 -10.997 1.00 0.00 N ATOM 1893 CA LYS A 117 21.625 6.050 -12.207 1.00 0.00 C ATOM 1894 C LYS A 117 22.212 4.777 -12.821 1.00 0.00 C ATOM 1895 O LYS A 117 22.227 4.610 -14.025 1.00 0.00 O ATOM 1896 CB LYS A 117 22.760 6.995 -11.813 1.00 0.00 C ATOM 1897 CG LYS A 117 23.463 7.503 -13.072 1.00 0.00 C ATOM 1898 CD LYS A 117 24.973 7.310 -12.929 1.00 0.00 C ATOM 1899 CE LYS A 117 25.535 8.364 -11.974 1.00 0.00 C ATOM 1900 NZ LYS A 117 25.527 7.829 -10.583 1.00 0.00 N ATOM 0 H LYS A 117 21.195 6.046 -10.111 1.00 0.00 H new ATOM 0 HA LYS A 117 20.981 6.535 -12.941 1.00 0.00 H new ATOM 0 HB2 LYS A 117 22.366 7.834 -11.240 1.00 0.00 H new ATOM 0 HB3 LYS A 117 23.472 6.477 -11.170 1.00 0.00 H new ATOM 0 HG2 LYS A 117 23.099 6.964 -13.947 1.00 0.00 H new ATOM 0 HG3 LYS A 117 23.234 8.557 -13.228 1.00 0.00 H new ATOM 0 HD2 LYS A 117 25.188 6.310 -12.551 1.00 0.00 H new ATOM 0 HD3 LYS A 117 25.455 7.393 -13.903 1.00 0.00 H new ATOM 0 HE2 LYS A 117 26.551 8.631 -12.267 1.00 0.00 H new ATOM 0 HE3 LYS A 117 24.938 9.274 -12.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 26.266 8.303 -10.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 24.599 8.005 -10.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 25.711 6.806 -10.604 1.00 0.00 H new ATOM 1914 N THR A 118 22.704 3.886 -12.010 1.00 0.00 N ATOM 1915 CA THR A 118 23.302 2.633 -12.553 1.00 0.00 C ATOM 1916 C THR A 118 22.251 1.845 -13.340 1.00 0.00 C ATOM 1917 O THR A 118 22.560 1.189 -14.316 1.00 0.00 O ATOM 1918 CB THR A 118 23.819 1.775 -11.396 1.00 0.00 C ATOM 1919 OG1 THR A 118 24.686 2.554 -10.583 1.00 0.00 O ATOM 1920 CG2 THR A 118 24.582 0.571 -11.951 1.00 0.00 C ATOM 0 H THR A 118 22.719 3.969 -10.994 1.00 0.00 H new ATOM 0 HA THR A 118 24.125 2.891 -13.219 1.00 0.00 H new ATOM 0 HB THR A 118 22.977 1.424 -10.799 1.00 0.00 H new ATOM 0 HG1 THR A 118 24.154 3.151 -10.016 1.00 0.00 H new ATOM 0 HG21 THR A 118 24.949 -0.039 -11.126 1.00 0.00 H new ATOM 0 HG22 THR A 118 23.916 -0.026 -12.575 1.00 0.00 H new ATOM 0 HG23 THR A 118 25.425 0.918 -12.549 1.00 0.00 H new ATOM 1928 N ILE A 119 21.014 1.887 -12.923 1.00 0.00 N ATOM 1929 CA ILE A 119 19.960 1.128 -13.647 1.00 0.00 C ATOM 1930 C ILE A 119 19.679 1.761 -15.009 1.00 0.00 C ATOM 1931 O ILE A 119 19.652 1.092 -16.017 1.00 0.00 O ATOM 1932 CB ILE A 119 18.687 1.137 -12.820 1.00 0.00 C ATOM 1933 CG1 ILE A 119 18.969 0.760 -11.352 1.00 0.00 C ATOM 1934 CG2 ILE A 119 17.686 0.148 -13.415 1.00 0.00 C ATOM 1935 CD1 ILE A 119 20.222 -0.116 -11.244 1.00 0.00 C ATOM 0 H ILE A 119 20.690 2.415 -12.112 1.00 0.00 H new ATOM 0 HA ILE A 119 20.305 0.105 -13.801 1.00 0.00 H new ATOM 0 HB ILE A 119 18.275 2.146 -12.840 1.00 0.00 H new ATOM 0 HG12 ILE A 119 19.101 1.665 -10.759 1.00 0.00 H new ATOM 0 HG13 ILE A 119 18.112 0.229 -10.938 1.00 0.00 H new ATOM 0 HG21 ILE A 119 16.772 0.154 -12.821 1.00 0.00 H new ATOM 0 HG22 ILE A 119 17.455 0.437 -14.440 1.00 0.00 H new ATOM 0 HG23 ILE A 119 18.116 -0.853 -13.408 1.00 0.00 H new ATOM 0 HD11 ILE A 119 20.400 -0.369 -10.199 1.00 0.00 H new ATOM 0 HD12 ILE A 119 20.077 -1.031 -11.819 1.00 0.00 H new ATOM 0 HD13 ILE A 119 21.081 0.428 -11.637 1.00 0.00 H new ATOM 1947 N MET A 120 19.447 3.042 -15.042 1.00 0.00 N ATOM 1948 CA MET A 120 19.141 3.722 -16.337 1.00 0.00 C ATOM 1949 C MET A 120 20.266 3.512 -17.339 1.00 0.00 C ATOM 1950 O MET A 120 20.027 3.357 -18.512 1.00 0.00 O ATOM 1951 CB MET A 120 18.961 5.215 -16.089 1.00 0.00 C ATOM 1952 CG MET A 120 17.590 5.455 -15.466 1.00 0.00 C ATOM 1953 SD MET A 120 17.774 6.236 -13.848 1.00 0.00 S ATOM 1954 CE MET A 120 16.045 6.070 -13.340 1.00 0.00 C ATOM 0 H MET A 120 19.455 3.653 -14.225 1.00 0.00 H new ATOM 0 HA MET A 120 18.226 3.294 -16.747 1.00 0.00 H new ATOM 0 HB2 MET A 120 19.745 5.583 -15.427 1.00 0.00 H new ATOM 0 HB3 MET A 120 19.050 5.765 -17.026 1.00 0.00 H new ATOM 0 HG2 MET A 120 16.991 6.090 -16.119 1.00 0.00 H new ATOM 0 HG3 MET A 120 17.057 4.509 -15.364 1.00 0.00 H new ATOM 0 HE1 MET A 120 15.698 7.013 -12.918 1.00 0.00 H new ATOM 0 HE2 MET A 120 15.434 5.813 -14.206 1.00 0.00 H new ATOM 0 HE3 MET A 120 15.960 5.284 -12.590 1.00 0.00 H new ATOM 1964 N ARG A 121 21.484 3.512 -16.907 1.00 0.00 N ATOM 1965 CA ARG A 121 22.592 3.304 -17.878 1.00 0.00 C ATOM 1966 C ARG A 121 22.467 1.902 -18.471 1.00 0.00 C ATOM 1967 O ARG A 121 22.724 1.681 -19.637 1.00 0.00 O ATOM 1968 CB ARG A 121 23.929 3.423 -17.152 1.00 0.00 C ATOM 1969 CG ARG A 121 24.697 4.636 -17.684 1.00 0.00 C ATOM 1970 CD ARG A 121 25.194 4.344 -19.100 1.00 0.00 C ATOM 1971 NE ARG A 121 26.497 3.623 -19.031 1.00 0.00 N ATOM 1972 CZ ARG A 121 27.552 4.227 -18.558 1.00 0.00 C ATOM 1973 NH1 ARG A 121 27.798 4.204 -17.277 1.00 0.00 N ATOM 1974 NH2 ARG A 121 28.363 4.854 -19.366 1.00 0.00 N ATOM 0 H ARG A 121 21.766 3.645 -15.936 1.00 0.00 H new ATOM 0 HA ARG A 121 22.539 4.052 -18.669 1.00 0.00 H new ATOM 0 HB2 ARG A 121 23.764 3.526 -16.080 1.00 0.00 H new ATOM 0 HB3 ARG A 121 24.516 2.516 -17.298 1.00 0.00 H new ATOM 0 HG2 ARG A 121 24.052 5.515 -17.687 1.00 0.00 H new ATOM 0 HG3 ARG A 121 25.540 4.861 -17.031 1.00 0.00 H new ATOM 0 HD2 ARG A 121 24.461 3.742 -19.637 1.00 0.00 H new ATOM 0 HD3 ARG A 121 25.310 5.275 -19.655 1.00 0.00 H new ATOM 0 HE ARG A 121 26.564 2.658 -19.354 1.00 0.00 H new ATOM 0 HH11 ARG A 121 27.165 3.714 -16.645 1.00 0.00 H new ATOM 0 HH12 ARG A 121 28.623 4.676 -16.908 1.00 0.00 H new ATOM 0 HH21 ARG A 121 28.172 4.872 -20.368 1.00 0.00 H new ATOM 0 HH22 ARG A 121 29.188 5.326 -18.996 1.00 0.00 H new ATOM 1988 N GLU A 122 22.080 0.953 -17.667 1.00 0.00 N ATOM 1989 CA GLU A 122 21.941 -0.447 -18.168 1.00 0.00 C ATOM 1990 C GLU A 122 20.733 -0.565 -19.114 1.00 0.00 C ATOM 1991 O GLU A 122 20.807 -1.235 -20.126 1.00 0.00 O ATOM 1992 CB GLU A 122 21.761 -1.417 -16.981 1.00 0.00 C ATOM 1993 CG GLU A 122 23.007 -1.422 -16.077 1.00 0.00 C ATOM 1994 CD GLU A 122 22.603 -1.874 -14.671 1.00 0.00 C ATOM 1995 OE1 GLU A 122 21.507 -1.539 -14.254 1.00 0.00 O ATOM 1996 OE2 GLU A 122 23.398 -2.548 -14.036 1.00 0.00 O ATOM 0 H GLU A 122 21.853 1.084 -16.681 1.00 0.00 H new ATOM 0 HA GLU A 122 22.846 -0.707 -18.716 1.00 0.00 H new ATOM 0 HB2 GLU A 122 20.886 -1.126 -16.399 1.00 0.00 H new ATOM 0 HB3 GLU A 122 21.575 -2.424 -17.355 1.00 0.00 H new ATOM 0 HG2 GLU A 122 23.765 -2.092 -16.484 1.00 0.00 H new ATOM 0 HG3 GLU A 122 23.449 -0.426 -16.040 1.00 0.00 H new ATOM 2003 N LYS A 123 19.620 0.065 -18.815 1.00 0.00 N ATOM 2004 CA LYS A 123 18.445 -0.051 -19.728 1.00 0.00 C ATOM 2005 C LYS A 123 18.728 0.720 -21.016 1.00 0.00 C ATOM 2006 O LYS A 123 18.392 0.297 -22.105 1.00 0.00 O ATOM 2007 CB LYS A 123 17.208 0.534 -19.044 1.00 0.00 C ATOM 2008 CG LYS A 123 16.076 0.665 -20.065 1.00 0.00 C ATOM 2009 CD LYS A 123 15.848 -0.684 -20.752 1.00 0.00 C ATOM 2010 CE LYS A 123 14.574 -0.619 -21.597 1.00 0.00 C ATOM 2011 NZ LYS A 123 13.476 -1.340 -20.894 1.00 0.00 N ATOM 0 H LYS A 123 19.478 0.646 -17.989 1.00 0.00 H new ATOM 0 HA LYS A 123 18.267 -1.100 -19.963 1.00 0.00 H new ATOM 0 HB2 LYS A 123 16.897 -0.108 -18.220 1.00 0.00 H new ATOM 0 HB3 LYS A 123 17.442 1.509 -18.617 1.00 0.00 H new ATOM 0 HG2 LYS A 123 15.162 0.992 -19.570 1.00 0.00 H new ATOM 0 HG3 LYS A 123 16.326 1.424 -20.806 1.00 0.00 H new ATOM 0 HD2 LYS A 123 16.702 -0.932 -21.382 1.00 0.00 H new ATOM 0 HD3 LYS A 123 15.762 -1.474 -20.006 1.00 0.00 H new ATOM 0 HE2 LYS A 123 14.291 0.420 -21.768 1.00 0.00 H new ATOM 0 HE3 LYS A 123 14.750 -1.067 -22.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 12.609 -1.297 -21.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 13.748 -2.334 -20.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 13.303 -0.894 -19.971 1.00 0.00 H new ATOM 2025 N TYR A 124 19.342 1.855 -20.883 1.00 0.00 N ATOM 2026 CA TYR A 124 19.665 2.700 -22.063 1.00 0.00 C ATOM 2027 C TYR A 124 20.773 2.033 -22.886 1.00 0.00 C ATOM 2028 O TYR A 124 20.851 2.194 -24.088 1.00 0.00 O ATOM 2029 CB TYR A 124 20.131 4.083 -21.576 1.00 0.00 C ATOM 2030 CG TYR A 124 20.105 5.083 -22.714 1.00 0.00 C ATOM 2031 CD1 TYR A 124 19.689 4.696 -23.997 1.00 0.00 C ATOM 2032 CD2 TYR A 124 20.499 6.405 -22.479 1.00 0.00 C ATOM 2033 CE1 TYR A 124 19.669 5.631 -25.039 1.00 0.00 C ATOM 2034 CE2 TYR A 124 20.479 7.339 -23.523 1.00 0.00 C ATOM 2035 CZ TYR A 124 20.066 6.952 -24.801 1.00 0.00 C ATOM 2036 OH TYR A 124 20.046 7.874 -25.829 1.00 0.00 O ATOM 0 H TYR A 124 19.641 2.243 -19.988 1.00 0.00 H new ATOM 0 HA TYR A 124 18.781 2.814 -22.690 1.00 0.00 H new ATOM 0 HB2 TYR A 124 19.486 4.427 -20.767 1.00 0.00 H new ATOM 0 HB3 TYR A 124 21.140 4.011 -21.170 1.00 0.00 H new ATOM 0 HD1 TYR A 124 19.384 3.676 -24.181 1.00 0.00 H new ATOM 0 HD2 TYR A 124 20.819 6.705 -21.492 1.00 0.00 H new ATOM 0 HE1 TYR A 124 19.347 5.333 -26.026 1.00 0.00 H new ATOM 0 HE2 TYR A 124 20.783 8.359 -23.340 1.00 0.00 H new ATOM 0 HH TYR A 124 20.350 8.743 -25.495 1.00 0.00 H new ATOM 2046 N SER A 125 21.630 1.284 -22.249 1.00 0.00 N ATOM 2047 CA SER A 125 22.731 0.610 -22.992 1.00 0.00 C ATOM 2048 C SER A 125 22.230 -0.713 -23.578 1.00 0.00 C ATOM 2049 O SER A 125 23.006 -1.556 -23.982 1.00 0.00 O ATOM 2050 CB SER A 125 23.894 0.334 -22.037 1.00 0.00 C ATOM 2051 OG SER A 125 25.028 -0.085 -22.782 1.00 0.00 O ATOM 0 H SER A 125 21.615 1.109 -21.244 1.00 0.00 H new ATOM 0 HA SER A 125 23.066 1.258 -23.802 1.00 0.00 H new ATOM 0 HB2 SER A 125 24.132 1.232 -21.467 1.00 0.00 H new ATOM 0 HB3 SER A 125 23.613 -0.435 -21.318 1.00 0.00 H new ATOM 0 HG SER A 125 24.752 -0.738 -23.459 1.00 0.00 H new ATOM 2057 N LYS A 126 20.939 -0.907 -23.629 1.00 0.00 N ATOM 2058 CA LYS A 126 20.398 -2.175 -24.191 1.00 0.00 C ATOM 2059 C LYS A 126 19.640 -1.875 -25.486 1.00 0.00 C ATOM 2060 O LYS A 126 18.608 -2.455 -25.761 1.00 0.00 O ATOM 2061 CB LYS A 126 19.446 -2.819 -23.181 1.00 0.00 C ATOM 2062 CG LYS A 126 19.277 -4.302 -23.514 1.00 0.00 C ATOM 2063 CD LYS A 126 18.803 -5.056 -22.269 1.00 0.00 C ATOM 2064 CE LYS A 126 17.740 -6.081 -22.666 1.00 0.00 C ATOM 2065 NZ LYS A 126 16.807 -6.297 -21.525 1.00 0.00 N ATOM 0 H LYS A 126 20.237 -0.241 -23.305 1.00 0.00 H new ATOM 0 HA LYS A 126 21.221 -2.859 -24.400 1.00 0.00 H new ATOM 0 HB2 LYS A 126 19.839 -2.705 -22.171 1.00 0.00 H new ATOM 0 HB3 LYS A 126 18.479 -2.317 -23.206 1.00 0.00 H new ATOM 0 HG2 LYS A 126 18.556 -4.424 -24.322 1.00 0.00 H new ATOM 0 HG3 LYS A 126 20.222 -4.716 -23.865 1.00 0.00 H new ATOM 0 HD2 LYS A 126 19.645 -5.557 -21.792 1.00 0.00 H new ATOM 0 HD3 LYS A 126 18.394 -4.356 -21.541 1.00 0.00 H new ATOM 0 HE2 LYS A 126 17.189 -5.730 -23.539 1.00 0.00 H new ATOM 0 HE3 LYS A 126 18.214 -7.022 -22.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 16.084 -6.994 -21.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 17.339 -6.650 -20.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 16.346 -5.398 -21.279 1.00 0.00 H new