USER MOD reduce.3.24.130724 H: found=0, std=0, add=1024, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1027 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 124 THR OG1 : rot 122:sc= -1.87 USER MOD Set 1.2: A 126 ASN :FLIP amide:sc= -6.56! C(o=-12!,f=-8.4!) USER MOD Set 2.1: A 117 SER OG : rot 73:sc= 1.74 USER MOD Set 2.2: A 130 HIS : +bothHN:sc= -6.71! C(o=-5!,f=-17!) USER MOD Set 3.1: A 69 ASN : amide:sc= -3.24! C(o=-10!,f=-14!) USER MOD Set 3.2: A 74 HIS : no HD1:sc= -3.72! C(o=-10!,f=-15!) USER MOD Set 3.3: A 97 GLN : amide:sc= -3.59! C(o=-10!,f=-13!) USER MOD Set 3.4: A 99 SER OG : rot 160:sc= 0.129 USER MOD Set 4.1: A 5 LYS NZ :NH3+ 164:sc= -1.68! (180deg=0) USER MOD Set 4.2: A 13 GLN : amide:sc= -1.55! C(o=-3.2!,f=-8.6!) USER MOD Set 5.1: A 6 SER OG : rot -170:sc=-0.00424 USER MOD Set 5.2: A 8 HIS : no HD1:sc= -2.22 K(o=-2.6,f=-4.7!) USER MOD Set 5.3: A 125 THR OG1 : rot 180:sc= -0.402 USER MOD Single : A 10 LYS NZ :NH3+ -132:sc= -0.0232 (180deg=-1.04) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -170:sc= -0.0603 (180deg=-0.253) USER MOD Single : A 34 THR OG1 : rot -35:sc= 0.266 USER MOD Single : A 35 GLN : amide:sc= -4.74! C(o=-4.7!,f=-5.6!) USER MOD Single : A 40 THR OG1 : rot -100:sc= -0.61 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0791 USER MOD Single : A 46 ASN : amide:sc= -0.174 K(o=-0.17,f=-5.6!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.386 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.124 X(o=-0.12,f=0) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.0993 F(o=-1.7!,f=-0.099) USER MOD Single : A 73 TYR OH : rot -98:sc= 1.37 USER MOD Single : A 76 THR OG1 : rot -110:sc= -0.627 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0205 USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -140:sc= -0.058 USER MOD Single : A 96 THR OG1 : rot 171:sc= -0.0315 USER MOD Single : A 100 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.182) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 ASN : amide:sc=-0.00689 X(o=-0.0069,f=-0.14) USER MOD Single : A 109 THR OG1 : rot 81:sc= 0.0633 USER MOD Single : A 113 ASN :FLIP amide:sc= -1.67 F(o=-3.4!,f=-1.7) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot -120:sc= -0.432 USER MOD Single : A 123 MET CE :methyl -165:sc=-0.00893 (180deg=-0.0433) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 50 N LYS A 5 -13.936 10.185 2.995 1.00 0.00 N ATOM 51 CA LYS A 5 -13.505 9.283 1.929 1.00 0.00 C ATOM 52 C LYS A 5 -12.967 7.974 2.502 1.00 0.00 C ATOM 53 O LYS A 5 -12.142 7.975 3.413 1.00 0.00 O ATOM 54 CB LYS A 5 -12.418 9.951 1.074 1.00 0.00 C ATOM 55 CG LYS A 5 -13.035 11.079 0.246 1.00 0.00 C ATOM 56 CD LYS A 5 -13.226 10.608 -1.198 1.00 0.00 C ATOM 57 CE LYS A 5 -13.998 11.668 -1.983 1.00 0.00 C ATOM 58 NZ LYS A 5 -13.387 11.824 -3.331 1.00 0.00 N ATOM 0 HA LYS A 5 -14.373 9.062 1.308 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -11.630 10.346 1.715 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -11.955 9.215 0.416 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.993 11.375 0.673 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -12.390 11.957 0.271 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -12.257 10.429 -1.664 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -13.767 9.662 -1.214 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -15.044 11.377 -2.077 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -13.978 12.618 -1.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -14.049 12.327 -3.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -12.504 12.368 -3.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -13.180 10.886 -3.729 1.00 0.00 H new ATOM 72 N SER A 6 -13.439 6.857 1.960 1.00 0.00 N ATOM 73 CA SER A 6 -12.994 5.547 2.428 1.00 0.00 C ATOM 74 C SER A 6 -11.901 5.002 1.517 1.00 0.00 C ATOM 75 O SER A 6 -11.564 5.612 0.502 1.00 0.00 O ATOM 76 CB SER A 6 -14.163 4.567 2.456 1.00 0.00 C ATOM 77 OG SER A 6 -15.334 5.217 1.980 1.00 0.00 O ATOM 0 H SER A 6 -14.123 6.830 1.204 1.00 0.00 H new ATOM 0 HA SER A 6 -12.598 5.663 3.437 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.939 3.698 1.837 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.323 4.203 3.471 1.00 0.00 H new ATOM 0 HG SER A 6 -16.114 4.647 2.143 1.00 0.00 H new ATOM 83 N LEU A 7 -11.346 3.853 1.885 1.00 0.00 N ATOM 84 CA LEU A 7 -10.289 3.251 1.088 1.00 0.00 C ATOM 85 C LEU A 7 -10.789 2.925 -0.319 1.00 0.00 C ATOM 86 O LEU A 7 -10.317 3.497 -1.303 1.00 0.00 O ATOM 87 CB LEU A 7 -9.796 1.967 1.761 1.00 0.00 C ATOM 88 CG LEU A 7 -8.801 2.318 2.872 1.00 0.00 C ATOM 89 CD1 LEU A 7 -8.852 1.256 3.973 1.00 0.00 C ATOM 90 CD2 LEU A 7 -7.392 2.352 2.290 1.00 0.00 C ATOM 0 H LEU A 7 -11.607 3.327 2.719 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.469 3.965 1.013 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -10.639 1.415 2.176 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.321 1.318 1.025 1.00 0.00 H new ATOM 0 HG LEU A 7 -9.061 3.290 3.290 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.142 1.513 4.759 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.857 1.214 4.392 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.593 0.284 3.553 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.679 2.601 3.076 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.146 1.375 1.874 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.342 3.104 1.503 1.00 0.00 H new ATOM 102 N HIS A 8 -11.758 2.018 -0.407 1.00 0.00 N ATOM 103 CA HIS A 8 -12.320 1.627 -1.700 1.00 0.00 C ATOM 104 C HIS A 8 -12.807 2.853 -2.458 1.00 0.00 C ATOM 105 O HIS A 8 -12.578 2.983 -3.661 1.00 0.00 O ATOM 106 CB HIS A 8 -13.479 0.653 -1.489 1.00 0.00 C ATOM 107 CG HIS A 8 -14.317 1.103 -0.319 1.00 0.00 C ATOM 108 ND1 HIS A 8 -15.247 2.126 -0.425 1.00 0.00 N ATOM 109 CD2 HIS A 8 -14.383 0.672 0.985 1.00 0.00 C ATOM 110 CE1 HIS A 8 -15.826 2.276 0.780 1.00 0.00 C ATOM 111 NE2 HIS A 8 -15.336 1.416 1.677 1.00 0.00 N ATOM 0 H HIS A 8 -12.170 1.541 0.395 1.00 0.00 H new ATOM 0 HA HIS A 8 -11.542 1.139 -2.287 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -14.092 0.602 -2.389 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -13.094 -0.351 -1.308 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -13.787 -0.123 1.408 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -16.594 3.004 0.996 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -15.602 1.324 2.657 1.00 0.00 H new ATOM 120 N GLU A 9 -13.469 3.756 -1.750 1.00 0.00 N ATOM 121 CA GLU A 9 -13.971 4.972 -2.371 1.00 0.00 C ATOM 122 C GLU A 9 -12.855 5.655 -3.156 1.00 0.00 C ATOM 123 O GLU A 9 -13.033 6.031 -4.316 1.00 0.00 O ATOM 124 CB GLU A 9 -14.502 5.921 -1.298 1.00 0.00 C ATOM 125 CG GLU A 9 -15.530 6.867 -1.916 1.00 0.00 C ATOM 126 CD GLU A 9 -16.931 6.282 -1.769 1.00 0.00 C ATOM 127 OE1 GLU A 9 -17.687 6.801 -0.964 1.00 0.00 O ATOM 128 OE2 GLU A 9 -17.227 5.321 -2.460 1.00 0.00 O ATOM 0 H GLU A 9 -13.670 3.671 -0.754 1.00 0.00 H new ATOM 0 HA GLU A 9 -14.780 4.713 -3.054 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -14.957 5.352 -0.487 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -13.681 6.492 -0.865 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -15.480 7.840 -1.428 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -15.302 7.027 -2.970 1.00 0.00 H new ATOM 135 N LYS A 10 -11.697 5.805 -2.524 1.00 0.00 N ATOM 136 CA LYS A 10 -10.565 6.439 -3.185 1.00 0.00 C ATOM 137 C LYS A 10 -10.144 5.638 -4.410 1.00 0.00 C ATOM 138 O LYS A 10 -10.049 6.180 -5.510 1.00 0.00 O ATOM 139 CB LYS A 10 -9.384 6.552 -2.224 1.00 0.00 C ATOM 140 CG LYS A 10 -8.651 7.875 -2.468 1.00 0.00 C ATOM 141 CD LYS A 10 -9.500 9.052 -1.971 1.00 0.00 C ATOM 142 CE LYS A 10 -8.730 9.808 -0.886 1.00 0.00 C ATOM 143 NZ LYS A 10 -9.536 10.971 -0.419 1.00 0.00 N ATOM 0 H LYS A 10 -11.519 5.500 -1.567 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.871 7.437 -3.499 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.734 6.503 -1.193 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.702 5.714 -2.369 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.691 7.867 -1.953 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.441 7.992 -3.531 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -9.735 9.721 -2.799 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -10.448 8.689 -1.574 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.514 9.143 -0.050 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.772 10.150 -1.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.939 11.822 -0.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -10.335 11.123 -1.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.898 10.781 0.537 1.00 0.00 H new ATOM 157 N LEU A 11 -9.895 4.345 -4.214 1.00 0.00 N ATOM 158 CA LEU A 11 -9.486 3.482 -5.321 1.00 0.00 C ATOM 159 C LEU A 11 -10.535 3.515 -6.428 1.00 0.00 C ATOM 160 O LEU A 11 -10.245 3.196 -7.581 1.00 0.00 O ATOM 161 CB LEU A 11 -9.305 2.045 -4.830 1.00 0.00 C ATOM 162 CG LEU A 11 -8.403 2.040 -3.594 1.00 0.00 C ATOM 163 CD1 LEU A 11 -8.201 0.606 -3.102 1.00 0.00 C ATOM 164 CD2 LEU A 11 -7.045 2.655 -3.947 1.00 0.00 C ATOM 0 H LEU A 11 -9.968 3.876 -3.311 1.00 0.00 H new ATOM 0 HA LEU A 11 -8.538 3.848 -5.715 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -10.273 1.607 -4.589 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.865 1.433 -5.617 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.875 2.626 -2.806 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -7.558 0.610 -2.222 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -9.166 0.171 -2.844 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.735 0.014 -3.889 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.404 2.651 -3.066 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.576 2.072 -4.740 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.187 3.681 -4.287 1.00 0.00 H new ATOM 176 N LYS A 12 -11.753 3.906 -6.069 1.00 0.00 N ATOM 177 CA LYS A 12 -12.837 3.982 -7.039 1.00 0.00 C ATOM 178 C LYS A 12 -12.872 5.357 -7.694 1.00 0.00 C ATOM 179 O LYS A 12 -13.367 5.510 -8.811 1.00 0.00 O ATOM 180 CB LYS A 12 -14.178 3.691 -6.358 1.00 0.00 C ATOM 181 CG LYS A 12 -14.371 2.181 -6.197 1.00 0.00 C ATOM 182 CD LYS A 12 -15.462 1.911 -5.157 1.00 0.00 C ATOM 183 CE LYS A 12 -16.150 0.578 -5.466 1.00 0.00 C ATOM 184 NZ LYS A 12 -17.311 0.816 -6.370 1.00 0.00 N ATOM 0 H LYS A 12 -12.013 4.173 -5.120 1.00 0.00 H new ATOM 0 HA LYS A 12 -12.662 3.233 -7.811 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -14.212 4.176 -5.382 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -14.993 4.108 -6.949 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -14.647 1.735 -7.153 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -13.435 1.716 -5.887 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -15.027 1.884 -4.158 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -16.193 2.719 -5.164 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -15.444 -0.107 -5.935 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -16.485 0.107 -4.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -17.779 -0.089 -6.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -17.987 1.455 -5.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -16.978 1.248 -7.256 1.00 0.00 H new ATOM 198 N GLN A 13 -12.341 6.352 -6.999 1.00 0.00 N ATOM 199 CA GLN A 13 -12.315 7.707 -7.532 1.00 0.00 C ATOM 200 C GLN A 13 -10.949 8.019 -8.140 1.00 0.00 C ATOM 201 O GLN A 13 -10.738 9.101 -8.690 1.00 0.00 O ATOM 202 CB GLN A 13 -12.621 8.706 -6.417 1.00 0.00 C ATOM 203 CG GLN A 13 -14.118 9.015 -6.410 1.00 0.00 C ATOM 204 CD GLN A 13 -14.492 9.736 -5.121 1.00 0.00 C ATOM 205 OE1 GLN A 13 -14.060 9.339 -4.039 1.00 0.00 O ATOM 206 NE2 GLN A 13 -15.273 10.778 -5.173 1.00 0.00 N ATOM 0 H GLN A 13 -11.926 6.249 -6.073 1.00 0.00 H new ATOM 0 HA GLN A 13 -13.072 7.788 -8.313 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -12.318 8.296 -5.453 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -12.050 9.622 -6.567 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -14.375 9.633 -7.270 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -14.689 8.091 -6.499 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -15.629 11.104 -6.071 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -15.528 11.267 -4.315 1.00 0.00 H new ATOM 215 N ASP A 14 -10.026 7.065 -8.031 1.00 0.00 N ATOM 216 CA ASP A 14 -8.679 7.246 -8.565 1.00 0.00 C ATOM 217 C ASP A 14 -8.408 6.265 -9.704 1.00 0.00 C ATOM 218 O ASP A 14 -8.254 5.066 -9.479 1.00 0.00 O ATOM 219 CB ASP A 14 -7.656 7.030 -7.452 1.00 0.00 C ATOM 220 CG ASP A 14 -7.370 8.350 -6.746 1.00 0.00 C ATOM 221 OD1 ASP A 14 -6.204 8.676 -6.592 1.00 0.00 O ATOM 222 OD2 ASP A 14 -8.320 9.016 -6.369 1.00 0.00 O ATOM 0 H ASP A 14 -10.186 6.164 -7.580 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.595 8.260 -8.955 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -8.033 6.299 -6.736 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.734 6.623 -7.868 1.00 0.00 H new ATOM 227 N LYS A 15 -8.347 6.785 -10.927 1.00 0.00 N ATOM 228 CA LYS A 15 -8.089 5.945 -12.092 1.00 0.00 C ATOM 229 C LYS A 15 -6.696 5.327 -12.011 1.00 0.00 C ATOM 230 O LYS A 15 -6.459 4.235 -12.521 1.00 0.00 O ATOM 231 CB LYS A 15 -8.212 6.775 -13.368 1.00 0.00 C ATOM 232 CG LYS A 15 -9.635 7.320 -13.483 1.00 0.00 C ATOM 233 CD LYS A 15 -9.734 8.216 -14.715 1.00 0.00 C ATOM 234 CE LYS A 15 -11.116 8.870 -14.767 1.00 0.00 C ATOM 235 NZ LYS A 15 -11.044 10.237 -14.178 1.00 0.00 N ATOM 0 H LYS A 15 -8.472 7.776 -11.136 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.826 5.142 -12.110 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.496 7.597 -13.351 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.974 6.163 -14.238 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.347 6.498 -13.559 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -9.894 7.884 -12.587 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.959 8.982 -14.683 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.564 7.629 -15.618 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -11.465 8.925 -15.798 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.837 8.264 -14.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.984 10.680 -14.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.729 10.173 -13.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.369 10.813 -14.720 1.00 0.00 H new ATOM 249 N ARG A 16 -5.780 6.038 -11.367 1.00 0.00 N ATOM 250 CA ARG A 16 -4.409 5.552 -11.220 1.00 0.00 C ATOM 251 C ARG A 16 -4.399 4.157 -10.603 1.00 0.00 C ATOM 252 O ARG A 16 -3.503 3.355 -10.871 1.00 0.00 O ATOM 253 CB ARG A 16 -3.607 6.509 -10.332 1.00 0.00 C ATOM 254 CG ARG A 16 -4.422 7.777 -10.067 1.00 0.00 C ATOM 255 CD ARG A 16 -3.576 8.772 -9.273 1.00 0.00 C ATOM 256 NE ARG A 16 -3.095 9.845 -10.139 1.00 0.00 N ATOM 257 CZ ARG A 16 -3.938 10.683 -10.735 1.00 0.00 C ATOM 258 NH1 ARG A 16 -5.225 10.549 -10.557 1.00 0.00 N ATOM 259 NH2 ARG A 16 -3.481 11.638 -11.496 1.00 0.00 N ATOM 0 H ARG A 16 -5.957 6.947 -10.940 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.953 5.504 -12.209 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.358 6.022 -9.389 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.665 6.766 -10.817 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.737 8.223 -11.010 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.328 7.530 -9.513 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.167 9.192 -8.459 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.729 8.257 -8.819 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.092 9.954 -10.290 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.582 9.802 -9.961 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.873 11.191 -11.014 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.476 11.743 -11.635 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.129 12.280 -11.953 1.00 0.00 H new ATOM 273 N PHE A 17 -5.398 3.880 -9.770 1.00 0.00 N ATOM 274 CA PHE A 17 -5.499 2.583 -9.103 1.00 0.00 C ATOM 275 C PHE A 17 -6.670 1.770 -9.642 1.00 0.00 C ATOM 276 O PHE A 17 -7.244 0.942 -8.932 1.00 0.00 O ATOM 277 CB PHE A 17 -5.666 2.791 -7.597 1.00 0.00 C ATOM 278 CG PHE A 17 -4.762 3.913 -7.132 1.00 0.00 C ATOM 279 CD1 PHE A 17 -3.415 3.948 -7.525 1.00 0.00 C ATOM 280 CD2 PHE A 17 -5.270 4.914 -6.294 1.00 0.00 C ATOM 281 CE1 PHE A 17 -2.585 4.987 -7.087 1.00 0.00 C ATOM 282 CE2 PHE A 17 -4.439 5.953 -5.858 1.00 0.00 C ATOM 283 CZ PHE A 17 -3.095 5.987 -6.250 1.00 0.00 C ATOM 0 H PHE A 17 -6.147 4.533 -9.540 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.582 2.028 -9.301 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -6.704 3.029 -7.366 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.423 1.871 -7.064 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -3.019 3.174 -8.165 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.304 4.884 -5.984 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.550 5.017 -7.395 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.835 6.729 -5.219 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.452 6.784 -5.907 1.00 0.00 H new ATOM 293 N SER A 18 -7.009 1.993 -10.905 1.00 0.00 N ATOM 294 CA SER A 18 -8.100 1.264 -11.532 1.00 0.00 C ATOM 295 C SER A 18 -7.784 -0.228 -11.588 1.00 0.00 C ATOM 296 O SER A 18 -8.639 -1.081 -11.305 1.00 0.00 O ATOM 297 CB SER A 18 -8.301 1.780 -12.952 1.00 0.00 C ATOM 298 OG SER A 18 -9.355 2.734 -12.965 1.00 0.00 O ATOM 0 H SER A 18 -6.546 2.670 -11.512 1.00 0.00 H new ATOM 0 HA SER A 18 -9.005 1.415 -10.943 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.381 2.234 -13.319 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.537 0.952 -13.621 1.00 0.00 H new ATOM 0 HG SER A 18 -9.483 3.067 -13.878 1.00 0.00 H new ATOM 304 N THR A 19 -6.545 -0.543 -11.954 1.00 0.00 N ATOM 305 CA THR A 19 -6.131 -1.935 -12.047 1.00 0.00 C ATOM 306 C THR A 19 -6.343 -2.631 -10.711 1.00 0.00 C ATOM 307 O THR A 19 -6.913 -3.723 -10.645 1.00 0.00 O ATOM 308 CB THR A 19 -4.656 -2.025 -12.447 1.00 0.00 C ATOM 309 OG1 THR A 19 -4.414 -1.165 -13.551 1.00 0.00 O ATOM 310 CG2 THR A 19 -4.315 -3.465 -12.838 1.00 0.00 C ATOM 0 H THR A 19 -5.821 0.137 -12.187 1.00 0.00 H new ATOM 0 HA THR A 19 -6.735 -2.428 -12.809 1.00 0.00 H new ATOM 0 HB THR A 19 -4.033 -1.723 -11.605 1.00 0.00 H new ATOM 0 HG1 THR A 19 -3.470 -1.220 -13.808 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.264 -3.526 -13.122 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.501 -4.126 -11.991 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.937 -3.770 -13.680 1.00 0.00 H new ATOM 318 N PHE A 20 -5.877 -1.982 -9.650 1.00 0.00 N ATOM 319 CA PHE A 20 -6.015 -2.532 -8.313 1.00 0.00 C ATOM 320 C PHE A 20 -7.459 -2.870 -8.029 1.00 0.00 C ATOM 321 O PHE A 20 -7.761 -3.913 -7.461 1.00 0.00 O ATOM 322 CB PHE A 20 -5.508 -1.530 -7.279 1.00 0.00 C ATOM 323 CG PHE A 20 -4.033 -1.754 -7.029 1.00 0.00 C ATOM 324 CD1 PHE A 20 -3.510 -1.564 -5.745 1.00 0.00 C ATOM 325 CD2 PHE A 20 -3.189 -2.146 -8.080 1.00 0.00 C ATOM 326 CE1 PHE A 20 -2.145 -1.758 -5.508 1.00 0.00 C ATOM 327 CE2 PHE A 20 -1.824 -2.343 -7.843 1.00 0.00 C ATOM 328 CZ PHE A 20 -1.302 -2.150 -6.557 1.00 0.00 C ATOM 0 H PHE A 20 -5.403 -1.080 -9.692 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.420 -3.443 -8.251 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.676 -0.513 -7.632 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.065 -1.640 -6.349 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.161 -1.267 -4.936 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.593 -2.295 -9.070 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.741 -1.606 -4.518 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.173 -2.644 -8.651 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.249 -2.303 -6.374 1.00 0.00 H new ATOM 338 N LEU A 21 -8.349 -1.989 -8.430 1.00 0.00 N ATOM 339 CA LEU A 21 -9.756 -2.225 -8.206 1.00 0.00 C ATOM 340 C LEU A 21 -10.180 -3.540 -8.851 1.00 0.00 C ATOM 341 O LEU A 21 -10.884 -4.342 -8.238 1.00 0.00 O ATOM 342 CB LEU A 21 -10.577 -1.082 -8.799 1.00 0.00 C ATOM 343 CG LEU A 21 -11.830 -0.851 -7.945 1.00 0.00 C ATOM 344 CD1 LEU A 21 -12.689 0.218 -8.588 1.00 0.00 C ATOM 345 CD2 LEU A 21 -12.636 -2.148 -7.833 1.00 0.00 C ATOM 0 H LEU A 21 -8.127 -1.115 -8.906 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.932 -2.280 -7.132 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.978 -0.172 -8.837 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.862 -1.319 -9.824 1.00 0.00 H new ATOM 0 HG LEU A 21 -11.526 -0.531 -6.948 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -13.580 0.383 -7.982 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -12.122 1.146 -8.659 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -12.984 -0.104 -9.586 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -13.524 -1.973 -7.225 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -12.937 -2.477 -8.828 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -12.022 -2.919 -7.367 1.00 0.00 H new ATOM 357 N SER A 22 -9.744 -3.745 -10.089 1.00 0.00 N ATOM 358 CA SER A 22 -10.112 -4.957 -10.818 1.00 0.00 C ATOM 359 C SER A 22 -9.621 -6.232 -10.134 1.00 0.00 C ATOM 360 O SER A 22 -10.402 -7.139 -9.836 1.00 0.00 O ATOM 361 CB SER A 22 -9.550 -4.904 -12.241 1.00 0.00 C ATOM 362 OG SER A 22 -10.465 -5.523 -13.132 1.00 0.00 O ATOM 0 H SER A 22 -9.145 -3.100 -10.604 1.00 0.00 H new ATOM 0 HA SER A 22 -11.201 -4.991 -10.838 1.00 0.00 H new ATOM 0 HB2 SER A 22 -9.379 -3.869 -12.538 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.586 -5.411 -12.282 1.00 0.00 H new ATOM 0 HG SER A 22 -10.108 -5.489 -14.044 1.00 0.00 H new ATOM 368 N LEU A 23 -8.321 -6.307 -9.917 1.00 0.00 N ATOM 369 CA LEU A 23 -7.718 -7.486 -9.303 1.00 0.00 C ATOM 370 C LEU A 23 -8.156 -7.670 -7.858 1.00 0.00 C ATOM 371 O LEU A 23 -8.542 -8.769 -7.460 1.00 0.00 O ATOM 372 CB LEU A 23 -6.187 -7.389 -9.374 1.00 0.00 C ATOM 373 CG LEU A 23 -5.708 -6.030 -8.823 1.00 0.00 C ATOM 374 CD1 LEU A 23 -5.284 -6.173 -7.360 1.00 0.00 C ATOM 375 CD2 LEU A 23 -4.505 -5.530 -9.622 1.00 0.00 C ATOM 0 H LEU A 23 -7.659 -5.569 -10.155 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.061 -8.356 -9.863 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.738 -8.200 -8.800 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.856 -7.507 -10.406 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.533 -5.322 -8.906 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.948 -5.207 -6.983 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.131 -6.519 -6.768 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.470 -6.895 -7.286 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.177 -4.570 -9.223 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.692 -6.252 -9.546 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.787 -5.411 -10.668 1.00 0.00 H new ATOM 387 N LEU A 24 -8.069 -6.610 -7.066 1.00 0.00 N ATOM 388 CA LEU A 24 -8.435 -6.721 -5.661 1.00 0.00 C ATOM 389 C LEU A 24 -9.863 -7.214 -5.513 1.00 0.00 C ATOM 390 O LEU A 24 -10.173 -7.960 -4.585 1.00 0.00 O ATOM 391 CB LEU A 24 -8.223 -5.391 -4.931 1.00 0.00 C ATOM 392 CG LEU A 24 -9.484 -4.522 -5.005 1.00 0.00 C ATOM 393 CD1 LEU A 24 -10.511 -4.928 -3.937 1.00 0.00 C ATOM 394 CD2 LEU A 24 -9.102 -3.065 -4.752 1.00 0.00 C ATOM 0 H LEU A 24 -7.756 -5.685 -7.362 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.780 -7.458 -5.196 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.967 -5.580 -3.889 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.382 -4.858 -5.374 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.923 -4.656 -5.994 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -11.392 -4.291 -4.019 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.800 -5.968 -4.087 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.071 -4.813 -2.947 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.994 -2.441 -4.803 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.651 -2.973 -3.764 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.388 -2.740 -5.508 1.00 0.00 H new ATOM 406 N GLU A 25 -10.730 -6.826 -6.444 1.00 0.00 N ATOM 407 CA GLU A 25 -12.116 -7.279 -6.388 1.00 0.00 C ATOM 408 C GLU A 25 -12.206 -8.773 -6.689 1.00 0.00 C ATOM 409 O GLU A 25 -12.988 -9.494 -6.067 1.00 0.00 O ATOM 410 CB GLU A 25 -12.966 -6.524 -7.415 1.00 0.00 C ATOM 411 CG GLU A 25 -13.684 -5.364 -6.736 1.00 0.00 C ATOM 412 CD GLU A 25 -14.362 -4.487 -7.776 1.00 0.00 C ATOM 413 OE1 GLU A 25 -15.257 -3.747 -7.407 1.00 0.00 O ATOM 414 OE2 GLU A 25 -13.982 -4.576 -8.933 1.00 0.00 O ATOM 0 H GLU A 25 -10.506 -6.214 -7.228 1.00 0.00 H new ATOM 0 HA GLU A 25 -12.489 -7.084 -5.382 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -12.334 -6.151 -8.221 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -13.693 -7.199 -7.867 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -14.424 -5.746 -6.033 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -12.972 -4.773 -6.159 1.00 0.00 H new ATOM 421 N ALA A 26 -11.418 -9.237 -7.652 1.00 0.00 N ATOM 422 CA ALA A 26 -11.446 -10.649 -8.019 1.00 0.00 C ATOM 423 C ALA A 26 -10.961 -11.521 -6.868 1.00 0.00 C ATOM 424 O ALA A 26 -11.472 -12.622 -6.655 1.00 0.00 O ATOM 425 CB ALA A 26 -10.567 -10.891 -9.247 1.00 0.00 C ATOM 0 H ALA A 26 -10.761 -8.667 -8.186 1.00 0.00 H new ATOM 0 HA ALA A 26 -12.477 -10.917 -8.250 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.595 -11.948 -9.512 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -10.938 -10.297 -10.083 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.541 -10.601 -9.023 1.00 0.00 H new ATOM 431 N ALA A 27 -9.976 -11.027 -6.131 1.00 0.00 N ATOM 432 CA ALA A 27 -9.430 -11.777 -5.005 1.00 0.00 C ATOM 433 C ALA A 27 -10.365 -11.705 -3.803 1.00 0.00 C ATOM 434 O ALA A 27 -10.198 -12.444 -2.834 1.00 0.00 O ATOM 435 CB ALA A 27 -8.066 -11.210 -4.616 1.00 0.00 C ATOM 0 H ALA A 27 -9.541 -10.118 -6.289 1.00 0.00 H new ATOM 0 HA ALA A 27 -9.324 -12.819 -5.308 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.664 -11.774 -3.775 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.385 -11.287 -5.463 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.175 -10.163 -4.332 1.00 0.00 H new ATOM 441 N ASP A 28 -11.341 -10.803 -3.875 1.00 0.00 N ATOM 442 CA ASP A 28 -12.297 -10.627 -2.787 1.00 0.00 C ATOM 443 C ASP A 28 -11.693 -9.751 -1.687 1.00 0.00 C ATOM 444 O ASP A 28 -11.857 -10.037 -0.500 1.00 0.00 O ATOM 445 CB ASP A 28 -12.692 -11.990 -2.205 1.00 0.00 C ATOM 446 CG ASP A 28 -14.126 -11.951 -1.688 1.00 0.00 C ATOM 447 OD1 ASP A 28 -15.012 -12.350 -2.424 1.00 0.00 O ATOM 448 OD2 ASP A 28 -14.315 -11.526 -0.560 1.00 0.00 O ATOM 0 H ASP A 28 -11.490 -10.185 -4.673 1.00 0.00 H new ATOM 0 HA ASP A 28 -13.186 -10.137 -3.183 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -12.595 -12.761 -2.969 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -12.014 -12.257 -1.395 1.00 0.00 H new ATOM 453 N LEU A 29 -10.987 -8.688 -2.084 1.00 0.00 N ATOM 454 CA LEU A 29 -10.364 -7.791 -1.109 1.00 0.00 C ATOM 455 C LEU A 29 -11.205 -6.536 -0.931 1.00 0.00 C ATOM 456 O LEU A 29 -10.727 -5.499 -0.464 1.00 0.00 O ATOM 457 CB LEU A 29 -8.946 -7.416 -1.552 1.00 0.00 C ATOM 458 CG LEU A 29 -7.919 -8.332 -0.862 1.00 0.00 C ATOM 459 CD1 LEU A 29 -7.763 -7.956 0.611 1.00 0.00 C ATOM 460 CD2 LEU A 29 -8.358 -9.801 -0.964 1.00 0.00 C ATOM 0 H LEU A 29 -10.834 -8.431 -3.059 1.00 0.00 H new ATOM 0 HA LEU A 29 -10.304 -8.312 -0.154 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.858 -7.508 -2.635 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.742 -6.375 -1.303 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.962 -8.203 -1.367 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.033 -8.616 1.080 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.422 -6.924 0.689 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.723 -8.060 1.117 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.621 -10.436 -0.471 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -9.326 -9.926 -0.480 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.438 -10.085 -2.013 1.00 0.00 H new ATOM 472 N LYS A 30 -12.469 -6.648 -1.307 1.00 0.00 N ATOM 473 CA LYS A 30 -13.402 -5.537 -1.201 1.00 0.00 C ATOM 474 C LYS A 30 -14.308 -5.682 0.022 1.00 0.00 C ATOM 475 O LYS A 30 -14.924 -4.710 0.464 1.00 0.00 O ATOM 476 CB LYS A 30 -14.268 -5.427 -2.477 1.00 0.00 C ATOM 477 CG LYS A 30 -14.697 -6.809 -3.026 1.00 0.00 C ATOM 478 CD LYS A 30 -16.001 -7.274 -2.370 1.00 0.00 C ATOM 479 CE LYS A 30 -16.013 -8.801 -2.288 1.00 0.00 C ATOM 480 NZ LYS A 30 -15.869 -9.369 -3.657 1.00 0.00 N ATOM 0 H LYS A 30 -12.874 -7.502 -1.690 1.00 0.00 H new ATOM 0 HA LYS A 30 -12.812 -4.628 -1.088 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -15.157 -4.835 -2.258 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.710 -4.892 -3.245 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -14.829 -6.751 -4.106 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -13.910 -7.540 -2.839 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -16.092 -6.845 -1.372 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -16.856 -6.923 -2.947 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -15.200 -9.149 -1.650 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -16.943 -9.145 -1.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -16.046 -10.393 -3.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -16.556 -8.917 -4.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -14.905 -9.194 -4.006 1.00 0.00 H new ATOM 494 N GLU A 31 -14.406 -6.897 0.558 1.00 0.00 N ATOM 495 CA GLU A 31 -15.265 -7.136 1.716 1.00 0.00 C ATOM 496 C GLU A 31 -14.614 -6.626 2.996 1.00 0.00 C ATOM 497 O GLU A 31 -15.086 -5.684 3.607 1.00 0.00 O ATOM 498 CB GLU A 31 -15.518 -8.636 1.844 1.00 0.00 C ATOM 499 CG GLU A 31 -16.972 -8.947 1.495 1.00 0.00 C ATOM 500 CD GLU A 31 -17.195 -10.455 1.503 1.00 0.00 C ATOM 501 OE1 GLU A 31 -16.233 -11.174 1.720 1.00 0.00 O ATOM 502 OE2 GLU A 31 -18.322 -10.869 1.290 1.00 0.00 O ATOM 0 H GLU A 31 -13.910 -7.720 0.216 1.00 0.00 H new ATOM 0 HA GLU A 31 -16.203 -6.601 1.571 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -14.850 -9.185 1.180 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -15.300 -8.966 2.860 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -17.638 -8.468 2.213 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -17.215 -8.540 0.514 1.00 0.00 H new ATOM 509 N LEU A 32 -13.517 -7.245 3.382 1.00 0.00 N ATOM 510 CA LEU A 32 -12.788 -6.843 4.581 1.00 0.00 C ATOM 511 C LEU A 32 -12.411 -5.363 4.506 1.00 0.00 C ATOM 512 O LEU A 32 -12.092 -4.733 5.510 1.00 0.00 O ATOM 513 CB LEU A 32 -11.524 -7.719 4.767 1.00 0.00 C ATOM 514 CG LEU A 32 -10.381 -7.314 3.803 1.00 0.00 C ATOM 515 CD1 LEU A 32 -9.065 -7.960 4.248 1.00 0.00 C ATOM 516 CD2 LEU A 32 -10.680 -7.790 2.376 1.00 0.00 C ATOM 0 H LEU A 32 -13.104 -8.033 2.884 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.436 -6.989 5.445 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.175 -7.635 5.796 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.782 -8.765 4.602 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.300 -6.227 3.822 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.268 -7.669 3.564 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.818 -7.626 5.256 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.172 -9.045 4.241 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.865 -7.495 1.716 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.779 -8.875 2.368 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.609 -7.338 2.029 1.00 0.00 H new ATOM 528 N LEU A 33 -12.401 -4.836 3.290 1.00 0.00 N ATOM 529 CA LEU A 33 -12.016 -3.448 3.052 1.00 0.00 C ATOM 530 C LEU A 33 -13.092 -2.474 3.501 1.00 0.00 C ATOM 531 O LEU A 33 -12.807 -1.309 3.792 1.00 0.00 O ATOM 532 CB LEU A 33 -11.757 -3.258 1.556 1.00 0.00 C ATOM 533 CG LEU A 33 -10.286 -2.911 1.295 1.00 0.00 C ATOM 534 CD1 LEU A 33 -9.928 -1.577 1.951 1.00 0.00 C ATOM 535 CD2 LEU A 33 -9.387 -4.000 1.862 1.00 0.00 C ATOM 0 H LEU A 33 -12.656 -5.350 2.447 1.00 0.00 H new ATOM 0 HA LEU A 33 -11.117 -3.240 3.633 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -12.021 -4.169 1.019 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -12.396 -2.464 1.170 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.137 -2.834 0.218 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.881 -1.345 1.756 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.557 -0.788 1.538 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.091 -1.645 3.027 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.344 -3.746 1.673 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.551 -4.084 2.936 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.622 -4.951 1.384 1.00 0.00 H new ATOM 547 N THR A 34 -14.324 -2.946 3.558 1.00 0.00 N ATOM 548 CA THR A 34 -15.423 -2.092 3.971 1.00 0.00 C ATOM 549 C THR A 34 -15.628 -2.201 5.474 1.00 0.00 C ATOM 550 O THR A 34 -16.412 -1.456 6.063 1.00 0.00 O ATOM 551 CB THR A 34 -16.708 -2.494 3.229 1.00 0.00 C ATOM 552 OG1 THR A 34 -17.748 -1.591 3.569 1.00 0.00 O ATOM 553 CG2 THR A 34 -17.128 -3.921 3.603 1.00 0.00 C ATOM 0 H THR A 34 -14.587 -3.904 3.327 1.00 0.00 H new ATOM 0 HA THR A 34 -15.183 -1.058 3.723 1.00 0.00 H new ATOM 0 HB THR A 34 -16.518 -2.458 2.156 1.00 0.00 H new ATOM 0 HG1 THR A 34 -17.649 -1.315 4.504 1.00 0.00 H new ATOM 0 HG21 THR A 34 -18.039 -4.184 3.066 1.00 0.00 H new ATOM 0 HG22 THR A 34 -16.334 -4.617 3.333 1.00 0.00 H new ATOM 0 HG23 THR A 34 -17.310 -3.977 4.676 1.00 0.00 H new ATOM 561 N GLN A 35 -14.923 -3.148 6.084 1.00 0.00 N ATOM 562 CA GLN A 35 -15.053 -3.361 7.516 1.00 0.00 C ATOM 563 C GLN A 35 -14.446 -2.196 8.302 1.00 0.00 C ATOM 564 O GLN A 35 -13.560 -1.498 7.802 1.00 0.00 O ATOM 565 CB GLN A 35 -14.372 -4.669 7.923 1.00 0.00 C ATOM 566 CG GLN A 35 -15.415 -5.783 8.013 1.00 0.00 C ATOM 567 CD GLN A 35 -16.216 -5.869 6.716 1.00 0.00 C ATOM 568 OE1 GLN A 35 -17.193 -5.140 6.537 1.00 0.00 O ATOM 569 NE2 GLN A 35 -15.868 -6.734 5.802 1.00 0.00 N ATOM 0 H GLN A 35 -14.265 -3.771 5.615 1.00 0.00 H new ATOM 0 HA GLN A 35 -16.116 -3.421 7.751 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.605 -4.933 7.195 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -13.872 -4.547 8.884 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -14.923 -6.736 8.208 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -16.086 -5.594 8.851 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -15.059 -7.337 5.952 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -16.405 -6.807 4.938 1.00 0.00 H new ATOM 578 N PRO A 36 -14.896 -1.974 9.520 1.00 0.00 N ATOM 579 CA PRO A 36 -14.370 -0.871 10.378 1.00 0.00 C ATOM 580 C PRO A 36 -13.036 -1.231 11.035 1.00 0.00 C ATOM 581 O PRO A 36 -12.852 -2.349 11.511 1.00 0.00 O ATOM 582 CB PRO A 36 -15.458 -0.701 11.435 1.00 0.00 C ATOM 583 CG PRO A 36 -16.061 -2.059 11.587 1.00 0.00 C ATOM 584 CD PRO A 36 -15.953 -2.739 10.219 1.00 0.00 C ATOM 0 HA PRO A 36 -14.167 0.033 9.804 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -15.041 -0.346 12.378 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -16.203 0.030 11.121 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -15.534 -2.634 12.349 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -17.102 -1.988 11.904 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -15.686 -3.791 10.317 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -16.898 -2.699 9.678 1.00 0.00 H new ATOM 592 N GLY A 37 -12.112 -0.271 11.061 1.00 0.00 N ATOM 593 CA GLY A 37 -10.807 -0.492 11.663 1.00 0.00 C ATOM 594 C GLY A 37 -9.792 0.505 11.116 1.00 0.00 C ATOM 595 O GLY A 37 -10.096 1.274 10.207 1.00 0.00 O ATOM 0 H GLY A 37 -12.247 0.662 10.672 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.878 -0.391 12.746 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.473 -1.509 11.459 1.00 0.00 H new ATOM 599 N ASP A 38 -8.589 0.476 11.673 1.00 0.00 N ATOM 600 CA ASP A 38 -7.522 1.371 11.229 1.00 0.00 C ATOM 601 C ASP A 38 -6.340 0.558 10.716 1.00 0.00 C ATOM 602 O ASP A 38 -5.701 -0.165 11.472 1.00 0.00 O ATOM 603 CB ASP A 38 -7.063 2.253 12.392 1.00 0.00 C ATOM 604 CG ASP A 38 -7.704 1.775 13.691 1.00 0.00 C ATOM 605 OD1 ASP A 38 -8.538 2.492 14.216 1.00 0.00 O ATOM 606 OD2 ASP A 38 -7.350 0.696 14.139 1.00 0.00 O ATOM 0 H ASP A 38 -8.325 -0.154 12.431 1.00 0.00 H new ATOM 0 HA ASP A 38 -7.904 2.000 10.425 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.977 2.220 12.478 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -7.336 3.291 12.202 1.00 0.00 H new ATOM 611 N TRP A 39 -6.065 0.675 9.422 1.00 0.00 N ATOM 612 CA TRP A 39 -4.960 -0.061 8.815 1.00 0.00 C ATOM 613 C TRP A 39 -4.190 0.850 7.860 1.00 0.00 C ATOM 614 O TRP A 39 -4.688 1.903 7.456 1.00 0.00 O ATOM 615 CB TRP A 39 -5.482 -1.286 8.035 1.00 0.00 C ATOM 616 CG TRP A 39 -6.191 -2.250 8.945 1.00 0.00 C ATOM 617 CD1 TRP A 39 -7.305 -1.975 9.635 1.00 0.00 C ATOM 618 CD2 TRP A 39 -5.864 -3.638 9.250 1.00 0.00 C ATOM 619 NE1 TRP A 39 -7.680 -3.084 10.366 1.00 0.00 N ATOM 620 CE2 TRP A 39 -6.818 -4.138 10.162 1.00 0.00 C ATOM 621 CE3 TRP A 39 -4.829 -4.492 8.841 1.00 0.00 C ATOM 622 CZ2 TRP A 39 -6.756 -5.444 10.644 1.00 0.00 C ATOM 623 CZ3 TRP A 39 -4.762 -5.810 9.319 1.00 0.00 C ATOM 624 CH2 TRP A 39 -5.722 -6.284 10.222 1.00 0.00 C ATOM 0 H TRP A 39 -6.587 1.267 8.776 1.00 0.00 H new ATOM 0 HA TRP A 39 -4.300 -0.403 9.612 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -6.162 -0.957 7.249 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -4.649 -1.790 7.545 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -7.829 -1.031 9.622 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -8.494 -3.118 10.980 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -4.078 -4.133 8.153 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -7.501 -5.804 11.338 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -3.967 -6.462 8.989 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -5.663 -7.297 10.592 1.00 0.00 H new ATOM 635 N THR A 40 -2.981 0.436 7.499 1.00 0.00 N ATOM 636 CA THR A 40 -2.156 1.211 6.581 1.00 0.00 C ATOM 637 C THR A 40 -2.185 0.583 5.194 1.00 0.00 C ATOM 638 O THR A 40 -1.721 -0.547 5.007 1.00 0.00 O ATOM 639 CB THR A 40 -0.714 1.271 7.090 1.00 0.00 C ATOM 640 OG1 THR A 40 -0.719 1.393 8.501 1.00 0.00 O ATOM 641 CG2 THR A 40 0.007 2.482 6.484 1.00 0.00 C ATOM 0 H THR A 40 -2.552 -0.429 7.827 1.00 0.00 H new ATOM 0 HA THR A 40 -2.556 2.223 6.523 1.00 0.00 H new ATOM 0 HB THR A 40 -0.195 0.359 6.797 1.00 0.00 H new ATOM 0 HG1 THR A 40 -0.568 2.329 8.749 1.00 0.00 H new ATOM 0 HG21 THR A 40 1.032 2.517 6.852 1.00 0.00 H new ATOM 0 HG22 THR A 40 0.014 2.395 5.397 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.513 3.396 6.771 1.00 0.00 H new ATOM 649 N LEU A 41 -2.750 1.313 4.229 1.00 0.00 N ATOM 650 CA LEU A 41 -2.855 0.797 2.869 1.00 0.00 C ATOM 651 C LEU A 41 -1.733 1.325 1.990 1.00 0.00 C ATOM 652 O LEU A 41 -1.618 2.530 1.763 1.00 0.00 O ATOM 653 CB LEU A 41 -4.236 1.169 2.284 1.00 0.00 C ATOM 654 CG LEU A 41 -4.398 0.726 0.806 1.00 0.00 C ATOM 655 CD1 LEU A 41 -3.662 1.662 -0.150 1.00 0.00 C ATOM 656 CD2 LEU A 41 -3.859 -0.680 0.594 1.00 0.00 C ATOM 0 H LEU A 41 -3.135 2.248 4.364 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.759 -0.288 2.897 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.018 0.706 2.886 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.377 2.248 2.353 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.467 0.756 0.593 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.800 1.317 -1.175 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.061 2.671 -0.050 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.599 1.666 0.091 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.986 -0.964 -0.451 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.800 -0.706 0.852 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.404 -1.378 1.229 1.00 0.00 H new ATOM 668 N PHE A 42 -0.917 0.395 1.493 1.00 0.00 N ATOM 669 CA PHE A 42 0.196 0.736 0.614 1.00 0.00 C ATOM 670 C PHE A 42 -0.238 0.559 -0.829 1.00 0.00 C ATOM 671 O PHE A 42 -0.527 -0.557 -1.263 1.00 0.00 O ATOM 672 CB PHE A 42 1.405 -0.157 0.903 1.00 0.00 C ATOM 673 CG PHE A 42 2.258 0.521 1.936 1.00 0.00 C ATOM 674 CD1 PHE A 42 1.799 0.635 3.253 1.00 0.00 C ATOM 675 CD2 PHE A 42 3.501 1.048 1.574 1.00 0.00 C ATOM 676 CE1 PHE A 42 2.583 1.283 4.208 1.00 0.00 C ATOM 677 CE2 PHE A 42 4.286 1.694 2.532 1.00 0.00 C ATOM 678 CZ PHE A 42 3.825 1.812 3.848 1.00 0.00 C ATOM 0 H PHE A 42 -1.008 -0.602 1.686 1.00 0.00 H new ATOM 0 HA PHE A 42 0.484 1.772 0.791 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.079 -1.133 1.262 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.977 -0.328 -0.009 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.840 0.222 3.530 1.00 0.00 H new ATOM 0 HD2 PHE A 42 3.853 0.956 0.557 1.00 0.00 H new ATOM 0 HE1 PHE A 42 2.230 1.376 5.225 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.248 2.102 2.257 1.00 0.00 H new ATOM 0 HZ PHE A 42 4.431 2.314 4.588 1.00 0.00 H new ATOM 688 N VAL A 43 -0.292 1.666 -1.571 1.00 0.00 N ATOM 689 CA VAL A 43 -0.713 1.615 -2.966 1.00 0.00 C ATOM 690 C VAL A 43 0.314 2.292 -3.881 1.00 0.00 C ATOM 691 O VAL A 43 0.486 3.509 -3.809 1.00 0.00 O ATOM 692 CB VAL A 43 -2.075 2.301 -3.141 1.00 0.00 C ATOM 693 CG1 VAL A 43 -2.196 3.535 -2.244 1.00 0.00 C ATOM 694 CG2 VAL A 43 -2.250 2.716 -4.606 1.00 0.00 C ATOM 0 H VAL A 43 -0.052 2.597 -1.232 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.794 0.565 -3.246 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.854 1.594 -2.854 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.172 3.998 -2.392 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.089 3.238 -1.201 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.413 4.249 -2.500 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.217 3.203 -4.733 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.455 3.408 -4.886 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.203 1.832 -5.243 1.00 0.00 H new ATOM 704 N PRO A 44 0.980 1.551 -4.750 1.00 0.00 N ATOM 705 CA PRO A 44 1.973 2.140 -5.685 1.00 0.00 C ATOM 706 C PRO A 44 1.307 2.730 -6.929 1.00 0.00 C ATOM 707 O PRO A 44 0.238 2.284 -7.341 1.00 0.00 O ATOM 708 CB PRO A 44 2.843 0.950 -6.052 1.00 0.00 C ATOM 709 CG PRO A 44 1.946 -0.237 -5.970 1.00 0.00 C ATOM 710 CD PRO A 44 0.873 0.091 -4.937 1.00 0.00 C ATOM 0 HA PRO A 44 2.527 2.968 -5.241 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.257 1.061 -7.054 1.00 0.00 H new ATOM 0 HB3 PRO A 44 3.686 0.854 -5.367 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.496 -0.449 -6.940 1.00 0.00 H new ATOM 0 HG3 PRO A 44 2.506 -1.125 -5.677 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -0.118 -0.193 -5.290 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.044 -0.443 -4.002 1.00 0.00 H new ATOM 718 N THR A 45 1.944 3.736 -7.527 1.00 0.00 N ATOM 719 CA THR A 45 1.392 4.366 -8.718 1.00 0.00 C ATOM 720 C THR A 45 1.842 3.637 -9.982 1.00 0.00 C ATOM 721 O THR A 45 2.603 2.675 -9.918 1.00 0.00 O ATOM 722 CB THR A 45 1.836 5.823 -8.782 1.00 0.00 C ATOM 723 OG1 THR A 45 3.174 5.931 -8.317 1.00 0.00 O ATOM 724 CG2 THR A 45 0.917 6.659 -7.901 1.00 0.00 C ATOM 0 H THR A 45 2.831 4.126 -7.209 1.00 0.00 H new ATOM 0 HA THR A 45 0.305 4.315 -8.660 1.00 0.00 H new ATOM 0 HB THR A 45 1.785 6.182 -9.810 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.460 6.867 -8.359 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.227 7.703 -7.940 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.109 6.571 -8.259 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.975 6.302 -6.873 1.00 0.00 H new ATOM 732 N ASN A 46 1.363 4.103 -11.132 1.00 0.00 N ATOM 733 CA ASN A 46 1.728 3.487 -12.399 1.00 0.00 C ATOM 734 C ASN A 46 3.240 3.539 -12.599 1.00 0.00 C ATOM 735 O ASN A 46 3.806 2.742 -13.347 1.00 0.00 O ATOM 736 CB ASN A 46 1.027 4.208 -13.552 1.00 0.00 C ATOM 737 CG ASN A 46 1.308 5.704 -13.478 1.00 0.00 C ATOM 738 OD1 ASN A 46 1.119 6.321 -12.429 1.00 0.00 O ATOM 739 ND2 ASN A 46 1.751 6.328 -14.535 1.00 0.00 N ATOM 0 H ASN A 46 0.728 4.897 -11.211 1.00 0.00 H new ATOM 0 HA ASN A 46 1.412 2.444 -12.383 1.00 0.00 H new ATOM 0 HB2 ASN A 46 1.375 3.811 -14.506 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -0.047 4.028 -13.505 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.942 7.329 -14.494 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.907 5.815 -15.402 1.00 0.00 H new ATOM 746 N ASP A 47 3.883 4.482 -11.922 1.00 0.00 N ATOM 747 CA ASP A 47 5.330 4.639 -12.023 1.00 0.00 C ATOM 748 C ASP A 47 6.046 3.424 -11.437 1.00 0.00 C ATOM 749 O ASP A 47 7.253 3.257 -11.614 1.00 0.00 O ATOM 750 CB ASP A 47 5.779 5.911 -11.298 1.00 0.00 C ATOM 751 CG ASP A 47 5.735 7.092 -12.262 1.00 0.00 C ATOM 752 OD1 ASP A 47 4.748 7.214 -12.971 1.00 0.00 O ATOM 753 OD2 ASP A 47 6.686 7.854 -12.280 1.00 0.00 O ATOM 0 H ASP A 47 3.428 5.148 -11.298 1.00 0.00 H new ATOM 0 HA ASP A 47 5.592 4.722 -13.078 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.131 6.102 -10.443 1.00 0.00 H new ATOM 0 HB3 ASP A 47 6.789 5.783 -10.910 1.00 0.00 H new ATOM 758 N ALA A 48 5.300 2.590 -10.730 1.00 0.00 N ATOM 759 CA ALA A 48 5.871 1.399 -10.116 1.00 0.00 C ATOM 760 C ALA A 48 5.772 0.187 -11.043 1.00 0.00 C ATOM 761 O ALA A 48 6.600 -0.724 -10.980 1.00 0.00 O ATOM 762 CB ALA A 48 5.122 1.108 -8.822 1.00 0.00 C ATOM 0 H ALA A 48 4.301 2.714 -10.567 1.00 0.00 H new ATOM 0 HA ALA A 48 6.927 1.584 -9.918 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.540 0.218 -8.352 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.222 1.957 -8.145 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.067 0.941 -9.042 1.00 0.00 H new ATOM 768 N PHE A 49 4.743 0.174 -11.886 1.00 0.00 N ATOM 769 CA PHE A 49 4.525 -0.941 -12.804 1.00 0.00 C ATOM 770 C PHE A 49 5.375 -0.817 -14.055 1.00 0.00 C ATOM 771 O PHE A 49 5.764 -1.825 -14.644 1.00 0.00 O ATOM 772 CB PHE A 49 3.043 -1.004 -13.206 1.00 0.00 C ATOM 773 CG PHE A 49 2.146 -0.856 -11.987 1.00 0.00 C ATOM 774 CD1 PHE A 49 0.967 -0.106 -12.090 1.00 0.00 C ATOM 775 CD2 PHE A 49 2.481 -1.457 -10.760 1.00 0.00 C ATOM 776 CE1 PHE A 49 0.126 0.041 -10.980 1.00 0.00 C ATOM 777 CE2 PHE A 49 1.640 -1.311 -9.656 1.00 0.00 C ATOM 778 CZ PHE A 49 0.463 -0.559 -9.762 1.00 0.00 C ATOM 0 H PHE A 49 4.050 0.919 -11.953 1.00 0.00 H new ATOM 0 HA PHE A 49 4.815 -1.854 -12.284 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.822 -0.214 -13.924 1.00 0.00 H new ATOM 0 HB3 PHE A 49 2.836 -1.952 -13.702 1.00 0.00 H new ATOM 0 HD1 PHE A 49 0.706 0.360 -13.029 1.00 0.00 H new ATOM 0 HD2 PHE A 49 3.391 -2.032 -10.672 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.783 0.618 -11.064 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.897 -1.779 -8.717 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.183 -0.443 -8.905 1.00 0.00 H new ATOM 834 N THR A 53 7.865 -6.608 -17.201 1.00 0.00 N ATOM 835 CA THR A 53 7.701 -7.317 -18.462 1.00 0.00 C ATOM 836 C THR A 53 6.456 -8.192 -18.432 1.00 0.00 C ATOM 837 O THR A 53 5.993 -8.590 -17.362 1.00 0.00 O ATOM 838 CB THR A 53 8.926 -8.178 -18.733 1.00 0.00 C ATOM 839 OG1 THR A 53 9.227 -8.956 -17.582 1.00 0.00 O ATOM 840 CG2 THR A 53 10.099 -7.263 -19.060 1.00 0.00 C ATOM 0 HA THR A 53 7.589 -6.581 -19.258 1.00 0.00 H new ATOM 0 HB THR A 53 8.734 -8.849 -19.571 1.00 0.00 H new ATOM 0 HG1 THR A 53 10.015 -9.511 -17.759 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.986 -7.865 -19.257 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.861 -6.668 -19.942 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.290 -6.601 -18.216 1.00 0.00 H new ATOM 848 N SER A 54 5.919 -8.486 -19.609 1.00 0.00 N ATOM 849 CA SER A 54 4.728 -9.317 -19.705 1.00 0.00 C ATOM 850 C SER A 54 4.981 -10.681 -19.074 1.00 0.00 C ATOM 851 O SER A 54 4.100 -11.256 -18.440 1.00 0.00 O ATOM 852 CB SER A 54 4.328 -9.497 -21.169 1.00 0.00 C ATOM 853 OG SER A 54 3.157 -8.736 -21.431 1.00 0.00 O ATOM 0 H SER A 54 6.287 -8.164 -20.504 1.00 0.00 H new ATOM 0 HA SER A 54 3.918 -8.822 -19.169 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.139 -9.175 -21.822 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.147 -10.551 -21.382 1.00 0.00 H new ATOM 0 HG SER A 54 2.898 -8.847 -22.370 1.00 0.00 H new ATOM 859 N GLU A 55 6.194 -11.193 -19.251 1.00 0.00 N ATOM 860 CA GLU A 55 6.554 -12.491 -18.697 1.00 0.00 C ATOM 861 C GLU A 55 6.628 -12.419 -17.175 1.00 0.00 C ATOM 862 O GLU A 55 6.226 -13.354 -16.480 1.00 0.00 O ATOM 863 CB GLU A 55 7.905 -12.939 -19.259 1.00 0.00 C ATOM 864 CG GLU A 55 8.039 -14.456 -19.120 1.00 0.00 C ATOM 865 CD GLU A 55 9.483 -14.879 -19.366 1.00 0.00 C ATOM 866 OE1 GLU A 55 10.342 -14.014 -19.367 1.00 0.00 O ATOM 867 OE2 GLU A 55 9.710 -16.065 -19.549 1.00 0.00 O ATOM 0 H GLU A 55 6.940 -10.731 -19.771 1.00 0.00 H new ATOM 0 HA GLU A 55 5.788 -13.214 -18.977 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.988 -12.651 -20.307 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.715 -12.442 -18.726 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.726 -14.767 -18.123 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.380 -14.954 -19.831 1.00 0.00 H new ATOM 874 N GLU A 56 7.142 -11.305 -16.666 1.00 0.00 N ATOM 875 CA GLU A 56 7.265 -11.120 -15.225 1.00 0.00 C ATOM 876 C GLU A 56 5.912 -11.295 -14.546 1.00 0.00 C ATOM 877 O GLU A 56 5.757 -12.118 -13.643 1.00 0.00 O ATOM 878 CB GLU A 56 7.805 -9.719 -14.927 1.00 0.00 C ATOM 879 CG GLU A 56 9.284 -9.810 -14.552 1.00 0.00 C ATOM 880 CD GLU A 56 9.431 -10.418 -13.162 1.00 0.00 C ATOM 881 OE1 GLU A 56 9.874 -11.551 -13.077 1.00 0.00 O ATOM 882 OE2 GLU A 56 9.099 -9.741 -12.203 1.00 0.00 O ATOM 0 H GLU A 56 7.478 -10.521 -17.225 1.00 0.00 H new ATOM 0 HA GLU A 56 7.955 -11.870 -14.837 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.679 -9.077 -15.798 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.240 -9.266 -14.113 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.816 -10.419 -15.283 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.735 -8.818 -14.574 1.00 0.00 H new ATOM 889 N LYS A 57 4.925 -10.523 -14.989 1.00 0.00 N ATOM 890 CA LYS A 57 3.591 -10.617 -14.410 1.00 0.00 C ATOM 891 C LYS A 57 3.018 -12.012 -14.642 1.00 0.00 C ATOM 892 O LYS A 57 2.310 -12.550 -13.798 1.00 0.00 O ATOM 893 CB LYS A 57 2.673 -9.563 -15.028 1.00 0.00 C ATOM 894 CG LYS A 57 2.706 -9.673 -16.557 1.00 0.00 C ATOM 895 CD LYS A 57 1.748 -8.645 -17.169 1.00 0.00 C ATOM 896 CE LYS A 57 2.178 -7.233 -16.764 1.00 0.00 C ATOM 897 NZ LYS A 57 1.756 -6.262 -17.812 1.00 0.00 N ATOM 0 H LYS A 57 5.021 -9.835 -15.736 1.00 0.00 H new ATOM 0 HA LYS A 57 3.659 -10.437 -13.337 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.654 -9.699 -14.667 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.990 -8.567 -14.720 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.719 -9.503 -16.922 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.421 -10.679 -16.865 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.746 -8.737 -18.255 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.730 -8.836 -16.831 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.731 -6.967 -15.806 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.259 -7.195 -16.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.049 -5.303 -17.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 2.202 -6.513 -18.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.722 -6.291 -17.916 1.00 0.00 H new ATOM 911 N GLU A 58 3.326 -12.594 -15.793 1.00 0.00 N ATOM 912 CA GLU A 58 2.834 -13.919 -16.113 1.00 0.00 C ATOM 913 C GLU A 58 3.287 -14.925 -15.064 1.00 0.00 C ATOM 914 O GLU A 58 2.486 -15.692 -14.549 1.00 0.00 O ATOM 915 CB GLU A 58 3.356 -14.342 -17.488 1.00 0.00 C ATOM 916 CG GLU A 58 2.411 -15.368 -18.104 1.00 0.00 C ATOM 917 CD GLU A 58 2.901 -15.758 -19.495 1.00 0.00 C ATOM 918 OE1 GLU A 58 3.210 -14.863 -20.264 1.00 0.00 O ATOM 919 OE2 GLU A 58 2.963 -16.945 -19.770 1.00 0.00 O ATOM 0 H GLU A 58 3.910 -12.170 -16.514 1.00 0.00 H new ATOM 0 HA GLU A 58 1.744 -13.893 -16.126 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.438 -13.472 -18.140 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.356 -14.765 -17.393 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.355 -16.251 -17.468 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.404 -14.956 -18.166 1.00 0.00 H new ATOM 926 N ILE A 59 4.572 -14.922 -14.752 1.00 0.00 N ATOM 927 CA ILE A 59 5.097 -15.852 -13.759 1.00 0.00 C ATOM 928 C ILE A 59 4.488 -15.557 -12.387 1.00 0.00 C ATOM 929 O ILE A 59 4.363 -16.445 -11.543 1.00 0.00 O ATOM 930 CB ILE A 59 6.622 -15.736 -13.704 1.00 0.00 C ATOM 931 CG1 ILE A 59 7.206 -16.083 -15.080 1.00 0.00 C ATOM 932 CG2 ILE A 59 7.176 -16.710 -12.660 1.00 0.00 C ATOM 933 CD1 ILE A 59 8.491 -15.281 -15.330 1.00 0.00 C ATOM 0 H ILE A 59 5.265 -14.297 -15.164 1.00 0.00 H new ATOM 0 HA ILE A 59 4.829 -16.870 -14.042 1.00 0.00 H new ATOM 0 HB ILE A 59 6.898 -14.717 -13.431 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.419 -17.151 -15.134 1.00 0.00 H new ATOM 0 HG13 ILE A 59 6.475 -15.864 -15.859 1.00 0.00 H new ATOM 0 HG21 ILE A 59 8.262 -16.625 -12.623 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.760 -16.470 -11.682 1.00 0.00 H new ATOM 0 HG23 ILE A 59 6.901 -17.729 -12.931 1.00 0.00 H new ATOM 0 HD11 ILE A 59 8.895 -15.537 -16.310 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.267 -14.215 -15.297 1.00 0.00 H new ATOM 0 HD13 ILE A 59 9.225 -15.521 -14.561 1.00 0.00 H new ATOM 945 N LEU A 60 4.107 -14.305 -12.176 1.00 0.00 N ATOM 946 CA LEU A 60 3.513 -13.892 -10.916 1.00 0.00 C ATOM 947 C LEU A 60 2.090 -14.436 -10.796 1.00 0.00 C ATOM 948 O LEU A 60 1.770 -15.179 -9.869 1.00 0.00 O ATOM 949 CB LEU A 60 3.510 -12.351 -10.858 1.00 0.00 C ATOM 950 CG LEU A 60 2.367 -11.817 -9.986 1.00 0.00 C ATOM 951 CD1 LEU A 60 2.511 -12.393 -8.595 1.00 0.00 C ATOM 952 CD2 LEU A 60 2.434 -10.289 -9.894 1.00 0.00 C ATOM 0 H LEU A 60 4.200 -13.557 -12.864 1.00 0.00 H new ATOM 0 HA LEU A 60 4.094 -14.290 -10.084 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.463 -12.000 -10.463 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.416 -11.949 -11.867 1.00 0.00 H new ATOM 0 HG LEU A 60 1.414 -12.106 -10.429 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.705 -12.022 -7.962 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.462 -13.481 -8.645 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.470 -12.092 -8.174 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.616 -9.926 -9.272 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.385 -9.992 -9.452 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.348 -9.860 -10.892 1.00 0.00 H new ATOM 964 N ILE A 61 1.240 -14.046 -11.744 1.00 0.00 N ATOM 965 CA ILE A 61 -0.153 -14.477 -11.749 1.00 0.00 C ATOM 966 C ILE A 61 -0.245 -15.990 -11.937 1.00 0.00 C ATOM 967 O ILE A 61 -1.307 -16.583 -11.741 1.00 0.00 O ATOM 968 CB ILE A 61 -0.934 -13.768 -12.870 1.00 0.00 C ATOM 969 CG1 ILE A 61 -0.453 -14.252 -14.236 1.00 0.00 C ATOM 970 CG2 ILE A 61 -0.714 -12.259 -12.791 1.00 0.00 C ATOM 971 CD1 ILE A 61 -1.490 -15.192 -14.851 1.00 0.00 C ATOM 0 H ILE A 61 1.493 -13.432 -12.518 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.593 -14.211 -10.788 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.992 -13.999 -12.745 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.286 -13.400 -14.895 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.502 -14.767 -14.133 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.271 -11.768 -13.589 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.061 -11.891 -11.826 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.348 -12.040 -12.902 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.140 -15.533 -15.825 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.635 -16.051 -14.197 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.435 -14.663 -14.970 1.00 0.00 H new ATOM 983 N ARG A 62 0.870 -16.609 -12.316 1.00 0.00 N ATOM 984 CA ARG A 62 0.896 -18.052 -12.522 1.00 0.00 C ATOM 985 C ARG A 62 0.535 -18.774 -11.230 1.00 0.00 C ATOM 986 O ARG A 62 -0.051 -19.855 -11.257 1.00 0.00 O ATOM 987 CB ARG A 62 2.291 -18.497 -12.973 1.00 0.00 C ATOM 988 CG ARG A 62 2.225 -19.896 -13.591 1.00 0.00 C ATOM 989 CD ARG A 62 2.468 -19.793 -15.099 1.00 0.00 C ATOM 990 NE ARG A 62 3.859 -19.436 -15.357 1.00 0.00 N ATOM 991 CZ ARG A 62 4.216 -18.827 -16.485 1.00 0.00 C ATOM 992 NH1 ARG A 62 3.318 -18.543 -17.388 1.00 0.00 N ATOM 993 NH2 ARG A 62 5.466 -18.508 -16.685 1.00 0.00 N ATOM 0 H ARG A 62 1.759 -16.138 -12.485 1.00 0.00 H new ATOM 0 HA ARG A 62 0.168 -18.302 -13.294 1.00 0.00 H new ATOM 0 HB2 ARG A 62 2.689 -17.789 -13.700 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.973 -18.499 -12.123 1.00 0.00 H new ATOM 0 HG2 ARG A 62 2.973 -20.544 -13.134 1.00 0.00 H new ATOM 0 HG3 ARG A 62 1.251 -20.346 -13.397 1.00 0.00 H new ATOM 0 HD2 ARG A 62 2.233 -20.743 -15.579 1.00 0.00 H new ATOM 0 HD3 ARG A 62 1.805 -19.044 -15.532 1.00 0.00 H new ATOM 0 HE ARG A 62 4.570 -19.657 -14.660 1.00 0.00 H new ATOM 0 HH11 ARG A 62 2.341 -18.788 -17.230 1.00 0.00 H new ATOM 0 HH12 ARG A 62 3.593 -18.076 -18.252 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.167 -18.726 -15.977 1.00 0.00 H new ATOM 0 HH22 ARG A 62 5.741 -18.041 -17.549 1.00 0.00 H new ATOM 1007 N ASP A 63 0.894 -18.167 -10.102 1.00 0.00 N ATOM 1008 CA ASP A 63 0.607 -18.759 -8.801 1.00 0.00 C ATOM 1009 C ASP A 63 -0.435 -17.936 -8.054 1.00 0.00 C ATOM 1010 O ASP A 63 -0.287 -16.723 -7.891 1.00 0.00 O ATOM 1011 CB ASP A 63 1.887 -18.840 -7.966 1.00 0.00 C ATOM 1012 CG ASP A 63 2.440 -20.259 -8.003 1.00 0.00 C ATOM 1013 OD1 ASP A 63 1.706 -21.169 -7.654 1.00 0.00 O ATOM 1014 OD2 ASP A 63 3.590 -20.416 -8.379 1.00 0.00 O ATOM 0 H ASP A 63 1.381 -17.272 -10.063 1.00 0.00 H new ATOM 0 HA ASP A 63 0.214 -19.763 -8.962 1.00 0.00 H new ATOM 0 HB2 ASP A 63 2.629 -18.141 -8.352 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.679 -18.548 -6.937 1.00 0.00 H new ATOM 1019 N LYS A 64 -1.489 -18.602 -7.598 1.00 0.00 N ATOM 1020 CA LYS A 64 -2.541 -17.915 -6.864 1.00 0.00 C ATOM 1021 C LYS A 64 -1.958 -17.303 -5.599 1.00 0.00 C ATOM 1022 O LYS A 64 -2.283 -16.182 -5.226 1.00 0.00 O ATOM 1023 CB LYS A 64 -3.674 -18.914 -6.519 1.00 0.00 C ATOM 1024 CG LYS A 64 -4.486 -18.485 -5.270 1.00 0.00 C ATOM 1025 CD LYS A 64 -5.327 -17.237 -5.584 1.00 0.00 C ATOM 1026 CE LYS A 64 -6.660 -17.656 -6.221 1.00 0.00 C ATOM 1027 NZ LYS A 64 -6.952 -16.773 -7.385 1.00 0.00 N ATOM 0 H LYS A 64 -1.636 -19.604 -7.722 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.960 -17.117 -7.478 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -4.347 -19.004 -7.372 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -3.244 -19.901 -6.347 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -5.137 -19.300 -4.953 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -3.809 -18.277 -4.441 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.512 -16.672 -4.670 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.781 -16.580 -6.260 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.611 -18.696 -6.543 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.464 -17.587 -5.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -7.855 -17.056 -7.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.016 -15.786 -7.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -6.190 -16.860 -8.087 1.00 0.00 H new ATOM 1041 N ASN A 65 -1.105 -18.054 -4.931 1.00 0.00 N ATOM 1042 CA ASN A 65 -0.512 -17.580 -3.698 1.00 0.00 C ATOM 1043 C ASN A 65 0.454 -16.421 -3.952 1.00 0.00 C ATOM 1044 O ASN A 65 0.693 -15.597 -3.060 1.00 0.00 O ATOM 1045 CB ASN A 65 0.218 -18.728 -3.005 1.00 0.00 C ATOM 1046 CG ASN A 65 -0.689 -19.357 -1.949 1.00 0.00 C ATOM 1047 OD1 ASN A 65 -0.227 -19.696 -0.860 1.00 0.00 O ATOM 1048 ND2 ASN A 65 -1.959 -19.535 -2.205 1.00 0.00 N ATOM 0 H ASN A 65 -0.809 -18.987 -5.218 1.00 0.00 H new ATOM 0 HA ASN A 65 -1.311 -17.213 -3.054 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.512 -19.479 -3.738 1.00 0.00 H new ATOM 0 HB3 ASN A 65 1.133 -18.361 -2.540 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -2.567 -19.955 -1.502 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -2.342 -19.254 -3.108 1.00 0.00 H new ATOM 1055 N ALA A 66 1.013 -16.362 -5.161 1.00 0.00 N ATOM 1056 CA ALA A 66 1.962 -15.304 -5.502 1.00 0.00 C ATOM 1057 C ALA A 66 1.271 -13.954 -5.574 1.00 0.00 C ATOM 1058 O ALA A 66 1.562 -13.033 -4.788 1.00 0.00 O ATOM 1059 CB ALA A 66 2.615 -15.624 -6.854 1.00 0.00 C ATOM 0 H ALA A 66 0.828 -17.026 -5.912 1.00 0.00 H new ATOM 0 HA ALA A 66 2.723 -15.256 -4.723 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.323 -14.837 -7.111 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.140 -16.577 -6.788 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.846 -15.686 -7.624 1.00 0.00 H new ATOM 1065 N LEU A 67 0.330 -13.830 -6.501 1.00 0.00 N ATOM 1066 CA LEU A 67 -0.386 -12.576 -6.624 1.00 0.00 C ATOM 1067 C LEU A 67 -1.054 -12.237 -5.300 1.00 0.00 C ATOM 1068 O LEU A 67 -1.117 -11.073 -4.914 1.00 0.00 O ATOM 1069 CB LEU A 67 -1.413 -12.626 -7.780 1.00 0.00 C ATOM 1070 CG LEU A 67 -2.869 -12.742 -7.271 1.00 0.00 C ATOM 1071 CD1 LEU A 67 -3.835 -12.481 -8.426 1.00 0.00 C ATOM 1072 CD2 LEU A 67 -3.119 -14.148 -6.709 1.00 0.00 C ATOM 0 H LEU A 67 0.054 -14.560 -7.158 1.00 0.00 H new ATOM 0 HA LEU A 67 0.326 -11.787 -6.867 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.314 -11.727 -8.389 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.188 -13.475 -8.426 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.029 -12.007 -6.483 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.861 -12.563 -8.068 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.667 -11.479 -8.821 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.666 -13.215 -9.214 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.147 -14.220 -6.353 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.954 -14.888 -7.492 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.435 -14.336 -5.882 1.00 0.00 H new ATOM 1084 N GLN A 68 -1.583 -13.250 -4.622 1.00 0.00 N ATOM 1085 CA GLN A 68 -2.284 -13.023 -3.365 1.00 0.00 C ATOM 1086 C GLN A 68 -1.389 -12.276 -2.376 1.00 0.00 C ATOM 1087 O GLN A 68 -1.754 -11.224 -1.814 1.00 0.00 O ATOM 1088 CB GLN A 68 -2.726 -14.351 -2.743 1.00 0.00 C ATOM 1089 CG GLN A 68 -4.235 -14.566 -2.961 1.00 0.00 C ATOM 1090 CD GLN A 68 -5.028 -13.777 -1.937 1.00 0.00 C ATOM 1091 OE1 GLN A 68 -5.115 -12.487 -2.076 1.00 0.00 O flip ATOM 1092 NE2 GLN A 68 -5.582 -14.345 -0.993 1.00 0.00 N flip ATOM 0 H GLN A 68 -1.541 -14.225 -4.918 1.00 0.00 H new ATOM 0 HA GLN A 68 -3.165 -12.418 -3.580 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -2.166 -15.173 -3.189 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -2.502 -14.354 -1.676 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -4.513 -14.253 -3.967 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -4.475 -15.626 -2.879 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -5.508 -15.357 -0.892 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -6.114 -13.802 -0.313 1.00 0.00 H new ATOM 1101 N ASN A 69 -0.202 -12.820 -2.159 1.00 0.00 N ATOM 1102 CA ASN A 69 0.726 -12.198 -1.246 1.00 0.00 C ATOM 1103 C ASN A 69 0.897 -10.734 -1.613 1.00 0.00 C ATOM 1104 O ASN A 69 0.932 -9.864 -0.743 1.00 0.00 O ATOM 1105 CB ASN A 69 2.072 -12.909 -1.315 1.00 0.00 C ATOM 1106 CG ASN A 69 3.068 -12.052 -2.081 1.00 0.00 C ATOM 1107 OD1 ASN A 69 3.539 -11.037 -1.568 1.00 0.00 O ATOM 1108 ND2 ASN A 69 3.415 -12.402 -3.288 1.00 0.00 N ATOM 0 H ASN A 69 0.132 -13.678 -2.598 1.00 0.00 H new ATOM 0 HA ASN A 69 0.337 -12.271 -0.231 1.00 0.00 H new ATOM 0 HB2 ASN A 69 2.443 -13.103 -0.309 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.958 -13.876 -1.805 1.00 0.00 H new ATOM 0 HD21 ASN A 69 4.080 -11.834 -3.812 1.00 0.00 H new ATOM 0 HD22 ASN A 69 3.021 -13.244 -3.708 1.00 0.00 H new ATOM 1115 N ILE A 70 1.001 -10.465 -2.910 1.00 0.00 N ATOM 1116 CA ILE A 70 1.165 -9.088 -3.365 1.00 0.00 C ATOM 1117 C ILE A 70 -0.163 -8.335 -3.352 1.00 0.00 C ATOM 1118 O ILE A 70 -0.186 -7.120 -3.168 1.00 0.00 O ATOM 1119 CB ILE A 70 1.758 -9.063 -4.766 1.00 0.00 C ATOM 1120 CG1 ILE A 70 3.263 -9.316 -4.677 1.00 0.00 C ATOM 1121 CG2 ILE A 70 1.500 -7.696 -5.404 1.00 0.00 C ATOM 1122 CD1 ILE A 70 3.682 -10.209 -5.837 1.00 0.00 C ATOM 0 H ILE A 70 0.976 -11.165 -3.651 1.00 0.00 H new ATOM 0 HA ILE A 70 1.846 -8.590 -2.675 1.00 0.00 H new ATOM 0 HB ILE A 70 1.294 -9.837 -5.378 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.807 -8.372 -4.712 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.510 -9.791 -3.727 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.924 -7.677 -6.408 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.426 -7.518 -5.461 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.965 -6.918 -4.799 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.754 -10.396 -5.783 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.145 -11.156 -5.780 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.447 -9.715 -6.780 1.00 0.00 H new ATOM 1134 N ILE A 71 -1.267 -9.052 -3.536 1.00 0.00 N ATOM 1135 CA ILE A 71 -2.581 -8.415 -3.530 1.00 0.00 C ATOM 1136 C ILE A 71 -2.726 -7.552 -2.292 1.00 0.00 C ATOM 1137 O ILE A 71 -3.158 -6.402 -2.372 1.00 0.00 O ATOM 1138 CB ILE A 71 -3.689 -9.474 -3.543 1.00 0.00 C ATOM 1139 CG1 ILE A 71 -3.980 -9.905 -4.982 1.00 0.00 C ATOM 1140 CG2 ILE A 71 -4.962 -8.933 -2.890 1.00 0.00 C ATOM 1141 CD1 ILE A 71 -5.000 -8.961 -5.602 1.00 0.00 C ATOM 0 H ILE A 71 -1.280 -10.060 -3.689 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.671 -7.796 -4.422 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.350 -10.338 -2.971 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.060 -9.898 -5.567 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -4.359 -10.927 -4.997 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -5.736 -9.701 -2.910 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -4.752 -8.656 -1.857 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -5.307 -8.056 -3.437 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.206 -9.270 -6.627 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -5.922 -8.990 -5.022 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -4.603 -7.946 -5.602 1.00 0.00 H new ATOM 1153 N LEU A 72 -2.379 -8.109 -1.138 1.00 0.00 N ATOM 1154 CA LEU A 72 -2.509 -7.341 0.097 1.00 0.00 C ATOM 1155 C LEU A 72 -1.593 -6.123 0.090 1.00 0.00 C ATOM 1156 O LEU A 72 -1.704 -5.249 0.950 1.00 0.00 O ATOM 1157 CB LEU A 72 -2.178 -8.206 1.298 1.00 0.00 C ATOM 1158 CG LEU A 72 -3.020 -9.477 1.236 1.00 0.00 C ATOM 1159 CD1 LEU A 72 -2.116 -10.704 1.332 1.00 0.00 C ATOM 1160 CD2 LEU A 72 -3.994 -9.454 2.409 1.00 0.00 C ATOM 0 H LEU A 72 -2.017 -9.057 -1.029 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.543 -7.003 0.164 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.117 -8.456 1.302 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.381 -7.663 2.221 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.565 -9.525 0.293 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.723 -11.608 1.287 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.409 -10.701 0.503 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.570 -10.681 2.275 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.610 -10.353 2.388 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.436 -9.417 3.345 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.634 -8.575 2.334 1.00 0.00 H new ATOM 1172 N TYR A 73 -0.690 -6.073 -0.879 1.00 0.00 N ATOM 1173 CA TYR A 73 0.241 -4.959 -0.983 1.00 0.00 C ATOM 1174 C TYR A 73 0.855 -4.634 0.375 1.00 0.00 C ATOM 1175 O TYR A 73 1.051 -3.466 0.710 1.00 0.00 O ATOM 1176 CB TYR A 73 -0.467 -3.722 -1.538 1.00 0.00 C ATOM 1177 CG TYR A 73 -1.056 -4.039 -2.895 1.00 0.00 C ATOM 1178 CD1 TYR A 73 -0.215 -4.393 -3.958 1.00 0.00 C ATOM 1179 CD2 TYR A 73 -2.443 -3.986 -3.087 1.00 0.00 C ATOM 1180 CE1 TYR A 73 -0.758 -4.684 -5.212 1.00 0.00 C ATOM 1181 CE2 TYR A 73 -2.984 -4.278 -4.344 1.00 0.00 C ATOM 1182 CZ TYR A 73 -2.142 -4.631 -5.405 1.00 0.00 C ATOM 1183 OH TYR A 73 -2.672 -4.912 -6.643 1.00 0.00 O ATOM 0 H TYR A 73 -0.582 -6.786 -1.600 1.00 0.00 H new ATOM 0 HA TYR A 73 1.039 -5.251 -1.666 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -1.254 -3.404 -0.854 1.00 0.00 H new ATOM 0 HB3 TYR A 73 0.237 -2.894 -1.621 1.00 0.00 H new ATOM 0 HD1 TYR A 73 0.853 -4.441 -3.808 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -3.093 -3.720 -2.267 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.108 -4.950 -6.033 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -4.052 -4.231 -4.496 1.00 0.00 H new ATOM 0 HH TYR A 73 -2.847 -4.075 -7.122 1.00 0.00 H new ATOM 1193 N HIS A 74 1.163 -5.674 1.149 1.00 0.00 N ATOM 1194 CA HIS A 74 1.766 -5.474 2.462 1.00 0.00 C ATOM 1195 C HIS A 74 0.839 -4.659 3.354 1.00 0.00 C ATOM 1196 O HIS A 74 1.260 -3.679 3.971 1.00 0.00 O ATOM 1197 CB HIS A 74 3.111 -4.754 2.318 1.00 0.00 C ATOM 1198 CG HIS A 74 3.934 -5.415 1.242 1.00 0.00 C ATOM 1199 ND1 HIS A 74 3.404 -5.770 0.009 1.00 0.00 N ATOM 1200 CD2 HIS A 74 5.255 -5.789 1.201 1.00 0.00 C ATOM 1201 CE1 HIS A 74 4.393 -6.328 -0.712 1.00 0.00 C ATOM 1202 NE2 HIS A 74 5.541 -6.365 -0.034 1.00 0.00 N ATOM 0 H HIS A 74 1.007 -6.649 0.893 1.00 0.00 H new ATOM 0 HA HIS A 74 1.928 -6.449 2.921 1.00 0.00 H new ATOM 0 HB2 HIS A 74 2.947 -3.705 2.070 1.00 0.00 H new ATOM 0 HB3 HIS A 74 3.649 -4.777 3.266 1.00 0.00 H new ATOM 0 HD2 HIS A 74 5.964 -5.656 2.005 1.00 0.00 H new ATOM 0 HE1 HIS A 74 4.272 -6.701 -1.718 1.00 0.00 H new ATOM 0 HE2 HIS A 74 6.436 -6.736 -0.352 1.00 0.00 H new ATOM 1211 N LEU A 75 -0.424 -5.075 3.427 1.00 0.00 N ATOM 1212 CA LEU A 75 -1.394 -4.377 4.260 1.00 0.00 C ATOM 1213 C LEU A 75 -1.016 -4.531 5.724 1.00 0.00 C ATOM 1214 O LEU A 75 -0.752 -5.640 6.182 1.00 0.00 O ATOM 1215 CB LEU A 75 -2.794 -4.957 4.033 1.00 0.00 C ATOM 1216 CG LEU A 75 -3.757 -4.424 5.099 1.00 0.00 C ATOM 1217 CD1 LEU A 75 -3.792 -2.896 5.021 1.00 0.00 C ATOM 1218 CD2 LEU A 75 -5.151 -4.994 4.847 1.00 0.00 C ATOM 0 H LEU A 75 -0.794 -5.882 2.925 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.395 -3.320 3.992 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.152 -4.688 3.039 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.758 -6.046 4.075 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.422 -4.726 6.092 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.475 -2.509 5.777 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.792 -2.500 5.198 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.133 -2.590 4.032 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.840 -4.618 5.603 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.495 -4.690 3.859 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.114 -6.082 4.899 1.00 0.00 H new ATOM 1230 N THR A 76 -1.001 -3.420 6.455 1.00 0.00 N ATOM 1231 CA THR A 76 -0.654 -3.454 7.868 1.00 0.00 C ATOM 1232 C THR A 76 -1.785 -2.876 8.734 1.00 0.00 C ATOM 1233 O THR A 76 -2.457 -1.945 8.307 1.00 0.00 O ATOM 1234 CB THR A 76 0.625 -2.627 8.061 1.00 0.00 C ATOM 1235 OG1 THR A 76 1.688 -3.486 8.451 1.00 0.00 O ATOM 1236 CG2 THR A 76 0.431 -1.540 9.127 1.00 0.00 C ATOM 0 H THR A 76 -1.224 -2.493 6.094 1.00 0.00 H new ATOM 0 HA THR A 76 -0.499 -4.487 8.178 1.00 0.00 H new ATOM 0 HB THR A 76 0.862 -2.139 7.115 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.924 -3.311 9.386 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.355 -0.972 9.240 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.372 -0.870 8.821 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.173 -2.005 10.078 1.00 0.00 H new ATOM 1244 N PRO A 77 -1.968 -3.357 9.952 1.00 0.00 N ATOM 1245 CA PRO A 77 -3.002 -2.803 10.877 1.00 0.00 C ATOM 1246 C PRO A 77 -2.509 -1.565 11.622 1.00 0.00 C ATOM 1247 O PRO A 77 -1.307 -1.349 11.768 1.00 0.00 O ATOM 1248 CB PRO A 77 -3.237 -3.942 11.861 1.00 0.00 C ATOM 1249 CG PRO A 77 -1.928 -4.665 11.936 1.00 0.00 C ATOM 1250 CD PRO A 77 -1.237 -4.477 10.577 1.00 0.00 C ATOM 0 HA PRO A 77 -3.896 -2.483 10.342 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.536 -3.564 12.839 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.034 -4.602 11.518 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -1.312 -4.266 12.741 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -2.083 -5.723 12.148 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.179 -4.245 10.697 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.298 -5.381 9.970 1.00 0.00 H new ATOM 1258 N GLY A 78 -3.456 -0.764 12.101 1.00 0.00 N ATOM 1259 CA GLY A 78 -3.118 0.447 12.843 1.00 0.00 C ATOM 1260 C GLY A 78 -2.526 1.504 11.924 1.00 0.00 C ATOM 1261 O GLY A 78 -1.392 1.377 11.461 1.00 0.00 O ATOM 0 H GLY A 78 -4.456 -0.929 11.990 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -4.011 0.841 13.328 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -2.406 0.207 13.633 1.00 0.00 H new ATOM 1265 N VAL A 79 -3.301 2.551 11.664 1.00 0.00 N ATOM 1266 CA VAL A 79 -2.844 3.631 10.797 1.00 0.00 C ATOM 1267 C VAL A 79 -1.513 4.190 11.290 1.00 0.00 C ATOM 1268 O VAL A 79 -1.278 4.291 12.494 1.00 0.00 O ATOM 1269 CB VAL A 79 -3.882 4.752 10.759 1.00 0.00 C ATOM 1270 CG1 VAL A 79 -5.095 4.305 9.941 1.00 0.00 C ATOM 1271 CG2 VAL A 79 -4.329 5.083 12.183 1.00 0.00 C ATOM 0 H VAL A 79 -4.242 2.675 12.038 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.709 3.227 9.794 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.439 5.635 10.299 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.833 5.107 9.916 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.781 4.069 8.924 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.537 3.420 10.399 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.069 5.883 12.155 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.769 4.197 12.642 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.468 5.406 12.769 1.00 0.00 H new ATOM 1281 N PHE A 80 -0.649 4.556 10.351 1.00 0.00 N ATOM 1282 CA PHE A 80 0.655 5.109 10.703 1.00 0.00 C ATOM 1283 C PHE A 80 0.564 6.620 10.903 1.00 0.00 C ATOM 1284 O PHE A 80 -0.168 7.304 10.188 1.00 0.00 O ATOM 1285 CB PHE A 80 1.671 4.799 9.605 1.00 0.00 C ATOM 1286 CG PHE A 80 2.600 3.716 10.092 1.00 0.00 C ATOM 1287 CD1 PHE A 80 2.153 2.392 10.147 1.00 0.00 C ATOM 1288 CD2 PHE A 80 3.905 4.033 10.487 1.00 0.00 C ATOM 1289 CE1 PHE A 80 3.007 1.385 10.604 1.00 0.00 C ATOM 1290 CE2 PHE A 80 4.761 3.025 10.944 1.00 0.00 C ATOM 1291 CZ PHE A 80 4.313 1.699 10.999 1.00 0.00 C ATOM 0 H PHE A 80 -0.824 4.481 9.349 1.00 0.00 H new ATOM 0 HA PHE A 80 0.979 4.650 11.637 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.159 4.477 8.698 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.237 5.695 9.351 1.00 0.00 H new ATOM 0 HD1 PHE A 80 1.148 2.148 9.836 1.00 0.00 H new ATOM 0 HD2 PHE A 80 4.251 5.055 10.439 1.00 0.00 H new ATOM 0 HE1 PHE A 80 2.659 0.364 10.653 1.00 0.00 H new ATOM 0 HE2 PHE A 80 5.766 3.269 11.254 1.00 0.00 H new ATOM 0 HZ PHE A 80 4.975 0.919 11.346 1.00 0.00 H new ATOM 1301 N ILE A 81 1.311 7.135 11.878 1.00 0.00 N ATOM 1302 CA ILE A 81 1.302 8.569 12.156 1.00 0.00 C ATOM 1303 C ILE A 81 2.510 9.239 11.504 1.00 0.00 C ATOM 1304 O ILE A 81 3.642 8.777 11.650 1.00 0.00 O ATOM 1305 CB ILE A 81 1.334 8.815 13.673 1.00 0.00 C ATOM 1306 CG1 ILE A 81 0.321 7.894 14.358 1.00 0.00 C ATOM 1307 CG2 ILE A 81 0.985 10.277 13.996 1.00 0.00 C ATOM 1308 CD1 ILE A 81 1.044 6.674 14.932 1.00 0.00 C ATOM 0 H ILE A 81 1.924 6.587 12.482 1.00 0.00 H new ATOM 0 HA ILE A 81 0.389 8.997 11.743 1.00 0.00 H new ATOM 0 HB ILE A 81 2.340 8.606 14.037 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.195 8.432 15.154 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.439 7.577 13.644 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.014 10.428 15.075 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.708 10.938 13.518 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -0.015 10.503 13.625 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.322 6.019 15.419 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.539 6.132 14.126 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.787 7.000 15.660 1.00 0.00 H new ATOM 1405 N GLY A 88 14.000 9.237 11.837 1.00 0.00 N ATOM 1406 CA GLY A 88 15.418 8.923 11.707 1.00 0.00 C ATOM 1407 C GLY A 88 15.668 7.429 11.861 1.00 0.00 C ATOM 1408 O GLY A 88 16.478 6.850 11.137 1.00 0.00 O ATOM 0 HA2 GLY A 88 15.779 9.256 10.734 1.00 0.00 H new ATOM 0 HA3 GLY A 88 15.985 9.469 12.461 1.00 0.00 H new ATOM 1412 N VAL A 89 14.975 6.807 12.809 1.00 0.00 N ATOM 1413 CA VAL A 89 15.146 5.379 13.038 1.00 0.00 C ATOM 1414 C VAL A 89 14.159 4.576 12.192 1.00 0.00 C ATOM 1415 O VAL A 89 13.050 5.034 11.915 1.00 0.00 O ATOM 1416 CB VAL A 89 14.928 5.063 14.519 1.00 0.00 C ATOM 1417 CG1 VAL A 89 16.042 5.690 15.365 1.00 0.00 C ATOM 1418 CG2 VAL A 89 13.586 5.639 14.960 1.00 0.00 C ATOM 0 H VAL A 89 14.299 7.262 13.423 1.00 0.00 H new ATOM 0 HA VAL A 89 16.160 5.101 12.750 1.00 0.00 H new ATOM 0 HB VAL A 89 14.939 3.982 14.657 1.00 0.00 H new ATOM 0 HG11 VAL A 89 15.875 5.458 16.417 1.00 0.00 H new ATOM 0 HG12 VAL A 89 17.006 5.288 15.053 1.00 0.00 H new ATOM 0 HG13 VAL A 89 16.039 6.771 15.227 1.00 0.00 H new ATOM 0 HG21 VAL A 89 13.424 5.417 16.015 1.00 0.00 H new ATOM 0 HG22 VAL A 89 13.587 6.719 14.812 1.00 0.00 H new ATOM 0 HG23 VAL A 89 12.787 5.193 14.369 1.00 0.00 H new ATOM 1428 N THR A 90 14.574 3.381 11.781 1.00 0.00 N ATOM 1429 CA THR A 90 13.723 2.522 10.963 1.00 0.00 C ATOM 1430 C THR A 90 12.820 1.658 11.841 1.00 0.00 C ATOM 1431 O THR A 90 13.221 1.233 12.925 1.00 0.00 O ATOM 1432 CB THR A 90 14.589 1.621 10.081 1.00 0.00 C ATOM 1433 OG1 THR A 90 15.882 2.195 9.946 1.00 0.00 O ATOM 1434 CG2 THR A 90 13.946 1.480 8.701 1.00 0.00 C ATOM 0 H THR A 90 15.489 2.987 11.999 1.00 0.00 H new ATOM 0 HA THR A 90 13.097 3.157 10.336 1.00 0.00 H new ATOM 0 HB THR A 90 14.673 0.636 10.541 1.00 0.00 H new ATOM 0 HG1 THR A 90 16.439 1.618 9.383 1.00 0.00 H new ATOM 0 HG21 THR A 90 14.565 0.838 8.075 1.00 0.00 H new ATOM 0 HG22 THR A 90 12.955 1.039 8.805 1.00 0.00 H new ATOM 0 HG23 THR A 90 13.859 2.463 8.238 1.00 0.00 H new ATOM 1442 N ASN A 91 11.600 1.403 11.364 1.00 0.00 N ATOM 1443 CA ASN A 91 10.647 0.590 12.114 1.00 0.00 C ATOM 1444 C ASN A 91 10.360 -0.720 11.379 1.00 0.00 C ATOM 1445 O ASN A 91 9.646 -0.738 10.378 1.00 0.00 O ATOM 1446 CB ASN A 91 9.349 1.380 12.311 1.00 0.00 C ATOM 1447 CG ASN A 91 9.410 2.167 13.616 1.00 0.00 C ATOM 1448 OD1 ASN A 91 8.911 1.709 14.644 1.00 0.00 O ATOM 1449 ND2 ASN A 91 9.995 3.334 13.634 1.00 0.00 N ATOM 0 H ASN A 91 11.253 1.746 10.468 1.00 0.00 H new ATOM 0 HA ASN A 91 11.076 0.348 13.086 1.00 0.00 H new ATOM 0 HB2 ASN A 91 9.197 2.061 11.473 1.00 0.00 H new ATOM 0 HB3 ASN A 91 8.498 0.699 12.327 1.00 0.00 H new ATOM 0 HD21 ASN A 91 10.040 3.869 14.501 1.00 0.00 H new ATOM 0 HD22 ASN A 91 10.408 3.711 12.781 1.00 0.00 H new ATOM 1456 N ILE A 92 10.926 -1.813 11.887 1.00 0.00 N ATOM 1457 CA ILE A 92 10.729 -3.128 11.276 1.00 0.00 C ATOM 1458 C ILE A 92 9.544 -3.826 11.911 1.00 0.00 C ATOM 1459 O ILE A 92 9.587 -4.213 13.082 1.00 0.00 O ATOM 1460 CB ILE A 92 11.981 -3.979 11.444 1.00 0.00 C ATOM 1461 CG1 ILE A 92 13.231 -3.090 11.288 1.00 0.00 C ATOM 1462 CG2 ILE A 92 11.964 -5.084 10.384 1.00 0.00 C ATOM 1463 CD1 ILE A 92 13.187 -2.317 9.964 1.00 0.00 C ATOM 0 H ILE A 92 11.521 -1.816 12.715 1.00 0.00 H new ATOM 0 HA ILE A 92 10.533 -2.992 10.212 1.00 0.00 H new ATOM 0 HB ILE A 92 12.006 -4.433 12.435 1.00 0.00 H new ATOM 0 HG12 ILE A 92 13.291 -2.390 12.121 1.00 0.00 H new ATOM 0 HG13 ILE A 92 14.129 -3.707 11.324 1.00 0.00 H new ATOM 0 HG21 ILE A 92 12.855 -5.704 10.490 1.00 0.00 H new ATOM 0 HG22 ILE A 92 11.075 -5.701 10.516 1.00 0.00 H new ATOM 0 HG23 ILE A 92 11.950 -4.635 9.391 1.00 0.00 H new ATOM 0 HD11 ILE A 92 14.079 -1.696 9.875 1.00 0.00 H new ATOM 0 HD12 ILE A 92 13.151 -3.021 9.133 1.00 0.00 H new ATOM 0 HD13 ILE A 92 12.300 -1.683 9.942 1.00 0.00 H new ATOM 1475 N LEU A 93 8.479 -3.968 11.132 1.00 0.00 N ATOM 1476 CA LEU A 93 7.267 -4.610 11.623 1.00 0.00 C ATOM 1477 C LEU A 93 6.653 -5.520 10.577 1.00 0.00 C ATOM 1478 O LEU A 93 6.967 -5.426 9.391 1.00 0.00 O ATOM 1479 CB LEU A 93 6.263 -3.588 12.135 1.00 0.00 C ATOM 1480 CG LEU A 93 5.610 -2.796 11.008 1.00 0.00 C ATOM 1481 CD1 LEU A 93 6.671 -2.271 10.056 1.00 0.00 C ATOM 1482 CD2 LEU A 93 4.581 -3.634 10.230 1.00 0.00 C ATOM 0 H LEU A 93 8.430 -3.650 10.164 1.00 0.00 H new ATOM 0 HA LEU A 93 7.552 -5.237 12.468 1.00 0.00 H new ATOM 0 HB2 LEU A 93 5.491 -4.099 12.711 1.00 0.00 H new ATOM 0 HB3 LEU A 93 6.765 -2.900 12.815 1.00 0.00 H new ATOM 0 HG LEU A 93 5.078 -1.961 11.465 1.00 0.00 H new ATOM 0 HD11 LEU A 93 6.194 -1.707 9.255 1.00 0.00 H new ATOM 0 HD12 LEU A 93 7.357 -1.621 10.599 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.224 -3.108 9.630 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.142 -3.028 9.438 1.00 0.00 H new ATOM 0 HD22 LEU A 93 5.075 -4.502 9.792 1.00 0.00 H new ATOM 0 HD23 LEU A 93 3.796 -3.967 10.908 1.00 0.00 H new ATOM 1494 N LYS A 94 5.791 -6.418 11.030 1.00 0.00 N ATOM 1495 CA LYS A 94 5.136 -7.357 10.129 1.00 0.00 C ATOM 1496 C LYS A 94 3.744 -6.871 9.763 1.00 0.00 C ATOM 1497 O LYS A 94 2.988 -6.418 10.623 1.00 0.00 O ATOM 1498 CB LYS A 94 5.035 -8.730 10.787 1.00 0.00 C ATOM 1499 CG LYS A 94 6.398 -9.427 10.742 1.00 0.00 C ATOM 1500 CD LYS A 94 6.712 -10.032 12.106 1.00 0.00 C ATOM 1501 CE LYS A 94 8.108 -10.648 12.075 1.00 0.00 C ATOM 1502 NZ LYS A 94 8.118 -11.886 12.898 1.00 0.00 N ATOM 0 H LYS A 94 5.529 -6.517 12.011 1.00 0.00 H new ATOM 0 HA LYS A 94 5.734 -7.430 9.221 1.00 0.00 H new ATOM 0 HB2 LYS A 94 4.704 -8.625 11.820 1.00 0.00 H new ATOM 0 HB3 LYS A 94 4.289 -9.336 10.273 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.393 -10.207 9.980 1.00 0.00 H new ATOM 0 HG3 LYS A 94 7.173 -8.713 10.463 1.00 0.00 H new ATOM 0 HD2 LYS A 94 6.658 -9.265 12.878 1.00 0.00 H new ATOM 0 HD3 LYS A 94 5.972 -10.792 12.359 1.00 0.00 H new ATOM 0 HE2 LYS A 94 8.394 -10.878 11.049 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.840 -9.937 12.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 9.068 -12.308 12.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 7.863 -11.653 13.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 7.430 -12.564 12.513 1.00 0.00 H new ATOM 1516 N THR A 95 3.418 -6.973 8.481 1.00 0.00 N ATOM 1517 CA THR A 95 2.112 -6.539 7.997 1.00 0.00 C ATOM 1518 C THR A 95 1.166 -7.731 7.877 1.00 0.00 C ATOM 1519 O THR A 95 1.591 -8.880 7.987 1.00 0.00 O ATOM 1520 CB THR A 95 2.258 -5.859 6.631 1.00 0.00 C ATOM 1521 OG1 THR A 95 2.188 -6.842 5.610 1.00 0.00 O ATOM 1522 CG2 THR A 95 3.603 -5.135 6.552 1.00 0.00 C ATOM 0 H THR A 95 4.035 -7.350 7.761 1.00 0.00 H new ATOM 0 HA THR A 95 1.697 -5.828 8.711 1.00 0.00 H new ATOM 0 HB THR A 95 1.455 -5.134 6.500 1.00 0.00 H new ATOM 0 HG1 THR A 95 2.843 -6.635 4.911 1.00 0.00 H new ATOM 0 HG21 THR A 95 3.701 -4.654 5.579 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.657 -4.381 7.337 1.00 0.00 H new ATOM 0 HG23 THR A 95 4.412 -5.854 6.684 1.00 0.00 H new ATOM 1530 N THR A 96 -0.118 -7.449 7.653 1.00 0.00 N ATOM 1531 CA THR A 96 -1.105 -8.514 7.523 1.00 0.00 C ATOM 1532 C THR A 96 -0.615 -9.564 6.522 1.00 0.00 C ATOM 1533 O THR A 96 -0.867 -10.758 6.690 1.00 0.00 O ATOM 1534 CB THR A 96 -2.478 -7.938 7.099 1.00 0.00 C ATOM 1535 OG1 THR A 96 -3.488 -8.489 7.931 1.00 0.00 O ATOM 1536 CG2 THR A 96 -2.790 -8.290 5.648 1.00 0.00 C ATOM 0 H THR A 96 -0.492 -6.505 7.559 1.00 0.00 H new ATOM 0 HA THR A 96 -1.232 -8.996 8.492 1.00 0.00 H new ATOM 0 HB THR A 96 -2.446 -6.853 7.199 1.00 0.00 H new ATOM 0 HG1 THR A 96 -4.335 -8.024 7.768 1.00 0.00 H new ATOM 0 HG21 THR A 96 -3.760 -7.875 5.373 1.00 0.00 H new ATOM 0 HG22 THR A 96 -2.020 -7.874 4.999 1.00 0.00 H new ATOM 0 HG23 THR A 96 -2.814 -9.374 5.534 1.00 0.00 H new ATOM 1544 N GLN A 97 0.084 -9.111 5.483 1.00 0.00 N ATOM 1545 CA GLN A 97 0.603 -10.012 4.462 1.00 0.00 C ATOM 1546 C GLN A 97 1.499 -11.085 5.082 1.00 0.00 C ATOM 1547 O GLN A 97 1.584 -12.204 4.572 1.00 0.00 O ATOM 1548 CB GLN A 97 1.402 -9.212 3.432 1.00 0.00 C ATOM 1549 CG GLN A 97 2.005 -10.164 2.397 1.00 0.00 C ATOM 1550 CD GLN A 97 2.592 -9.371 1.237 1.00 0.00 C ATOM 1551 OE1 GLN A 97 2.008 -8.377 0.804 1.00 0.00 O ATOM 1552 NE2 GLN A 97 3.721 -9.754 0.708 1.00 0.00 N ATOM 0 H GLN A 97 0.302 -8.127 5.328 1.00 0.00 H new ATOM 0 HA GLN A 97 -0.240 -10.505 3.977 1.00 0.00 H new ATOM 0 HB2 GLN A 97 0.755 -8.486 2.940 1.00 0.00 H new ATOM 0 HB3 GLN A 97 2.193 -8.650 3.928 1.00 0.00 H new ATOM 0 HG2 GLN A 97 2.781 -10.774 2.860 1.00 0.00 H new ATOM 0 HG3 GLN A 97 1.239 -10.847 2.030 1.00 0.00 H new ATOM 0 HE21 GLN A 97 4.201 -10.578 1.071 1.00 0.00 H new ATOM 0 HE22 GLN A 97 4.124 -9.229 -0.068 1.00 0.00 H new ATOM 1561 N GLY A 98 2.165 -10.735 6.176 1.00 0.00 N ATOM 1562 CA GLY A 98 3.055 -11.670 6.856 1.00 0.00 C ATOM 1563 C GLY A 98 4.506 -11.211 6.748 1.00 0.00 C ATOM 1564 O GLY A 98 5.296 -11.400 7.673 1.00 0.00 O ATOM 0 H GLY A 98 2.107 -9.814 6.610 1.00 0.00 H new ATOM 0 HA2 GLY A 98 2.772 -11.751 7.905 1.00 0.00 H new ATOM 0 HA3 GLY A 98 2.949 -12.663 6.419 1.00 0.00 H new ATOM 1568 N SER A 99 4.848 -10.606 5.615 1.00 0.00 N ATOM 1569 CA SER A 99 6.208 -10.122 5.398 1.00 0.00 C ATOM 1570 C SER A 99 6.508 -8.926 6.302 1.00 0.00 C ATOM 1571 O SER A 99 5.618 -8.411 6.983 1.00 0.00 O ATOM 1572 CB SER A 99 6.393 -9.717 3.937 1.00 0.00 C ATOM 1573 OG SER A 99 5.140 -9.312 3.399 1.00 0.00 O ATOM 0 H SER A 99 4.208 -10.440 4.838 1.00 0.00 H new ATOM 0 HA SER A 99 6.900 -10.928 5.642 1.00 0.00 H new ATOM 0 HB2 SER A 99 7.114 -8.903 3.862 1.00 0.00 H new ATOM 0 HB3 SER A 99 6.795 -10.553 3.364 1.00 0.00 H new ATOM 0 HG SER A 99 5.289 -8.763 2.601 1.00 0.00 H new ATOM 1579 N LYS A 100 7.770 -8.490 6.296 1.00 0.00 N ATOM 1580 CA LYS A 100 8.183 -7.355 7.117 1.00 0.00 C ATOM 1581 C LYS A 100 8.496 -6.146 6.254 1.00 0.00 C ATOM 1582 O LYS A 100 8.997 -6.275 5.138 1.00 0.00 O ATOM 1583 CB LYS A 100 9.418 -7.710 7.946 1.00 0.00 C ATOM 1584 CG LYS A 100 10.387 -8.520 7.080 1.00 0.00 C ATOM 1585 CD LYS A 100 11.692 -8.756 7.840 1.00 0.00 C ATOM 1586 CE LYS A 100 12.773 -9.226 6.861 1.00 0.00 C ATOM 1587 NZ LYS A 100 12.362 -10.520 6.245 1.00 0.00 N ATOM 0 H LYS A 100 8.516 -8.903 5.736 1.00 0.00 H new ATOM 0 HA LYS A 100 7.355 -7.114 7.784 1.00 0.00 H new ATOM 0 HB2 LYS A 100 9.903 -6.803 8.305 1.00 0.00 H new ATOM 0 HB3 LYS A 100 9.128 -8.286 8.825 1.00 0.00 H new ATOM 0 HG2 LYS A 100 9.936 -9.475 6.810 1.00 0.00 H new ATOM 0 HG3 LYS A 100 10.589 -7.988 6.150 1.00 0.00 H new ATOM 0 HD2 LYS A 100 12.008 -7.838 8.335 1.00 0.00 H new ATOM 0 HD3 LYS A 100 11.542 -9.503 8.619 1.00 0.00 H new ATOM 0 HE2 LYS A 100 12.927 -8.475 6.086 1.00 0.00 H new ATOM 0 HE3 LYS A 100 13.723 -9.345 7.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 13.171 -10.938 5.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 12.041 -11.172 6.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 11.586 -10.353 5.573 1.00 0.00 H new ATOM 1601 N ILE A 101 8.195 -4.970 6.790 1.00 0.00 N ATOM 1602 CA ILE A 101 8.448 -3.729 6.082 1.00 0.00 C ATOM 1603 C ILE A 101 9.146 -2.729 7.004 1.00 0.00 C ATOM 1604 O ILE A 101 8.907 -2.701 8.220 1.00 0.00 O ATOM 1605 CB ILE A 101 7.132 -3.159 5.550 1.00 0.00 C ATOM 1606 CG1 ILE A 101 7.413 -1.894 4.730 1.00 0.00 C ATOM 1607 CG2 ILE A 101 6.212 -2.825 6.719 1.00 0.00 C ATOM 1608 CD1 ILE A 101 6.120 -1.403 4.064 1.00 0.00 C ATOM 0 H ILE A 101 7.776 -4.853 7.712 1.00 0.00 H new ATOM 0 HA ILE A 101 9.106 -3.924 5.236 1.00 0.00 H new ATOM 0 HB ILE A 101 6.648 -3.898 4.912 1.00 0.00 H new ATOM 0 HG12 ILE A 101 7.818 -1.115 5.375 1.00 0.00 H new ATOM 0 HG13 ILE A 101 8.167 -2.103 3.971 1.00 0.00 H new ATOM 0 HG21 ILE A 101 5.274 -2.419 6.340 1.00 0.00 H new ATOM 0 HG22 ILE A 101 6.010 -3.729 7.293 1.00 0.00 H new ATOM 0 HG23 ILE A 101 6.693 -2.088 7.362 1.00 0.00 H new ATOM 0 HD11 ILE A 101 6.328 -0.504 3.484 1.00 0.00 H new ATOM 0 HD12 ILE A 101 5.733 -2.180 3.404 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.379 -1.176 4.831 1.00 0.00 H new ATOM 1620 N PHE A 102 10.043 -1.941 6.416 1.00 0.00 N ATOM 1621 CA PHE A 102 10.809 -0.955 7.166 1.00 0.00 C ATOM 1622 C PHE A 102 10.235 0.443 6.977 1.00 0.00 C ATOM 1623 O PHE A 102 10.187 0.955 5.857 1.00 0.00 O ATOM 1624 CB PHE A 102 12.275 -0.976 6.717 1.00 0.00 C ATOM 1625 CG PHE A 102 12.587 -2.291 6.035 1.00 0.00 C ATOM 1626 CD1 PHE A 102 13.337 -2.305 4.854 1.00 0.00 C ATOM 1627 CD2 PHE A 102 12.130 -3.497 6.585 1.00 0.00 C ATOM 1628 CE1 PHE A 102 13.629 -3.521 4.224 1.00 0.00 C ATOM 1629 CE2 PHE A 102 12.419 -4.708 5.958 1.00 0.00 C ATOM 1630 CZ PHE A 102 13.170 -4.724 4.776 1.00 0.00 C ATOM 0 H PHE A 102 10.256 -1.968 5.419 1.00 0.00 H new ATOM 0 HA PHE A 102 10.749 -1.213 8.223 1.00 0.00 H new ATOM 0 HB2 PHE A 102 12.467 -0.148 6.035 1.00 0.00 H new ATOM 0 HB3 PHE A 102 12.930 -0.838 7.577 1.00 0.00 H new ATOM 0 HD1 PHE A 102 13.691 -1.378 4.428 1.00 0.00 H new ATOM 0 HD2 PHE A 102 11.552 -3.488 7.497 1.00 0.00 H new ATOM 0 HE1 PHE A 102 14.208 -3.531 3.312 1.00 0.00 H new ATOM 0 HE2 PHE A 102 12.064 -5.635 6.384 1.00 0.00 H new ATOM 0 HZ PHE A 102 13.395 -5.662 4.291 1.00 0.00 H new ATOM 1640 N LEU A 103 9.809 1.063 8.074 1.00 0.00 N ATOM 1641 CA LEU A 103 9.250 2.409 8.011 1.00 0.00 C ATOM 1642 C LEU A 103 10.205 3.411 8.635 1.00 0.00 C ATOM 1643 O LEU A 103 10.885 3.111 9.612 1.00 0.00 O ATOM 1644 CB LEU A 103 7.911 2.463 8.750 1.00 0.00 C ATOM 1645 CG LEU A 103 6.755 2.055 7.828 1.00 0.00 C ATOM 1646 CD1 LEU A 103 6.410 3.188 6.852 1.00 0.00 C ATOM 1647 CD2 LEU A 103 7.133 0.788 7.053 1.00 0.00 C ATOM 0 H LEU A 103 9.840 0.659 9.010 1.00 0.00 H new ATOM 0 HA LEU A 103 9.096 2.664 6.962 1.00 0.00 H new ATOM 0 HB2 LEU A 103 7.942 1.800 9.615 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.741 3.471 9.128 1.00 0.00 H new ATOM 0 HG LEU A 103 5.876 1.854 8.441 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.588 2.876 6.208 1.00 0.00 H new ATOM 0 HD12 LEU A 103 6.115 4.075 7.413 1.00 0.00 H new ATOM 0 HD13 LEU A 103 7.282 3.419 6.240 1.00 0.00 H new ATOM 0 HD21 LEU A 103 6.309 0.502 6.399 1.00 0.00 H new ATOM 0 HD22 LEU A 103 8.022 0.980 6.453 1.00 0.00 H new ATOM 0 HD23 LEU A 103 7.337 -0.021 7.755 1.00 0.00 H new ATOM 1659 N LYS A 104 10.249 4.600 8.053 1.00 0.00 N ATOM 1660 CA LYS A 104 11.123 5.647 8.543 1.00 0.00 C ATOM 1661 C LYS A 104 10.621 7.008 8.081 1.00 0.00 C ATOM 1662 O LYS A 104 10.214 7.172 6.932 1.00 0.00 O ATOM 1663 CB LYS A 104 12.541 5.414 8.020 1.00 0.00 C ATOM 1664 CG LYS A 104 13.410 6.631 8.332 1.00 0.00 C ATOM 1665 CD LYS A 104 14.861 6.190 8.542 1.00 0.00 C ATOM 1666 CE LYS A 104 15.392 5.523 7.269 1.00 0.00 C ATOM 1667 NZ LYS A 104 16.787 5.984 7.014 1.00 0.00 N ATOM 0 H LYS A 104 9.689 4.861 7.241 1.00 0.00 H new ATOM 0 HA LYS A 104 11.129 5.626 9.633 1.00 0.00 H new ATOM 0 HB2 LYS A 104 12.967 4.523 8.481 1.00 0.00 H new ATOM 0 HB3 LYS A 104 12.518 5.237 6.945 1.00 0.00 H new ATOM 0 HG2 LYS A 104 13.353 7.350 7.514 1.00 0.00 H new ATOM 0 HG3 LYS A 104 13.040 7.134 9.225 1.00 0.00 H new ATOM 0 HD2 LYS A 104 15.479 7.051 8.797 1.00 0.00 H new ATOM 0 HD3 LYS A 104 14.922 5.495 9.380 1.00 0.00 H new ATOM 0 HE2 LYS A 104 15.369 4.439 7.377 1.00 0.00 H new ATOM 0 HE3 LYS A 104 14.754 5.772 6.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 17.149 5.532 6.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 16.795 7.017 6.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 17.391 5.725 7.820 1.00 0.00 H new ATOM 1681 N GLU A 105 10.656 7.976 8.986 1.00 0.00 N ATOM 1682 CA GLU A 105 10.212 9.327 8.672 1.00 0.00 C ATOM 1683 C GLU A 105 11.340 10.317 8.938 1.00 0.00 C ATOM 1684 O GLU A 105 11.990 10.269 9.981 1.00 0.00 O ATOM 1685 CB GLU A 105 8.990 9.697 9.519 1.00 0.00 C ATOM 1686 CG GLU A 105 7.736 9.016 8.956 1.00 0.00 C ATOM 1687 CD GLU A 105 6.982 8.308 10.078 1.00 0.00 C ATOM 1688 OE1 GLU A 105 6.535 8.988 10.987 1.00 0.00 O ATOM 1689 OE2 GLU A 105 6.863 7.096 10.011 1.00 0.00 O ATOM 0 H GLU A 105 10.987 7.851 9.943 1.00 0.00 H new ATOM 0 HA GLU A 105 9.936 9.368 7.618 1.00 0.00 H new ATOM 0 HB2 GLU A 105 9.147 9.390 10.553 1.00 0.00 H new ATOM 0 HB3 GLU A 105 8.855 10.779 9.525 1.00 0.00 H new ATOM 0 HG2 GLU A 105 7.091 9.756 8.483 1.00 0.00 H new ATOM 0 HG3 GLU A 105 8.016 8.298 8.185 1.00 0.00 H new ATOM 1696 N VAL A 106 11.572 11.208 7.981 1.00 0.00 N ATOM 1697 CA VAL A 106 12.631 12.204 8.114 1.00 0.00 C ATOM 1698 C VAL A 106 12.192 13.537 7.517 1.00 0.00 C ATOM 1699 O VAL A 106 11.561 13.574 6.462 1.00 0.00 O ATOM 1700 CB VAL A 106 13.893 11.722 7.398 1.00 0.00 C ATOM 1701 CG1 VAL A 106 14.950 12.824 7.429 1.00 0.00 C ATOM 1702 CG2 VAL A 106 14.432 10.472 8.100 1.00 0.00 C ATOM 0 H VAL A 106 11.045 11.262 7.109 1.00 0.00 H new ATOM 0 HA VAL A 106 12.841 12.342 9.175 1.00 0.00 H new ATOM 0 HB VAL A 106 13.654 11.481 6.362 1.00 0.00 H new ATOM 0 HG11 VAL A 106 15.849 12.480 6.918 1.00 0.00 H new ATOM 0 HG12 VAL A 106 14.565 13.712 6.927 1.00 0.00 H new ATOM 0 HG13 VAL A 106 15.191 13.068 8.464 1.00 0.00 H new ATOM 0 HG21 VAL A 106 15.332 10.128 7.590 1.00 0.00 H new ATOM 0 HG22 VAL A 106 14.671 10.711 9.136 1.00 0.00 H new ATOM 0 HG23 VAL A 106 13.677 9.686 8.074 1.00 0.00 H new ATOM 1712 N ASN A 107 12.533 14.626 8.197 1.00 0.00 N ATOM 1713 CA ASN A 107 12.171 15.957 7.722 1.00 0.00 C ATOM 1714 C ASN A 107 10.711 15.991 7.279 1.00 0.00 C ATOM 1715 O ASN A 107 10.358 16.668 6.314 1.00 0.00 O ATOM 1716 CB ASN A 107 13.077 16.358 6.552 1.00 0.00 C ATOM 1717 CG ASN A 107 14.441 16.796 7.075 1.00 0.00 C ATOM 1718 OD1 ASN A 107 14.526 17.683 7.923 1.00 0.00 O ATOM 1719 ND2 ASN A 107 15.520 16.224 6.615 1.00 0.00 N ATOM 0 H ASN A 107 13.056 14.615 9.073 1.00 0.00 H new ATOM 0 HA ASN A 107 12.303 16.664 8.541 1.00 0.00 H new ATOM 0 HB2 ASN A 107 13.194 15.518 5.867 1.00 0.00 H new ATOM 0 HB3 ASN A 107 12.618 17.169 5.987 1.00 0.00 H new ATOM 0 HD21 ASN A 107 16.436 16.512 6.959 1.00 0.00 H new ATOM 0 HD22 ASN A 107 15.447 15.489 5.912 1.00 0.00 H new ATOM 1726 N ASP A 108 9.865 15.255 7.991 1.00 0.00 N ATOM 1727 CA ASP A 108 8.446 15.210 7.659 1.00 0.00 C ATOM 1728 C ASP A 108 8.232 14.483 6.332 1.00 0.00 C ATOM 1729 O ASP A 108 7.292 14.782 5.594 1.00 0.00 O ATOM 1730 CB ASP A 108 7.885 16.631 7.565 1.00 0.00 C ATOM 1731 CG ASP A 108 8.620 17.550 8.538 1.00 0.00 C ATOM 1732 OD1 ASP A 108 8.415 17.403 9.731 1.00 0.00 O ATOM 1733 OD2 ASP A 108 9.375 18.389 8.073 1.00 0.00 O ATOM 0 H ASP A 108 10.133 14.686 8.794 1.00 0.00 H new ATOM 0 HA ASP A 108 7.923 14.668 8.446 1.00 0.00 H new ATOM 0 HB2 ASP A 108 7.992 17.006 6.547 1.00 0.00 H new ATOM 0 HB3 ASP A 108 6.819 16.625 7.792 1.00 0.00 H new ATOM 1738 N THR A 109 9.108 13.522 6.043 1.00 0.00 N ATOM 1739 CA THR A 109 9.010 12.746 4.806 1.00 0.00 C ATOM 1740 C THR A 109 8.822 11.276 5.121 1.00 0.00 C ATOM 1741 O THR A 109 9.707 10.640 5.692 1.00 0.00 O ATOM 1742 CB THR A 109 10.272 12.915 3.957 1.00 0.00 C ATOM 1743 OG1 THR A 109 10.533 14.301 3.767 1.00 0.00 O ATOM 1744 CG2 THR A 109 10.063 12.243 2.607 1.00 0.00 C ATOM 0 H THR A 109 9.890 13.262 6.644 1.00 0.00 H new ATOM 0 HA THR A 109 8.150 13.115 4.248 1.00 0.00 H new ATOM 0 HB THR A 109 11.120 12.455 4.464 1.00 0.00 H new ATOM 0 HG1 THR A 109 10.978 14.662 4.562 1.00 0.00 H new ATOM 0 HG21 THR A 109 10.960 12.361 1.999 1.00 0.00 H new ATOM 0 HG22 THR A 109 9.863 11.182 2.756 1.00 0.00 H new ATOM 0 HG23 THR A 109 9.216 12.704 2.098 1.00 0.00 H new ATOM 1752 N LEU A 110 7.674 10.735 4.737 1.00 0.00 N ATOM 1753 CA LEU A 110 7.402 9.328 4.981 1.00 0.00 C ATOM 1754 C LEU A 110 8.313 8.483 4.109 1.00 0.00 C ATOM 1755 O LEU A 110 8.079 8.336 2.909 1.00 0.00 O ATOM 1756 CB LEU A 110 5.939 9.003 4.666 1.00 0.00 C ATOM 1757 CG LEU A 110 5.467 7.804 5.500 1.00 0.00 C ATOM 1758 CD1 LEU A 110 4.090 7.370 5.003 1.00 0.00 C ATOM 1759 CD2 LEU A 110 6.430 6.622 5.349 1.00 0.00 C ATOM 0 H LEU A 110 6.927 11.241 4.262 1.00 0.00 H new ATOM 0 HA LEU A 110 7.588 9.107 6.032 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.313 9.870 4.877 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.829 8.782 3.604 1.00 0.00 H new ATOM 0 HG LEU A 110 5.430 8.101 6.548 1.00 0.00 H new ATOM 0 HD11 LEU A 110 3.744 6.518 5.588 1.00 0.00 H new ATOM 0 HD12 LEU A 110 3.387 8.196 5.113 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.155 7.086 3.953 1.00 0.00 H new ATOM 0 HD21 LEU A 110 6.075 5.784 5.949 1.00 0.00 H new ATOM 0 HD22 LEU A 110 6.478 6.324 4.302 1.00 0.00 H new ATOM 0 HD23 LEU A 110 7.423 6.916 5.689 1.00 0.00 H new ATOM 1771 N LEU A 111 9.353 7.939 4.724 1.00 0.00 N ATOM 1772 CA LEU A 111 10.302 7.112 4.005 1.00 0.00 C ATOM 1773 C LEU A 111 10.115 5.659 4.371 1.00 0.00 C ATOM 1774 O LEU A 111 10.301 5.271 5.523 1.00 0.00 O ATOM 1775 CB LEU A 111 11.732 7.543 4.323 1.00 0.00 C ATOM 1776 CG LEU A 111 12.069 8.749 3.436 1.00 0.00 C ATOM 1777 CD1 LEU A 111 12.811 9.841 4.204 1.00 0.00 C ATOM 1778 CD2 LEU A 111 12.923 8.287 2.269 1.00 0.00 C ATOM 0 H LEU A 111 9.558 8.057 5.716 1.00 0.00 H new ATOM 0 HA LEU A 111 10.124 7.236 2.937 1.00 0.00 H new ATOM 0 HB2 LEU A 111 11.826 7.806 5.377 1.00 0.00 H new ATOM 0 HB3 LEU A 111 12.428 6.725 4.136 1.00 0.00 H new ATOM 0 HG LEU A 111 11.130 9.174 3.082 1.00 0.00 H new ATOM 0 HD11 LEU A 111 13.028 10.673 3.535 1.00 0.00 H new ATOM 0 HD12 LEU A 111 12.191 10.191 5.029 1.00 0.00 H new ATOM 0 HD13 LEU A 111 13.745 9.439 4.597 1.00 0.00 H new ATOM 0 HD21 LEU A 111 13.165 9.140 1.635 1.00 0.00 H new ATOM 0 HD22 LEU A 111 13.844 7.842 2.646 1.00 0.00 H new ATOM 0 HD23 LEU A 111 12.374 7.547 1.687 1.00 0.00 H new ATOM 1790 N VAL A 112 9.757 4.860 3.380 1.00 0.00 N ATOM 1791 CA VAL A 112 9.552 3.432 3.610 1.00 0.00 C ATOM 1792 C VAL A 112 10.597 2.628 2.848 1.00 0.00 C ATOM 1793 O VAL A 112 10.532 2.504 1.625 1.00 0.00 O ATOM 1794 CB VAL A 112 8.136 3.015 3.191 1.00 0.00 C ATOM 1795 CG1 VAL A 112 7.722 3.764 1.922 1.00 0.00 C ATOM 1796 CG2 VAL A 112 8.093 1.495 2.955 1.00 0.00 C ATOM 0 H VAL A 112 9.603 5.166 2.419 1.00 0.00 H new ATOM 0 HA VAL A 112 9.662 3.229 4.675 1.00 0.00 H new ATOM 0 HB VAL A 112 7.436 3.269 3.987 1.00 0.00 H new ATOM 0 HG11 VAL A 112 6.716 3.461 1.633 1.00 0.00 H new ATOM 0 HG12 VAL A 112 7.738 4.837 2.112 1.00 0.00 H new ATOM 0 HG13 VAL A 112 8.418 3.528 1.117 1.00 0.00 H new ATOM 0 HG21 VAL A 112 7.086 1.201 2.658 1.00 0.00 H new ATOM 0 HG22 VAL A 112 8.797 1.229 2.166 1.00 0.00 H new ATOM 0 HG23 VAL A 112 8.366 0.976 3.874 1.00 0.00 H new ATOM 1806 N ASN A 113 11.566 2.092 3.583 1.00 0.00 N ATOM 1807 CA ASN A 113 12.631 1.310 2.971 1.00 0.00 C ATOM 1808 C ASN A 113 13.565 2.224 2.192 1.00 0.00 C ATOM 1809 O ASN A 113 14.182 1.816 1.208 1.00 0.00 O ATOM 1810 CB ASN A 113 12.035 0.267 2.033 1.00 0.00 C ATOM 1811 CG ASN A 113 12.950 -0.951 1.963 1.00 0.00 C ATOM 1812 OD1 ASN A 113 12.439 -2.147 2.067 1.00 0.00 O flip ATOM 1813 ND2 ASN A 113 14.164 -0.809 1.812 1.00 0.00 N flip ATOM 0 H ASN A 113 11.635 2.185 4.596 1.00 0.00 H new ATOM 0 HA ASN A 113 13.195 0.807 3.756 1.00 0.00 H new ATOM 0 HB2 ASN A 113 11.047 -0.029 2.385 1.00 0.00 H new ATOM 0 HB3 ASN A 113 11.904 0.692 1.038 1.00 0.00 H new ATOM 0 HD21 ASN A 113 14.562 0.127 1.731 1.00 0.00 H new ATOM 0 HD22 ASN A 113 14.772 -1.627 1.768 1.00 0.00 H new ATOM 1820 N GLU A 114 13.657 3.466 2.645 1.00 0.00 N ATOM 1821 CA GLU A 114 14.513 4.448 1.994 1.00 0.00 C ATOM 1822 C GLU A 114 13.849 5.005 0.737 1.00 0.00 C ATOM 1823 O GLU A 114 14.485 5.711 -0.046 1.00 0.00 O ATOM 1824 CB GLU A 114 15.857 3.813 1.625 1.00 0.00 C ATOM 1825 CG GLU A 114 16.963 4.869 1.722 1.00 0.00 C ATOM 1826 CD GLU A 114 18.173 4.443 0.897 1.00 0.00 C ATOM 1827 OE1 GLU A 114 18.202 3.302 0.465 1.00 0.00 O ATOM 1828 OE2 GLU A 114 19.055 5.265 0.709 1.00 0.00 O ATOM 0 H GLU A 114 13.151 3.817 3.458 1.00 0.00 H new ATOM 0 HA GLU A 114 14.677 5.268 2.693 1.00 0.00 H new ATOM 0 HB2 GLU A 114 16.074 2.981 2.294 1.00 0.00 H new ATOM 0 HB3 GLU A 114 15.814 3.407 0.614 1.00 0.00 H new ATOM 0 HG2 GLU A 114 16.591 5.829 1.366 1.00 0.00 H new ATOM 0 HG3 GLU A 114 17.254 5.006 2.763 1.00 0.00 H new ATOM 1835 N LEU A 115 12.576 4.675 0.532 1.00 0.00 N ATOM 1836 CA LEU A 115 11.869 5.137 -0.628 1.00 0.00 C ATOM 1837 C LEU A 115 11.024 6.348 -0.295 1.00 0.00 C ATOM 1838 O LEU A 115 10.169 6.305 0.592 1.00 0.00 O ATOM 1839 CB LEU A 115 10.980 4.008 -1.102 1.00 0.00 C ATOM 1840 CG LEU A 115 10.602 4.155 -2.573 1.00 0.00 C ATOM 1841 CD1 LEU A 115 9.800 5.445 -2.807 1.00 0.00 C ATOM 1842 CD2 LEU A 115 11.850 4.142 -3.474 1.00 0.00 C ATOM 0 H LEU A 115 12.026 4.090 1.161 1.00 0.00 H new ATOM 0 HA LEU A 115 12.577 5.428 -1.404 1.00 0.00 H new ATOM 0 HB2 LEU A 115 11.491 3.057 -0.953 1.00 0.00 H new ATOM 0 HB3 LEU A 115 10.074 3.981 -0.496 1.00 0.00 H new ATOM 0 HG LEU A 115 9.978 3.301 -2.836 1.00 0.00 H new ATOM 0 HD11 LEU A 115 9.543 5.527 -3.863 1.00 0.00 H new ATOM 0 HD12 LEU A 115 8.887 5.419 -2.212 1.00 0.00 H new ATOM 0 HD13 LEU A 115 10.401 6.305 -2.512 1.00 0.00 H new ATOM 0 HD21 LEU A 115 11.548 4.248 -4.516 1.00 0.00 H new ATOM 0 HD22 LEU A 115 12.505 4.969 -3.200 1.00 0.00 H new ATOM 0 HD23 LEU A 115 12.382 3.199 -3.345 1.00 0.00 H new ATOM 1854 N LYS A 116 11.266 7.421 -1.021 1.00 0.00 N ATOM 1855 CA LYS A 116 10.530 8.641 -0.824 1.00 0.00 C ATOM 1856 C LYS A 116 9.081 8.448 -1.245 1.00 0.00 C ATOM 1857 O LYS A 116 8.776 8.356 -2.432 1.00 0.00 O ATOM 1858 CB LYS A 116 11.149 9.732 -1.686 1.00 0.00 C ATOM 1859 CG LYS A 116 12.528 10.120 -1.149 1.00 0.00 C ATOM 1860 CD LYS A 116 12.387 11.188 -0.065 1.00 0.00 C ATOM 1861 CE LYS A 116 13.752 11.460 0.574 1.00 0.00 C ATOM 1862 NZ LYS A 116 14.002 12.927 0.596 1.00 0.00 N ATOM 0 H LYS A 116 11.972 7.467 -1.756 1.00 0.00 H new ATOM 0 HA LYS A 116 10.567 8.919 0.229 1.00 0.00 H new ATOM 0 HB2 LYS A 116 11.237 9.384 -2.715 1.00 0.00 H new ATOM 0 HB3 LYS A 116 10.498 10.606 -1.700 1.00 0.00 H new ATOM 0 HG2 LYS A 116 13.029 9.242 -0.742 1.00 0.00 H new ATOM 0 HG3 LYS A 116 13.151 10.495 -1.961 1.00 0.00 H new ATOM 0 HD2 LYS A 116 11.987 12.106 -0.496 1.00 0.00 H new ATOM 0 HD3 LYS A 116 11.679 10.857 0.695 1.00 0.00 H new ATOM 0 HE2 LYS A 116 13.778 11.060 1.588 1.00 0.00 H new ATOM 0 HE3 LYS A 116 14.537 10.954 0.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 14.928 13.115 1.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 13.994 13.295 -0.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 13.259 13.398 1.151 1.00 0.00 H new ATOM 1876 N SER A 117 8.193 8.392 -0.270 1.00 0.00 N ATOM 1877 CA SER A 117 6.772 8.210 -0.555 1.00 0.00 C ATOM 1878 C SER A 117 6.237 9.360 -1.405 1.00 0.00 C ATOM 1879 O SER A 117 6.775 10.468 -1.376 1.00 0.00 O ATOM 1880 CB SER A 117 5.990 8.140 0.755 1.00 0.00 C ATOM 1881 OG SER A 117 6.507 7.083 1.553 1.00 0.00 O ATOM 0 H SER A 117 8.423 8.469 0.721 1.00 0.00 H new ATOM 0 HA SER A 117 6.649 7.280 -1.110 1.00 0.00 H new ATOM 0 HB2 SER A 117 6.068 9.087 1.290 1.00 0.00 H new ATOM 0 HB3 SER A 117 4.932 7.974 0.552 1.00 0.00 H new ATOM 0 HG SER A 117 7.378 7.345 1.918 1.00 0.00 H new ATOM 1887 N LYS A 118 5.175 9.091 -2.163 1.00 0.00 N ATOM 1888 CA LYS A 118 4.577 10.113 -3.018 1.00 0.00 C ATOM 1889 C LYS A 118 3.521 10.903 -2.251 1.00 0.00 C ATOM 1890 O LYS A 118 3.521 12.134 -2.266 1.00 0.00 O ATOM 1891 CB LYS A 118 3.938 9.453 -4.241 1.00 0.00 C ATOM 1892 CG LYS A 118 4.893 9.557 -5.436 1.00 0.00 C ATOM 1893 CD LYS A 118 4.892 10.989 -5.989 1.00 0.00 C ATOM 1894 CE LYS A 118 6.330 11.503 -6.108 1.00 0.00 C ATOM 1895 NZ LYS A 118 6.345 12.739 -6.944 1.00 0.00 N ATOM 0 H LYS A 118 4.715 8.182 -2.202 1.00 0.00 H new ATOM 0 HA LYS A 118 5.360 10.799 -3.341 1.00 0.00 H new ATOM 0 HB2 LYS A 118 3.717 8.407 -4.029 1.00 0.00 H new ATOM 0 HB3 LYS A 118 2.991 9.938 -4.476 1.00 0.00 H new ATOM 0 HG2 LYS A 118 5.901 9.277 -5.131 1.00 0.00 H new ATOM 0 HG3 LYS A 118 4.590 8.858 -6.215 1.00 0.00 H new ATOM 0 HD2 LYS A 118 4.407 11.011 -6.965 1.00 0.00 H new ATOM 0 HD3 LYS A 118 4.317 11.641 -5.332 1.00 0.00 H new ATOM 0 HE2 LYS A 118 6.736 11.715 -5.119 1.00 0.00 H new ATOM 0 HE3 LYS A 118 6.965 10.739 -6.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 7.320 13.090 -7.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 5.974 12.522 -7.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 5.751 13.467 -6.498 1.00 0.00 H new ATOM 1909 N GLU A 119 2.626 10.189 -1.578 1.00 0.00 N ATOM 1910 CA GLU A 119 1.575 10.837 -0.809 1.00 0.00 C ATOM 1911 C GLU A 119 1.016 9.874 0.226 1.00 0.00 C ATOM 1912 O GLU A 119 0.933 8.675 -0.014 1.00 0.00 O ATOM 1913 CB GLU A 119 0.453 11.302 -1.737 1.00 0.00 C ATOM 1914 CG GLU A 119 0.012 12.714 -1.342 1.00 0.00 C ATOM 1915 CD GLU A 119 1.041 13.732 -1.820 1.00 0.00 C ATOM 1916 OE1 GLU A 119 1.141 13.924 -3.021 1.00 0.00 O ATOM 1917 OE2 GLU A 119 1.715 14.304 -0.979 1.00 0.00 O ATOM 0 H GLU A 119 2.608 9.170 -1.550 1.00 0.00 H new ATOM 0 HA GLU A 119 1.999 11.703 -0.300 1.00 0.00 H new ATOM 0 HB2 GLU A 119 0.796 11.293 -2.772 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -0.392 10.616 -1.675 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -0.962 12.936 -1.779 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -0.102 12.779 -0.260 1.00 0.00 H new ATOM 1924 N SER A 120 0.639 10.402 1.376 1.00 0.00 N ATOM 1925 CA SER A 120 0.094 9.568 2.437 1.00 0.00 C ATOM 1926 C SER A 120 -0.559 10.434 3.501 1.00 0.00 C ATOM 1927 O SER A 120 -0.553 11.660 3.403 1.00 0.00 O ATOM 1928 CB SER A 120 1.206 8.737 3.075 1.00 0.00 C ATOM 1929 OG SER A 120 2.132 9.606 3.713 1.00 0.00 O ATOM 0 H SER A 120 0.698 11.395 1.600 1.00 0.00 H new ATOM 0 HA SER A 120 -0.653 8.902 2.005 1.00 0.00 H new ATOM 0 HB2 SER A 120 0.785 8.040 3.799 1.00 0.00 H new ATOM 0 HB3 SER A 120 1.712 8.141 2.316 1.00 0.00 H new ATOM 0 HG SER A 120 3.020 9.487 3.316 1.00 0.00 H new ATOM 1935 N ASP A 121 -1.119 9.790 4.517 1.00 0.00 N ATOM 1936 CA ASP A 121 -1.774 10.518 5.608 1.00 0.00 C ATOM 1937 C ASP A 121 -3.093 11.125 5.139 1.00 0.00 C ATOM 1938 O ASP A 121 -3.764 11.837 5.889 1.00 0.00 O ATOM 1939 CB ASP A 121 -0.859 11.630 6.148 1.00 0.00 C ATOM 1940 CG ASP A 121 -1.457 13.007 5.856 1.00 0.00 C ATOM 1941 OD1 ASP A 121 -1.424 13.417 4.707 1.00 0.00 O ATOM 1942 OD2 ASP A 121 -1.943 13.629 6.787 1.00 0.00 O ATOM 0 H ASP A 121 -1.136 8.775 4.613 1.00 0.00 H new ATOM 0 HA ASP A 121 -1.976 9.805 6.408 1.00 0.00 H new ATOM 0 HB2 ASP A 121 -0.723 11.507 7.222 1.00 0.00 H new ATOM 0 HB3 ASP A 121 0.127 11.551 5.691 1.00 0.00 H new ATOM 1947 N ILE A 122 -3.464 10.830 3.899 1.00 0.00 N ATOM 1948 CA ILE A 122 -4.702 11.345 3.341 1.00 0.00 C ATOM 1949 C ILE A 122 -5.858 11.147 4.317 1.00 0.00 C ATOM 1950 O ILE A 122 -6.868 11.847 4.250 1.00 0.00 O ATOM 1951 CB ILE A 122 -4.989 10.622 2.029 1.00 0.00 C ATOM 1952 CG1 ILE A 122 -4.246 11.312 0.882 1.00 0.00 C ATOM 1953 CG2 ILE A 122 -6.488 10.645 1.753 1.00 0.00 C ATOM 1954 CD1 ILE A 122 -2.737 11.285 1.141 1.00 0.00 C ATOM 0 H ILE A 122 -2.926 10.239 3.265 1.00 0.00 H new ATOM 0 HA ILE A 122 -4.598 12.415 3.158 1.00 0.00 H new ATOM 0 HB ILE A 122 -4.649 9.589 2.106 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -4.470 10.812 -0.060 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -4.588 12.342 0.785 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -6.693 10.128 0.815 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -7.015 10.145 2.566 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -6.829 11.678 1.680 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -2.218 11.778 0.319 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -2.518 11.806 2.073 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -2.399 10.251 1.215 1.00 0.00 H new ATOM 1966 N MET A 123 -5.705 10.189 5.216 1.00 0.00 N ATOM 1967 CA MET A 123 -6.733 9.902 6.187 1.00 0.00 C ATOM 1968 C MET A 123 -8.010 9.457 5.499 1.00 0.00 C ATOM 1969 O MET A 123 -8.513 10.131 4.601 1.00 0.00 O ATOM 1970 CB MET A 123 -6.985 11.139 7.033 1.00 0.00 C ATOM 1971 CG MET A 123 -6.942 10.762 8.510 1.00 0.00 C ATOM 1972 SD MET A 123 -5.290 10.155 8.966 1.00 0.00 S ATOM 1973 CE MET A 123 -5.777 8.518 9.586 1.00 0.00 C ATOM 0 H MET A 123 -4.876 9.599 5.289 1.00 0.00 H new ATOM 0 HA MET A 123 -6.399 9.088 6.831 1.00 0.00 H new ATOM 0 HB2 MET A 123 -6.233 11.899 6.819 1.00 0.00 H new ATOM 0 HB3 MET A 123 -7.955 11.571 6.785 1.00 0.00 H new ATOM 0 HG2 MET A 123 -7.198 11.628 9.120 1.00 0.00 H new ATOM 0 HG3 MET A 123 -7.688 9.994 8.717 1.00 0.00 H new ATOM 0 HE1 MET A 123 -4.955 8.086 10.157 1.00 0.00 H new ATOM 0 HE2 MET A 123 -6.652 8.618 10.228 1.00 0.00 H new ATOM 0 HE3 MET A 123 -6.016 7.867 8.745 1.00 0.00 H new ATOM 1983 N THR A 124 -8.522 8.307 5.928 1.00 0.00 N ATOM 1984 CA THR A 124 -9.743 7.758 5.347 1.00 0.00 C ATOM 1985 C THR A 124 -10.763 7.446 6.437 1.00 0.00 C ATOM 1986 O THR A 124 -10.498 7.637 7.624 1.00 0.00 O ATOM 1987 CB THR A 124 -9.428 6.486 4.554 1.00 0.00 C ATOM 1988 OG1 THR A 124 -8.908 5.494 5.429 1.00 0.00 O ATOM 1989 CG2 THR A 124 -8.398 6.798 3.466 1.00 0.00 C ATOM 0 H THR A 124 -8.113 7.740 6.671 1.00 0.00 H new ATOM 0 HA THR A 124 -10.166 8.504 4.674 1.00 0.00 H new ATOM 0 HB THR A 124 -10.343 6.117 4.090 1.00 0.00 H new ATOM 0 HG1 THR A 124 -9.469 4.692 5.384 1.00 0.00 H new ATOM 0 HG21 THR A 124 -8.176 5.891 2.904 1.00 0.00 H new ATOM 0 HG22 THR A 124 -8.799 7.554 2.791 1.00 0.00 H new ATOM 0 HG23 THR A 124 -7.484 7.172 3.927 1.00 0.00 H new ATOM 1997 N THR A 125 -11.931 6.972 6.020 1.00 0.00 N ATOM 1998 CA THR A 125 -12.994 6.645 6.964 1.00 0.00 C ATOM 1999 C THR A 125 -12.814 5.236 7.514 1.00 0.00 C ATOM 2000 O THR A 125 -13.553 4.808 8.400 1.00 0.00 O ATOM 2001 CB THR A 125 -14.355 6.748 6.273 1.00 0.00 C ATOM 2002 OG1 THR A 125 -14.423 5.796 5.220 1.00 0.00 O ATOM 2003 CG2 THR A 125 -14.535 8.156 5.703 1.00 0.00 C ATOM 0 H THR A 125 -12.166 6.806 5.041 1.00 0.00 H new ATOM 0 HA THR A 125 -12.946 7.354 7.790 1.00 0.00 H new ATOM 0 HB THR A 125 -15.146 6.548 6.996 1.00 0.00 H new ATOM 0 HG1 THR A 125 -15.295 5.860 4.777 1.00 0.00 H new ATOM 0 HG21 THR A 125 -15.505 8.228 5.211 1.00 0.00 H new ATOM 0 HG22 THR A 125 -14.483 8.885 6.511 1.00 0.00 H new ATOM 0 HG23 THR A 125 -13.745 8.359 4.980 1.00 0.00 H new ATOM 2011 N ASN A 126 -11.831 4.525 6.978 1.00 0.00 N ATOM 2012 CA ASN A 126 -11.555 3.161 7.413 1.00 0.00 C ATOM 2013 C ASN A 126 -10.082 2.997 7.773 1.00 0.00 C ATOM 2014 O ASN A 126 -9.608 1.882 7.986 1.00 0.00 O ATOM 2015 CB ASN A 126 -11.920 2.173 6.304 1.00 0.00 C ATOM 2016 CG ASN A 126 -11.760 2.833 4.935 1.00 0.00 C ATOM 2017 OD1 ASN A 126 -10.936 3.836 4.792 1.00 0.00 O flip ATOM 2018 ND2 ASN A 126 -12.400 2.418 3.968 1.00 0.00 N flip ATOM 0 H ASN A 126 -11.212 4.868 6.243 1.00 0.00 H new ATOM 0 HA ASN A 126 -12.159 2.957 8.297 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -11.282 1.292 6.368 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -12.947 1.833 6.434 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -13.043 1.635 4.080 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -12.287 2.858 3.055 1.00 0.00 H new ATOM 2025 N GLY A 127 -9.364 4.114 7.838 1.00 0.00 N ATOM 2026 CA GLY A 127 -7.947 4.075 8.175 1.00 0.00 C ATOM 2027 C GLY A 127 -7.186 5.194 7.474 1.00 0.00 C ATOM 2028 O GLY A 127 -7.693 6.306 7.330 1.00 0.00 O ATOM 0 H GLY A 127 -9.736 5.048 7.664 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -7.824 4.168 9.254 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -7.528 3.111 7.888 1.00 0.00 H new ATOM 2032 N VAL A 128 -5.964 4.889 7.046 1.00 0.00 N ATOM 2033 CA VAL A 128 -5.128 5.872 6.360 1.00 0.00 C ATOM 2034 C VAL A 128 -4.604 5.309 5.049 1.00 0.00 C ATOM 2035 O VAL A 128 -4.492 4.088 4.877 1.00 0.00 O ATOM 2036 CB VAL A 128 -3.953 6.261 7.247 1.00 0.00 C ATOM 2037 CG1 VAL A 128 -2.866 5.201 7.143 1.00 0.00 C ATOM 2038 CG2 VAL A 128 -3.389 7.609 6.805 1.00 0.00 C ATOM 0 H VAL A 128 -5.531 3.973 7.161 1.00 0.00 H new ATOM 0 HA VAL A 128 -5.736 6.752 6.148 1.00 0.00 H new ATOM 0 HB VAL A 128 -4.295 6.337 8.279 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -2.025 5.479 7.778 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -3.263 4.239 7.468 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -2.530 5.124 6.109 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -2.549 7.879 7.445 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -3.050 7.540 5.771 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -4.164 8.371 6.883 1.00 0.00 H new ATOM 2048 N ILE A 129 -4.282 6.215 4.132 1.00 0.00 N ATOM 2049 CA ILE A 129 -3.777 5.821 2.830 1.00 0.00 C ATOM 2050 C ILE A 129 -2.295 6.136 2.690 1.00 0.00 C ATOM 2051 O ILE A 129 -1.796 7.134 3.231 1.00 0.00 O ATOM 2052 CB ILE A 129 -4.584 6.543 1.731 1.00 0.00 C ATOM 2053 CG1 ILE A 129 -5.554 5.557 1.080 1.00 0.00 C ATOM 2054 CG2 ILE A 129 -3.666 7.124 0.641 1.00 0.00 C ATOM 2055 CD1 ILE A 129 -6.551 6.329 0.211 1.00 0.00 C ATOM 0 H ILE A 129 -4.363 7.223 4.269 1.00 0.00 H new ATOM 0 HA ILE A 129 -3.894 4.743 2.724 1.00 0.00 H new ATOM 0 HB ILE A 129 -5.125 7.364 2.202 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -5.006 4.837 0.473 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -6.084 4.990 1.846 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -4.271 7.625 -0.115 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -2.978 7.841 1.089 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -3.098 6.318 0.176 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -7.245 5.630 -0.255 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -7.107 7.032 0.832 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -6.012 6.876 -0.563 1.00 0.00 H new ATOM 2067 N HIS A 130 -1.602 5.279 1.941 1.00 0.00 N ATOM 2068 CA HIS A 130 -0.181 5.473 1.700 1.00 0.00 C ATOM 2069 C HIS A 130 0.130 5.228 0.228 1.00 0.00 C ATOM 2070 O HIS A 130 0.053 4.102 -0.259 1.00 0.00 O ATOM 2071 CB HIS A 130 0.646 4.530 2.581 1.00 0.00 C ATOM 2072 CG HIS A 130 2.122 4.829 2.445 1.00 0.00 C ATOM 2073 ND1 HIS A 130 3.052 4.285 3.313 1.00 0.00 N ATOM 2074 CD2 HIS A 130 2.850 5.598 1.561 1.00 0.00 C ATOM 2075 CE1 HIS A 130 4.266 4.726 2.945 1.00 0.00 C ATOM 2076 NE2 HIS A 130 4.200 5.531 1.883 1.00 0.00 N ATOM 0 H HIS A 130 -2.001 4.452 1.496 1.00 0.00 H new ATOM 0 HA HIS A 130 0.083 6.500 1.954 1.00 0.00 H new ATOM 0 HB2 HIS A 130 0.343 4.638 3.622 1.00 0.00 H new ATOM 0 HB3 HIS A 130 0.452 3.496 2.298 1.00 0.00 H new ATOM 0 HD1 HIS A 130 2.851 3.660 4.094 1.00 0.00 H new ATOM 0 HD2 HIS A 130 2.434 6.166 0.742 1.00 0.00 H new ATOM 0 HE1 HIS A 130 5.184 4.461 3.448 1.00 0.00 H new ATOM 0 HE2 HIS A 130 4.974 5.997 1.409 1.00 0.00 H new ATOM 2085 N VAL A 131 0.490 6.307 -0.460 1.00 0.00 N ATOM 2086 CA VAL A 131 0.832 6.246 -1.877 1.00 0.00 C ATOM 2087 C VAL A 131 2.340 6.272 -2.070 1.00 0.00 C ATOM 2088 O VAL A 131 3.025 7.174 -1.580 1.00 0.00 O ATOM 2089 CB VAL A 131 0.218 7.431 -2.627 1.00 0.00 C ATOM 2090 CG1 VAL A 131 0.430 7.236 -4.128 1.00 0.00 C ATOM 2091 CG2 VAL A 131 -1.281 7.517 -2.323 1.00 0.00 C ATOM 0 H VAL A 131 0.553 7.241 -0.055 1.00 0.00 H new ATOM 0 HA VAL A 131 0.433 5.313 -2.274 1.00 0.00 H new ATOM 0 HB VAL A 131 0.698 8.356 -2.306 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -0.005 8.076 -4.669 1.00 0.00 H new ATOM 0 HG12 VAL A 131 1.498 7.181 -4.341 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -0.051 6.311 -4.446 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -1.713 8.362 -2.859 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -1.770 6.597 -2.642 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -1.428 7.654 -1.252 1.00 0.00 H new ATOM 2101 N VAL A 132 2.845 5.283 -2.802 1.00 0.00 N ATOM 2102 CA VAL A 132 4.283 5.194 -3.076 1.00 0.00 C ATOM 2103 C VAL A 132 4.537 5.103 -4.578 1.00 0.00 C ATOM 2104 O VAL A 132 3.601 4.975 -5.367 1.00 0.00 O ATOM 2105 CB VAL A 132 4.870 3.967 -2.380 1.00 0.00 C ATOM 2106 CG1 VAL A 132 4.702 4.115 -0.866 1.00 0.00 C ATOM 2107 CG2 VAL A 132 4.139 2.709 -2.854 1.00 0.00 C ATOM 0 H VAL A 132 2.288 4.535 -3.215 1.00 0.00 H new ATOM 0 HA VAL A 132 4.765 6.093 -2.693 1.00 0.00 H new ATOM 0 HB VAL A 132 5.929 3.882 -2.624 1.00 0.00 H new ATOM 0 HG11 VAL A 132 5.120 3.241 -0.366 1.00 0.00 H new ATOM 0 HG12 VAL A 132 5.224 5.010 -0.528 1.00 0.00 H new ATOM 0 HG13 VAL A 132 3.643 4.199 -0.624 1.00 0.00 H new ATOM 0 HG21 VAL A 132 4.559 1.835 -2.356 1.00 0.00 H new ATOM 0 HG22 VAL A 132 3.080 2.791 -2.611 1.00 0.00 H new ATOM 0 HG23 VAL A 132 4.257 2.604 -3.933 1.00 0.00 H new ATOM 2117 N ASP A 133 5.808 5.173 -4.964 1.00 0.00 N ATOM 2118 CA ASP A 133 6.181 5.099 -6.375 1.00 0.00 C ATOM 2119 C ASP A 133 7.114 3.920 -6.621 1.00 0.00 C ATOM 2120 O ASP A 133 8.128 4.047 -7.310 1.00 0.00 O ATOM 2121 CB ASP A 133 6.868 6.399 -6.797 1.00 0.00 C ATOM 2122 CG ASP A 133 8.120 6.627 -5.957 1.00 0.00 C ATOM 2123 OD1 ASP A 133 9.204 6.400 -6.470 1.00 0.00 O ATOM 2124 OD2 ASP A 133 7.978 7.029 -4.814 1.00 0.00 O ATOM 0 H ASP A 133 6.594 5.280 -4.323 1.00 0.00 H new ATOM 0 HA ASP A 133 5.277 4.957 -6.967 1.00 0.00 H new ATOM 0 HB2 ASP A 133 7.133 6.353 -7.853 1.00 0.00 H new ATOM 0 HB3 ASP A 133 6.182 7.238 -6.676 1.00 0.00 H new ATOM 2129 N LYS A 134 6.759 2.769 -6.061 1.00 0.00 N ATOM 2130 CA LYS A 134 7.566 1.567 -6.228 1.00 0.00 C ATOM 2131 C LYS A 134 6.808 0.348 -5.720 1.00 0.00 C ATOM 2132 O LYS A 134 5.883 0.471 -4.921 1.00 0.00 O ATOM 2133 CB LYS A 134 8.881 1.707 -5.455 1.00 0.00 C ATOM 2134 CG LYS A 134 9.538 0.331 -5.277 1.00 0.00 C ATOM 2135 CD LYS A 134 10.950 0.500 -4.719 1.00 0.00 C ATOM 2136 CE LYS A 134 11.201 -0.558 -3.644 1.00 0.00 C ATOM 2137 NZ LYS A 134 12.660 -0.639 -3.357 1.00 0.00 N ATOM 0 H LYS A 134 5.923 2.643 -5.491 1.00 0.00 H new ATOM 0 HA LYS A 134 7.781 1.438 -7.289 1.00 0.00 H new ATOM 0 HB2 LYS A 134 9.557 2.375 -5.990 1.00 0.00 H new ATOM 0 HB3 LYS A 134 8.693 2.157 -4.480 1.00 0.00 H new ATOM 0 HG2 LYS A 134 8.941 -0.282 -4.602 1.00 0.00 H new ATOM 0 HG3 LYS A 134 9.575 -0.191 -6.233 1.00 0.00 H new ATOM 0 HD2 LYS A 134 11.683 0.402 -5.519 1.00 0.00 H new ATOM 0 HD3 LYS A 134 11.069 1.498 -4.298 1.00 0.00 H new ATOM 0 HE2 LYS A 134 10.654 -0.305 -2.735 1.00 0.00 H new ATOM 0 HE3 LYS A 134 10.831 -1.527 -3.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 12.831 -1.359 -2.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 13.171 -0.899 -4.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 12.999 0.284 -3.020 1.00 0.00 H new ATOM 2151 N LEU A 135 7.220 -0.830 -6.175 1.00 0.00 N ATOM 2152 CA LEU A 135 6.578 -2.066 -5.746 1.00 0.00 C ATOM 2153 C LEU A 135 7.421 -2.755 -4.679 1.00 0.00 C ATOM 2154 O LEU A 135 8.580 -3.096 -4.915 1.00 0.00 O ATOM 2155 CB LEU A 135 6.393 -3.006 -6.943 1.00 0.00 C ATOM 2156 CG LEU A 135 5.616 -4.259 -6.513 1.00 0.00 C ATOM 2157 CD1 LEU A 135 4.215 -3.868 -6.040 1.00 0.00 C ATOM 2158 CD2 LEU A 135 5.491 -5.217 -7.701 1.00 0.00 C ATOM 0 H LEU A 135 7.988 -0.955 -6.834 1.00 0.00 H new ATOM 0 HA LEU A 135 5.602 -1.823 -5.326 1.00 0.00 H new ATOM 0 HB2 LEU A 135 5.857 -2.491 -7.740 1.00 0.00 H new ATOM 0 HB3 LEU A 135 7.365 -3.291 -7.345 1.00 0.00 H new ATOM 0 HG LEU A 135 6.152 -4.746 -5.698 1.00 0.00 H new ATOM 0 HD11 LEU A 135 3.671 -4.762 -5.737 1.00 0.00 H new ATOM 0 HD12 LEU A 135 4.294 -3.187 -5.193 1.00 0.00 H new ATOM 0 HD13 LEU A 135 3.681 -3.376 -6.853 1.00 0.00 H new ATOM 0 HD21 LEU A 135 4.939 -6.106 -7.395 1.00 0.00 H new ATOM 0 HD22 LEU A 135 4.959 -4.722 -8.513 1.00 0.00 H new ATOM 0 HD23 LEU A 135 6.485 -5.506 -8.041 1.00 0.00 H new ATOM 2170 N LEU A 136 6.832 -2.962 -3.507 1.00 0.00 N ATOM 2171 CA LEU A 136 7.548 -3.619 -2.419 1.00 0.00 C ATOM 2172 C LEU A 136 7.498 -5.134 -2.587 1.00 0.00 C ATOM 2173 O LEU A 136 6.428 -5.706 -2.801 1.00 0.00 O ATOM 2174 CB LEU A 136 6.935 -3.232 -1.074 1.00 0.00 C ATOM 2175 CG LEU A 136 6.715 -1.718 -1.008 1.00 0.00 C ATOM 2176 CD1 LEU A 136 6.380 -1.329 0.422 1.00 0.00 C ATOM 2177 CD2 LEU A 136 7.988 -0.986 -1.447 1.00 0.00 C ATOM 0 H LEU A 136 5.874 -2.689 -3.287 1.00 0.00 H new ATOM 0 HA LEU A 136 8.588 -3.293 -2.446 1.00 0.00 H new ATOM 0 HB2 LEU A 136 5.986 -3.751 -0.936 1.00 0.00 H new ATOM 0 HB3 LEU A 136 7.592 -3.547 -0.263 1.00 0.00 H new ATOM 0 HG LEU A 136 5.896 -1.441 -1.672 1.00 0.00 H new ATOM 0 HD11 LEU A 136 6.222 -0.252 0.479 1.00 0.00 H new ATOM 0 HD12 LEU A 136 5.474 -1.846 0.737 1.00 0.00 H new ATOM 0 HD13 LEU A 136 7.204 -1.609 1.078 1.00 0.00 H new ATOM 0 HD21 LEU A 136 7.824 0.090 -1.398 1.00 0.00 H new ATOM 0 HD22 LEU A 136 8.811 -1.259 -0.786 1.00 0.00 H new ATOM 0 HD23 LEU A 136 8.236 -1.269 -2.470 1.00 0.00 H new