USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 760 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 77 THR OG1 : rot 180:sc= -0.807 USER MOD Set 1.2: A 80 ASN : amide:sc= -1.91 K(o=-2.7,f=-3.5!) USER MOD Set 2.1: A 42 HIS : no HD1:sc= -0.621 X(o=-1.3,f=-0.88) USER MOD Set 2.2: A 46 MET CE :methyl 135:sc= -0.633 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 24:sc= -0.594 USER MOD Single : A 27 SER OG : rot 135:sc= 0.172 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.247 K(o=-0.25,f=-2.7!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot -10:sc= -0.364 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -3.83! C(o=-3.8!,f=-6.5!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.433 K(o=-0.43,f=-1.4!) USER MOD Single : A 51 ASN : amide:sc= -0.0126 K(o=-0.013,f=-1.4) USER MOD Single : A 52 ASN : amide:sc= -1.07 X(o=-1.1,f=-1.3) USER MOD Single : A 54 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0272) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -2.11 X(o=-2.1,f=-1.9) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot -54:sc= -0.0512 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -0.659 X(o=-0.66,f=-0.41) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 146:sc= -1.76 (180deg=-4.65!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= -0.0265 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 119:sc= 1.11 USER MOD Single : A 92 MET CE :methyl -132:sc= -1.86 (180deg=-4.99!) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 ASN : amide:sc= 0.588 K(o=0.59,f=0) USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 HIS : no HD1:sc= -0.0506 X(o=-0.051,f=0) USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 26 -7.218 -15.322 -9.582 1.00 0.00 N ATOM 2 CA THR A 26 -8.221 -15.968 -8.742 1.00 0.00 C ATOM 3 C THR A 26 -9.120 -14.931 -8.077 1.00 0.00 C ATOM 4 O THR A 26 -10.321 -14.876 -8.340 1.00 0.00 O ATOM 5 CB THR A 26 -7.546 -16.834 -7.679 1.00 0.00 C ATOM 6 OG1 THR A 26 -6.440 -17.529 -8.226 1.00 0.00 O ATOM 7 CG2 THR A 26 -8.473 -17.860 -7.064 1.00 0.00 C ATOM 0 HA THR A 26 -8.838 -16.604 -9.377 1.00 0.00 H new ATOM 0 HB THR A 26 -7.231 -16.140 -6.900 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.105 -17.046 -9.010 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.930 -18.440 -6.318 1.00 0.00 H new ATOM 0 HG22 THR A 26 -9.313 -17.353 -6.589 1.00 0.00 H new ATOM 0 HG23 THR A 26 -8.845 -18.527 -7.842 1.00 0.00 H new ATOM 15 N SER A 27 -8.528 -14.107 -7.218 1.00 0.00 N ATOM 16 CA SER A 27 -9.275 -13.070 -6.517 1.00 0.00 C ATOM 17 C SER A 27 -8.508 -11.752 -6.525 1.00 0.00 C ATOM 18 O SER A 27 -7.842 -11.401 -5.551 1.00 0.00 O ATOM 19 CB SER A 27 -9.564 -13.502 -5.078 1.00 0.00 C ATOM 20 OG SER A 27 -10.869 -13.122 -4.682 1.00 0.00 O ATOM 0 H SER A 27 -7.534 -14.138 -6.991 1.00 0.00 H new ATOM 0 HA SER A 27 -10.221 -12.922 -7.037 1.00 0.00 H new ATOM 0 HB2 SER A 27 -9.455 -14.583 -4.991 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.832 -13.053 -4.407 1.00 0.00 H new ATOM 0 HG SER A 27 -11.305 -13.873 -4.228 1.00 0.00 H new ATOM 25 N LYS A 28 -8.605 -11.026 -7.632 1.00 0.00 N ATOM 26 CA LYS A 28 -7.918 -9.747 -7.769 1.00 0.00 C ATOM 27 C LYS A 28 -8.742 -8.620 -7.158 1.00 0.00 C ATOM 28 O LYS A 28 -9.852 -8.335 -7.608 1.00 0.00 O ATOM 29 CB LYS A 28 -7.638 -9.450 -9.243 1.00 0.00 C ATOM 30 CG LYS A 28 -6.894 -8.143 -9.468 1.00 0.00 C ATOM 31 CD LYS A 28 -7.471 -7.364 -10.642 1.00 0.00 C ATOM 32 CE LYS A 28 -6.416 -7.083 -11.700 1.00 0.00 C ATOM 33 NZ LYS A 28 -7.026 -6.737 -13.014 1.00 0.00 N ATOM 0 H LYS A 28 -9.152 -11.301 -8.448 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.971 -9.812 -7.233 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.055 -10.268 -9.666 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.583 -9.419 -9.785 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.946 -7.534 -8.566 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.840 -8.351 -9.651 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.291 -7.928 -11.086 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.889 -6.423 -10.285 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.779 -6.263 -11.368 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.776 -7.958 -11.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.274 -6.553 -13.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.614 -7.529 -13.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.617 -5.887 -12.910 1.00 0.00 H new ATOM 47 N GLN A 29 -8.189 -7.978 -6.133 1.00 0.00 N ATOM 48 CA GLN A 29 -8.873 -6.876 -5.465 1.00 0.00 C ATOM 49 C GLN A 29 -8.063 -5.593 -5.578 1.00 0.00 C ATOM 50 O GLN A 29 -6.832 -5.617 -5.539 1.00 0.00 O ATOM 51 CB GLN A 29 -9.127 -7.212 -3.994 1.00 0.00 C ATOM 52 CG GLN A 29 -10.318 -6.475 -3.403 1.00 0.00 C ATOM 53 CD GLN A 29 -11.532 -7.369 -3.235 1.00 0.00 C ATOM 54 OE1 GLN A 29 -11.508 -8.544 -3.602 1.00 0.00 O ATOM 55 NE2 GLN A 29 -12.603 -6.815 -2.678 1.00 0.00 N ATOM 0 H GLN A 29 -7.271 -8.201 -5.748 1.00 0.00 H new ATOM 0 HA GLN A 29 -9.833 -6.725 -5.958 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -9.289 -8.286 -3.897 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -8.236 -6.970 -3.415 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -10.040 -6.060 -2.434 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -10.577 -5.634 -4.047 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -12.579 -5.837 -2.388 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -13.449 -7.367 -2.540 1.00 0.00 H new ATOM 64 N GLU A 30 -8.760 -4.476 -5.734 1.00 0.00 N ATOM 65 CA GLU A 30 -8.105 -3.183 -5.870 1.00 0.00 C ATOM 66 C GLU A 30 -8.746 -2.137 -4.961 1.00 0.00 C ATOM 67 O GLU A 30 -9.966 -1.981 -4.940 1.00 0.00 O ATOM 68 CB GLU A 30 -8.164 -2.732 -7.331 1.00 0.00 C ATOM 69 CG GLU A 30 -9.535 -2.241 -7.771 1.00 0.00 C ATOM 70 CD GLU A 30 -9.853 -2.609 -9.207 1.00 0.00 C ATOM 71 OE1 GLU A 30 -10.025 -3.814 -9.487 1.00 0.00 O ATOM 72 OE2 GLU A 30 -9.929 -1.692 -10.052 1.00 0.00 O ATOM 0 H GLU A 30 -9.779 -4.439 -5.769 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.064 -3.288 -5.565 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.437 -1.934 -7.484 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.865 -3.563 -7.970 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.296 -2.663 -7.115 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.582 -1.158 -7.658 1.00 0.00 H new ATOM 79 N LEU A 31 -7.910 -1.421 -4.216 1.00 0.00 N ATOM 80 CA LEU A 31 -8.389 -0.385 -3.309 1.00 0.00 C ATOM 81 C LEU A 31 -8.174 0.999 -3.911 1.00 0.00 C ATOM 82 O LEU A 31 -7.156 1.254 -4.554 1.00 0.00 O ATOM 83 CB LEU A 31 -7.674 -0.489 -1.959 1.00 0.00 C ATOM 84 CG LEU A 31 -7.924 -1.791 -1.194 1.00 0.00 C ATOM 85 CD1 LEU A 31 -6.737 -2.731 -1.337 1.00 0.00 C ATOM 86 CD2 LEU A 31 -8.202 -1.502 0.274 1.00 0.00 C ATOM 0 H LEU A 31 -6.897 -1.540 -4.223 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.458 -0.533 -3.155 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.602 -0.382 -2.123 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.986 0.348 -1.334 1.00 0.00 H new ATOM 0 HG LEU A 31 -8.801 -2.278 -1.621 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.933 -3.651 -0.786 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.583 -2.964 -2.390 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.843 -2.252 -0.937 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.377 -2.439 0.802 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.344 -0.993 0.713 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.084 -0.867 0.359 1.00 0.00 H new ATOM 98 N ILE A 32 -9.139 1.888 -3.705 1.00 0.00 N ATOM 99 CA ILE A 32 -9.051 3.243 -4.234 1.00 0.00 C ATOM 100 C ILE A 32 -8.543 4.218 -3.178 1.00 0.00 C ATOM 101 O ILE A 32 -9.114 4.328 -2.094 1.00 0.00 O ATOM 102 CB ILE A 32 -10.413 3.731 -4.753 1.00 0.00 C ATOM 103 CG1 ILE A 32 -11.042 2.677 -5.666 1.00 0.00 C ATOM 104 CG2 ILE A 32 -10.257 5.056 -5.488 1.00 0.00 C ATOM 105 CD1 ILE A 32 -10.199 2.346 -6.877 1.00 0.00 C ATOM 0 H ILE A 32 -9.990 1.695 -3.176 1.00 0.00 H new ATOM 0 HA ILE A 32 -8.343 3.212 -5.063 1.00 0.00 H new ATOM 0 HB ILE A 32 -11.076 3.888 -3.902 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -11.213 1.766 -5.092 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -12.018 3.032 -5.998 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -11.230 5.388 -5.849 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -9.848 5.803 -4.808 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -9.581 4.926 -6.333 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -10.707 1.592 -7.479 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -10.050 3.246 -7.473 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -9.232 1.961 -6.553 1.00 0.00 H new ATOM 117 N LEU A 33 -7.466 4.925 -3.505 1.00 0.00 N ATOM 118 CA LEU A 33 -6.878 5.895 -2.589 1.00 0.00 C ATOM 119 C LEU A 33 -6.922 7.293 -3.182 1.00 0.00 C ATOM 120 O LEU A 33 -7.077 7.463 -4.395 1.00 0.00 O ATOM 121 CB LEU A 33 -5.433 5.512 -2.263 1.00 0.00 C ATOM 122 CG LEU A 33 -5.256 4.670 -0.999 1.00 0.00 C ATOM 123 CD1 LEU A 33 -4.130 3.663 -1.181 1.00 0.00 C ATOM 124 CD2 LEU A 33 -4.984 5.564 0.201 1.00 0.00 C ATOM 0 H LEU A 33 -6.982 4.844 -4.399 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.463 5.890 -1.669 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.019 4.962 -3.108 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.846 6.425 -2.158 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.180 4.121 -0.818 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.019 3.073 -0.271 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.364 3.002 -2.016 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.199 4.191 -1.387 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.861 4.949 1.092 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.074 6.139 0.028 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.822 6.246 0.344 1.00 0.00 H new ATOM 136 N VAL A 34 -6.789 8.300 -2.326 1.00 0.00 N ATOM 137 CA VAL A 34 -6.819 9.691 -2.771 1.00 0.00 C ATOM 138 C VAL A 34 -6.033 10.586 -1.824 1.00 0.00 C ATOM 139 O VAL A 34 -6.344 10.682 -0.637 1.00 0.00 O ATOM 140 CB VAL A 34 -8.262 10.225 -2.887 1.00 0.00 C ATOM 141 CG1 VAL A 34 -8.272 11.596 -3.530 1.00 0.00 C ATOM 142 CG2 VAL A 34 -9.126 9.247 -3.669 1.00 0.00 C ATOM 0 H VAL A 34 -6.659 8.181 -1.321 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.358 9.712 -3.758 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.680 10.322 -1.885 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -9.298 11.956 -3.603 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.687 12.287 -2.923 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.837 11.533 -4.528 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -10.141 9.637 -3.743 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -8.714 9.117 -4.670 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -9.143 8.286 -3.156 1.00 0.00 H new ATOM 152 N LEU A 35 -5.007 11.227 -2.361 1.00 0.00 N ATOM 153 CA LEU A 35 -4.156 12.105 -1.583 1.00 0.00 C ATOM 154 C LEU A 35 -4.270 13.548 -2.079 1.00 0.00 C ATOM 155 O LEU A 35 -3.499 13.983 -2.934 1.00 0.00 O ATOM 156 CB LEU A 35 -2.709 11.624 -1.679 1.00 0.00 C ATOM 157 CG LEU A 35 -1.951 11.584 -0.351 1.00 0.00 C ATOM 158 CD1 LEU A 35 -2.084 12.914 0.364 1.00 0.00 C ATOM 159 CD2 LEU A 35 -2.467 10.455 0.522 1.00 0.00 C ATOM 0 H LEU A 35 -4.744 11.152 -3.344 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.478 12.080 -0.542 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.702 10.625 -2.114 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.171 12.275 -2.368 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.896 11.402 -0.555 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.541 12.875 1.308 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.670 13.706 -0.260 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.137 13.119 0.559 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.916 10.442 1.463 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.527 10.607 0.724 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.329 9.504 0.007 1.00 0.00 H new ATOM 171 N LYS A 36 -5.232 14.277 -1.534 1.00 0.00 N ATOM 172 CA LYS A 36 -5.449 15.674 -1.923 1.00 0.00 C ATOM 173 C LYS A 36 -5.736 16.535 -0.706 1.00 0.00 C ATOM 174 O LYS A 36 -6.061 16.033 0.369 1.00 0.00 O ATOM 175 CB LYS A 36 -6.605 15.776 -2.919 1.00 0.00 C ATOM 176 CG LYS A 36 -6.361 16.781 -4.032 1.00 0.00 C ATOM 177 CD LYS A 36 -5.507 16.189 -5.140 1.00 0.00 C ATOM 178 CE LYS A 36 -5.604 17.001 -6.410 1.00 0.00 C ATOM 179 NZ LYS A 36 -6.732 16.559 -7.277 1.00 0.00 N ATOM 0 H LYS A 36 -5.876 13.932 -0.823 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.538 16.038 -2.398 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.782 14.795 -3.359 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.512 16.053 -2.383 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.316 17.109 -4.443 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.869 17.664 -3.625 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.468 16.144 -4.815 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.824 15.165 -5.337 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.733 18.053 -6.157 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.669 16.919 -6.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.759 17.144 -8.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.597 15.562 -7.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.628 16.662 -6.760 1.00 0.00 H new ATOM 193 N GLY A 37 -5.608 17.847 -0.874 1.00 0.00 N ATOM 194 CA GLY A 37 -5.859 18.763 0.219 1.00 0.00 C ATOM 195 C GLY A 37 -4.577 19.307 0.832 1.00 0.00 C ATOM 196 O GLY A 37 -4.471 20.501 1.110 1.00 0.00 O ATOM 0 H GLY A 37 -5.334 18.291 -1.750 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.467 19.594 -0.140 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.438 18.254 0.989 1.00 0.00 H new ATOM 200 N GLU A 38 -3.611 18.422 1.030 1.00 0.00 N ATOM 201 CA GLU A 38 -2.330 18.813 1.610 1.00 0.00 C ATOM 202 C GLU A 38 -1.300 19.090 0.526 1.00 0.00 C ATOM 203 O GLU A 38 -1.014 18.219 -0.301 1.00 0.00 O ATOM 204 CB GLU A 38 -1.818 17.724 2.556 1.00 0.00 C ATOM 205 CG GLU A 38 -2.008 18.046 4.026 1.00 0.00 C ATOM 206 CD GLU A 38 -2.345 16.822 4.859 1.00 0.00 C ATOM 207 OE1 GLU A 38 -3.456 16.282 4.690 1.00 0.00 O ATOM 208 OE2 GLU A 38 -1.503 16.411 5.675 1.00 0.00 O ATOM 0 H GLU A 38 -3.687 17.431 0.799 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.484 19.731 2.177 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.331 16.789 2.330 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.758 17.560 2.364 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.098 18.504 4.413 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.805 18.782 4.132 1.00 0.00 H new ATOM 215 N LEU A 39 -0.752 20.296 0.525 1.00 0.00 N ATOM 216 CA LEU A 39 0.255 20.681 -0.461 1.00 0.00 C ATOM 217 C LEU A 39 1.506 19.833 -0.324 1.00 0.00 C ATOM 218 O LEU A 39 2.257 19.960 0.645 1.00 0.00 O ATOM 219 CB LEU A 39 0.600 22.158 -0.314 1.00 0.00 C ATOM 220 CG LEU A 39 1.605 22.695 -1.334 1.00 0.00 C ATOM 221 CD1 LEU A 39 1.208 24.091 -1.801 1.00 0.00 C ATOM 222 CD2 LEU A 39 3.016 22.708 -0.746 1.00 0.00 C ATOM 0 H LEU A 39 -0.986 21.028 1.196 1.00 0.00 H new ATOM 0 HA LEU A 39 -0.162 20.512 -1.454 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.319 22.739 -0.392 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.998 22.324 0.687 1.00 0.00 H new ATOM 0 HG LEU A 39 1.599 22.031 -2.198 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.937 24.453 -2.526 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.223 24.053 -2.265 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.180 24.767 -0.946 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.716 23.093 -1.488 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.036 23.346 0.138 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.304 21.694 -0.468 1.00 0.00 H new ATOM 234 N ASP A 40 1.730 18.952 -1.302 1.00 0.00 N ATOM 235 CA ASP A 40 2.903 18.077 -1.294 1.00 0.00 C ATOM 236 C ASP A 40 3.243 17.615 -2.703 1.00 0.00 C ATOM 237 O ASP A 40 2.528 17.924 -3.657 1.00 0.00 O ATOM 238 CB ASP A 40 2.650 16.875 -0.388 1.00 0.00 C ATOM 239 CG ASP A 40 3.530 16.873 0.844 1.00 0.00 C ATOM 240 OD1 ASP A 40 4.728 16.535 0.709 1.00 0.00 O ATOM 241 OD2 ASP A 40 3.035 17.212 1.936 1.00 0.00 O ATOM 0 H ASP A 40 1.116 18.826 -2.107 1.00 0.00 H new ATOM 0 HA ASP A 40 3.752 18.640 -0.908 1.00 0.00 H new ATOM 0 HB2 ASP A 40 1.604 16.871 -0.082 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.821 15.958 -0.952 1.00 0.00 H new ATOM 246 N LEU A 41 4.353 16.888 -2.830 1.00 0.00 N ATOM 247 CA LEU A 41 4.795 16.385 -4.126 1.00 0.00 C ATOM 248 C LEU A 41 5.133 14.895 -4.043 1.00 0.00 C ATOM 249 O LEU A 41 4.531 14.074 -4.723 1.00 0.00 O ATOM 250 CB LEU A 41 6.007 17.175 -4.610 1.00 0.00 C ATOM 251 CG LEU A 41 5.784 18.689 -4.741 1.00 0.00 C ATOM 252 CD1 LEU A 41 7.043 19.441 -4.348 1.00 0.00 C ATOM 253 CD2 LEU A 41 5.357 19.044 -6.146 1.00 0.00 C ATOM 0 H LEU A 41 4.961 16.636 -2.051 1.00 0.00 H new ATOM 0 HA LEU A 41 3.981 16.512 -4.840 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.833 17.003 -3.920 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.314 16.783 -5.580 1.00 0.00 H new ATOM 0 HG LEU A 41 4.983 18.985 -4.063 1.00 0.00 H new ATOM 0 HD11 LEU A 41 6.872 20.513 -4.445 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.299 19.207 -3.315 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.863 19.144 -5.001 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.204 20.121 -6.219 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.132 18.739 -6.850 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.427 18.528 -6.385 1.00 0.00 H new ATOM 265 N HIS A 42 6.110 14.570 -3.207 1.00 0.00 N ATOM 266 CA HIS A 42 6.541 13.187 -3.039 1.00 0.00 C ATOM 267 C HIS A 42 5.390 12.323 -2.547 1.00 0.00 C ATOM 268 O HIS A 42 5.194 11.199 -3.022 1.00 0.00 O ATOM 269 CB HIS A 42 7.705 13.111 -2.048 1.00 0.00 C ATOM 270 CG HIS A 42 8.731 12.081 -2.407 1.00 0.00 C ATOM 271 ND1 HIS A 42 8.786 10.838 -1.810 1.00 0.00 N ATOM 272 CD2 HIS A 42 9.743 12.111 -3.299 1.00 0.00 C ATOM 273 CE1 HIS A 42 9.794 10.151 -2.330 1.00 0.00 C ATOM 274 NE2 HIS A 42 10.387 10.901 -3.227 1.00 0.00 N ATOM 0 H HIS A 42 6.619 15.244 -2.635 1.00 0.00 H new ATOM 0 HA HIS A 42 6.871 12.813 -4.008 1.00 0.00 H new ATOM 0 HB2 HIS A 42 8.187 14.087 -1.991 1.00 0.00 H new ATOM 0 HB3 HIS A 42 7.312 12.890 -1.055 1.00 0.00 H new ATOM 0 HD2 HIS A 42 9.999 12.935 -3.949 1.00 0.00 H new ATOM 0 HE1 HIS A 42 10.078 9.145 -2.060 1.00 0.00 H new ATOM 0 HE2 HIS A 42 11.198 10.629 -3.783 1.00 0.00 H new ATOM 283 N SER A 43 4.621 12.849 -1.592 1.00 0.00 N ATOM 284 CA SER A 43 3.487 12.128 -1.040 1.00 0.00 C ATOM 285 C SER A 43 3.932 10.831 -0.370 1.00 0.00 C ATOM 286 O SER A 43 4.462 9.933 -1.013 1.00 0.00 O ATOM 287 CB SER A 43 2.467 11.816 -2.137 1.00 0.00 C ATOM 288 OG SER A 43 1.137 11.921 -1.653 1.00 0.00 O ATOM 0 H SER A 43 4.768 13.774 -1.188 1.00 0.00 H new ATOM 0 HA SER A 43 3.023 12.766 -0.287 1.00 0.00 H new ATOM 0 HB2 SER A 43 2.607 12.502 -2.972 1.00 0.00 H new ATOM 0 HB3 SER A 43 2.638 10.810 -2.519 1.00 0.00 H new ATOM 0 HG SER A 43 1.150 12.014 -0.678 1.00 0.00 H new ATOM 294 N LYS A 44 3.717 10.749 0.941 1.00 0.00 N ATOM 295 CA LYS A 44 4.094 9.565 1.705 1.00 0.00 C ATOM 296 C LYS A 44 3.082 8.438 1.529 1.00 0.00 C ATOM 297 O LYS A 44 3.270 7.342 2.056 1.00 0.00 O ATOM 298 CB LYS A 44 4.227 9.917 3.194 1.00 0.00 C ATOM 299 CG LYS A 44 5.393 10.844 3.491 1.00 0.00 C ATOM 300 CD LYS A 44 5.798 10.770 4.956 1.00 0.00 C ATOM 301 CE LYS A 44 6.284 12.119 5.472 1.00 0.00 C ATOM 302 NZ LYS A 44 5.840 12.376 6.866 1.00 0.00 N ATOM 0 H LYS A 44 3.284 11.488 1.495 1.00 0.00 H new ATOM 0 HA LYS A 44 5.055 9.218 1.325 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.303 10.386 3.533 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.347 8.998 3.768 1.00 0.00 H new ATOM 0 HG2 LYS A 44 6.242 10.576 2.863 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.120 11.868 3.238 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.949 10.436 5.552 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.586 10.027 5.079 1.00 0.00 H new ATOM 0 HE2 LYS A 44 7.372 12.154 5.426 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.912 12.911 4.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.192 13.304 7.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 4.801 12.369 6.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.216 11.635 7.492 1.00 0.00 H new ATOM 316 N ASN A 45 2.005 8.706 0.785 1.00 0.00 N ATOM 317 CA ASN A 45 0.972 7.711 0.555 1.00 0.00 C ATOM 318 C ASN A 45 1.568 6.429 -0.018 1.00 0.00 C ATOM 319 O ASN A 45 1.243 5.329 0.427 1.00 0.00 O ATOM 320 CB ASN A 45 -0.091 8.262 -0.397 1.00 0.00 C ATOM 321 CG ASN A 45 -1.350 7.417 -0.408 1.00 0.00 C ATOM 322 OD1 ASN A 45 -1.975 7.200 0.630 1.00 0.00 O ATOM 323 ND2 ASN A 45 -1.728 6.934 -1.585 1.00 0.00 N ATOM 0 H ASN A 45 1.832 9.605 0.335 1.00 0.00 H new ATOM 0 HA ASN A 45 0.508 7.477 1.513 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.343 9.281 -0.105 1.00 0.00 H new ATOM 0 HB3 ASN A 45 0.319 8.312 -1.406 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.567 6.358 -1.654 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.180 7.139 -2.420 1.00 0.00 H new ATOM 330 N MET A 46 2.437 6.577 -1.005 1.00 0.00 N ATOM 331 CA MET A 46 3.081 5.429 -1.638 1.00 0.00 C ATOM 332 C MET A 46 3.835 4.598 -0.604 1.00 0.00 C ATOM 333 O MET A 46 3.731 3.371 -0.582 1.00 0.00 O ATOM 334 CB MET A 46 4.029 5.888 -2.738 1.00 0.00 C ATOM 335 CG MET A 46 4.998 6.977 -2.300 1.00 0.00 C ATOM 336 SD MET A 46 6.655 6.346 -1.978 1.00 0.00 S ATOM 337 CE MET A 46 7.621 7.844 -2.139 1.00 0.00 C ATOM 0 H MET A 46 2.715 7.480 -1.388 1.00 0.00 H new ATOM 0 HA MET A 46 2.306 4.806 -2.084 1.00 0.00 H new ATOM 0 HB2 MET A 46 4.599 5.030 -3.095 1.00 0.00 H new ATOM 0 HB3 MET A 46 3.443 6.254 -3.581 1.00 0.00 H new ATOM 0 HG2 MET A 46 5.050 7.744 -3.073 1.00 0.00 H new ATOM 0 HG3 MET A 46 4.615 7.457 -1.399 1.00 0.00 H new ATOM 0 HE1 MET A 46 8.335 7.906 -1.318 1.00 0.00 H new ATOM 0 HE2 MET A 46 8.158 7.830 -3.087 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.959 8.709 -2.110 1.00 0.00 H new ATOM 347 N LYS A 47 4.592 5.274 0.253 1.00 0.00 N ATOM 348 CA LYS A 47 5.361 4.599 1.289 1.00 0.00 C ATOM 349 C LYS A 47 4.441 3.987 2.332 1.00 0.00 C ATOM 350 O LYS A 47 4.818 3.046 3.030 1.00 0.00 O ATOM 351 CB LYS A 47 6.333 5.572 1.949 1.00 0.00 C ATOM 352 CG LYS A 47 7.382 4.889 2.812 1.00 0.00 C ATOM 353 CD LYS A 47 8.600 5.775 3.011 1.00 0.00 C ATOM 354 CE LYS A 47 9.783 4.989 3.563 1.00 0.00 C ATOM 355 NZ LYS A 47 10.498 5.731 4.633 1.00 0.00 N ATOM 0 H LYS A 47 4.689 6.289 0.250 1.00 0.00 H new ATOM 0 HA LYS A 47 5.931 3.797 0.821 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.833 6.154 1.175 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.770 6.275 2.563 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.951 4.638 3.781 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.685 3.952 2.346 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.878 6.231 2.061 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.352 6.587 3.694 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.432 4.035 3.957 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.477 4.763 2.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.295 5.159 4.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.857 6.630 4.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.844 5.924 5.418 1.00 0.00 H new ATOM 369 N ASN A 48 3.232 4.528 2.445 1.00 0.00 N ATOM 370 CA ASN A 48 2.262 4.032 3.412 1.00 0.00 C ATOM 371 C ASN A 48 1.727 2.668 2.990 1.00 0.00 C ATOM 372 O ASN A 48 1.576 1.766 3.815 1.00 0.00 O ATOM 373 CB ASN A 48 1.106 5.021 3.566 1.00 0.00 C ATOM 374 CG ASN A 48 1.432 6.142 4.530 1.00 0.00 C ATOM 375 OD1 ASN A 48 2.180 5.956 5.494 1.00 0.00 O ATOM 376 ND2 ASN A 48 0.873 7.319 4.277 1.00 0.00 N ATOM 0 H ASN A 48 2.902 5.309 1.879 1.00 0.00 H new ATOM 0 HA ASN A 48 2.766 3.926 4.372 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.860 5.443 2.592 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.221 4.490 3.916 1.00 0.00 H new ATOM 0 HD21 ASN A 48 1.056 8.113 4.891 1.00 0.00 H new ATOM 0 HD22 ASN A 48 0.261 7.430 3.469 1.00 0.00 H new ATOM 383 N VAL A 49 1.443 2.520 1.699 1.00 0.00 N ATOM 384 CA VAL A 49 0.930 1.262 1.172 1.00 0.00 C ATOM 385 C VAL A 49 1.992 0.172 1.236 1.00 0.00 C ATOM 386 O VAL A 49 1.738 -0.925 1.731 1.00 0.00 O ATOM 387 CB VAL A 49 0.449 1.407 -0.282 1.00 0.00 C ATOM 388 CG1 VAL A 49 -0.247 0.135 -0.740 1.00 0.00 C ATOM 389 CG2 VAL A 49 -0.473 2.609 -0.422 1.00 0.00 C ATOM 0 H VAL A 49 1.560 3.255 1.001 1.00 0.00 H new ATOM 0 HA VAL A 49 0.081 0.983 1.796 1.00 0.00 H new ATOM 0 HB VAL A 49 1.318 1.570 -0.920 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.581 0.254 -1.771 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.448 -0.702 -0.678 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.107 -0.060 -0.100 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.803 2.696 -1.457 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.340 2.480 0.226 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.063 3.514 -0.135 1.00 0.00 H new ATOM 399 N ILE A 50 3.184 0.481 0.735 1.00 0.00 N ATOM 400 CA ILE A 50 4.282 -0.477 0.743 1.00 0.00 C ATOM 401 C ILE A 50 4.609 -0.912 2.168 1.00 0.00 C ATOM 402 O ILE A 50 5.059 -2.034 2.398 1.00 0.00 O ATOM 403 CB ILE A 50 5.545 0.109 0.088 1.00 0.00 C ATOM 404 CG1 ILE A 50 6.643 -0.955 -0.002 1.00 0.00 C ATOM 405 CG2 ILE A 50 6.036 1.320 0.866 1.00 0.00 C ATOM 406 CD1 ILE A 50 7.596 -0.745 -1.151 1.00 0.00 C ATOM 0 H ILE A 50 3.413 1.384 0.320 1.00 0.00 H new ATOM 0 HA ILE A 50 3.958 -1.342 0.165 1.00 0.00 H new ATOM 0 HB ILE A 50 5.293 0.430 -0.923 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.208 -0.962 0.930 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.179 -1.936 -0.101 1.00 0.00 H new ATOM 0 HG21 ILE A 50 6.930 1.721 0.388 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.258 2.083 0.880 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.272 1.024 1.888 1.00 0.00 H new ATOM 0 HD11 ILE A 50 8.346 -1.536 -1.151 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.044 -0.768 -2.091 1.00 0.00 H new ATOM 0 HD13 ILE A 50 8.089 0.221 -1.043 1.00 0.00 H new ATOM 418 N ASN A 51 4.375 -0.016 3.122 1.00 0.00 N ATOM 419 CA ASN A 51 4.637 -0.306 4.526 1.00 0.00 C ATOM 420 C ASN A 51 3.560 -1.220 5.097 1.00 0.00 C ATOM 421 O ASN A 51 3.861 -2.211 5.761 1.00 0.00 O ATOM 422 CB ASN A 51 4.703 0.992 5.330 1.00 0.00 C ATOM 423 CG ASN A 51 5.264 0.782 6.724 1.00 0.00 C ATOM 424 OD1 ASN A 51 5.854 -0.258 7.018 1.00 0.00 O ATOM 425 ND2 ASN A 51 5.082 1.772 7.590 1.00 0.00 N ATOM 0 H ASN A 51 4.004 0.918 2.947 1.00 0.00 H new ATOM 0 HA ASN A 51 5.597 -0.817 4.597 1.00 0.00 H new ATOM 0 HB2 ASN A 51 5.321 1.715 4.798 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.704 1.421 5.404 1.00 0.00 H new ATOM 0 HD21 ASN A 51 5.437 1.688 8.542 1.00 0.00 H new ATOM 0 HD22 ASN A 51 4.587 2.616 7.303 1.00 0.00 H new ATOM 432 N ASN A 52 2.302 -0.883 4.828 1.00 0.00 N ATOM 433 CA ASN A 52 1.179 -1.679 5.311 1.00 0.00 C ATOM 434 C ASN A 52 1.119 -3.016 4.583 1.00 0.00 C ATOM 435 O ASN A 52 0.951 -4.066 5.202 1.00 0.00 O ATOM 436 CB ASN A 52 -0.136 -0.917 5.124 1.00 0.00 C ATOM 437 CG ASN A 52 -0.737 -0.468 6.442 1.00 0.00 C ATOM 438 OD1 ASN A 52 -0.543 0.670 6.871 1.00 0.00 O ATOM 439 ND2 ASN A 52 -1.472 -1.362 7.092 1.00 0.00 N ATOM 0 H ASN A 52 2.035 -0.066 4.279 1.00 0.00 H new ATOM 0 HA ASN A 52 1.326 -1.868 6.374 1.00 0.00 H new ATOM 0 HB2 ASN A 52 0.039 -0.046 4.492 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -0.850 -1.553 4.600 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.902 -1.117 7.984 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.607 -2.294 6.700 1.00 0.00 H new ATOM 446 N ALA A 53 1.265 -2.968 3.263 1.00 0.00 N ATOM 447 CA ALA A 53 1.236 -4.176 2.449 1.00 0.00 C ATOM 448 C ALA A 53 2.335 -5.142 2.876 1.00 0.00 C ATOM 449 O ALA A 53 2.183 -6.360 2.767 1.00 0.00 O ATOM 450 CB ALA A 53 1.382 -3.821 0.976 1.00 0.00 C ATOM 0 H ALA A 53 1.404 -2.106 2.735 1.00 0.00 H new ATOM 0 HA ALA A 53 0.275 -4.668 2.597 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.359 -4.732 0.378 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.562 -3.169 0.676 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.330 -3.307 0.818 1.00 0.00 H new ATOM 456 N LYS A 54 3.438 -4.590 3.373 1.00 0.00 N ATOM 457 CA LYS A 54 4.562 -5.401 3.826 1.00 0.00 C ATOM 458 C LYS A 54 4.280 -5.985 5.205 1.00 0.00 C ATOM 459 O LYS A 54 4.474 -7.177 5.437 1.00 0.00 O ATOM 460 CB LYS A 54 5.844 -4.566 3.862 1.00 0.00 C ATOM 461 CG LYS A 54 7.107 -5.397 4.026 1.00 0.00 C ATOM 462 CD LYS A 54 7.610 -5.369 5.461 1.00 0.00 C ATOM 463 CE LYS A 54 8.814 -6.277 5.647 1.00 0.00 C ATOM 464 NZ LYS A 54 10.009 -5.772 4.917 1.00 0.00 N ATOM 0 H LYS A 54 3.577 -3.584 3.472 1.00 0.00 H new ATOM 0 HA LYS A 54 4.697 -6.221 3.121 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.917 -3.987 2.941 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.780 -3.852 4.683 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.907 -6.427 3.729 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.882 -5.018 3.360 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.877 -4.348 5.734 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.811 -5.680 6.134 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.046 -6.360 6.709 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.570 -7.279 5.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.830 -6.372 5.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.827 -5.797 3.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.207 -4.794 5.210 1.00 0.00 H new ATOM 478 N LYS A 55 3.815 -5.135 6.116 1.00 0.00 N ATOM 479 CA LYS A 55 3.499 -5.570 7.472 1.00 0.00 C ATOM 480 C LYS A 55 2.445 -6.671 7.446 1.00 0.00 C ATOM 481 O LYS A 55 2.496 -7.615 8.234 1.00 0.00 O ATOM 482 CB LYS A 55 3.003 -4.388 8.308 1.00 0.00 C ATOM 483 CG LYS A 55 4.084 -3.760 9.166 1.00 0.00 C ATOM 484 CD LYS A 55 3.655 -3.662 10.619 1.00 0.00 C ATOM 485 CE LYS A 55 4.191 -4.825 11.440 1.00 0.00 C ATOM 486 NZ LYS A 55 5.558 -4.561 11.955 1.00 0.00 N ATOM 0 H LYS A 55 3.649 -4.144 5.940 1.00 0.00 H new ATOM 0 HA LYS A 55 4.407 -5.966 7.927 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.592 -3.629 7.642 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.189 -4.723 8.951 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.996 -4.352 9.094 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.319 -2.765 8.787 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.011 -2.723 11.042 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.567 -3.645 10.677 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.520 -5.017 12.277 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.203 -5.726 10.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.884 -5.379 12.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.205 -4.403 11.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.543 -3.716 12.561 1.00 0.00 H new ATOM 500 N ASN A 56 1.493 -6.544 6.527 1.00 0.00 N ATOM 501 CA ASN A 56 0.428 -7.529 6.388 1.00 0.00 C ATOM 502 C ASN A 56 0.991 -8.862 5.909 1.00 0.00 C ATOM 503 O ASN A 56 0.835 -9.885 6.575 1.00 0.00 O ATOM 504 CB ASN A 56 -0.634 -7.029 5.408 1.00 0.00 C ATOM 505 CG ASN A 56 -1.196 -5.677 5.802 1.00 0.00 C ATOM 506 OD1 ASN A 56 -1.353 -5.379 6.986 1.00 0.00 O ATOM 507 ND2 ASN A 56 -1.503 -4.852 4.808 1.00 0.00 N ATOM 0 H ASN A 56 1.438 -5.768 5.867 1.00 0.00 H new ATOM 0 HA ASN A 56 -0.033 -7.675 7.365 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.200 -6.962 4.410 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -1.445 -7.755 5.355 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -1.886 -3.929 5.011 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.356 -5.142 3.841 1.00 0.00 H new ATOM 514 N LEU A 57 1.653 -8.837 4.751 1.00 0.00 N ATOM 515 CA LEU A 57 2.252 -10.040 4.171 1.00 0.00 C ATOM 516 C LEU A 57 2.966 -10.863 5.237 1.00 0.00 C ATOM 517 O LEU A 57 2.685 -12.050 5.422 1.00 0.00 O ATOM 518 CB LEU A 57 3.249 -9.658 3.078 1.00 0.00 C ATOM 519 CG LEU A 57 2.632 -9.358 1.710 1.00 0.00 C ATOM 520 CD1 LEU A 57 3.324 -8.166 1.064 1.00 0.00 C ATOM 521 CD2 LEU A 57 2.718 -10.580 0.807 1.00 0.00 C ATOM 0 H LEU A 57 1.788 -7.993 4.194 1.00 0.00 H new ATOM 0 HA LEU A 57 1.449 -10.640 3.742 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.807 -8.781 3.407 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.968 -10.469 2.965 1.00 0.00 H new ATOM 0 HG LEU A 57 1.580 -9.110 1.852 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.873 -7.966 0.092 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.212 -7.290 1.703 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.383 -8.387 0.934 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.275 -10.349 -0.161 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.763 -10.859 0.670 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.178 -11.409 1.264 1.00 0.00 H new ATOM 533 N GLU A 58 3.893 -10.218 5.932 1.00 0.00 N ATOM 534 CA GLU A 58 4.659 -10.876 6.982 1.00 0.00 C ATOM 535 C GLU A 58 3.741 -11.496 8.026 1.00 0.00 C ATOM 536 O GLU A 58 4.021 -12.569 8.551 1.00 0.00 O ATOM 537 CB GLU A 58 5.611 -9.881 7.649 1.00 0.00 C ATOM 538 CG GLU A 58 6.685 -9.348 6.715 1.00 0.00 C ATOM 539 CD GLU A 58 8.037 -9.225 7.390 1.00 0.00 C ATOM 540 OE1 GLU A 58 8.099 -8.643 8.493 1.00 0.00 O ATOM 541 OE2 GLU A 58 9.034 -9.710 6.816 1.00 0.00 O ATOM 0 H GLU A 58 4.133 -9.237 5.787 1.00 0.00 H new ATOM 0 HA GLU A 58 5.241 -11.674 6.521 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.033 -9.044 8.040 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.089 -10.364 8.501 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.772 -10.009 5.853 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.381 -8.371 6.338 1.00 0.00 H new ATOM 548 N LYS A 59 2.641 -10.820 8.322 1.00 0.00 N ATOM 549 CA LYS A 59 1.689 -11.318 9.305 1.00 0.00 C ATOM 550 C LYS A 59 1.121 -12.671 8.884 1.00 0.00 C ATOM 551 O LYS A 59 0.699 -13.465 9.724 1.00 0.00 O ATOM 552 CB LYS A 59 0.552 -10.314 9.497 1.00 0.00 C ATOM 553 CG LYS A 59 -0.021 -10.308 10.905 1.00 0.00 C ATOM 554 CD LYS A 59 0.078 -8.931 11.545 1.00 0.00 C ATOM 555 CE LYS A 59 -0.860 -7.940 10.878 1.00 0.00 C ATOM 556 NZ LYS A 59 -2.168 -7.852 11.586 1.00 0.00 N ATOM 0 H LYS A 59 2.386 -9.928 7.898 1.00 0.00 H new ATOM 0 HA LYS A 59 2.218 -11.447 10.249 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.916 -9.315 9.257 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.246 -10.541 8.790 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.064 -10.622 10.875 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.512 -11.034 11.518 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.162 -9.003 12.606 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.103 -8.568 11.474 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.392 -6.956 10.855 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.027 -8.238 9.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.780 -7.166 11.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.626 -8.786 11.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.012 -7.543 12.567 1.00 0.00 H new ATOM 570 N TYR A 60 1.105 -12.929 7.578 1.00 0.00 N ATOM 571 CA TYR A 60 0.572 -14.182 7.054 1.00 0.00 C ATOM 572 C TYR A 60 1.590 -15.317 7.122 1.00 0.00 C ATOM 573 O TYR A 60 1.285 -16.400 7.621 1.00 0.00 O ATOM 574 CB TYR A 60 0.106 -14.000 5.609 1.00 0.00 C ATOM 575 CG TYR A 60 -0.990 -12.974 5.451 1.00 0.00 C ATOM 576 CD1 TYR A 60 -2.326 -13.327 5.580 1.00 0.00 C ATOM 577 CD2 TYR A 60 -0.684 -11.650 5.173 1.00 0.00 C ATOM 578 CE1 TYR A 60 -3.329 -12.386 5.435 1.00 0.00 C ATOM 579 CE2 TYR A 60 -1.680 -10.702 5.026 1.00 0.00 C ATOM 580 CZ TYR A 60 -3.001 -11.077 5.157 1.00 0.00 C ATOM 581 OH TYR A 60 -3.997 -10.138 5.011 1.00 0.00 O ATOM 0 H TYR A 60 1.454 -12.288 6.866 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.275 -14.454 7.684 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.958 -13.706 4.996 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -0.247 -14.958 5.227 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -2.586 -14.352 5.797 1.00 0.00 H new ATOM 0 HD2 TYR A 60 0.350 -11.354 5.070 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -4.364 -12.676 5.539 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -1.425 -9.675 4.810 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.642 -10.446 4.340 1.00 0.00 H new ATOM 591 N PHE A 61 2.792 -15.084 6.601 1.00 0.00 N ATOM 592 CA PHE A 61 3.820 -16.125 6.601 1.00 0.00 C ATOM 593 C PHE A 61 4.634 -16.122 7.891 1.00 0.00 C ATOM 594 O PHE A 61 5.131 -17.162 8.320 1.00 0.00 O ATOM 595 CB PHE A 61 4.748 -15.990 5.387 1.00 0.00 C ATOM 596 CG PHE A 61 5.620 -14.764 5.400 1.00 0.00 C ATOM 597 CD1 PHE A 61 6.665 -14.648 6.303 1.00 0.00 C ATOM 598 CD2 PHE A 61 5.402 -13.735 4.497 1.00 0.00 C ATOM 599 CE1 PHE A 61 7.475 -13.528 6.307 1.00 0.00 C ATOM 600 CE2 PHE A 61 6.209 -12.614 4.495 1.00 0.00 C ATOM 601 CZ PHE A 61 7.247 -12.509 5.402 1.00 0.00 C ATOM 0 H PHE A 61 3.077 -14.200 6.180 1.00 0.00 H new ATOM 0 HA PHE A 61 3.300 -17.081 6.536 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.385 -16.873 5.333 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.141 -15.979 4.482 1.00 0.00 H new ATOM 0 HD1 PHE A 61 6.849 -15.442 7.012 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.592 -13.811 3.787 1.00 0.00 H new ATOM 0 HE1 PHE A 61 8.285 -13.449 7.017 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.029 -11.820 3.785 1.00 0.00 H new ATOM 0 HZ PHE A 61 7.878 -11.633 5.403 1.00 0.00 H new ATOM 611 N LYS A 62 4.782 -14.957 8.500 1.00 0.00 N ATOM 612 CA LYS A 62 5.550 -14.840 9.735 1.00 0.00 C ATOM 613 C LYS A 62 4.684 -15.099 10.967 1.00 0.00 C ATOM 614 O LYS A 62 5.152 -15.678 11.948 1.00 0.00 O ATOM 615 CB LYS A 62 6.199 -13.458 9.836 1.00 0.00 C ATOM 616 CG LYS A 62 7.574 -13.477 10.483 1.00 0.00 C ATOM 617 CD LYS A 62 8.110 -12.070 10.696 1.00 0.00 C ATOM 618 CE LYS A 62 9.110 -12.023 11.839 1.00 0.00 C ATOM 619 NZ LYS A 62 9.798 -10.704 11.922 1.00 0.00 N ATOM 0 H LYS A 62 4.383 -14.080 8.163 1.00 0.00 H new ATOM 0 HA LYS A 62 6.329 -15.601 9.705 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.283 -13.031 8.836 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.546 -12.800 10.410 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.519 -13.995 11.440 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.265 -14.039 9.855 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.585 -11.718 9.780 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.283 -11.392 10.907 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.596 -12.224 12.779 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.851 -12.811 11.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.472 -10.713 12.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.309 -10.523 11.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.094 -9.954 12.075 1.00 0.00 H new ATOM 633 N GLU A 63 3.428 -14.663 10.922 1.00 0.00 N ATOM 634 CA GLU A 63 2.523 -14.851 12.052 1.00 0.00 C ATOM 635 C GLU A 63 1.635 -16.077 11.862 1.00 0.00 C ATOM 636 O GLU A 63 1.208 -16.699 12.834 1.00 0.00 O ATOM 637 CB GLU A 63 1.658 -13.606 12.255 1.00 0.00 C ATOM 638 CG GLU A 63 1.603 -13.132 13.698 1.00 0.00 C ATOM 639 CD GLU A 63 2.917 -12.535 14.166 1.00 0.00 C ATOM 640 OE1 GLU A 63 3.769 -13.297 14.668 1.00 0.00 O ATOM 641 OE2 GLU A 63 3.090 -11.306 14.030 1.00 0.00 O ATOM 0 H GLU A 63 3.016 -14.181 10.123 1.00 0.00 H new ATOM 0 HA GLU A 63 3.135 -15.012 12.940 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.044 -12.800 11.631 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.645 -13.818 11.912 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.813 -12.389 13.803 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.339 -13.971 14.342 1.00 0.00 H new ATOM 648 N HIS A 64 1.356 -16.422 10.608 1.00 0.00 N ATOM 649 CA HIS A 64 0.511 -17.575 10.310 1.00 0.00 C ATOM 650 C HIS A 64 1.302 -18.694 9.636 1.00 0.00 C ATOM 651 O HIS A 64 0.725 -19.672 9.163 1.00 0.00 O ATOM 652 CB HIS A 64 -0.670 -17.158 9.431 1.00 0.00 C ATOM 653 CG HIS A 64 -1.957 -17.023 10.184 1.00 0.00 C ATOM 654 ND1 HIS A 64 -2.018 -16.902 11.557 1.00 0.00 N ATOM 655 CD2 HIS A 64 -3.240 -16.988 9.749 1.00 0.00 C ATOM 656 CE1 HIS A 64 -3.280 -16.800 11.934 1.00 0.00 C ATOM 657 NE2 HIS A 64 -4.041 -16.849 10.855 1.00 0.00 N ATOM 0 H HIS A 64 1.700 -15.924 9.787 1.00 0.00 H new ATOM 0 HA HIS A 64 0.132 -17.959 11.257 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -0.438 -16.207 8.951 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -0.799 -17.893 8.636 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -3.571 -17.057 8.723 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -3.630 -16.695 12.950 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -5.059 -16.793 10.845 1.00 0.00 H new ATOM 666 N PHE A 65 2.623 -18.547 9.607 1.00 0.00 N ATOM 667 CA PHE A 65 3.501 -19.548 9.001 1.00 0.00 C ATOM 668 C PHE A 65 2.975 -20.009 7.642 1.00 0.00 C ATOM 669 O PHE A 65 2.097 -20.869 7.562 1.00 0.00 O ATOM 670 CB PHE A 65 3.658 -20.746 9.937 1.00 0.00 C ATOM 671 CG PHE A 65 5.083 -21.192 10.105 1.00 0.00 C ATOM 672 CD1 PHE A 65 5.789 -21.716 9.036 1.00 0.00 C ATOM 673 CD2 PHE A 65 5.715 -21.084 11.334 1.00 0.00 C ATOM 674 CE1 PHE A 65 7.100 -22.127 9.187 1.00 0.00 C ATOM 675 CE2 PHE A 65 7.025 -21.493 11.491 1.00 0.00 C ATOM 676 CZ PHE A 65 7.718 -22.014 10.417 1.00 0.00 C ATOM 0 H PHE A 65 3.113 -17.742 9.997 1.00 0.00 H new ATOM 0 HA PHE A 65 4.474 -19.084 8.842 1.00 0.00 H new ATOM 0 HB2 PHE A 65 3.248 -20.490 10.914 1.00 0.00 H new ATOM 0 HB3 PHE A 65 3.068 -21.578 9.552 1.00 0.00 H new ATOM 0 HD1 PHE A 65 5.310 -21.805 8.072 1.00 0.00 H new ATOM 0 HD2 PHE A 65 5.178 -20.676 12.177 1.00 0.00 H new ATOM 0 HE1 PHE A 65 7.640 -22.535 8.345 1.00 0.00 H new ATOM 0 HE2 PHE A 65 7.507 -21.405 12.454 1.00 0.00 H new ATOM 0 HZ PHE A 65 8.743 -22.333 10.538 1.00 0.00 H new ATOM 686 N LYS A 66 3.522 -19.433 6.575 1.00 0.00 N ATOM 687 CA LYS A 66 3.112 -19.781 5.218 1.00 0.00 C ATOM 688 C LYS A 66 1.644 -19.433 4.984 1.00 0.00 C ATOM 689 O LYS A 66 0.795 -19.669 5.844 1.00 0.00 O ATOM 690 CB LYS A 66 3.344 -21.270 4.956 1.00 0.00 C ATOM 691 CG LYS A 66 4.740 -21.585 4.438 1.00 0.00 C ATOM 692 CD LYS A 66 4.691 -22.309 3.101 1.00 0.00 C ATOM 693 CE LYS A 66 4.911 -23.803 3.268 1.00 0.00 C ATOM 694 NZ LYS A 66 6.347 -24.173 3.128 1.00 0.00 N ATOM 0 H LYS A 66 4.252 -18.722 6.624 1.00 0.00 H new ATOM 0 HA LYS A 66 3.719 -19.199 4.524 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.174 -21.824 5.879 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.609 -21.622 4.233 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.306 -20.660 4.331 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.269 -22.200 5.166 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.726 -22.133 2.626 1.00 0.00 H new ATOM 0 HD3 LYS A 66 5.452 -21.900 2.437 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.550 -24.116 4.248 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.323 -24.342 2.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.454 -25.200 3.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.686 -23.898 2.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.905 -23.679 3.854 1.00 0.00 H new ATOM 708 N GLU A 67 1.352 -18.870 3.816 1.00 0.00 N ATOM 709 CA GLU A 67 -0.014 -18.490 3.471 1.00 0.00 C ATOM 710 C GLU A 67 -0.150 -18.241 1.972 1.00 0.00 C ATOM 711 O GLU A 67 0.843 -18.220 1.244 1.00 0.00 O ATOM 712 CB GLU A 67 -0.428 -17.239 4.250 1.00 0.00 C ATOM 713 CG GLU A 67 -1.841 -17.307 4.807 1.00 0.00 C ATOM 714 CD GLU A 67 -1.976 -18.308 5.937 1.00 0.00 C ATOM 715 OE1 GLU A 67 -1.697 -19.505 5.708 1.00 0.00 O ATOM 716 OE2 GLU A 67 -2.362 -17.898 7.051 1.00 0.00 O ATOM 0 H GLU A 67 2.042 -18.667 3.093 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.674 -19.314 3.743 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.271 -17.086 5.073 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.346 -16.371 3.596 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.134 -16.320 5.164 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.531 -17.574 4.006 1.00 0.00 H new ATOM 723 N PHE A 68 -1.384 -18.054 1.517 1.00 0.00 N ATOM 724 CA PHE A 68 -1.652 -17.807 0.105 1.00 0.00 C ATOM 725 C PHE A 68 -2.280 -16.432 -0.099 1.00 0.00 C ATOM 726 O PHE A 68 -3.501 -16.283 -0.037 1.00 0.00 O ATOM 727 CB PHE A 68 -2.577 -18.890 -0.455 1.00 0.00 C ATOM 728 CG PHE A 68 -1.945 -20.251 -0.516 1.00 0.00 C ATOM 729 CD1 PHE A 68 -0.744 -20.443 -1.180 1.00 0.00 C ATOM 730 CD2 PHE A 68 -2.553 -21.338 0.090 1.00 0.00 C ATOM 731 CE1 PHE A 68 -0.162 -21.696 -1.237 1.00 0.00 C ATOM 732 CE2 PHE A 68 -1.976 -22.592 0.036 1.00 0.00 C ATOM 733 CZ PHE A 68 -0.779 -22.771 -0.628 1.00 0.00 C ATOM 0 H PHE A 68 -2.216 -18.069 2.107 1.00 0.00 H new ATOM 0 HA PHE A 68 -0.702 -17.835 -0.430 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.474 -18.943 0.161 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -2.895 -18.601 -1.457 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.258 -19.605 -1.658 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -3.489 -21.204 0.611 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.774 -21.834 -1.757 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.461 -23.431 0.513 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.326 -23.750 -0.671 1.00 0.00 H new ATOM 743 N ASP A 69 -1.442 -15.430 -0.344 1.00 0.00 N ATOM 744 CA ASP A 69 -1.920 -14.068 -0.559 1.00 0.00 C ATOM 745 C ASP A 69 -0.762 -13.116 -0.845 1.00 0.00 C ATOM 746 O ASP A 69 0.344 -13.298 -0.337 1.00 0.00 O ATOM 747 CB ASP A 69 -2.706 -13.582 0.662 1.00 0.00 C ATOM 748 CG ASP A 69 -1.899 -13.676 1.942 1.00 0.00 C ATOM 749 OD1 ASP A 69 -0.961 -12.869 2.114 1.00 0.00 O ATOM 750 OD2 ASP A 69 -2.206 -14.556 2.773 1.00 0.00 O ATOM 0 H ASP A 69 -0.429 -15.535 -0.399 1.00 0.00 H new ATOM 0 HA ASP A 69 -2.578 -14.077 -1.428 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -3.014 -12.548 0.505 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -3.616 -14.174 0.765 1.00 0.00 H new ATOM 755 N LYS A 70 -1.028 -12.100 -1.659 1.00 0.00 N ATOM 756 CA LYS A 70 -0.012 -11.114 -2.016 1.00 0.00 C ATOM 757 C LYS A 70 -0.627 -9.722 -2.122 1.00 0.00 C ATOM 758 O LYS A 70 -1.839 -9.579 -2.290 1.00 0.00 O ATOM 759 CB LYS A 70 0.654 -11.493 -3.340 1.00 0.00 C ATOM 760 CG LYS A 70 1.459 -12.781 -3.270 1.00 0.00 C ATOM 761 CD LYS A 70 1.625 -13.410 -4.644 1.00 0.00 C ATOM 762 CE LYS A 70 0.433 -14.280 -5.007 1.00 0.00 C ATOM 763 NZ LYS A 70 -0.732 -13.467 -5.454 1.00 0.00 N ATOM 0 H LYS A 70 -1.940 -11.937 -2.085 1.00 0.00 H new ATOM 0 HA LYS A 70 0.743 -11.102 -1.230 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -0.114 -11.596 -4.107 1.00 0.00 H new ATOM 0 HB3 LYS A 70 1.310 -10.681 -3.652 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.440 -12.575 -2.842 1.00 0.00 H new ATOM 0 HG3 LYS A 70 0.962 -13.486 -2.604 1.00 0.00 H new ATOM 0 HD2 LYS A 70 1.746 -12.626 -5.392 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.534 -14.011 -4.663 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.717 -14.973 -5.799 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.146 -14.882 -4.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.257 -13.986 -6.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.358 -13.283 -4.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.396 -12.563 -5.843 1.00 0.00 H new ATOM 777 N ILE A 71 0.209 -8.693 -2.021 1.00 0.00 N ATOM 778 CA ILE A 71 -0.272 -7.320 -2.107 1.00 0.00 C ATOM 779 C ILE A 71 0.614 -6.464 -2.998 1.00 0.00 C ATOM 780 O ILE A 71 1.842 -6.521 -2.924 1.00 0.00 O ATOM 781 CB ILE A 71 -0.372 -6.666 -0.718 1.00 0.00 C ATOM 782 CG1 ILE A 71 -1.172 -7.563 0.220 1.00 0.00 C ATOM 783 CG2 ILE A 71 -1.019 -5.293 -0.822 1.00 0.00 C ATOM 784 CD1 ILE A 71 -0.998 -7.220 1.684 1.00 0.00 C ATOM 0 H ILE A 71 1.215 -8.783 -1.881 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.267 -7.374 -2.548 1.00 0.00 H new ATOM 0 HB ILE A 71 0.633 -6.540 -0.314 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.229 -7.493 -0.038 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.873 -8.599 0.061 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.082 -4.844 0.169 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.418 -4.656 -1.471 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.021 -5.394 -1.239 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.597 -7.900 2.291 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.052 -7.318 1.958 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.324 -6.195 1.859 1.00 0.00 H new ATOM 796 N SER A 72 -0.030 -5.668 -3.836 1.00 0.00 N ATOM 797 CA SER A 72 0.665 -4.779 -4.755 1.00 0.00 C ATOM 798 C SER A 72 -0.032 -3.424 -4.803 1.00 0.00 C ATOM 799 O SER A 72 -1.147 -3.277 -4.302 1.00 0.00 O ATOM 800 CB SER A 72 0.710 -5.403 -6.149 1.00 0.00 C ATOM 801 OG SER A 72 1.927 -5.100 -6.805 1.00 0.00 O ATOM 0 H SER A 72 -1.047 -5.619 -3.899 1.00 0.00 H new ATOM 0 HA SER A 72 1.686 -4.632 -4.403 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.595 -6.484 -6.071 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.127 -5.036 -6.742 1.00 0.00 H new ATOM 0 HG SER A 72 1.931 -5.512 -7.694 1.00 0.00 H new ATOM 807 N TYR A 73 0.614 -2.436 -5.403 1.00 0.00 N ATOM 808 CA TYR A 73 0.028 -1.105 -5.501 1.00 0.00 C ATOM 809 C TYR A 73 0.680 -0.282 -6.613 1.00 0.00 C ATOM 810 O TYR A 73 1.791 -0.571 -7.043 1.00 0.00 O ATOM 811 CB TYR A 73 0.137 -0.371 -4.162 1.00 0.00 C ATOM 812 CG TYR A 73 1.506 0.199 -3.863 1.00 0.00 C ATOM 813 CD1 TYR A 73 2.633 -0.614 -3.819 1.00 0.00 C ATOM 814 CD2 TYR A 73 1.669 1.557 -3.626 1.00 0.00 C ATOM 815 CE1 TYR A 73 3.881 -0.090 -3.547 1.00 0.00 C ATOM 816 CE2 TYR A 73 2.914 2.089 -3.354 1.00 0.00 C ATOM 817 CZ TYR A 73 4.015 1.261 -3.314 1.00 0.00 C ATOM 818 OH TYR A 73 5.259 1.788 -3.045 1.00 0.00 O ATOM 0 H TYR A 73 1.537 -2.527 -5.827 1.00 0.00 H new ATOM 0 HA TYR A 73 -1.025 -1.227 -5.753 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.590 0.441 -4.148 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -0.138 -1.059 -3.363 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.530 -1.674 -4.001 1.00 0.00 H new ATOM 0 HD2 TYR A 73 0.808 2.208 -3.655 1.00 0.00 H new ATOM 0 HE1 TYR A 73 4.747 -0.735 -3.517 1.00 0.00 H new ATOM 0 HE2 TYR A 73 3.024 3.148 -3.174 1.00 0.00 H new ATOM 0 HH TYR A 73 5.181 2.755 -2.905 1.00 0.00 H new ATOM 828 N ASP A 74 -0.037 0.745 -7.060 1.00 0.00 N ATOM 829 CA ASP A 74 0.463 1.620 -8.119 1.00 0.00 C ATOM 830 C ASP A 74 -0.127 3.021 -7.975 1.00 0.00 C ATOM 831 O ASP A 74 -1.205 3.200 -7.414 1.00 0.00 O ATOM 832 CB ASP A 74 0.114 1.042 -9.491 1.00 0.00 C ATOM 833 CG ASP A 74 1.073 1.512 -10.573 1.00 0.00 C ATOM 834 OD1 ASP A 74 2.291 1.292 -10.421 1.00 0.00 O ATOM 835 OD2 ASP A 74 0.597 2.097 -11.567 1.00 0.00 O ATOM 0 H ASP A 74 -0.962 0.992 -6.708 1.00 0.00 H new ATOM 0 HA ASP A 74 1.547 1.687 -8.030 1.00 0.00 H new ATOM 0 HB2 ASP A 74 0.132 -0.047 -9.440 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -0.902 1.332 -9.758 1.00 0.00 H new ATOM 840 N ILE A 75 0.596 4.012 -8.490 1.00 0.00 N ATOM 841 CA ILE A 75 0.151 5.400 -8.423 1.00 0.00 C ATOM 842 C ILE A 75 -0.398 5.870 -9.762 1.00 0.00 C ATOM 843 O ILE A 75 0.251 5.702 -10.800 1.00 0.00 O ATOM 844 CB ILE A 75 1.290 6.338 -7.980 1.00 0.00 C ATOM 845 CG1 ILE A 75 1.954 5.811 -6.707 1.00 0.00 C ATOM 846 CG2 ILE A 75 0.763 7.749 -7.763 1.00 0.00 C ATOM 847 CD1 ILE A 75 3.443 6.038 -6.658 1.00 0.00 C ATOM 0 H ILE A 75 1.492 3.879 -8.958 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.645 5.439 -7.679 1.00 0.00 H new ATOM 0 HB ILE A 75 2.040 6.368 -8.771 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.494 6.291 -5.843 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.756 4.743 -6.621 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.581 8.399 -7.450 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.336 8.125 -8.693 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.006 7.736 -6.990 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.842 5.637 -5.726 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.916 5.534 -7.501 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.650 7.107 -6.711 1.00 0.00 H new ATOM 859 N SER A 76 -1.583 6.466 -9.742 1.00 0.00 N ATOM 860 CA SER A 76 -2.212 6.964 -10.958 1.00 0.00 C ATOM 861 C SER A 76 -1.889 8.435 -11.164 1.00 0.00 C ATOM 862 O SER A 76 -2.416 9.306 -10.466 1.00 0.00 O ATOM 863 CB SER A 76 -3.721 6.754 -10.896 1.00 0.00 C ATOM 864 OG SER A 76 -4.108 5.580 -11.589 1.00 0.00 O ATOM 0 H SER A 76 -2.129 6.617 -8.894 1.00 0.00 H new ATOM 0 HA SER A 76 -1.816 6.405 -11.806 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.038 6.685 -9.855 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.228 7.617 -11.327 1.00 0.00 H new ATOM 0 HG SER A 76 -5.080 5.471 -11.530 1.00 0.00 H new ATOM 870 N THR A 77 -1.024 8.715 -12.134 1.00 0.00 N ATOM 871 CA THR A 77 -0.633 10.094 -12.442 1.00 0.00 C ATOM 872 C THR A 77 0.124 10.710 -11.267 1.00 0.00 C ATOM 873 O THR A 77 -0.204 10.477 -10.112 1.00 0.00 O ATOM 874 CB THR A 77 -1.861 10.939 -12.773 1.00 0.00 C ATOM 875 OG1 THR A 77 -2.979 10.117 -13.067 1.00 0.00 O ATOM 876 CG2 THR A 77 -1.650 11.858 -13.950 1.00 0.00 C ATOM 0 H THR A 77 -0.579 8.010 -12.721 1.00 0.00 H new ATOM 0 HA THR A 77 0.023 10.076 -13.312 1.00 0.00 H new ATOM 0 HB THR A 77 -2.041 11.543 -11.884 1.00 0.00 H new ATOM 0 HG1 THR A 77 -3.754 10.680 -13.274 1.00 0.00 H new ATOM 0 HG21 THR A 77 -2.560 12.430 -14.133 1.00 0.00 H new ATOM 0 HG22 THR A 77 -0.829 12.542 -13.735 1.00 0.00 H new ATOM 0 HG23 THR A 77 -1.409 11.268 -14.834 1.00 0.00 H new ATOM 884 N PRO A 78 1.168 11.518 -11.559 1.00 0.00 N ATOM 885 CA PRO A 78 1.973 12.167 -10.519 1.00 0.00 C ATOM 886 C PRO A 78 1.115 12.956 -9.526 1.00 0.00 C ATOM 887 O PRO A 78 1.523 13.176 -8.390 1.00 0.00 O ATOM 888 CB PRO A 78 2.881 13.116 -11.310 1.00 0.00 C ATOM 889 CG PRO A 78 2.964 12.518 -12.672 1.00 0.00 C ATOM 890 CD PRO A 78 1.635 11.861 -12.917 1.00 0.00 C ATOM 0 HA PRO A 78 2.516 11.441 -9.914 1.00 0.00 H new ATOM 0 HB2 PRO A 78 2.466 14.123 -11.345 1.00 0.00 H new ATOM 0 HB3 PRO A 78 3.867 13.194 -10.852 1.00 0.00 H new ATOM 0 HG2 PRO A 78 3.166 13.283 -13.422 1.00 0.00 H new ATOM 0 HG3 PRO A 78 3.775 11.792 -12.731 1.00 0.00 H new ATOM 0 HD2 PRO A 78 0.942 12.533 -13.423 1.00 0.00 H new ATOM 0 HD3 PRO A 78 1.734 10.975 -13.544 1.00 0.00 H new ATOM 898 N ILE A 79 -0.066 13.384 -9.973 1.00 0.00 N ATOM 899 CA ILE A 79 -0.963 14.141 -9.129 1.00 0.00 C ATOM 900 C ILE A 79 -2.400 14.050 -9.639 1.00 0.00 C ATOM 901 O ILE A 79 -2.880 14.947 -10.339 1.00 0.00 O ATOM 902 CB ILE A 79 -0.552 15.628 -9.045 1.00 0.00 C ATOM 903 CG1 ILE A 79 -1.518 16.418 -8.156 1.00 0.00 C ATOM 904 CG2 ILE A 79 -0.483 16.241 -10.443 1.00 0.00 C ATOM 905 CD1 ILE A 79 -2.099 15.608 -7.021 1.00 0.00 C ATOM 0 H ILE A 79 -0.415 13.214 -10.916 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.900 13.703 -8.133 1.00 0.00 H new ATOM 0 HB ILE A 79 0.438 15.681 -8.592 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.995 17.281 -7.744 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -2.332 16.802 -8.771 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.192 17.289 -10.367 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.253 15.703 -11.040 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -1.460 16.169 -10.920 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -2.773 16.233 -6.435 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -2.651 14.759 -7.425 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.293 15.246 -6.382 1.00 0.00 H new ATOM 917 N ASN A 80 -3.082 12.969 -9.287 1.00 0.00 N ATOM 918 CA ASN A 80 -4.463 12.760 -9.704 1.00 0.00 C ATOM 919 C ASN A 80 -5.185 11.793 -8.760 1.00 0.00 C ATOM 920 O ASN A 80 -5.892 12.224 -7.851 1.00 0.00 O ATOM 921 CB ASN A 80 -4.511 12.244 -11.148 1.00 0.00 C ATOM 922 CG ASN A 80 -5.924 11.977 -11.625 1.00 0.00 C ATOM 923 OD1 ASN A 80 -6.250 10.861 -12.038 1.00 0.00 O ATOM 924 ND2 ASN A 80 -6.772 13.001 -11.566 1.00 0.00 N ATOM 0 H ASN A 80 -2.700 12.219 -8.711 1.00 0.00 H new ATOM 0 HA ASN A 80 -4.980 13.718 -9.659 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -4.041 12.974 -11.807 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -3.927 11.326 -11.222 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -7.738 12.881 -11.870 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -6.456 13.906 -11.217 1.00 0.00 H new ATOM 931 N PHE A 81 -5.003 10.499 -8.989 1.00 0.00 N ATOM 932 CA PHE A 81 -5.641 9.486 -8.156 1.00 0.00 C ATOM 933 C PHE A 81 -4.670 8.355 -7.809 1.00 0.00 C ATOM 934 O PHE A 81 -3.579 8.280 -8.376 1.00 0.00 O ATOM 935 CB PHE A 81 -6.865 8.910 -8.863 1.00 0.00 C ATOM 936 CG PHE A 81 -7.917 9.938 -9.166 1.00 0.00 C ATOM 937 CD1 PHE A 81 -8.455 10.726 -8.156 1.00 0.00 C ATOM 938 CD2 PHE A 81 -8.376 10.122 -10.458 1.00 0.00 C ATOM 939 CE1 PHE A 81 -9.422 11.671 -8.431 1.00 0.00 C ATOM 940 CE2 PHE A 81 -9.344 11.074 -10.746 1.00 0.00 C ATOM 941 CZ PHE A 81 -9.869 11.848 -9.729 1.00 0.00 C ATOM 0 H PHE A 81 -4.422 10.127 -9.740 1.00 0.00 H new ATOM 0 HA PHE A 81 -5.951 9.970 -7.230 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -6.549 8.438 -9.794 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -7.300 8.128 -8.241 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -8.111 10.597 -7.140 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -7.974 9.515 -11.256 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -9.830 12.273 -7.633 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -9.686 11.209 -11.762 1.00 0.00 H new ATOM 0 HZ PHE A 81 -10.625 12.588 -9.946 1.00 0.00 H new ATOM 951 N LEU A 82 -5.075 7.496 -6.895 1.00 0.00 N ATOM 952 CA LEU A 82 -4.249 6.373 -6.479 1.00 0.00 C ATOM 953 C LEU A 82 -4.965 5.053 -6.746 1.00 0.00 C ATOM 954 O LEU A 82 -6.144 4.902 -6.425 1.00 0.00 O ATOM 955 CB LEU A 82 -3.902 6.492 -4.994 1.00 0.00 C ATOM 956 CG LEU A 82 -3.019 7.687 -4.630 1.00 0.00 C ATOM 957 CD1 LEU A 82 -1.755 7.683 -5.460 1.00 0.00 C ATOM 958 CD2 LEU A 82 -3.778 8.984 -4.819 1.00 0.00 C ATOM 0 H LEU A 82 -5.977 7.553 -6.422 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.327 6.391 -7.059 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.829 6.557 -4.424 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.398 5.578 -4.680 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.740 7.603 -3.580 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -1.139 8.540 -5.188 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.200 6.763 -5.274 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -2.014 7.743 -6.517 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.135 9.824 -4.555 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.087 9.076 -5.860 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.659 8.987 -4.177 1.00 0.00 H new ATOM 970 N CYS A 83 -4.250 4.103 -7.341 1.00 0.00 N ATOM 971 CA CYS A 83 -4.829 2.801 -7.656 1.00 0.00 C ATOM 972 C CYS A 83 -4.056 1.669 -6.984 1.00 0.00 C ATOM 973 O CYS A 83 -2.907 1.395 -7.329 1.00 0.00 O ATOM 974 CB CYS A 83 -4.856 2.587 -9.170 1.00 0.00 C ATOM 975 SG CYS A 83 -6.367 1.804 -9.779 1.00 0.00 S ATOM 0 H CYS A 83 -3.273 4.209 -7.614 1.00 0.00 H new ATOM 0 HA CYS A 83 -5.849 2.789 -7.271 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -4.735 3.551 -9.664 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -4.002 1.973 -9.454 1.00 0.00 H new ATOM 0 HG CYS A 83 -6.295 1.668 -11.070 1.00 0.00 H new ATOM 981 N ILE A 84 -4.705 1.009 -6.030 1.00 0.00 N ATOM 982 CA ILE A 84 -4.094 -0.103 -5.311 1.00 0.00 C ATOM 983 C ILE A 84 -4.546 -1.435 -5.905 1.00 0.00 C ATOM 984 O ILE A 84 -5.729 -1.630 -6.179 1.00 0.00 O ATOM 985 CB ILE A 84 -4.460 -0.062 -3.812 1.00 0.00 C ATOM 986 CG1 ILE A 84 -3.864 1.186 -3.154 1.00 0.00 C ATOM 987 CG2 ILE A 84 -4.006 -1.333 -3.100 1.00 0.00 C ATOM 988 CD1 ILE A 84 -2.445 1.005 -2.676 1.00 0.00 C ATOM 0 H ILE A 84 -5.657 1.226 -5.736 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.013 -0.008 -5.412 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.545 -0.010 -3.724 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -3.895 2.010 -3.866 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.489 1.472 -2.308 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.277 -1.276 -2.046 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.492 -2.197 -3.553 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.925 -1.435 -3.192 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -2.093 1.931 -2.222 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -2.409 0.203 -1.939 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.806 0.750 -3.521 1.00 0.00 H new ATOM 1000 N PHE A 85 -3.600 -2.346 -6.105 1.00 0.00 N ATOM 1001 CA PHE A 85 -3.909 -3.653 -6.671 1.00 0.00 C ATOM 1002 C PHE A 85 -3.371 -4.776 -5.791 1.00 0.00 C ATOM 1003 O PHE A 85 -2.239 -5.224 -5.964 1.00 0.00 O ATOM 1004 CB PHE A 85 -3.325 -3.775 -8.080 1.00 0.00 C ATOM 1005 CG PHE A 85 -4.270 -3.332 -9.161 1.00 0.00 C ATOM 1006 CD1 PHE A 85 -5.476 -3.984 -9.355 1.00 0.00 C ATOM 1007 CD2 PHE A 85 -3.950 -2.263 -9.983 1.00 0.00 C ATOM 1008 CE1 PHE A 85 -6.347 -3.580 -10.349 1.00 0.00 C ATOM 1009 CE2 PHE A 85 -4.817 -1.853 -10.978 1.00 0.00 C ATOM 1010 CZ PHE A 85 -6.017 -2.513 -11.161 1.00 0.00 C ATOM 0 H PHE A 85 -2.615 -2.203 -5.884 1.00 0.00 H new ATOM 0 HA PHE A 85 -4.994 -3.745 -6.722 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -2.413 -3.181 -8.139 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -3.042 -4.812 -8.259 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -5.739 -4.818 -8.722 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -3.013 -1.745 -9.844 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -7.284 -4.098 -10.490 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.557 -1.018 -11.612 1.00 0.00 H new ATOM 0 HZ PHE A 85 -6.696 -2.195 -11.938 1.00 0.00 H new ATOM 1020 N ILE A 86 -4.195 -5.228 -4.849 1.00 0.00 N ATOM 1021 CA ILE A 86 -3.806 -6.306 -3.941 1.00 0.00 C ATOM 1022 C ILE A 86 -4.222 -7.671 -4.503 1.00 0.00 C ATOM 1023 O ILE A 86 -5.405 -8.012 -4.503 1.00 0.00 O ATOM 1024 CB ILE A 86 -4.430 -6.113 -2.538 1.00 0.00 C ATOM 1025 CG1 ILE A 86 -4.248 -7.371 -1.682 1.00 0.00 C ATOM 1026 CG2 ILE A 86 -5.904 -5.754 -2.649 1.00 0.00 C ATOM 1027 CD1 ILE A 86 -4.664 -7.186 -0.239 1.00 0.00 C ATOM 0 H ILE A 86 -5.136 -4.866 -4.694 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.720 -6.274 -3.848 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.911 -5.289 -2.049 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -4.829 -8.184 -2.118 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -3.201 -7.674 -1.714 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -6.323 -5.623 -1.651 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.011 -4.827 -3.212 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.436 -6.555 -3.163 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -4.508 -8.116 0.307 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -4.066 -6.395 0.214 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.718 -6.913 -0.196 1.00 0.00 H new ATOM 1039 N PRO A 87 -3.255 -8.471 -4.996 1.00 0.00 N ATOM 1040 CA PRO A 87 -3.528 -9.790 -5.563 1.00 0.00 C ATOM 1041 C PRO A 87 -3.652 -10.869 -4.494 1.00 0.00 C ATOM 1042 O PRO A 87 -2.669 -11.227 -3.844 1.00 0.00 O ATOM 1043 CB PRO A 87 -2.309 -10.066 -6.459 1.00 0.00 C ATOM 1044 CG PRO A 87 -1.398 -8.885 -6.307 1.00 0.00 C ATOM 1045 CD PRO A 87 -1.824 -8.166 -5.058 1.00 0.00 C ATOM 0 HA PRO A 87 -4.477 -9.806 -6.099 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.806 -10.986 -6.159 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -2.611 -10.192 -7.499 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -0.359 -9.205 -6.233 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -1.468 -8.228 -7.174 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -1.292 -8.529 -4.178 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -1.639 -7.094 -5.123 1.00 0.00 H new ATOM 1053 N THR A 88 -4.860 -11.388 -4.317 1.00 0.00 N ATOM 1054 CA THR A 88 -5.102 -12.428 -3.324 1.00 0.00 C ATOM 1055 C THR A 88 -5.852 -13.607 -3.934 1.00 0.00 C ATOM 1056 O THR A 88 -6.677 -13.436 -4.831 1.00 0.00 O ATOM 1057 CB THR A 88 -5.887 -11.862 -2.139 1.00 0.00 C ATOM 1058 OG1 THR A 88 -6.035 -12.837 -1.123 1.00 0.00 O ATOM 1059 CG2 THR A 88 -7.270 -11.376 -2.512 1.00 0.00 C ATOM 0 H THR A 88 -5.686 -11.107 -4.846 1.00 0.00 H new ATOM 0 HA THR A 88 -4.135 -12.785 -2.971 1.00 0.00 H new ATOM 0 HB THR A 88 -5.303 -11.011 -1.789 1.00 0.00 H new ATOM 0 HG1 THR A 88 -5.605 -12.521 -0.301 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.771 -10.988 -1.625 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.189 -10.586 -3.258 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.848 -12.204 -2.922 1.00 0.00 H new ATOM 1067 N LEU A 89 -5.560 -14.806 -3.440 1.00 0.00 N ATOM 1068 CA LEU A 89 -6.208 -16.016 -3.936 1.00 0.00 C ATOM 1069 C LEU A 89 -7.117 -16.619 -2.871 1.00 0.00 C ATOM 1070 O LEU A 89 -6.705 -17.501 -2.118 1.00 0.00 O ATOM 1071 CB LEU A 89 -5.159 -17.045 -4.368 1.00 0.00 C ATOM 1072 CG LEU A 89 -4.002 -16.494 -5.207 1.00 0.00 C ATOM 1073 CD1 LEU A 89 -4.526 -15.631 -6.346 1.00 0.00 C ATOM 1074 CD2 LEU A 89 -3.038 -15.704 -4.335 1.00 0.00 C ATOM 0 H LEU A 89 -4.879 -14.966 -2.697 1.00 0.00 H new ATOM 0 HA LEU A 89 -6.816 -15.744 -4.799 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.746 -17.514 -3.475 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -5.657 -17.829 -4.938 1.00 0.00 H new ATOM 0 HG LEU A 89 -3.462 -17.336 -5.639 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.688 -15.250 -6.929 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.172 -16.229 -6.988 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.094 -14.795 -5.938 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.223 -15.321 -4.949 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.566 -14.871 -3.871 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -2.633 -16.354 -3.559 1.00 0.00 H new ATOM 1086 N PHE A 90 -8.354 -16.135 -2.812 1.00 0.00 N ATOM 1087 CA PHE A 90 -9.321 -16.624 -1.837 1.00 0.00 C ATOM 1088 C PHE A 90 -9.558 -18.124 -1.996 1.00 0.00 C ATOM 1089 O PHE A 90 -10.490 -18.560 -2.671 1.00 0.00 O ATOM 1090 CB PHE A 90 -10.642 -15.851 -1.950 1.00 0.00 C ATOM 1091 CG PHE A 90 -11.471 -16.178 -3.168 1.00 0.00 C ATOM 1092 CD1 PHE A 90 -10.876 -16.518 -4.376 1.00 0.00 C ATOM 1093 CD2 PHE A 90 -12.854 -16.141 -3.099 1.00 0.00 C ATOM 1094 CE1 PHE A 90 -11.645 -16.814 -5.485 1.00 0.00 C ATOM 1095 CE2 PHE A 90 -13.628 -16.435 -4.207 1.00 0.00 C ATOM 1096 CZ PHE A 90 -13.022 -16.771 -5.400 1.00 0.00 C ATOM 0 H PHE A 90 -8.710 -15.404 -3.428 1.00 0.00 H new ATOM 0 HA PHE A 90 -8.907 -16.456 -0.843 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -11.239 -16.049 -1.059 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -10.421 -14.784 -1.955 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -9.799 -16.551 -4.449 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -13.334 -15.879 -2.168 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -11.169 -17.079 -6.418 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -14.705 -16.402 -4.138 1.00 0.00 H new ATOM 0 HZ PHE A 90 -13.624 -17.000 -6.267 1.00 0.00 H new ATOM 1106 N ASP A 91 -8.699 -18.907 -1.363 1.00 0.00 N ATOM 1107 CA ASP A 91 -8.800 -20.362 -1.421 1.00 0.00 C ATOM 1108 C ASP A 91 -8.356 -20.994 -0.106 1.00 0.00 C ATOM 1109 O ASP A 91 -7.949 -22.156 -0.072 1.00 0.00 O ATOM 1110 CB ASP A 91 -7.950 -20.906 -2.571 1.00 0.00 C ATOM 1111 CG ASP A 91 -8.442 -22.251 -3.067 1.00 0.00 C ATOM 1112 OD1 ASP A 91 -9.623 -22.577 -2.824 1.00 0.00 O ATOM 1113 OD2 ASP A 91 -7.647 -22.978 -3.699 1.00 0.00 O ATOM 0 H ASP A 91 -7.921 -18.561 -0.801 1.00 0.00 H new ATOM 0 HA ASP A 91 -9.845 -20.621 -1.593 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -7.959 -20.192 -3.395 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -6.915 -21.000 -2.242 1.00 0.00 H new ATOM 1118 N MET A 92 -8.442 -20.227 0.977 1.00 0.00 N ATOM 1119 CA MET A 92 -8.050 -20.718 2.293 1.00 0.00 C ATOM 1120 C MET A 92 -8.767 -19.946 3.396 1.00 0.00 C ATOM 1121 O MET A 92 -9.616 -20.495 4.099 1.00 0.00 O ATOM 1122 CB MET A 92 -6.531 -20.620 2.480 1.00 0.00 C ATOM 1123 CG MET A 92 -5.900 -19.414 1.797 1.00 0.00 C ATOM 1124 SD MET A 92 -4.913 -18.409 2.926 1.00 0.00 S ATOM 1125 CE MET A 92 -5.110 -16.787 2.194 1.00 0.00 C ATOM 0 H MET A 92 -8.779 -19.264 0.969 1.00 0.00 H new ATOM 0 HA MET A 92 -8.341 -21.766 2.359 1.00 0.00 H new ATOM 0 HB2 MET A 92 -6.308 -20.579 3.546 1.00 0.00 H new ATOM 0 HB3 MET A 92 -6.068 -21.528 2.093 1.00 0.00 H new ATOM 0 HG2 MET A 92 -5.270 -19.756 0.976 1.00 0.00 H new ATOM 0 HG3 MET A 92 -6.685 -18.797 1.360 1.00 0.00 H new ATOM 0 HE1 MET A 92 -4.135 -16.308 2.104 1.00 0.00 H new ATOM 0 HE2 MET A 92 -5.558 -16.886 1.205 1.00 0.00 H new ATOM 0 HE3 MET A 92 -5.757 -16.179 2.826 1.00 0.00 H new ATOM 1135 N ASN A 93 -8.426 -18.670 3.542 1.00 0.00 N ATOM 1136 CA ASN A 93 -9.045 -17.827 4.557 1.00 0.00 C ATOM 1137 C ASN A 93 -10.504 -17.534 4.208 1.00 0.00 C ATOM 1138 O ASN A 93 -11.270 -17.066 5.051 1.00 0.00 O ATOM 1139 CB ASN A 93 -8.268 -16.516 4.700 1.00 0.00 C ATOM 1140 CG ASN A 93 -7.973 -16.175 6.148 1.00 0.00 C ATOM 1141 OD1 ASN A 93 -8.865 -15.781 6.899 1.00 0.00 O ATOM 1142 ND2 ASN A 93 -6.715 -16.324 6.546 1.00 0.00 N ATOM 0 H ASN A 93 -7.725 -18.198 2.971 1.00 0.00 H new ATOM 0 HA ASN A 93 -9.020 -18.363 5.506 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -7.331 -16.590 4.149 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -8.841 -15.706 4.248 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -6.456 -16.109 7.509 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -6.008 -16.654 5.889 1.00 0.00 H new ATOM 1149 N ASN A 94 -10.881 -17.807 2.960 1.00 0.00 N ATOM 1150 CA ASN A 94 -12.246 -17.567 2.503 1.00 0.00 C ATOM 1151 C ASN A 94 -12.638 -16.099 2.674 1.00 0.00 C ATOM 1152 O ASN A 94 -13.821 -15.762 2.672 1.00 0.00 O ATOM 1153 CB ASN A 94 -13.226 -18.459 3.269 1.00 0.00 C ATOM 1154 CG ASN A 94 -14.320 -19.013 2.379 1.00 0.00 C ATOM 1155 OD1 ASN A 94 -14.365 -20.213 2.104 1.00 0.00 O ATOM 1156 ND2 ASN A 94 -15.211 -18.141 1.923 1.00 0.00 N ATOM 0 H ASN A 94 -10.260 -18.194 2.249 1.00 0.00 H new ATOM 0 HA ASN A 94 -12.290 -17.811 1.442 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -12.680 -19.285 3.726 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -13.676 -17.887 4.080 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -15.971 -18.456 1.320 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -15.136 -17.156 2.176 1.00 0.00 H new ATOM 1163 N MET A 95 -11.637 -15.230 2.820 1.00 0.00 N ATOM 1164 CA MET A 95 -11.871 -13.797 2.991 1.00 0.00 C ATOM 1165 C MET A 95 -10.602 -13.096 3.466 1.00 0.00 C ATOM 1166 O MET A 95 -10.367 -12.964 4.668 1.00 0.00 O ATOM 1167 CB MET A 95 -13.002 -13.545 3.994 1.00 0.00 C ATOM 1168 CG MET A 95 -12.955 -14.460 5.208 1.00 0.00 C ATOM 1169 SD MET A 95 -13.198 -13.573 6.760 1.00 0.00 S ATOM 1170 CE MET A 95 -12.670 -14.811 7.943 1.00 0.00 C ATOM 0 H MET A 95 -10.652 -15.496 2.823 1.00 0.00 H new ATOM 0 HA MET A 95 -12.161 -13.390 2.022 1.00 0.00 H new ATOM 0 HB2 MET A 95 -12.955 -12.509 4.329 1.00 0.00 H new ATOM 0 HB3 MET A 95 -13.959 -13.674 3.489 1.00 0.00 H new ATOM 0 HG2 MET A 95 -13.723 -15.227 5.109 1.00 0.00 H new ATOM 0 HG3 MET A 95 -11.993 -14.973 5.234 1.00 0.00 H new ATOM 0 HE1 MET A 95 -12.762 -14.412 8.953 1.00 0.00 H new ATOM 0 HE2 MET A 95 -13.296 -15.698 7.845 1.00 0.00 H new ATOM 0 HE3 MET A 95 -11.631 -15.077 7.751 1.00 0.00 H new ATOM 1180 N ASP A 96 -9.785 -12.648 2.517 1.00 0.00 N ATOM 1181 CA ASP A 96 -8.539 -11.962 2.842 1.00 0.00 C ATOM 1182 C ASP A 96 -8.791 -10.778 3.772 1.00 0.00 C ATOM 1183 O ASP A 96 -9.822 -10.112 3.679 1.00 0.00 O ATOM 1184 CB ASP A 96 -7.848 -11.482 1.564 1.00 0.00 C ATOM 1185 CG ASP A 96 -6.343 -11.375 1.722 1.00 0.00 C ATOM 1186 OD1 ASP A 96 -5.856 -11.487 2.867 1.00 0.00 O ATOM 1187 OD2 ASP A 96 -5.652 -11.181 0.701 1.00 0.00 O ATOM 0 H ASP A 96 -9.963 -12.748 1.518 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.889 -12.671 3.356 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -8.077 -12.171 0.751 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -8.250 -10.509 1.281 1.00 0.00 H new ATOM 1192 N LEU A 97 -7.844 -10.526 4.669 1.00 0.00 N ATOM 1193 CA LEU A 97 -7.965 -9.424 5.618 1.00 0.00 C ATOM 1194 C LEU A 97 -7.738 -8.082 4.927 1.00 0.00 C ATOM 1195 O LEU A 97 -6.746 -7.399 5.183 1.00 0.00 O ATOM 1196 CB LEU A 97 -6.966 -9.600 6.764 1.00 0.00 C ATOM 1197 CG LEU A 97 -7.271 -10.758 7.715 1.00 0.00 C ATOM 1198 CD1 LEU A 97 -5.983 -11.412 8.192 1.00 0.00 C ATOM 1199 CD2 LEU A 97 -8.093 -10.270 8.900 1.00 0.00 C ATOM 0 H LEU A 97 -6.985 -11.069 4.759 1.00 0.00 H new ATOM 0 HA LEU A 97 -8.977 -9.434 6.023 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.973 -9.749 6.340 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -6.931 -8.676 7.341 1.00 0.00 H new ATOM 0 HG LEU A 97 -7.854 -11.504 7.174 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -6.221 -12.234 8.868 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -5.430 -11.796 7.334 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.374 -10.676 8.716 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -8.302 -11.106 9.567 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -7.534 -9.505 9.440 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -9.032 -9.848 8.542 1.00 0.00 H new ATOM 1211 N LEU A 98 -8.664 -7.711 4.050 1.00 0.00 N ATOM 1212 CA LEU A 98 -8.567 -6.450 3.322 1.00 0.00 C ATOM 1213 C LEU A 98 -9.067 -5.281 4.169 1.00 0.00 C ATOM 1214 O LEU A 98 -8.857 -4.118 3.822 1.00 0.00 O ATOM 1215 CB LEU A 98 -9.366 -6.529 2.019 1.00 0.00 C ATOM 1216 CG LEU A 98 -8.554 -6.940 0.787 1.00 0.00 C ATOM 1217 CD1 LEU A 98 -8.959 -8.329 0.317 1.00 0.00 C ATOM 1218 CD2 LEU A 98 -8.729 -5.925 -0.332 1.00 0.00 C ATOM 0 H LEU A 98 -9.491 -8.265 3.825 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.516 -6.277 3.090 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -10.181 -7.240 2.152 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -9.820 -5.556 1.829 1.00 0.00 H new ATOM 0 HG LEU A 98 -7.500 -6.966 1.065 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.371 -8.603 -0.559 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -8.779 -9.050 1.115 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -10.018 -8.331 0.058 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.145 -6.234 -1.198 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -9.782 -5.865 -0.607 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.386 -4.947 0.007 1.00 0.00 H new ATOM 1230 N LYS A 99 -9.729 -5.591 5.281 1.00 0.00 N ATOM 1231 CA LYS A 99 -10.257 -4.563 6.172 1.00 0.00 C ATOM 1232 C LYS A 99 -9.156 -3.609 6.631 1.00 0.00 C ATOM 1233 O LYS A 99 -9.432 -2.473 7.023 1.00 0.00 O ATOM 1234 CB LYS A 99 -10.926 -5.207 7.388 1.00 0.00 C ATOM 1235 CG LYS A 99 -11.795 -4.246 8.184 1.00 0.00 C ATOM 1236 CD LYS A 99 -13.255 -4.673 8.177 1.00 0.00 C ATOM 1237 CE LYS A 99 -13.915 -4.427 9.524 1.00 0.00 C ATOM 1238 NZ LYS A 99 -14.740 -5.588 9.958 1.00 0.00 N ATOM 0 H LYS A 99 -9.912 -6.547 5.586 1.00 0.00 H new ATOM 0 HA LYS A 99 -10.998 -3.988 5.616 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -11.537 -6.045 7.054 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -10.156 -5.615 8.043 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -11.435 -4.196 9.212 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -11.707 -3.243 7.766 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -13.792 -4.125 7.403 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -13.324 -5.731 7.925 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -13.149 -4.226 10.273 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -14.543 -3.538 9.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -15.173 -5.381 10.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -15.487 -5.764 9.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -14.137 -6.431 10.040 1.00 0.00 H new ATOM 1252 N GLN A 100 -7.909 -4.068 6.575 1.00 0.00 N ATOM 1253 CA GLN A 100 -6.778 -3.246 6.982 1.00 0.00 C ATOM 1254 C GLN A 100 -6.469 -2.208 5.911 1.00 0.00 C ATOM 1255 O GLN A 100 -6.510 -1.005 6.165 1.00 0.00 O ATOM 1256 CB GLN A 100 -5.547 -4.119 7.239 1.00 0.00 C ATOM 1257 CG GLN A 100 -5.248 -4.326 8.716 1.00 0.00 C ATOM 1258 CD GLN A 100 -5.160 -5.792 9.096 1.00 0.00 C ATOM 1259 OE1 GLN A 100 -4.117 -6.425 8.931 1.00 0.00 O ATOM 1260 NE2 GLN A 100 -6.256 -6.339 9.605 1.00 0.00 N ATOM 0 H GLN A 100 -7.658 -5.003 6.252 1.00 0.00 H new ATOM 0 HA GLN A 100 -7.039 -2.732 7.907 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -5.695 -5.090 6.767 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -4.681 -3.661 6.762 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -4.308 -3.833 8.965 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -6.026 -3.847 9.311 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -7.099 -5.777 9.724 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -6.256 -7.322 9.877 1.00 0.00 H new ATOM 1269 N ALA A 101 -6.176 -2.688 4.709 1.00 0.00 N ATOM 1270 CA ALA A 101 -5.875 -1.814 3.584 1.00 0.00 C ATOM 1271 C ALA A 101 -6.984 -0.784 3.388 1.00 0.00 C ATOM 1272 O ALA A 101 -6.720 0.397 3.154 1.00 0.00 O ATOM 1273 CB ALA A 101 -5.690 -2.645 2.326 1.00 0.00 C ATOM 0 H ALA A 101 -6.141 -3.683 4.488 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.951 -1.276 3.794 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -5.465 -1.988 1.486 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -4.867 -3.345 2.470 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.605 -3.199 2.118 1.00 0.00 H new ATOM 1279 N LEU A 102 -8.226 -1.244 3.496 1.00 0.00 N ATOM 1280 CA LEU A 102 -9.383 -0.372 3.341 1.00 0.00 C ATOM 1281 C LEU A 102 -9.398 0.703 4.422 1.00 0.00 C ATOM 1282 O LEU A 102 -9.871 1.816 4.198 1.00 0.00 O ATOM 1283 CB LEU A 102 -10.677 -1.188 3.406 1.00 0.00 C ATOM 1284 CG LEU A 102 -11.100 -1.843 2.090 1.00 0.00 C ATOM 1285 CD1 LEU A 102 -11.974 -3.059 2.357 1.00 0.00 C ATOM 1286 CD2 LEU A 102 -11.830 -0.841 1.208 1.00 0.00 C ATOM 0 H LEU A 102 -8.457 -2.218 3.691 1.00 0.00 H new ATOM 0 HA LEU A 102 -9.314 0.112 2.367 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -10.559 -1.967 4.160 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -11.482 -0.536 3.744 1.00 0.00 H new ATOM 0 HG LEU A 102 -10.204 -2.174 1.565 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -12.266 -3.512 1.410 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -11.417 -3.784 2.950 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -12.867 -2.753 2.903 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -12.124 -1.323 0.276 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -12.719 -0.480 1.726 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -11.171 -0.001 0.990 1.00 0.00 H new ATOM 1298 N LEU A 103 -8.878 0.360 5.596 1.00 0.00 N ATOM 1299 CA LEU A 103 -8.832 1.295 6.715 1.00 0.00 C ATOM 1300 C LEU A 103 -7.744 2.346 6.506 1.00 0.00 C ATOM 1301 O LEU A 103 -7.941 3.524 6.804 1.00 0.00 O ATOM 1302 CB LEU A 103 -8.592 0.542 8.025 1.00 0.00 C ATOM 1303 CG LEU A 103 -9.812 0.437 8.942 1.00 0.00 C ATOM 1304 CD1 LEU A 103 -9.822 -0.899 9.668 1.00 0.00 C ATOM 1305 CD2 LEU A 103 -9.829 1.587 9.938 1.00 0.00 C ATOM 0 H LEU A 103 -8.483 -0.558 5.797 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.794 1.806 6.770 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -8.245 -0.464 7.790 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -7.788 1.037 8.570 1.00 0.00 H new ATOM 0 HG LEU A 103 -10.711 0.499 8.328 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -10.697 -0.955 10.315 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -9.857 -1.709 8.939 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -8.919 -0.992 10.271 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -10.703 1.497 10.583 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -8.925 1.555 10.546 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -9.871 2.534 9.400 1.00 0.00 H new ATOM 1317 N ILE A 104 -6.596 1.912 5.995 1.00 0.00 N ATOM 1318 CA ILE A 104 -5.478 2.817 5.751 1.00 0.00 C ATOM 1319 C ILE A 104 -5.879 3.947 4.806 1.00 0.00 C ATOM 1320 O ILE A 104 -5.681 5.122 5.112 1.00 0.00 O ATOM 1321 CB ILE A 104 -4.264 2.071 5.161 1.00 0.00 C ATOM 1322 CG1 ILE A 104 -3.858 0.910 6.070 1.00 0.00 C ATOM 1323 CG2 ILE A 104 -3.094 3.025 4.963 1.00 0.00 C ATOM 1324 CD1 ILE A 104 -3.546 1.335 7.489 1.00 0.00 C ATOM 0 H ILE A 104 -6.416 0.940 5.742 1.00 0.00 H new ATOM 0 HA ILE A 104 -5.198 3.238 6.717 1.00 0.00 H new ATOM 0 HB ILE A 104 -4.547 1.668 4.189 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -4.662 0.175 6.088 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -2.984 0.416 5.646 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -2.247 2.480 4.546 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -3.386 3.821 4.278 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -2.811 3.457 5.923 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -3.266 0.461 8.077 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -2.721 2.048 7.482 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -4.426 1.803 7.931 1.00 0.00 H new ATOM 1336 N LEU A 105 -6.441 3.585 3.656 1.00 0.00 N ATOM 1337 CA LEU A 105 -6.862 4.577 2.673 1.00 0.00 C ATOM 1338 C LEU A 105 -7.962 5.473 3.237 1.00 0.00 C ATOM 1339 O LEU A 105 -7.944 6.691 3.044 1.00 0.00 O ATOM 1340 CB LEU A 105 -7.348 3.888 1.394 1.00 0.00 C ATOM 1341 CG LEU A 105 -8.541 2.948 1.576 1.00 0.00 C ATOM 1342 CD1 LEU A 105 -9.844 3.678 1.292 1.00 0.00 C ATOM 1343 CD2 LEU A 105 -8.402 1.732 0.673 1.00 0.00 C ATOM 0 H LEU A 105 -6.614 2.618 3.383 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.001 5.201 2.433 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.617 4.654 0.667 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -6.520 3.321 0.968 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.557 2.608 2.612 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -10.681 2.993 1.427 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -9.948 4.518 1.979 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -9.838 4.047 0.266 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -9.259 1.074 0.815 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -8.360 2.054 -0.367 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -7.487 1.195 0.923 1.00 0.00 H new ATOM 1355 N HIS A 106 -8.916 4.867 3.937 1.00 0.00 N ATOM 1356 CA HIS A 106 -10.020 5.617 4.527 1.00 0.00 C ATOM 1357 C HIS A 106 -9.508 6.598 5.577 1.00 0.00 C ATOM 1358 O HIS A 106 -9.909 7.754 5.606 1.00 0.00 O ATOM 1359 CB HIS A 106 -11.041 4.664 5.154 1.00 0.00 C ATOM 1360 CG HIS A 106 -12.394 4.735 4.517 1.00 0.00 C ATOM 1361 ND1 HIS A 106 -13.492 5.276 5.146 1.00 0.00 N ATOM 1362 CD2 HIS A 106 -12.822 4.327 3.299 1.00 0.00 C ATOM 1363 CE1 HIS A 106 -14.536 5.196 4.345 1.00 0.00 C ATOM 1364 NE2 HIS A 106 -14.155 4.624 3.218 1.00 0.00 N ATOM 0 H HIS A 106 -8.947 3.862 4.109 1.00 0.00 H new ATOM 0 HA HIS A 106 -10.507 6.182 3.732 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -10.666 3.643 5.080 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -11.135 4.893 6.216 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -12.223 3.855 2.534 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -15.534 5.540 4.572 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -14.757 4.434 2.417 1.00 0.00 H new ATOM 1373 N ASN A 107 -8.616 6.123 6.440 1.00 0.00 N ATOM 1374 CA ASN A 107 -8.049 6.959 7.492 1.00 0.00 C ATOM 1375 C ASN A 107 -7.348 8.174 6.896 1.00 0.00 C ATOM 1376 O ASN A 107 -7.278 9.232 7.528 1.00 0.00 O ATOM 1377 CB ASN A 107 -7.067 6.151 8.339 1.00 0.00 C ATOM 1378 CG ASN A 107 -7.110 6.544 9.805 1.00 0.00 C ATOM 1379 OD1 ASN A 107 -8.145 6.420 10.460 1.00 0.00 O ATOM 1380 ND2 ASN A 107 -5.984 7.022 10.325 1.00 0.00 N ATOM 0 H ASN A 107 -8.270 5.163 6.432 1.00 0.00 H new ATOM 0 HA ASN A 107 -8.863 7.307 8.128 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -7.296 5.090 8.243 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -6.057 6.295 7.956 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -5.954 7.304 11.305 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -5.150 7.107 9.744 1.00 0.00 H new ATOM 1387 N ASP A 108 -6.826 8.023 5.686 1.00 0.00 N ATOM 1388 CA ASP A 108 -6.130 9.109 5.008 1.00 0.00 C ATOM 1389 C ASP A 108 -7.109 10.164 4.529 1.00 0.00 C ATOM 1390 O ASP A 108 -6.806 11.355 4.533 1.00 0.00 O ATOM 1391 CB ASP A 108 -5.321 8.571 3.829 1.00 0.00 C ATOM 1392 CG ASP A 108 -3.869 8.325 4.185 1.00 0.00 C ATOM 1393 OD1 ASP A 108 -3.279 9.171 4.880 1.00 0.00 O ATOM 1394 OD2 ASP A 108 -3.323 7.282 3.767 1.00 0.00 O ATOM 0 H ASP A 108 -6.872 7.155 5.152 1.00 0.00 H new ATOM 0 HA ASP A 108 -5.448 9.571 5.723 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -5.769 7.641 3.480 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -5.374 9.280 3.003 1.00 0.00 H new ATOM 1399 N LEU A 109 -8.291 9.723 4.110 1.00 0.00 N ATOM 1400 CA LEU A 109 -9.319 10.636 3.624 1.00 0.00 C ATOM 1401 C LEU A 109 -10.230 11.098 4.761 1.00 0.00 C ATOM 1402 O LEU A 109 -10.812 12.186 4.703 1.00 0.00 O ATOM 1403 CB LEU A 109 -10.154 9.969 2.526 1.00 0.00 C ATOM 1404 CG LEU A 109 -9.713 10.282 1.097 1.00 0.00 C ATOM 1405 CD1 LEU A 109 -10.154 9.180 0.147 1.00 0.00 C ATOM 1406 CD2 LEU A 109 -10.272 11.624 0.652 1.00 0.00 C ATOM 0 H LEU A 109 -8.560 8.739 4.097 1.00 0.00 H new ATOM 0 HA LEU A 109 -8.817 11.510 3.209 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -10.122 8.889 2.672 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -11.193 10.276 2.645 1.00 0.00 H new ATOM 0 HG LEU A 109 -8.625 10.336 1.077 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -9.831 9.421 -0.866 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -9.708 8.234 0.455 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -11.240 9.093 0.170 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -9.949 11.833 -0.368 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -11.361 11.595 0.689 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -9.907 12.408 1.316 1.00 0.00 H new ATOM 1418 N HIS A 110 -10.355 10.272 5.788 1.00 0.00 N ATOM 1419 CA HIS A 110 -11.196 10.581 6.933 1.00 0.00 C ATOM 1420 C HIS A 110 -10.523 11.607 7.860 1.00 0.00 C ATOM 1421 O HIS A 110 -11.134 12.083 8.814 1.00 0.00 O ATOM 1422 CB HIS A 110 -11.520 9.313 7.723 1.00 0.00 C ATOM 1423 CG HIS A 110 -12.893 9.320 8.324 1.00 0.00 C ATOM 1424 ND1 HIS A 110 -14.046 9.335 7.570 1.00 0.00 N ATOM 1425 CD2 HIS A 110 -13.294 9.301 9.613 1.00 0.00 C ATOM 1426 CE1 HIS A 110 -15.096 9.335 8.373 1.00 0.00 C ATOM 1427 NE2 HIS A 110 -14.667 9.318 9.620 1.00 0.00 N ATOM 0 H HIS A 110 -9.878 9.372 5.851 1.00 0.00 H new ATOM 0 HA HIS A 110 -12.121 11.012 6.551 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -11.424 8.449 7.065 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -10.784 9.191 8.518 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -12.652 9.277 10.481 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -16.130 9.347 8.061 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -15.257 9.318 10.452 1.00 0.00 H new ATOM 1436 N GLU A 111 -9.264 11.930 7.574 1.00 0.00 N ATOM 1437 CA GLU A 111 -8.521 12.886 8.387 1.00 0.00 C ATOM 1438 C GLU A 111 -9.322 14.173 8.590 1.00 0.00 C ATOM 1439 O GLU A 111 -9.704 14.513 9.710 1.00 0.00 O ATOM 1440 CB GLU A 111 -7.179 13.219 7.732 1.00 0.00 C ATOM 1441 CG GLU A 111 -6.062 12.257 8.125 1.00 0.00 C ATOM 1442 CD GLU A 111 -5.675 12.379 9.587 1.00 0.00 C ATOM 1443 OE1 GLU A 111 -5.933 13.450 10.182 1.00 0.00 O ATOM 1444 OE2 GLU A 111 -5.123 11.411 10.131 1.00 0.00 O ATOM 0 H GLU A 111 -8.740 11.545 6.788 1.00 0.00 H new ATOM 0 HA GLU A 111 -8.343 12.426 9.359 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -7.298 13.204 6.649 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -6.890 14.233 8.007 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -6.380 11.234 7.921 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -5.187 12.449 7.504 1.00 0.00 H new ATOM 1451 N TYR A 112 -9.577 14.891 7.499 1.00 0.00 N ATOM 1452 CA TYR A 112 -10.334 16.130 7.558 1.00 0.00 C ATOM 1453 C TYR A 112 -10.472 16.756 6.172 1.00 0.00 C ATOM 1454 O TYR A 112 -11.566 16.807 5.611 1.00 0.00 O ATOM 1455 CB TYR A 112 -9.662 17.125 8.509 1.00 0.00 C ATOM 1456 CG TYR A 112 -10.443 17.370 9.778 1.00 0.00 C ATOM 1457 CD1 TYR A 112 -11.713 17.936 9.734 1.00 0.00 C ATOM 1458 CD2 TYR A 112 -9.916 17.051 11.023 1.00 0.00 C ATOM 1459 CE1 TYR A 112 -12.434 18.168 10.892 1.00 0.00 C ATOM 1460 CE2 TYR A 112 -10.631 17.276 12.183 1.00 0.00 C ATOM 1461 CZ TYR A 112 -11.887 17.828 12.113 1.00 0.00 C ATOM 1462 OH TYR A 112 -12.604 18.062 13.267 1.00 0.00 O ATOM 0 H TYR A 112 -9.268 14.631 6.562 1.00 0.00 H new ATOM 0 HA TYR A 112 -11.330 15.893 7.933 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -8.670 16.754 8.768 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -9.522 18.073 7.990 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -12.144 18.199 8.779 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -8.928 16.619 11.085 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -13.417 18.612 10.841 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -10.204 17.019 13.141 1.00 0.00 H new ATOM 0 HH TYR A 112 -12.082 17.766 14.042 1.00 0.00 H new ATOM 1472 N VAL A 113 -9.352 17.230 5.627 1.00 0.00 N ATOM 1473 CA VAL A 113 -9.332 17.850 4.306 1.00 0.00 C ATOM 1474 C VAL A 113 -10.503 18.815 4.126 1.00 0.00 C ATOM 1475 O VAL A 113 -11.107 18.889 3.051 1.00 0.00 O ATOM 1476 CB VAL A 113 -9.351 16.799 3.185 1.00 0.00 C ATOM 1477 CG1 VAL A 113 -10.651 16.006 3.203 1.00 0.00 C ATOM 1478 CG2 VAL A 113 -9.136 17.454 1.831 1.00 0.00 C ATOM 0 H VAL A 113 -8.441 17.195 6.085 1.00 0.00 H new ATOM 0 HA VAL A 113 -8.400 18.411 4.238 1.00 0.00 H new ATOM 0 HB VAL A 113 -8.531 16.103 3.361 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -10.639 15.269 2.400 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -10.753 15.497 4.161 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -11.493 16.684 3.061 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -9.153 16.692 1.052 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -9.929 18.179 1.647 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -8.171 17.961 1.821 1.00 0.00 H new ATOM 1488 N GLU A 114 -10.831 19.561 5.175 1.00 0.00 N ATOM 1489 CA GLU A 114 -11.929 20.512 5.132 1.00 0.00 C ATOM 1490 C GLU A 114 -11.401 21.951 5.143 1.00 0.00 C ATOM 1491 O GLU A 114 -11.963 22.821 5.799 1.00 0.00 O ATOM 1492 CB GLU A 114 -12.869 20.300 6.322 1.00 0.00 C ATOM 1493 CG GLU A 114 -13.976 19.288 6.043 1.00 0.00 C ATOM 1494 CD GLU A 114 -15.158 19.462 6.976 1.00 0.00 C ATOM 1495 OE1 GLU A 114 -14.951 19.845 8.143 1.00 0.00 O ATOM 1496 OE2 GLU A 114 -16.304 19.213 6.527 1.00 0.00 O ATOM 0 H GLU A 114 -10.346 19.522 6.071 1.00 0.00 H new ATOM 0 HA GLU A 114 -12.481 20.346 4.207 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -12.287 19.964 7.181 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -13.319 21.254 6.595 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -14.311 19.393 5.011 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -13.578 18.279 6.147 1.00 0.00 H new TER 1503 GLU A 114