USER MOD reduce.3.24.130724 H: found=0, std=0, add=880, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 879 hydrogens (32 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 105 HECFE :(H bumps) USER MOD NoAdj-H: A 105 HEC HAC : A 105 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 105 HEC HAB : A 105 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 105 HEC H2D : A 105 HEC O2D : A 105 HEC CGD :(short bond) USER MOD Set 1.1: A 86 LYS NZ :NH3+ 151:sc= 0.237 (180deg=-0.376) USER MOD Set 1.2: A 89 THR OG1 : rot -150:sc= 0.532 USER MOD Set 2.1: A 52 ASN : amide:sc= -0.68 X(o=0.84,f=1.1) USER MOD Set 2.2: A 67 TYR OH : rot -142:sc= 0.863 USER MOD Set 2.3: A 78 THR OG1 : rot -159:sc= 0.652 USER MOD Set 3.1: A 55 LYS NZ :NH3+ 161:sc= 1.6 (180deg=0.0181) USER MOD Set 3.2: A 74 TYR OH : rot 30:sc= 0.935 USER MOD Single : A 1 GLY N :NH3+ -113:sc= -0.634! (180deg=-4.19!) USER MOD Single : A 5 LYS NZ :NH3+ 129:sc= -0.157 (180deg=-0.562) USER MOD Single : A 7 LYS NZ :NH3+ 160:sc= 0.713 (180deg=-2.14!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.209 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00728) USER MOD Single : A 26 HIS : no HD1:sc= -0.263 X(o=-0.26,f=-0.51) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.283 K(o=-0.28,f=-2.2) USER MOD Single : A 33 HIS : no HD1:sc=-0.00415 X(o=-0.0041,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot -101:sc= 1.57 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot 140:sc= 0.192 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 34:sc= 0.00503 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.0234 X(o=-0.023,f=-0.023) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.109) USER MOD Single : A 63 THR OG1 : rot 80:sc= 0.545 USER MOD Single : A 65 MET CE :methyl -117:sc= -0.0796 (180deg=-0.669) USER MOD Single : A 70 ASN : amide:sc= -0.776 X(o=-0.78,f=-1.1) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 180:sc= -0.439 (180deg=-0.439) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 166:sc= 1.19 (180deg=1.13) USER MOD Single : A 97 TYR OH : rot -127:sc= 0.0572 USER MOD Single : A 99 LYS NZ :NH3+ 174:sc= 0.948 (180deg=0.696) USER MOD Single : A 100 LYS NZ :NH3+ -129:sc= 0.0164 (180deg=-0.267) USER MOD Single : A 102 THR OG1 : rot -160:sc= 0.691 USER MOD Single : A 103 ASN : amide:sc= -0.265 X(o=-0.26,f=-0.56) USER MOD Single : A 105 HEC O2A : rot -111:sc= 0.63 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.643 10.230 3.456 1.00 0.00 N ATOM 2 CA GLY A 1 -11.524 10.247 4.911 1.00 0.00 C ATOM 3 C GLY A 1 -11.046 11.640 5.293 1.00 0.00 C ATOM 4 O GLY A 1 -11.393 12.572 4.572 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.644 10.137 3.191 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.262 11.116 3.066 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.107 9.425 3.073 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.482 10.024 5.381 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.818 9.489 5.251 1.00 0.00 H new ATOM 10 N ASP A 2 -10.258 11.769 6.353 1.00 0.00 N ATOM 11 CA ASP A 2 -9.759 13.036 6.896 1.00 0.00 C ATOM 12 C ASP A 2 -8.704 13.634 5.956 1.00 0.00 C ATOM 13 O ASP A 2 -8.536 14.849 5.918 1.00 0.00 O ATOM 14 CB ASP A 2 -9.132 12.812 8.291 1.00 0.00 C ATOM 15 CG ASP A 2 -9.621 13.698 9.437 1.00 0.00 C ATOM 16 OD1 ASP A 2 -10.831 14.003 9.457 1.00 0.00 O ATOM 17 OD2 ASP A 2 -8.774 13.982 10.327 1.00 0.00 O ATOM 0 H ASP A 2 -9.932 10.961 6.884 1.00 0.00 H new ATOM 0 HA ASP A 2 -10.598 13.726 6.986 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -9.303 11.773 8.573 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -8.054 12.945 8.200 1.00 0.00 H new ATOM 22 N VAL A 3 -7.953 12.767 5.256 1.00 0.00 N ATOM 23 CA VAL A 3 -6.820 13.073 4.385 1.00 0.00 C ATOM 24 C VAL A 3 -5.610 13.533 5.221 1.00 0.00 C ATOM 25 O VAL A 3 -4.642 14.090 4.696 1.00 0.00 O ATOM 26 CB VAL A 3 -7.273 14.052 3.285 1.00 0.00 C ATOM 27 CG1 VAL A 3 -6.219 14.318 2.200 1.00 0.00 C ATOM 28 CG2 VAL A 3 -8.581 13.623 2.603 1.00 0.00 C ATOM 0 H VAL A 3 -8.140 11.765 5.291 1.00 0.00 H new ATOM 0 HA VAL A 3 -6.471 12.182 3.863 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.434 14.981 3.832 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.620 15.017 1.466 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.326 14.744 2.657 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.961 13.381 1.705 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.849 14.352 1.838 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -8.447 12.645 2.141 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -9.377 13.567 3.345 1.00 0.00 H new ATOM 38 N GLU A 4 -5.662 13.230 6.524 1.00 0.00 N ATOM 39 CA GLU A 4 -4.735 13.624 7.569 1.00 0.00 C ATOM 40 C GLU A 4 -4.589 12.472 8.564 1.00 0.00 C ATOM 41 O GLU A 4 -3.475 12.112 8.938 1.00 0.00 O ATOM 42 CB GLU A 4 -5.285 14.865 8.283 1.00 0.00 C ATOM 43 CG GLU A 4 -5.091 16.159 7.474 1.00 0.00 C ATOM 44 CD GLU A 4 -3.619 16.459 7.239 1.00 0.00 C ATOM 45 OE1 GLU A 4 -2.899 16.675 8.239 1.00 0.00 O ATOM 46 OE2 GLU A 4 -3.134 16.351 6.085 1.00 0.00 O ATOM 0 H GLU A 4 -6.419 12.656 6.895 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.760 13.857 7.141 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.347 14.723 8.481 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -4.792 14.970 9.249 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.602 16.069 6.515 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.552 16.992 8.004 1.00 0.00 H new ATOM 53 N LYS A 5 -5.710 11.865 8.976 1.00 0.00 N ATOM 54 CA LYS A 5 -5.683 10.603 9.687 1.00 0.00 C ATOM 55 C LYS A 5 -4.930 9.602 8.833 1.00 0.00 C ATOM 56 O LYS A 5 -3.988 9.025 9.347 1.00 0.00 O ATOM 57 CB LYS A 5 -7.081 10.069 10.022 1.00 0.00 C ATOM 58 CG LYS A 5 -7.896 10.937 10.981 1.00 0.00 C ATOM 59 CD LYS A 5 -7.534 10.815 12.470 1.00 0.00 C ATOM 60 CE LYS A 5 -6.513 11.857 12.953 1.00 0.00 C ATOM 61 NZ LYS A 5 -6.974 13.251 12.723 1.00 0.00 N ATOM 0 H LYS A 5 -6.646 12.239 8.823 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.186 10.760 10.644 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.641 9.956 9.094 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.978 9.074 10.456 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -7.781 11.979 10.683 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.950 10.685 10.861 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.443 10.910 13.063 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -7.135 9.818 12.656 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -6.324 11.711 14.016 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -5.566 11.700 12.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -6.889 13.795 13.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -6.389 13.693 11.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -7.968 13.242 12.417 1.00 0.00 H new ATOM 75 N GLY A 6 -5.291 9.418 7.556 1.00 0.00 N ATOM 76 CA GLY A 6 -4.678 8.403 6.701 1.00 0.00 C ATOM 77 C GLY A 6 -3.166 8.337 6.900 1.00 0.00 C ATOM 78 O GLY A 6 -2.627 7.291 7.257 1.00 0.00 O ATOM 0 H GLY A 6 -6.014 9.968 7.092 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -5.117 7.429 6.920 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.899 8.625 5.657 1.00 0.00 H new ATOM 82 N LYS A 7 -2.490 9.476 6.737 1.00 0.00 N ATOM 83 CA LYS A 7 -1.037 9.533 6.816 1.00 0.00 C ATOM 84 C LYS A 7 -0.492 9.209 8.209 1.00 0.00 C ATOM 85 O LYS A 7 0.571 8.604 8.341 1.00 0.00 O ATOM 86 CB LYS A 7 -0.516 10.835 6.188 1.00 0.00 C ATOM 87 CG LYS A 7 -0.503 11.970 7.194 1.00 0.00 C ATOM 88 CD LYS A 7 -0.516 13.358 6.535 1.00 0.00 C ATOM 89 CE LYS A 7 -0.605 14.432 7.631 1.00 0.00 C ATOM 90 NZ LYS A 7 -0.807 15.793 7.094 1.00 0.00 N ATOM 0 H LYS A 7 -2.933 10.375 6.548 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.627 8.725 6.210 1.00 0.00 H new ATOM 0 HB2 LYS A 7 0.491 10.677 5.803 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.143 11.107 5.339 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.369 11.877 7.849 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.383 11.881 7.822 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.386 13.501 5.940 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.363 13.444 5.854 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.427 14.188 8.304 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.309 14.414 8.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.191 16.407 7.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.103 16.175 6.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.475 15.756 6.298 1.00 0.00 H new ATOM 104 N LYS A 8 -1.228 9.587 9.253 1.00 0.00 N ATOM 105 CA LYS A 8 -0.787 9.392 10.622 1.00 0.00 C ATOM 106 C LYS A 8 -0.961 7.927 10.993 1.00 0.00 C ATOM 107 O LYS A 8 -0.053 7.295 11.527 1.00 0.00 O ATOM 108 CB LYS A 8 -1.610 10.287 11.561 1.00 0.00 C ATOM 109 CG LYS A 8 -1.216 11.767 11.447 1.00 0.00 C ATOM 110 CD LYS A 8 -0.271 12.212 12.576 1.00 0.00 C ATOM 111 CE LYS A 8 1.040 11.408 12.611 1.00 0.00 C ATOM 112 NZ LYS A 8 1.955 11.873 13.674 1.00 0.00 N ATOM 0 H LYS A 8 -2.141 10.034 9.169 1.00 0.00 H new ATOM 0 HA LYS A 8 0.264 9.663 10.719 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -2.669 10.176 11.329 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.472 9.955 12.590 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.734 11.938 10.485 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.116 12.382 11.467 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.039 13.270 12.453 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.782 12.107 13.533 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.813 10.353 12.766 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.539 11.488 11.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.824 11.302 13.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.195 12.872 13.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.491 11.773 14.600 1.00 0.00 H new ATOM 126 N ILE A 9 -2.149 7.401 10.704 1.00 0.00 N ATOM 127 CA ILE A 9 -2.576 6.084 11.117 1.00 0.00 C ATOM 128 C ILE A 9 -1.769 5.067 10.318 1.00 0.00 C ATOM 129 O ILE A 9 -1.329 4.061 10.869 1.00 0.00 O ATOM 130 CB ILE A 9 -4.114 5.994 10.994 1.00 0.00 C ATOM 131 CG1 ILE A 9 -4.767 5.742 12.358 1.00 0.00 C ATOM 132 CG2 ILE A 9 -4.588 4.922 10.018 1.00 0.00 C ATOM 133 CD1 ILE A 9 -4.620 6.921 13.325 1.00 0.00 C ATOM 0 H ILE A 9 -2.854 7.900 10.161 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.375 5.865 12.166 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.423 6.962 10.600 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -5.826 5.530 12.213 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.323 4.854 12.808 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.677 4.917 9.984 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.195 5.135 9.024 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.231 3.946 10.348 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.104 6.678 14.271 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.562 7.120 13.499 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -5.089 7.806 12.894 1.00 0.00 H new ATOM 145 N PHE A 10 -1.520 5.380 9.042 1.00 0.00 N ATOM 146 CA PHE A 10 -0.552 4.677 8.228 1.00 0.00 C ATOM 147 C PHE A 10 0.765 4.560 8.979 1.00 0.00 C ATOM 148 O PHE A 10 1.138 3.465 9.377 1.00 0.00 O ATOM 149 CB PHE A 10 -0.370 5.417 6.893 1.00 0.00 C ATOM 150 CG PHE A 10 0.833 4.990 6.079 1.00 0.00 C ATOM 151 CD1 PHE A 10 0.750 3.891 5.223 1.00 0.00 C ATOM 152 CD2 PHE A 10 2.078 5.597 6.295 1.00 0.00 C ATOM 153 CE1 PHE A 10 1.911 3.370 4.632 1.00 0.00 C ATOM 154 CE2 PHE A 10 3.245 5.062 5.748 1.00 0.00 C ATOM 155 CZ PHE A 10 3.161 3.946 4.903 1.00 0.00 C ATOM 0 H PHE A 10 -1.995 6.137 8.551 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.909 3.669 8.015 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.267 5.272 6.290 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.291 6.485 7.096 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.209 3.441 5.015 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.135 6.493 6.895 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.842 2.523 3.966 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.204 5.504 5.973 1.00 0.00 H new ATOM 0 HZ PHE A 10 4.056 3.531 4.462 1.00 0.00 H new ATOM 165 N VAL A 11 1.472 5.669 9.210 1.00 0.00 N ATOM 166 CA VAL A 11 2.770 5.614 9.851 1.00 0.00 C ATOM 167 C VAL A 11 2.680 4.825 11.169 1.00 0.00 C ATOM 168 O VAL A 11 3.559 4.021 11.472 1.00 0.00 O ATOM 169 CB VAL A 11 3.336 7.042 9.993 1.00 0.00 C ATOM 170 CG1 VAL A 11 4.425 7.097 11.061 1.00 0.00 C ATOM 171 CG2 VAL A 11 3.923 7.598 8.687 1.00 0.00 C ATOM 0 H VAL A 11 1.161 6.608 8.961 1.00 0.00 H new ATOM 0 HA VAL A 11 3.484 5.066 9.236 1.00 0.00 H new ATOM 0 HB VAL A 11 2.484 7.659 10.277 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.806 8.115 11.140 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.009 6.790 12.021 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.238 6.425 10.786 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.303 8.605 8.859 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.737 6.955 8.351 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.146 7.629 7.923 1.00 0.00 H new ATOM 181 N GLN A 12 1.589 5.002 11.921 1.00 0.00 N ATOM 182 CA GLN A 12 1.346 4.289 13.167 1.00 0.00 C ATOM 183 C GLN A 12 1.370 2.754 13.028 1.00 0.00 C ATOM 184 O GLN A 12 1.698 2.098 14.014 1.00 0.00 O ATOM 185 CB GLN A 12 0.030 4.771 13.810 1.00 0.00 C ATOM 186 CG GLN A 12 0.191 5.268 15.250 1.00 0.00 C ATOM 187 CD GLN A 12 0.849 6.645 15.314 1.00 0.00 C ATOM 188 OE1 GLN A 12 0.219 7.659 15.024 1.00 0.00 O ATOM 189 NE2 GLN A 12 2.114 6.705 15.716 1.00 0.00 N ATOM 0 H GLN A 12 0.844 5.654 11.674 1.00 0.00 H new ATOM 0 HA GLN A 12 2.181 4.530 13.825 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.387 5.574 13.203 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.691 3.954 13.796 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.787 5.312 15.729 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.791 4.554 15.814 1.00 0.00 H new ATOM 0 HE21 GLN A 12 2.616 5.849 15.951 1.00 0.00 H new ATOM 0 HE22 GLN A 12 2.584 7.608 15.790 1.00 0.00 H new ATOM 198 N LYS A 13 0.979 2.167 11.883 1.00 0.00 N ATOM 199 CA LYS A 13 0.948 0.703 11.720 1.00 0.00 C ATOM 200 C LYS A 13 1.397 0.142 10.358 1.00 0.00 C ATOM 201 O LYS A 13 1.202 -1.045 10.095 1.00 0.00 O ATOM 202 CB LYS A 13 -0.432 0.157 12.097 1.00 0.00 C ATOM 203 CG LYS A 13 -1.588 0.808 11.333 1.00 0.00 C ATOM 204 CD LYS A 13 -2.396 1.663 12.311 1.00 0.00 C ATOM 205 CE LYS A 13 -3.242 0.791 13.259 1.00 0.00 C ATOM 206 NZ LYS A 13 -3.274 1.331 14.632 1.00 0.00 N ATOM 0 H LYS A 13 0.680 2.685 11.057 1.00 0.00 H new ATOM 0 HA LYS A 13 1.715 0.347 12.408 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.449 -0.918 11.915 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.589 0.301 13.166 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.205 1.423 10.519 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.223 0.044 10.884 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.719 2.287 12.895 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.049 2.336 11.754 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.259 0.720 12.874 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.837 -0.221 13.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -3.854 0.713 15.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -2.306 1.375 15.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.684 2.287 14.620 1.00 0.00 H new ATOM 220 N CYS A 14 1.985 0.962 9.490 1.00 0.00 N ATOM 221 CA CYS A 14 2.381 0.574 8.141 1.00 0.00 C ATOM 222 C CYS A 14 3.877 0.873 7.965 1.00 0.00 C ATOM 223 O CYS A 14 4.611 0.044 7.438 1.00 0.00 O ATOM 224 CB CYS A 14 1.572 1.306 7.094 1.00 0.00 C ATOM 225 SG CYS A 14 -0.258 1.257 7.208 1.00 0.00 S ATOM 0 H CYS A 14 2.203 1.934 9.710 1.00 0.00 H new ATOM 0 HA CYS A 14 2.192 -0.491 8.008 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.877 2.352 7.111 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.854 0.908 6.119 1.00 0.00 H new ATOM 230 N ALA A 15 4.348 2.040 8.431 1.00 0.00 N ATOM 231 CA ALA A 15 5.735 2.496 8.274 1.00 0.00 C ATOM 232 C ALA A 15 6.786 1.512 8.770 1.00 0.00 C ATOM 233 O ALA A 15 7.871 1.446 8.197 1.00 0.00 O ATOM 234 CB ALA A 15 5.946 3.837 8.954 1.00 0.00 C ATOM 0 H ALA A 15 3.763 2.705 8.937 1.00 0.00 H new ATOM 0 HA ALA A 15 5.876 2.586 7.197 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.981 4.152 8.823 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.282 4.579 8.510 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.727 3.744 10.018 1.00 0.00 H new ATOM 240 N GLN A 16 6.470 0.747 9.818 1.00 0.00 N ATOM 241 CA GLN A 16 7.274 -0.376 10.278 1.00 0.00 C ATOM 242 C GLN A 16 7.835 -1.184 9.098 1.00 0.00 C ATOM 243 O GLN A 16 9.004 -1.571 9.099 1.00 0.00 O ATOM 244 CB GLN A 16 6.419 -1.231 11.226 1.00 0.00 C ATOM 245 CG GLN A 16 5.126 -1.776 10.595 1.00 0.00 C ATOM 246 CD GLN A 16 4.199 -2.358 11.654 1.00 0.00 C ATOM 247 OE1 GLN A 16 3.485 -1.622 12.327 1.00 0.00 O ATOM 248 NE2 GLN A 16 4.203 -3.677 11.824 1.00 0.00 N ATOM 0 H GLN A 16 5.631 0.898 10.378 1.00 0.00 H new ATOM 0 HA GLN A 16 8.144 -0.012 10.825 1.00 0.00 H new ATOM 0 HB2 GLN A 16 7.018 -2.070 11.580 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.159 -0.634 12.100 1.00 0.00 H new ATOM 0 HG2 GLN A 16 4.614 -0.976 10.060 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.372 -2.544 9.861 1.00 0.00 H new ATOM 0 HE21 GLN A 16 4.808 -4.263 11.249 1.00 0.00 H new ATOM 0 HE22 GLN A 16 3.601 -4.102 12.529 1.00 0.00 H new ATOM 257 N CYS A 17 6.991 -1.399 8.087 1.00 0.00 N ATOM 258 CA CYS A 17 7.330 -2.044 6.836 1.00 0.00 C ATOM 259 C CYS A 17 7.652 -0.998 5.749 1.00 0.00 C ATOM 260 O CYS A 17 8.594 -1.204 4.985 1.00 0.00 O ATOM 261 CB CYS A 17 6.208 -2.979 6.447 1.00 0.00 C ATOM 262 SG CYS A 17 6.062 -4.379 7.616 1.00 0.00 S ATOM 0 H CYS A 17 6.013 -1.113 8.129 1.00 0.00 H new ATOM 0 HA CYS A 17 8.236 -2.640 6.952 1.00 0.00 H new ATOM 0 HB2 CYS A 17 5.268 -2.428 6.419 1.00 0.00 H new ATOM 0 HB3 CYS A 17 6.384 -3.361 5.441 1.00 0.00 H new ATOM 267 N HIS A 18 6.909 0.120 5.671 1.00 0.00 N ATOM 268 CA HIS A 18 6.889 1.030 4.522 1.00 0.00 C ATOM 269 C HIS A 18 7.273 2.467 4.886 1.00 0.00 C ATOM 270 O HIS A 18 6.397 3.310 5.053 1.00 0.00 O ATOM 271 CB HIS A 18 5.465 1.076 3.963 1.00 0.00 C ATOM 272 CG HIS A 18 5.018 -0.180 3.294 1.00 0.00 C ATOM 273 ND1 HIS A 18 5.245 -0.474 1.973 1.00 0.00 N ATOM 274 CD2 HIS A 18 4.012 -0.989 3.743 1.00 0.00 C ATOM 275 CE1 HIS A 18 4.401 -1.457 1.640 1.00 0.00 C ATOM 276 NE2 HIS A 18 3.639 -1.817 2.678 1.00 0.00 N ATOM 0 H HIS A 18 6.292 0.419 6.426 1.00 0.00 H new ATOM 0 HA HIS A 18 7.617 0.650 3.805 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.777 1.303 4.777 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.396 1.897 3.249 1.00 0.00 H new ATOM 0 HD1 HIS A 18 5.928 -0.028 1.361 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.585 -0.989 4.735 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.343 -1.903 0.658 1.00 0.00 H new ATOM 284 N THR A 19 8.558 2.805 4.946 1.00 0.00 N ATOM 285 CA THR A 19 8.963 4.146 5.370 1.00 0.00 C ATOM 286 C THR A 19 8.856 5.211 4.252 1.00 0.00 C ATOM 287 O THR A 19 9.798 5.970 4.005 1.00 0.00 O ATOM 288 CB THR A 19 10.346 4.069 6.027 1.00 0.00 C ATOM 289 OG1 THR A 19 11.333 3.616 5.120 1.00 0.00 O ATOM 290 CG2 THR A 19 10.360 3.132 7.238 1.00 0.00 C ATOM 0 H THR A 19 9.329 2.180 4.710 1.00 0.00 H new ATOM 0 HA THR A 19 8.252 4.502 6.116 1.00 0.00 H new ATOM 0 HB THR A 19 10.571 5.086 6.348 1.00 0.00 H new ATOM 0 HG1 THR A 19 12.202 3.581 5.572 1.00 0.00 H new ATOM 0 HG21 THR A 19 11.361 3.110 7.670 1.00 0.00 H new ATOM 0 HG22 THR A 19 9.651 3.491 7.984 1.00 0.00 H new ATOM 0 HG23 THR A 19 10.079 2.127 6.924 1.00 0.00 H new ATOM 298 N VAL A 20 7.694 5.299 3.588 1.00 0.00 N ATOM 299 CA VAL A 20 7.360 6.313 2.601 1.00 0.00 C ATOM 300 C VAL A 20 7.180 7.670 3.296 1.00 0.00 C ATOM 301 O VAL A 20 6.064 8.123 3.557 1.00 0.00 O ATOM 302 CB VAL A 20 6.143 5.856 1.779 1.00 0.00 C ATOM 303 CG1 VAL A 20 4.839 5.774 2.579 1.00 0.00 C ATOM 304 CG2 VAL A 20 5.966 6.776 0.569 1.00 0.00 C ATOM 0 H VAL A 20 6.936 4.633 3.737 1.00 0.00 H new ATOM 0 HA VAL A 20 8.172 6.445 1.886 1.00 0.00 H new ATOM 0 HB VAL A 20 6.355 4.836 1.458 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.031 5.445 1.925 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.958 5.063 3.396 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.599 6.757 2.985 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.103 6.451 -0.012 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.809 7.799 0.910 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.860 6.734 -0.054 1.00 0.00 H new ATOM 314 N GLU A 21 8.310 8.292 3.622 1.00 0.00 N ATOM 315 CA GLU A 21 8.390 9.571 4.303 1.00 0.00 C ATOM 316 C GLU A 21 9.833 10.061 4.233 1.00 0.00 C ATOM 317 O GLU A 21 10.091 11.227 3.949 1.00 0.00 O ATOM 318 CB GLU A 21 7.888 9.452 5.753 1.00 0.00 C ATOM 319 CG GLU A 21 8.407 8.221 6.519 1.00 0.00 C ATOM 320 CD GLU A 21 7.904 8.210 7.955 1.00 0.00 C ATOM 321 OE1 GLU A 21 8.171 9.215 8.649 1.00 0.00 O ATOM 322 OE2 GLU A 21 7.281 7.196 8.334 1.00 0.00 O ATOM 0 H GLU A 21 9.227 7.900 3.409 1.00 0.00 H new ATOM 0 HA GLU A 21 7.744 10.300 3.814 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.179 10.350 6.298 1.00 0.00 H new ATOM 0 HB3 GLU A 21 6.798 9.424 5.744 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.084 7.312 6.012 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.497 8.220 6.513 1.00 0.00 H new ATOM 329 N LYS A 22 10.786 9.160 4.492 1.00 0.00 N ATOM 330 CA LYS A 22 12.195 9.475 4.445 1.00 0.00 C ATOM 331 C LYS A 22 13.001 8.179 4.375 1.00 0.00 C ATOM 332 O LYS A 22 12.926 7.346 5.276 1.00 0.00 O ATOM 333 CB LYS A 22 12.567 10.358 5.644 1.00 0.00 C ATOM 334 CG LYS A 22 11.962 9.907 6.986 1.00 0.00 C ATOM 335 CD LYS A 22 12.641 10.596 8.176 1.00 0.00 C ATOM 336 CE LYS A 22 12.339 12.102 8.222 1.00 0.00 C ATOM 337 NZ LYS A 22 13.132 12.793 9.257 1.00 0.00 N ATOM 0 H LYS A 22 10.588 8.191 4.740 1.00 0.00 H new ATOM 0 HA LYS A 22 12.435 10.048 3.549 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.653 10.380 5.739 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.244 11.379 5.440 1.00 0.00 H new ATOM 0 HG2 LYS A 22 10.895 10.130 6.997 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.063 8.826 7.086 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.306 10.131 9.103 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.719 10.445 8.115 1.00 0.00 H new ATOM 0 HE2 LYS A 22 12.550 12.544 7.248 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.277 12.253 8.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 12.898 13.806 9.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.912 12.389 10.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 14.145 12.671 9.057 1.00 0.00 H new ATOM 351 N GLY A 23 13.754 7.995 3.288 1.00 0.00 N ATOM 352 CA GLY A 23 14.605 6.834 3.086 1.00 0.00 C ATOM 353 C GLY A 23 13.887 5.787 2.245 1.00 0.00 C ATOM 354 O GLY A 23 14.379 5.413 1.181 1.00 0.00 O ATOM 0 H GLY A 23 13.786 8.661 2.516 1.00 0.00 H new ATOM 0 HA2 GLY A 23 15.529 7.134 2.592 1.00 0.00 H new ATOM 0 HA3 GLY A 23 14.883 6.407 4.050 1.00 0.00 H new ATOM 358 N GLY A 24 12.724 5.323 2.707 1.00 0.00 N ATOM 359 CA GLY A 24 12.028 4.230 2.058 1.00 0.00 C ATOM 360 C GLY A 24 12.588 2.892 2.533 1.00 0.00 C ATOM 361 O GLY A 24 13.747 2.783 2.931 1.00 0.00 O ATOM 0 H GLY A 24 12.250 5.694 3.531 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.962 4.286 2.279 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.134 4.313 0.976 1.00 0.00 H new ATOM 365 N LYS A 25 11.744 1.860 2.497 1.00 0.00 N ATOM 366 CA LYS A 25 12.137 0.476 2.701 1.00 0.00 C ATOM 367 C LYS A 25 11.828 -0.301 1.425 1.00 0.00 C ATOM 368 O LYS A 25 11.355 0.268 0.448 1.00 0.00 O ATOM 369 CB LYS A 25 11.402 -0.092 3.928 1.00 0.00 C ATOM 370 CG LYS A 25 12.196 0.120 5.222 1.00 0.00 C ATOM 371 CD LYS A 25 13.342 -0.903 5.333 1.00 0.00 C ATOM 372 CE LYS A 25 14.220 -0.677 6.572 1.00 0.00 C ATOM 373 NZ LYS A 25 13.473 -0.850 7.837 1.00 0.00 N ATOM 0 H LYS A 25 10.746 1.972 2.321 1.00 0.00 H new ATOM 0 HA LYS A 25 13.205 0.393 2.903 1.00 0.00 H new ATOM 0 HB2 LYS A 25 10.426 0.385 4.019 1.00 0.00 H new ATOM 0 HB3 LYS A 25 11.223 -1.157 3.783 1.00 0.00 H new ATOM 0 HG2 LYS A 25 12.602 1.131 5.244 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.532 0.024 6.081 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.924 -1.909 5.368 1.00 0.00 H new ATOM 0 HD3 LYS A 25 13.962 -0.847 4.438 1.00 0.00 H new ATOM 0 HE2 LYS A 25 15.058 -1.374 6.551 1.00 0.00 H new ATOM 0 HE3 LYS A 25 14.640 0.328 6.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 14.122 -0.737 8.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.720 -0.135 7.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.051 -1.800 7.864 1.00 0.00 H new ATOM 387 N HIS A 26 12.130 -1.596 1.436 1.00 0.00 N ATOM 388 CA HIS A 26 11.718 -2.540 0.409 1.00 0.00 C ATOM 389 C HIS A 26 11.634 -3.925 1.014 1.00 0.00 C ATOM 390 O HIS A 26 10.642 -4.615 0.833 1.00 0.00 O ATOM 391 CB HIS A 26 12.664 -2.553 -0.787 1.00 0.00 C ATOM 392 CG HIS A 26 12.499 -1.383 -1.724 1.00 0.00 C ATOM 393 ND1 HIS A 26 13.250 -0.228 -1.724 1.00 0.00 N ATOM 394 CD2 HIS A 26 11.503 -1.223 -2.651 1.00 0.00 C ATOM 395 CE1 HIS A 26 12.710 0.605 -2.630 1.00 0.00 C ATOM 396 NE2 HIS A 26 11.646 0.042 -3.225 1.00 0.00 N ATOM 0 H HIS A 26 12.682 -2.026 2.179 1.00 0.00 H new ATOM 0 HA HIS A 26 10.742 -2.224 0.039 1.00 0.00 H new ATOM 0 HB2 HIS A 26 13.691 -2.569 -0.422 1.00 0.00 H new ATOM 0 HB3 HIS A 26 12.510 -3.476 -1.347 1.00 0.00 H new ATOM 0 HD2 HIS A 26 10.741 -1.948 -2.895 1.00 0.00 H new ATOM 0 HE1 HIS A 26 13.082 1.595 -2.850 1.00 0.00 H new ATOM 0 HE2 HIS A 26 11.060 0.455 -3.950 1.00 0.00 H new ATOM 404 N LYS A 27 12.689 -4.298 1.740 1.00 0.00 N ATOM 405 CA LYS A 27 12.936 -5.641 2.255 1.00 0.00 C ATOM 406 C LYS A 27 11.660 -6.369 2.701 1.00 0.00 C ATOM 407 O LYS A 27 11.444 -7.518 2.321 1.00 0.00 O ATOM 408 CB LYS A 27 13.966 -5.586 3.395 1.00 0.00 C ATOM 409 CG LYS A 27 14.719 -6.921 3.479 1.00 0.00 C ATOM 410 CD LYS A 27 15.654 -7.011 4.694 1.00 0.00 C ATOM 411 CE LYS A 27 14.876 -7.268 5.994 1.00 0.00 C ATOM 412 NZ LYS A 27 15.773 -7.600 7.121 1.00 0.00 N ATOM 0 H LYS A 27 13.426 -3.641 1.995 1.00 0.00 H new ATOM 0 HA LYS A 27 13.338 -6.227 1.429 1.00 0.00 H new ATOM 0 HB2 LYS A 27 14.669 -4.771 3.223 1.00 0.00 H new ATOM 0 HB3 LYS A 27 13.465 -5.380 4.341 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.997 -7.736 3.523 1.00 0.00 H new ATOM 0 HG3 LYS A 27 15.302 -7.060 2.569 1.00 0.00 H new ATOM 0 HD2 LYS A 27 16.377 -7.812 4.538 1.00 0.00 H new ATOM 0 HD3 LYS A 27 16.220 -6.084 4.786 1.00 0.00 H new ATOM 0 HE2 LYS A 27 14.289 -6.384 6.246 1.00 0.00 H new ATOM 0 HE3 LYS A 27 14.171 -8.085 5.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 15.207 -7.766 7.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 16.315 -8.458 6.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 16.429 -6.810 7.287 1.00 0.00 H new ATOM 426 N THR A 28 10.833 -5.694 3.505 1.00 0.00 N ATOM 427 CA THR A 28 9.555 -6.217 3.967 1.00 0.00 C ATOM 428 C THR A 28 8.424 -5.234 3.647 1.00 0.00 C ATOM 429 O THR A 28 7.385 -5.297 4.286 1.00 0.00 O ATOM 430 CB THR A 28 9.624 -6.516 5.479 1.00 0.00 C ATOM 431 OG1 THR A 28 10.932 -6.909 5.865 1.00 0.00 O ATOM 432 CG2 THR A 28 8.662 -7.644 5.877 1.00 0.00 C ATOM 0 H THR A 28 11.040 -4.758 3.854 1.00 0.00 H new ATOM 0 HA THR A 28 9.342 -7.149 3.443 1.00 0.00 H new ATOM 0 HB THR A 28 9.342 -5.593 5.985 1.00 0.00 H new ATOM 0 HG1 THR A 28 10.948 -7.091 6.828 1.00 0.00 H new ATOM 0 HG21 THR A 28 8.739 -7.826 6.949 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.640 -7.355 5.630 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.923 -8.553 5.335 1.00 0.00 H new ATOM 440 N GLY A 29 8.586 -4.338 2.670 1.00 0.00 N ATOM 441 CA GLY A 29 7.585 -3.318 2.401 1.00 0.00 C ATOM 442 C GLY A 29 8.129 -2.308 1.390 1.00 0.00 C ATOM 443 O GLY A 29 8.996 -1.516 1.756 1.00 0.00 O ATOM 0 H GLY A 29 9.400 -4.303 2.057 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.677 -3.780 2.014 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.314 -2.809 3.326 1.00 0.00 H new ATOM 447 N PRO A 30 7.678 -2.324 0.125 1.00 0.00 N ATOM 448 CA PRO A 30 8.132 -1.384 -0.888 1.00 0.00 C ATOM 449 C PRO A 30 7.860 0.048 -0.457 1.00 0.00 C ATOM 450 O PRO A 30 6.721 0.400 -0.159 1.00 0.00 O ATOM 451 CB PRO A 30 7.397 -1.725 -2.186 1.00 0.00 C ATOM 452 CG PRO A 30 6.219 -2.580 -1.729 1.00 0.00 C ATOM 453 CD PRO A 30 6.679 -3.219 -0.423 1.00 0.00 C ATOM 0 HA PRO A 30 9.209 -1.465 -1.034 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.061 -0.826 -2.703 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.040 -2.269 -2.878 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.326 -1.974 -1.579 1.00 0.00 H new ATOM 0 HG3 PRO A 30 5.969 -3.337 -2.472 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.844 -3.342 0.267 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.097 -4.210 -0.599 1.00 0.00 H new ATOM 461 N ASN A 31 8.898 0.884 -0.454 1.00 0.00 N ATOM 462 CA ASN A 31 8.734 2.330 -0.443 1.00 0.00 C ATOM 463 C ASN A 31 7.671 2.716 -1.475 1.00 0.00 C ATOM 464 O ASN A 31 7.870 2.483 -2.666 1.00 0.00 O ATOM 465 CB ASN A 31 10.064 3.003 -0.798 1.00 0.00 C ATOM 466 CG ASN A 31 9.946 4.524 -0.771 1.00 0.00 C ATOM 467 OD1 ASN A 31 8.969 5.071 -0.275 1.00 0.00 O ATOM 468 ND2 ASN A 31 10.950 5.226 -1.288 1.00 0.00 N ATOM 0 H ASN A 31 9.870 0.576 -0.459 1.00 0.00 H new ATOM 0 HA ASN A 31 8.423 2.658 0.549 1.00 0.00 H new ATOM 0 HB2 ASN A 31 10.833 2.684 -0.095 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.384 2.679 -1.789 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.918 6.245 -1.278 1.00 0.00 H new ATOM 0 HD22 ASN A 31 11.752 4.745 -1.695 1.00 0.00 H new ATOM 475 N LEU A 32 6.548 3.288 -1.032 1.00 0.00 N ATOM 476 CA LEU A 32 5.388 3.557 -1.875 1.00 0.00 C ATOM 477 C LEU A 32 5.608 4.828 -2.711 1.00 0.00 C ATOM 478 O LEU A 32 4.770 5.728 -2.754 1.00 0.00 O ATOM 479 CB LEU A 32 4.122 3.632 -1.001 1.00 0.00 C ATOM 480 CG LEU A 32 3.900 2.416 -0.085 1.00 0.00 C ATOM 481 CD1 LEU A 32 2.671 2.651 0.797 1.00 0.00 C ATOM 482 CD2 LEU A 32 3.687 1.128 -0.883 1.00 0.00 C ATOM 0 H LEU A 32 6.421 3.580 -0.063 1.00 0.00 H new ATOM 0 HA LEU A 32 5.251 2.741 -2.585 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.175 4.529 -0.384 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.254 3.743 -1.651 1.00 0.00 H new ATOM 0 HG LEU A 32 4.797 2.301 0.523 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.517 1.788 1.444 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.827 3.540 1.409 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.793 2.793 0.167 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.534 0.295 -0.196 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.811 1.237 -1.522 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.564 0.933 -1.500 1.00 0.00 H new ATOM 494 N HIS A 33 6.751 4.889 -3.393 1.00 0.00 N ATOM 495 CA HIS A 33 7.219 6.021 -4.162 1.00 0.00 C ATOM 496 C HIS A 33 6.730 5.825 -5.594 1.00 0.00 C ATOM 497 O HIS A 33 7.425 5.223 -6.417 1.00 0.00 O ATOM 498 CB HIS A 33 8.748 6.069 -4.030 1.00 0.00 C ATOM 499 CG HIS A 33 9.398 7.364 -4.441 1.00 0.00 C ATOM 500 ND1 HIS A 33 10.502 7.483 -5.255 1.00 0.00 N ATOM 501 CD2 HIS A 33 9.187 8.585 -3.854 1.00 0.00 C ATOM 502 CE1 HIS A 33 10.930 8.754 -5.176 1.00 0.00 C ATOM 503 NE2 HIS A 33 10.162 9.461 -4.334 1.00 0.00 N ATOM 0 H HIS A 33 7.403 4.105 -3.420 1.00 0.00 H new ATOM 0 HA HIS A 33 6.836 6.980 -3.812 1.00 0.00 H new ATOM 0 HB2 HIS A 33 9.011 5.865 -2.992 1.00 0.00 H new ATOM 0 HB3 HIS A 33 9.172 5.264 -4.631 1.00 0.00 H new ATOM 0 HD2 HIS A 33 8.407 8.826 -3.147 1.00 0.00 H new ATOM 0 HE1 HIS A 33 11.776 9.152 -5.716 1.00 0.00 H new ATOM 0 HE2 HIS A 33 10.269 10.446 -4.092 1.00 0.00 H new ATOM 511 N GLY A 34 5.502 6.276 -5.865 1.00 0.00 N ATOM 512 CA GLY A 34 4.847 6.134 -7.157 1.00 0.00 C ATOM 513 C GLY A 34 3.923 4.919 -7.145 1.00 0.00 C ATOM 514 O GLY A 34 4.371 3.823 -7.472 1.00 0.00 O ATOM 0 H GLY A 34 4.928 6.759 -5.174 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.275 7.034 -7.384 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.595 6.025 -7.943 1.00 0.00 H new ATOM 518 N LEU A 35 2.651 5.104 -6.780 1.00 0.00 N ATOM 519 CA LEU A 35 1.638 4.045 -6.746 1.00 0.00 C ATOM 520 C LEU A 35 0.624 4.252 -7.862 1.00 0.00 C ATOM 521 O LEU A 35 0.453 3.396 -8.725 1.00 0.00 O ATOM 522 CB LEU A 35 0.918 4.050 -5.390 1.00 0.00 C ATOM 523 CG LEU A 35 1.438 2.977 -4.427 1.00 0.00 C ATOM 524 CD1 LEU A 35 2.965 2.961 -4.319 1.00 0.00 C ATOM 525 CD2 LEU A 35 0.813 3.259 -3.059 1.00 0.00 C ATOM 0 H LEU A 35 2.289 6.014 -6.494 1.00 0.00 H new ATOM 0 HA LEU A 35 2.133 3.084 -6.887 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.034 5.030 -4.928 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.149 3.898 -5.552 1.00 0.00 H new ATOM 0 HG LEU A 35 1.157 1.994 -4.805 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.272 2.181 -3.623 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.397 2.763 -5.300 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.314 3.928 -3.957 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.158 2.515 -2.341 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.108 4.253 -2.722 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.273 3.210 -3.138 1.00 0.00 H new ATOM 537 N PHE A 36 -0.061 5.393 -7.828 1.00 0.00 N ATOM 538 CA PHE A 36 -1.186 5.678 -8.701 1.00 0.00 C ATOM 539 C PHE A 36 -0.690 5.827 -10.137 1.00 0.00 C ATOM 540 O PHE A 36 -0.280 6.916 -10.531 1.00 0.00 O ATOM 541 CB PHE A 36 -1.926 6.917 -8.184 1.00 0.00 C ATOM 542 CG PHE A 36 -2.675 6.662 -6.883 1.00 0.00 C ATOM 543 CD1 PHE A 36 -1.989 6.622 -5.651 1.00 0.00 C ATOM 544 CD2 PHE A 36 -4.038 6.317 -6.924 1.00 0.00 C ATOM 545 CE1 PHE A 36 -2.648 6.193 -4.486 1.00 0.00 C ATOM 546 CE2 PHE A 36 -4.701 5.926 -5.750 1.00 0.00 C ATOM 547 CZ PHE A 36 -4.007 5.850 -4.536 1.00 0.00 C ATOM 0 H PHE A 36 0.157 6.153 -7.183 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.901 4.855 -8.698 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.210 7.724 -8.032 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.632 7.255 -8.943 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.953 6.922 -5.603 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.575 6.353 -7.860 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.108 6.128 -3.553 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.753 5.682 -5.783 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.517 5.528 -3.640 1.00 0.00 H new ATOM 557 N GLY A 37 -0.716 4.729 -10.901 1.00 0.00 N ATOM 558 CA GLY A 37 -0.161 4.669 -12.252 1.00 0.00 C ATOM 559 C GLY A 37 1.042 3.721 -12.368 1.00 0.00 C ATOM 560 O GLY A 37 1.660 3.641 -13.428 1.00 0.00 O ATOM 0 H GLY A 37 -1.128 3.849 -10.592 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.939 4.346 -12.944 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.142 5.670 -12.559 1.00 0.00 H new ATOM 564 N ARG A 38 1.391 2.995 -11.302 1.00 0.00 N ATOM 565 CA ARG A 38 2.573 2.149 -11.240 1.00 0.00 C ATOM 566 C ARG A 38 2.221 0.733 -11.682 1.00 0.00 C ATOM 567 O ARG A 38 1.573 -0.002 -10.935 1.00 0.00 O ATOM 568 CB ARG A 38 3.097 2.155 -9.801 1.00 0.00 C ATOM 569 CG ARG A 38 4.409 1.391 -9.593 1.00 0.00 C ATOM 570 CD ARG A 38 5.585 2.091 -10.285 1.00 0.00 C ATOM 571 NE ARG A 38 6.876 1.642 -9.738 1.00 0.00 N ATOM 572 CZ ARG A 38 7.493 2.202 -8.682 1.00 0.00 C ATOM 573 NH1 ARG A 38 6.863 3.113 -7.942 1.00 0.00 N ATOM 574 NH2 ARG A 38 8.744 1.855 -8.373 1.00 0.00 N ATOM 0 H ARG A 38 0.843 2.983 -10.442 1.00 0.00 H new ATOM 0 HA ARG A 38 3.346 2.527 -11.909 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.240 3.188 -9.486 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.335 1.726 -9.150 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.614 1.303 -8.526 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.307 0.378 -9.983 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.552 1.889 -11.356 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.492 3.170 -10.162 1.00 0.00 H new ATOM 0 HE ARG A 38 7.334 0.851 -10.191 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.909 3.388 -8.175 1.00 0.00 H new ATOM 0 HH12 ARG A 38 7.335 3.535 -7.142 1.00 0.00 H new ATOM 0 HH21 ARG A 38 9.236 1.163 -8.938 1.00 0.00 H new ATOM 0 HH22 ARG A 38 9.208 2.282 -7.571 1.00 0.00 H new ATOM 588 N LYS A 39 2.675 0.352 -12.882 1.00 0.00 N ATOM 589 CA LYS A 39 2.535 -0.997 -13.416 1.00 0.00 C ATOM 590 C LYS A 39 3.000 -2.021 -12.372 1.00 0.00 C ATOM 591 O LYS A 39 4.195 -2.192 -12.137 1.00 0.00 O ATOM 592 CB LYS A 39 3.263 -1.107 -14.771 1.00 0.00 C ATOM 593 CG LYS A 39 4.797 -1.117 -14.678 1.00 0.00 C ATOM 594 CD LYS A 39 5.448 -0.773 -16.023 1.00 0.00 C ATOM 595 CE LYS A 39 6.954 -1.079 -15.965 1.00 0.00 C ATOM 596 NZ LYS A 39 7.673 -0.614 -17.170 1.00 0.00 N ATOM 0 H LYS A 39 3.158 0.988 -13.516 1.00 0.00 H new ATOM 0 HA LYS A 39 1.488 -1.222 -13.618 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.937 -2.020 -15.270 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.956 -0.272 -15.401 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.121 -0.401 -13.923 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.136 -2.100 -14.350 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.981 -1.349 -16.822 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.290 0.280 -16.255 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.384 -0.604 -15.083 1.00 0.00 H new ATOM 0 HE3 LYS A 39 7.099 -2.153 -15.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.683 -0.844 -17.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.283 -1.086 -18.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.559 0.415 -17.267 1.00 0.00 H new ATOM 610 N THR A 40 2.054 -2.648 -11.682 1.00 0.00 N ATOM 611 CA THR A 40 2.324 -3.556 -10.601 1.00 0.00 C ATOM 612 C THR A 40 2.824 -4.889 -11.166 1.00 0.00 C ATOM 613 O THR A 40 2.693 -5.155 -12.361 1.00 0.00 O ATOM 614 CB THR A 40 0.993 -3.683 -9.866 1.00 0.00 C ATOM 615 OG1 THR A 40 0.443 -2.393 -9.619 1.00 0.00 O ATOM 616 CG2 THR A 40 1.118 -4.491 -8.585 1.00 0.00 C ATOM 0 H THR A 40 1.059 -2.529 -11.872 1.00 0.00 H new ATOM 0 HA THR A 40 3.104 -3.214 -9.921 1.00 0.00 H new ATOM 0 HB THR A 40 0.308 -4.234 -10.510 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.606 -2.141 -8.686 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.145 -4.553 -8.098 1.00 0.00 H new ATOM 0 HG22 THR A 40 1.471 -5.495 -8.821 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.828 -4.005 -7.916 1.00 0.00 H new ATOM 624 N GLY A 41 3.387 -5.742 -10.310 1.00 0.00 N ATOM 625 CA GLY A 41 3.814 -7.070 -10.717 1.00 0.00 C ATOM 626 C GLY A 41 5.196 -7.046 -11.384 1.00 0.00 C ATOM 627 O GLY A 41 5.543 -7.947 -12.145 1.00 0.00 O ATOM 0 H GLY A 41 3.556 -5.530 -9.327 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.842 -7.725 -9.846 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.084 -7.490 -11.409 1.00 0.00 H new ATOM 631 N GLN A 42 5.996 -6.009 -11.106 1.00 0.00 N ATOM 632 CA GLN A 42 7.271 -5.751 -11.760 1.00 0.00 C ATOM 633 C GLN A 42 8.030 -4.715 -10.927 1.00 0.00 C ATOM 634 O GLN A 42 7.772 -3.519 -11.033 1.00 0.00 O ATOM 635 CB GLN A 42 7.045 -5.245 -13.200 1.00 0.00 C ATOM 636 CG GLN A 42 7.467 -6.268 -14.261 1.00 0.00 C ATOM 637 CD GLN A 42 7.329 -5.671 -15.658 1.00 0.00 C ATOM 638 OE1 GLN A 42 8.265 -5.077 -16.183 1.00 0.00 O ATOM 639 NE2 GLN A 42 6.154 -5.798 -16.267 1.00 0.00 N ATOM 0 H GLN A 42 5.762 -5.311 -10.400 1.00 0.00 H new ATOM 0 HA GLN A 42 7.855 -6.669 -11.827 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.991 -5.003 -13.334 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.605 -4.322 -13.348 1.00 0.00 H new ATOM 0 HG2 GLN A 42 8.499 -6.575 -14.090 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.850 -7.163 -14.178 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.393 -6.297 -15.807 1.00 0.00 H new ATOM 0 HE22 GLN A 42 6.014 -5.396 -17.194 1.00 0.00 H new ATOM 648 N ALA A 43 8.972 -5.175 -10.101 1.00 0.00 N ATOM 649 CA ALA A 43 9.861 -4.312 -9.329 1.00 0.00 C ATOM 650 C ALA A 43 11.295 -4.857 -9.401 1.00 0.00 C ATOM 651 O ALA A 43 11.695 -5.613 -8.513 1.00 0.00 O ATOM 652 CB ALA A 43 9.348 -4.211 -7.889 1.00 0.00 C ATOM 0 H ALA A 43 9.139 -6.170 -9.949 1.00 0.00 H new ATOM 0 HA ALA A 43 9.873 -3.305 -9.746 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.011 -3.567 -7.311 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.343 -3.790 -7.890 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.325 -5.204 -7.440 1.00 0.00 H new ATOM 658 N PRO A 44 12.069 -4.516 -10.448 1.00 0.00 N ATOM 659 CA PRO A 44 13.402 -5.064 -10.667 1.00 0.00 C ATOM 660 C PRO A 44 14.391 -4.515 -9.632 1.00 0.00 C ATOM 661 O PRO A 44 15.175 -3.614 -9.917 1.00 0.00 O ATOM 662 CB PRO A 44 13.767 -4.685 -12.107 1.00 0.00 C ATOM 663 CG PRO A 44 12.992 -3.388 -12.332 1.00 0.00 C ATOM 664 CD PRO A 44 11.707 -3.616 -11.534 1.00 0.00 C ATOM 0 HA PRO A 44 13.436 -6.146 -10.541 1.00 0.00 H new ATOM 0 HB2 PRO A 44 14.841 -4.539 -12.225 1.00 0.00 H new ATOM 0 HB3 PRO A 44 13.471 -5.459 -12.815 1.00 0.00 H new ATOM 0 HG2 PRO A 44 13.543 -2.520 -11.971 1.00 0.00 H new ATOM 0 HG3 PRO A 44 12.787 -3.218 -13.389 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.314 -2.675 -11.148 1.00 0.00 H new ATOM 0 HD3 PRO A 44 10.930 -4.053 -12.161 1.00 0.00 H new ATOM 672 N GLY A 45 14.346 -5.069 -8.420 1.00 0.00 N ATOM 673 CA GLY A 45 15.239 -4.701 -7.333 1.00 0.00 C ATOM 674 C GLY A 45 14.955 -5.551 -6.098 1.00 0.00 C ATOM 675 O GLY A 45 15.865 -6.147 -5.530 1.00 0.00 O ATOM 0 H GLY A 45 13.677 -5.796 -8.167 1.00 0.00 H new ATOM 0 HA2 GLY A 45 16.275 -4.835 -7.644 1.00 0.00 H new ATOM 0 HA3 GLY A 45 15.113 -3.645 -7.092 1.00 0.00 H new ATOM 679 N PHE A 46 13.684 -5.595 -5.686 1.00 0.00 N ATOM 680 CA PHE A 46 13.223 -6.338 -4.515 1.00 0.00 C ATOM 681 C PHE A 46 12.139 -7.327 -4.950 1.00 0.00 C ATOM 682 O PHE A 46 12.351 -8.536 -4.909 1.00 0.00 O ATOM 683 CB PHE A 46 12.806 -5.343 -3.408 1.00 0.00 C ATOM 684 CG PHE A 46 11.479 -5.579 -2.705 1.00 0.00 C ATOM 685 CD1 PHE A 46 11.365 -6.556 -1.698 1.00 0.00 C ATOM 686 CD2 PHE A 46 10.354 -4.802 -3.044 1.00 0.00 C ATOM 687 CE1 PHE A 46 10.131 -6.781 -1.064 1.00 0.00 C ATOM 688 CE2 PHE A 46 9.127 -5.022 -2.401 1.00 0.00 C ATOM 689 CZ PHE A 46 9.009 -6.022 -1.423 1.00 0.00 C ATOM 0 H PHE A 46 12.933 -5.103 -6.170 1.00 0.00 H new ATOM 0 HA PHE A 46 14.015 -6.943 -4.073 1.00 0.00 H new ATOM 0 HB2 PHE A 46 13.590 -5.337 -2.651 1.00 0.00 H new ATOM 0 HB3 PHE A 46 12.780 -4.346 -3.847 1.00 0.00 H new ATOM 0 HD1 PHE A 46 12.230 -7.136 -1.411 1.00 0.00 H new ATOM 0 HD2 PHE A 46 10.436 -4.036 -3.800 1.00 0.00 H new ATOM 0 HE1 PHE A 46 10.047 -7.539 -0.300 1.00 0.00 H new ATOM 0 HE2 PHE A 46 8.269 -4.419 -2.660 1.00 0.00 H new ATOM 0 HZ PHE A 46 8.056 -6.206 -0.949 1.00 0.00 H new ATOM 699 N THR A 47 11.001 -6.795 -5.400 1.00 0.00 N ATOM 700 CA THR A 47 9.758 -7.515 -5.638 1.00 0.00 C ATOM 701 C THR A 47 9.364 -8.497 -4.526 1.00 0.00 C ATOM 702 O THR A 47 9.916 -8.509 -3.432 1.00 0.00 O ATOM 703 CB THR A 47 9.651 -8.058 -7.073 1.00 0.00 C ATOM 704 OG1 THR A 47 8.282 -8.210 -7.412 1.00 0.00 O ATOM 705 CG2 THR A 47 10.391 -9.377 -7.288 1.00 0.00 C ATOM 0 H THR A 47 10.922 -5.802 -5.618 1.00 0.00 H new ATOM 0 HA THR A 47 8.967 -6.768 -5.570 1.00 0.00 H new ATOM 0 HB THR A 47 10.135 -7.331 -7.725 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.141 -7.926 -8.339 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.270 -9.697 -8.323 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.450 -9.239 -7.072 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.981 -10.137 -6.623 1.00 0.00 H new ATOM 713 N TYR A 48 8.306 -9.258 -4.789 1.00 0.00 N ATOM 714 CA TYR A 48 7.479 -9.883 -3.772 1.00 0.00 C ATOM 715 C TYR A 48 7.052 -11.284 -4.206 1.00 0.00 C ATOM 716 O TYR A 48 7.507 -11.789 -5.232 1.00 0.00 O ATOM 717 CB TYR A 48 6.296 -8.949 -3.443 1.00 0.00 C ATOM 718 CG TYR A 48 5.989 -7.865 -4.467 1.00 0.00 C ATOM 719 CD1 TYR A 48 5.105 -8.108 -5.527 1.00 0.00 C ATOM 720 CD2 TYR A 48 6.611 -6.612 -4.367 1.00 0.00 C ATOM 721 CE1 TYR A 48 4.828 -7.104 -6.468 1.00 0.00 C ATOM 722 CE2 TYR A 48 6.407 -5.630 -5.354 1.00 0.00 C ATOM 723 CZ TYR A 48 5.473 -5.863 -6.381 1.00 0.00 C ATOM 724 OH TYR A 48 5.339 -4.971 -7.403 1.00 0.00 O ATOM 0 H TYR A 48 7.996 -9.460 -5.739 1.00 0.00 H new ATOM 0 HA TYR A 48 8.047 -10.024 -2.853 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.403 -9.560 -3.313 1.00 0.00 H new ATOM 0 HB3 TYR A 48 6.495 -8.469 -2.485 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.633 -9.075 -5.621 1.00 0.00 H new ATOM 0 HD2 TYR A 48 7.252 -6.399 -3.525 1.00 0.00 H new ATOM 0 HE1 TYR A 48 4.117 -7.288 -7.260 1.00 0.00 H new ATOM 0 HE2 TYR A 48 6.963 -4.705 -5.324 1.00 0.00 H new ATOM 0 HH TYR A 48 5.844 -4.157 -7.195 1.00 0.00 H new ATOM 734 N THR A 49 6.201 -11.916 -3.391 1.00 0.00 N ATOM 735 CA THR A 49 5.601 -13.215 -3.674 1.00 0.00 C ATOM 736 C THR A 49 5.063 -13.243 -5.101 1.00 0.00 C ATOM 737 O THR A 49 4.479 -12.259 -5.533 1.00 0.00 O ATOM 738 CB THR A 49 4.439 -13.474 -2.699 1.00 0.00 C ATOM 739 OG1 THR A 49 3.582 -12.342 -2.654 1.00 0.00 O ATOM 740 CG2 THR A 49 4.947 -13.808 -1.295 1.00 0.00 C ATOM 0 H THR A 49 5.906 -11.525 -2.496 1.00 0.00 H new ATOM 0 HA THR A 49 6.363 -13.985 -3.556 1.00 0.00 H new ATOM 0 HB THR A 49 3.880 -14.336 -3.063 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.559 -11.914 -3.535 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.099 -13.985 -0.634 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.568 -14.703 -1.336 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.537 -12.974 -0.914 1.00 0.00 H new ATOM 748 N ASP A 50 5.209 -14.370 -5.799 1.00 0.00 N ATOM 749 CA ASP A 50 4.547 -14.684 -7.063 1.00 0.00 C ATOM 750 C ASP A 50 3.092 -14.227 -7.062 1.00 0.00 C ATOM 751 O ASP A 50 2.670 -13.564 -7.998 1.00 0.00 O ATOM 752 CB ASP A 50 4.654 -16.195 -7.319 1.00 0.00 C ATOM 753 CG ASP A 50 3.921 -17.044 -6.280 1.00 0.00 C ATOM 754 OD1 ASP A 50 3.834 -16.573 -5.121 1.00 0.00 O ATOM 755 OD2 ASP A 50 3.449 -18.130 -6.669 1.00 0.00 O ATOM 0 H ASP A 50 5.821 -15.123 -5.483 1.00 0.00 H new ATOM 0 HA ASP A 50 5.044 -14.144 -7.869 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.251 -16.417 -8.307 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.706 -16.479 -7.332 1.00 0.00 H new ATOM 760 N ALA A 51 2.331 -14.531 -6.015 1.00 0.00 N ATOM 761 CA ALA A 51 0.919 -14.175 -5.917 1.00 0.00 C ATOM 762 C ALA A 51 0.682 -12.692 -6.184 1.00 0.00 C ATOM 763 O ALA A 51 -0.270 -12.323 -6.868 1.00 0.00 O ATOM 764 CB ALA A 51 0.389 -14.576 -4.537 1.00 0.00 C ATOM 0 H ALA A 51 2.681 -15.037 -5.202 1.00 0.00 H new ATOM 0 HA ALA A 51 0.374 -14.721 -6.687 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.666 -14.311 -4.461 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.504 -15.651 -4.402 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.951 -14.051 -3.765 1.00 0.00 H new ATOM 770 N ASN A 52 1.552 -11.839 -5.650 1.00 0.00 N ATOM 771 CA ASN A 52 1.421 -10.399 -5.799 1.00 0.00 C ATOM 772 C ASN A 52 2.229 -9.905 -7.006 1.00 0.00 C ATOM 773 O ASN A 52 1.862 -8.955 -7.688 1.00 0.00 O ATOM 774 CB ASN A 52 1.845 -9.762 -4.480 1.00 0.00 C ATOM 775 CG ASN A 52 1.253 -8.373 -4.321 1.00 0.00 C ATOM 776 OD1 ASN A 52 1.185 -7.590 -5.261 1.00 0.00 O ATOM 777 ND2 ASN A 52 0.800 -8.080 -3.112 1.00 0.00 N ATOM 0 H ASN A 52 2.364 -12.129 -5.104 1.00 0.00 H new ATOM 0 HA ASN A 52 0.391 -10.110 -6.007 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.526 -10.393 -3.650 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.932 -9.703 -4.435 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.373 -7.171 -2.934 1.00 0.00 H new ATOM 0 HD22 ASN A 52 0.878 -8.763 -2.359 1.00 0.00 H new ATOM 784 N LYS A 53 3.309 -10.601 -7.347 1.00 0.00 N ATOM 785 CA LYS A 53 4.121 -10.274 -8.504 1.00 0.00 C ATOM 786 C LYS A 53 3.336 -10.593 -9.783 1.00 0.00 C ATOM 787 O LYS A 53 3.574 -10.014 -10.838 1.00 0.00 O ATOM 788 CB LYS A 53 5.458 -11.012 -8.426 1.00 0.00 C ATOM 789 CG LYS A 53 6.456 -10.433 -9.438 1.00 0.00 C ATOM 790 CD LYS A 53 7.029 -11.538 -10.326 1.00 0.00 C ATOM 791 CE LYS A 53 7.852 -10.892 -11.446 1.00 0.00 C ATOM 792 NZ LYS A 53 8.538 -11.904 -12.274 1.00 0.00 N ATOM 0 H LYS A 53 3.643 -11.410 -6.824 1.00 0.00 H new ATOM 0 HA LYS A 53 4.350 -9.209 -8.521 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.866 -10.931 -7.418 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.306 -12.073 -8.624 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.961 -9.683 -10.056 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.265 -9.928 -8.910 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.654 -12.210 -9.737 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.224 -12.139 -10.748 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.198 -10.289 -12.076 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.589 -10.216 -11.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.084 -11.429 -13.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.180 -12.463 -11.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.833 -12.533 -12.708 1.00 0.00 H new ATOM 806 N ASN A 54 2.383 -11.517 -9.681 1.00 0.00 N ATOM 807 CA ASN A 54 1.500 -11.917 -10.755 1.00 0.00 C ATOM 808 C ASN A 54 0.476 -10.817 -11.066 1.00 0.00 C ATOM 809 O ASN A 54 -0.048 -10.768 -12.174 1.00 0.00 O ATOM 810 CB ASN A 54 0.775 -13.209 -10.357 1.00 0.00 C ATOM 811 CG ASN A 54 -0.209 -13.666 -11.428 1.00 0.00 C ATOM 812 OD1 ASN A 54 -1.417 -13.550 -11.262 1.00 0.00 O ATOM 813 ND2 ASN A 54 0.300 -14.209 -12.531 1.00 0.00 N ATOM 0 H ASN A 54 2.205 -12.022 -8.813 1.00 0.00 H new ATOM 0 HA ASN A 54 2.095 -12.087 -11.653 1.00 0.00 H new ATOM 0 HB2 ASN A 54 1.508 -13.996 -10.179 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.242 -13.051 -9.419 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -0.321 -14.543 -13.268 1.00 0.00 H new ATOM 0 HD22 ASN A 54 1.311 -14.291 -12.639 1.00 0.00 H new ATOM 820 N LYS A 55 0.147 -9.977 -10.072 1.00 0.00 N ATOM 821 CA LYS A 55 -1.099 -9.204 -10.056 1.00 0.00 C ATOM 822 C LYS A 55 -1.331 -8.361 -11.321 1.00 0.00 C ATOM 823 O LYS A 55 -2.443 -8.334 -11.843 1.00 0.00 O ATOM 824 CB LYS A 55 -1.197 -8.348 -8.778 1.00 0.00 C ATOM 825 CG LYS A 55 -2.455 -8.636 -7.953 1.00 0.00 C ATOM 826 CD LYS A 55 -3.734 -8.130 -8.625 1.00 0.00 C ATOM 827 CE LYS A 55 -4.955 -8.861 -8.056 1.00 0.00 C ATOM 828 NZ LYS A 55 -6.205 -8.362 -8.657 1.00 0.00 N ATOM 0 H LYS A 55 0.740 -9.817 -9.258 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.906 -9.936 -10.050 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.317 -8.527 -8.161 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.184 -7.293 -9.053 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.537 -9.710 -7.788 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.356 -8.169 -6.973 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.837 -7.057 -8.466 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.675 -8.289 -9.702 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.861 -9.931 -8.243 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.990 -8.728 -6.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.962 -9.060 -8.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.472 -7.463 -8.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.064 -8.210 -9.676 1.00 0.00 H new ATOM 842 N GLY A 56 -0.308 -7.642 -11.790 1.00 0.00 N ATOM 843 CA GLY A 56 -0.368 -6.917 -13.057 1.00 0.00 C ATOM 844 C GLY A 56 -1.455 -5.834 -13.106 1.00 0.00 C ATOM 845 O GLY A 56 -2.028 -5.576 -14.162 1.00 0.00 O ATOM 0 H GLY A 56 0.582 -7.548 -11.302 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.601 -6.454 -13.245 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.543 -7.629 -13.863 1.00 0.00 H new ATOM 849 N ILE A 57 -1.718 -5.180 -11.971 1.00 0.00 N ATOM 850 CA ILE A 57 -2.576 -4.004 -11.870 1.00 0.00 C ATOM 851 C ILE A 57 -1.715 -2.739 -12.017 1.00 0.00 C ATOM 852 O ILE A 57 -0.644 -2.798 -12.616 1.00 0.00 O ATOM 853 CB ILE A 57 -3.394 -4.075 -10.565 1.00 0.00 C ATOM 854 CG1 ILE A 57 -2.515 -4.339 -9.335 1.00 0.00 C ATOM 855 CG2 ILE A 57 -4.487 -5.142 -10.715 1.00 0.00 C ATOM 856 CD1 ILE A 57 -3.201 -4.004 -8.012 1.00 0.00 C ATOM 0 H ILE A 57 -1.327 -5.465 -11.073 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.307 -3.970 -12.677 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.857 -3.103 -10.396 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.221 -5.389 -9.327 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.600 -3.752 -9.419 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -5.070 -5.198 -9.795 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.143 -4.877 -11.545 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -4.026 -6.110 -10.912 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.522 -4.215 -7.186 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.471 -2.948 -7.999 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.101 -4.610 -7.905 1.00 0.00 H new ATOM 868 N THR A 58 -2.177 -1.580 -11.533 1.00 0.00 N ATOM 869 CA THR A 58 -1.538 -0.292 -11.748 1.00 0.00 C ATOM 870 C THR A 58 -1.541 0.533 -10.448 1.00 0.00 C ATOM 871 O THR A 58 -1.651 1.760 -10.508 1.00 0.00 O ATOM 872 CB THR A 58 -2.336 0.408 -12.859 1.00 0.00 C ATOM 873 OG1 THR A 58 -2.853 -0.527 -13.789 1.00 0.00 O ATOM 874 CG2 THR A 58 -1.462 1.399 -13.611 1.00 0.00 C ATOM 0 H THR A 58 -3.025 -1.518 -10.969 1.00 0.00 H new ATOM 0 HA THR A 58 -0.494 -0.407 -12.040 1.00 0.00 H new ATOM 0 HB THR A 58 -3.160 0.932 -12.375 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.357 -0.053 -14.483 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.049 1.882 -14.392 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.089 2.154 -12.919 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.621 0.873 -14.062 1.00 0.00 H new ATOM 882 N TRP A 59 -1.510 -0.160 -9.299 1.00 0.00 N ATOM 883 CA TRP A 59 -1.881 0.327 -7.968 1.00 0.00 C ATOM 884 C TRP A 59 -2.695 1.619 -7.981 1.00 0.00 C ATOM 885 O TRP A 59 -2.217 2.685 -7.603 1.00 0.00 O ATOM 886 CB TRP A 59 -0.661 0.404 -7.051 1.00 0.00 C ATOM 887 CG TRP A 59 -0.218 -0.926 -6.538 1.00 0.00 C ATOM 888 CD1 TRP A 59 0.996 -1.472 -6.740 1.00 0.00 C ATOM 889 CD2 TRP A 59 -0.966 -1.891 -5.734 1.00 0.00 C ATOM 890 NE1 TRP A 59 1.057 -2.695 -6.111 1.00 0.00 N ATOM 891 CE2 TRP A 59 -0.136 -3.025 -5.504 1.00 0.00 C ATOM 892 CE3 TRP A 59 -2.258 -1.914 -5.161 1.00 0.00 C ATOM 893 CZ2 TRP A 59 -0.568 -4.135 -4.761 1.00 0.00 C ATOM 894 CZ3 TRP A 59 -2.698 -3.018 -4.410 1.00 0.00 C ATOM 895 CH2 TRP A 59 -1.861 -4.131 -4.217 1.00 0.00 C ATOM 0 H TRP A 59 -1.206 -1.134 -9.277 1.00 0.00 H new ATOM 0 HA TRP A 59 -2.563 -0.414 -7.551 1.00 0.00 H new ATOM 0 HB2 TRP A 59 0.163 0.868 -7.593 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -0.892 1.052 -6.206 1.00 0.00 H new ATOM 0 HD1 TRP A 59 1.797 -1.021 -7.307 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.887 -3.287 -6.096 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -2.917 -1.070 -5.302 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 0.086 -4.981 -4.610 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -3.688 -3.011 -3.978 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -2.213 -4.981 -3.651 1.00 0.00 H new ATOM 906 N LYS A 60 -3.952 1.495 -8.405 1.00 0.00 N ATOM 907 CA LYS A 60 -4.855 2.614 -8.609 1.00 0.00 C ATOM 908 C LYS A 60 -5.889 2.686 -7.479 1.00 0.00 C ATOM 909 O LYS A 60 -6.012 1.762 -6.667 1.00 0.00 O ATOM 910 CB LYS A 60 -5.514 2.472 -9.991 1.00 0.00 C ATOM 911 CG LYS A 60 -6.110 1.071 -10.212 1.00 0.00 C ATOM 912 CD LYS A 60 -7.100 1.017 -11.380 1.00 0.00 C ATOM 913 CE LYS A 60 -6.487 0.744 -12.759 1.00 0.00 C ATOM 914 NZ LYS A 60 -5.924 1.962 -13.368 1.00 0.00 N ATOM 0 H LYS A 60 -4.375 0.592 -8.619 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.301 3.553 -8.584 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.300 3.220 -10.095 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.775 2.677 -10.766 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -5.301 0.363 -10.396 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.614 0.749 -9.301 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.838 0.243 -11.171 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.636 1.965 -11.422 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -5.704 -0.008 -12.664 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.250 0.329 -13.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -5.722 1.786 -14.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -6.608 2.741 -13.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -5.044 2.220 -12.878 1.00 0.00 H new ATOM 928 N GLU A 61 -6.696 3.753 -7.497 1.00 0.00 N ATOM 929 CA GLU A 61 -7.735 4.044 -6.499 1.00 0.00 C ATOM 930 C GLU A 61 -8.894 3.051 -6.498 1.00 0.00 C ATOM 931 O GLU A 61 -9.839 3.205 -5.735 1.00 0.00 O ATOM 932 CB GLU A 61 -8.247 5.492 -6.659 1.00 0.00 C ATOM 933 CG GLU A 61 -8.675 6.079 -5.302 1.00 0.00 C ATOM 934 CD GLU A 61 -9.131 7.525 -5.371 1.00 0.00 C ATOM 935 OE1 GLU A 61 -8.958 8.175 -6.427 1.00 0.00 O ATOM 936 OE2 GLU A 61 -9.515 8.072 -4.315 1.00 0.00 O ATOM 0 H GLU A 61 -6.643 4.461 -8.229 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.257 3.933 -5.526 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.465 6.112 -7.097 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.091 5.509 -7.349 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.484 5.473 -4.894 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -7.839 6.005 -4.606 1.00 0.00 H new ATOM 943 N GLU A 62 -8.818 2.023 -7.333 1.00 0.00 N ATOM 944 CA GLU A 62 -9.786 0.953 -7.373 1.00 0.00 C ATOM 945 C GLU A 62 -9.214 -0.260 -6.634 1.00 0.00 C ATOM 946 O GLU A 62 -9.901 -0.950 -5.887 1.00 0.00 O ATOM 947 CB GLU A 62 -10.104 0.657 -8.847 1.00 0.00 C ATOM 948 CG GLU A 62 -10.218 1.952 -9.674 1.00 0.00 C ATOM 949 CD GLU A 62 -10.701 1.670 -11.094 1.00 0.00 C ATOM 950 OE1 GLU A 62 -11.860 1.228 -11.217 1.00 0.00 O ATOM 951 OE2 GLU A 62 -9.892 1.876 -12.025 1.00 0.00 O ATOM 0 H GLU A 62 -8.064 1.914 -8.012 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.717 1.224 -6.874 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.323 0.023 -9.268 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.038 0.099 -8.913 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.908 2.638 -9.184 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.248 2.448 -9.711 1.00 0.00 H new ATOM 958 N THR A 63 -7.918 -0.509 -6.838 1.00 0.00 N ATOM 959 CA THR A 63 -7.234 -1.700 -6.385 1.00 0.00 C ATOM 960 C THR A 63 -6.717 -1.509 -4.963 1.00 0.00 C ATOM 961 O THR A 63 -6.777 -2.439 -4.159 1.00 0.00 O ATOM 962 CB THR A 63 -6.112 -2.015 -7.381 1.00 0.00 C ATOM 963 OG1 THR A 63 -5.333 -0.861 -7.661 1.00 0.00 O ATOM 964 CG2 THR A 63 -6.716 -2.489 -8.706 1.00 0.00 C ATOM 0 H THR A 63 -7.308 0.137 -7.338 1.00 0.00 H new ATOM 0 HA THR A 63 -7.917 -2.549 -6.350 1.00 0.00 H new ATOM 0 HB THR A 63 -5.484 -2.785 -6.933 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.691 -0.715 -6.935 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.916 -2.712 -9.412 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.309 -3.387 -8.535 1.00 0.00 H new ATOM 0 HG23 THR A 63 -7.353 -1.706 -9.116 1.00 0.00 H new ATOM 972 N LEU A 64 -6.219 -0.307 -4.641 1.00 0.00 N ATOM 973 CA LEU A 64 -5.789 -0.017 -3.282 1.00 0.00 C ATOM 974 C LEU A 64 -6.933 -0.249 -2.299 1.00 0.00 C ATOM 975 O LEU A 64 -6.716 -0.833 -1.247 1.00 0.00 O ATOM 976 CB LEU A 64 -5.264 1.421 -3.154 1.00 0.00 C ATOM 977 CG LEU A 64 -3.733 1.515 -3.266 1.00 0.00 C ATOM 978 CD1 LEU A 64 -3.315 2.106 -4.612 1.00 0.00 C ATOM 979 CD2 LEU A 64 -3.195 2.377 -2.123 1.00 0.00 C ATOM 0 H LEU A 64 -6.108 0.465 -5.298 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.971 -0.697 -3.042 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.718 2.038 -3.930 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.578 1.832 -2.195 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.315 0.511 -3.198 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.228 2.161 -4.663 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.685 1.473 -5.418 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.734 3.107 -4.716 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.110 2.446 -2.199 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.627 3.376 -2.186 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.464 1.925 -1.168 1.00 0.00 H new ATOM 991 N MET A 65 -8.142 0.203 -2.633 1.00 0.00 N ATOM 992 CA MET A 65 -9.304 0.020 -1.789 1.00 0.00 C ATOM 993 C MET A 65 -9.526 -1.464 -1.519 1.00 0.00 C ATOM 994 O MET A 65 -9.575 -1.871 -0.363 1.00 0.00 O ATOM 995 CB MET A 65 -10.519 0.675 -2.448 1.00 0.00 C ATOM 996 CG MET A 65 -10.216 2.155 -2.715 1.00 0.00 C ATOM 997 SD MET A 65 -11.633 3.222 -3.041 1.00 0.00 S ATOM 998 CE MET A 65 -12.322 3.214 -1.383 1.00 0.00 C ATOM 0 H MET A 65 -8.335 0.706 -3.499 1.00 0.00 H new ATOM 0 HA MET A 65 -9.146 0.503 -0.825 1.00 0.00 H new ATOM 0 HB2 MET A 65 -10.758 0.167 -3.382 1.00 0.00 H new ATOM 0 HB3 MET A 65 -11.392 0.582 -1.802 1.00 0.00 H new ATOM 0 HG2 MET A 65 -9.680 2.554 -1.854 1.00 0.00 H new ATOM 0 HG3 MET A 65 -9.540 2.216 -3.568 1.00 0.00 H new ATOM 0 HE1 MET A 65 -13.311 2.757 -1.402 1.00 0.00 H new ATOM 0 HE2 MET A 65 -11.671 2.643 -0.721 1.00 0.00 H new ATOM 0 HE3 MET A 65 -12.402 4.238 -1.017 1.00 0.00 H new ATOM 1008 N GLU A 66 -9.621 -2.270 -2.579 1.00 0.00 N ATOM 1009 CA GLU A 66 -9.869 -3.701 -2.442 1.00 0.00 C ATOM 1010 C GLU A 66 -8.810 -4.345 -1.530 1.00 0.00 C ATOM 1011 O GLU A 66 -9.128 -5.088 -0.600 1.00 0.00 O ATOM 1012 CB GLU A 66 -9.903 -4.335 -3.843 1.00 0.00 C ATOM 1013 CG GLU A 66 -10.783 -5.592 -3.898 1.00 0.00 C ATOM 1014 CD GLU A 66 -12.270 -5.260 -3.907 1.00 0.00 C ATOM 1015 OE1 GLU A 66 -12.712 -4.721 -4.943 1.00 0.00 O ATOM 1016 OE2 GLU A 66 -12.933 -5.571 -2.896 1.00 0.00 O ATOM 0 H GLU A 66 -9.529 -1.951 -3.544 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.834 -3.874 -1.966 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.275 -3.603 -4.560 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -8.888 -4.592 -4.147 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.536 -6.166 -4.791 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.560 -6.226 -3.040 1.00 0.00 H new ATOM 1023 N TYR A 67 -7.536 -4.029 -1.786 1.00 0.00 N ATOM 1024 CA TYR A 67 -6.415 -4.546 -1.008 1.00 0.00 C ATOM 1025 C TYR A 67 -6.555 -4.128 0.451 1.00 0.00 C ATOM 1026 O TYR A 67 -6.761 -4.977 1.304 1.00 0.00 O ATOM 1027 CB TYR A 67 -5.099 -4.058 -1.631 1.00 0.00 C ATOM 1028 CG TYR A 67 -3.812 -4.700 -1.129 1.00 0.00 C ATOM 1029 CD1 TYR A 67 -3.702 -6.101 -1.025 1.00 0.00 C ATOM 1030 CD2 TYR A 67 -2.650 -3.913 -0.991 1.00 0.00 C ATOM 1031 CE1 TYR A 67 -2.462 -6.707 -0.774 1.00 0.00 C ATOM 1032 CE2 TYR A 67 -1.401 -4.525 -0.784 1.00 0.00 C ATOM 1033 CZ TYR A 67 -1.305 -5.923 -0.667 1.00 0.00 C ATOM 1034 OH TYR A 67 -0.114 -6.527 -0.400 1.00 0.00 O ATOM 0 H TYR A 67 -7.257 -3.405 -2.543 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.411 -5.636 -1.029 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.157 -4.214 -2.708 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.026 -2.983 -1.468 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.583 -6.715 -1.140 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.720 -2.837 -1.044 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.399 -7.779 -0.663 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.510 -3.918 -0.714 1.00 0.00 H new ATOM 0 HH TYR A 67 0.414 -5.959 0.199 1.00 0.00 H new ATOM 1044 N LEU A 68 -6.452 -2.842 0.769 1.00 0.00 N ATOM 1045 CA LEU A 68 -6.456 -2.387 2.154 1.00 0.00 C ATOM 1046 C LEU A 68 -7.701 -2.841 2.918 1.00 0.00 C ATOM 1047 O LEU A 68 -7.590 -3.189 4.091 1.00 0.00 O ATOM 1048 CB LEU A 68 -6.279 -0.863 2.239 1.00 0.00 C ATOM 1049 CG LEU A 68 -4.817 -0.377 2.195 1.00 0.00 C ATOM 1050 CD1 LEU A 68 -3.960 -1.081 3.255 1.00 0.00 C ATOM 1051 CD2 LEU A 68 -4.163 -0.524 0.817 1.00 0.00 C ATOM 0 H LEU A 68 -6.364 -2.093 0.082 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.601 -2.857 2.640 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.825 -0.402 1.416 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.737 -0.509 3.163 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.862 0.690 2.415 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.935 -0.715 3.196 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.363 -0.873 4.246 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.972 -2.156 3.077 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.136 -0.162 0.861 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.166 -1.574 0.523 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.722 0.059 0.085 1.00 0.00 H new ATOM 1063 N GLU A 69 -8.867 -2.851 2.267 1.00 0.00 N ATOM 1064 CA GLU A 69 -10.105 -3.280 2.903 1.00 0.00 C ATOM 1065 C GLU A 69 -10.012 -4.762 3.292 1.00 0.00 C ATOM 1066 O GLU A 69 -10.436 -5.131 4.387 1.00 0.00 O ATOM 1067 CB GLU A 69 -11.307 -2.939 2.001 1.00 0.00 C ATOM 1068 CG GLU A 69 -12.641 -2.745 2.748 1.00 0.00 C ATOM 1069 CD GLU A 69 -13.367 -4.031 3.118 1.00 0.00 C ATOM 1070 OE1 GLU A 69 -13.034 -5.090 2.552 1.00 0.00 O ATOM 1071 OE2 GLU A 69 -14.299 -3.908 3.945 1.00 0.00 O ATOM 0 H GLU A 69 -8.975 -2.564 1.294 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.263 -2.735 3.834 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.081 -2.028 1.447 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.430 -3.735 1.267 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.450 -2.179 3.660 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.302 -2.138 2.128 1.00 0.00 H new ATOM 1078 N ASN A 70 -9.414 -5.611 2.441 1.00 0.00 N ATOM 1079 CA ASN A 70 -9.276 -7.031 2.758 1.00 0.00 C ATOM 1080 C ASN A 70 -8.060 -7.664 2.063 1.00 0.00 C ATOM 1081 O ASN A 70 -8.219 -8.445 1.130 1.00 0.00 O ATOM 1082 CB ASN A 70 -10.574 -7.753 2.358 1.00 0.00 C ATOM 1083 CG ASN A 70 -10.954 -8.931 3.255 1.00 0.00 C ATOM 1084 OD1 ASN A 70 -12.109 -9.346 3.271 1.00 0.00 O ATOM 1085 ND2 ASN A 70 -10.020 -9.517 4.005 1.00 0.00 N ATOM 0 H ASN A 70 -9.024 -5.338 1.539 1.00 0.00 H new ATOM 0 HA ASN A 70 -9.106 -7.135 3.830 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -11.391 -7.032 2.364 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -10.473 -8.112 1.334 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -10.264 -10.313 4.594 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.061 -9.169 3.989 1.00 0.00 H new ATOM 1092 N PRO A 71 -6.828 -7.414 2.518 1.00 0.00 N ATOM 1093 CA PRO A 71 -5.640 -7.633 1.698 1.00 0.00 C ATOM 1094 C PRO A 71 -5.389 -9.115 1.450 1.00 0.00 C ATOM 1095 O PRO A 71 -5.107 -9.534 0.329 1.00 0.00 O ATOM 1096 CB PRO A 71 -4.493 -6.930 2.428 1.00 0.00 C ATOM 1097 CG PRO A 71 -4.992 -6.799 3.870 1.00 0.00 C ATOM 1098 CD PRO A 71 -6.512 -6.728 3.752 1.00 0.00 C ATOM 0 HA PRO A 71 -5.755 -7.217 0.697 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -3.572 -7.511 2.376 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -4.280 -5.955 1.990 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.682 -7.651 4.475 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.590 -5.906 4.348 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -6.996 -7.206 4.604 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.857 -5.694 3.728 1.00 0.00 H new ATOM 1106 N LYS A 72 -5.553 -9.909 2.505 1.00 0.00 N ATOM 1107 CA LYS A 72 -5.503 -11.362 2.453 1.00 0.00 C ATOM 1108 C LYS A 72 -6.508 -11.912 1.432 1.00 0.00 C ATOM 1109 O LYS A 72 -6.273 -12.965 0.848 1.00 0.00 O ATOM 1110 CB LYS A 72 -5.782 -11.920 3.858 1.00 0.00 C ATOM 1111 CG LYS A 72 -5.385 -13.399 3.988 1.00 0.00 C ATOM 1112 CD LYS A 72 -6.017 -14.072 5.217 1.00 0.00 C ATOM 1113 CE LYS A 72 -5.595 -13.409 6.537 1.00 0.00 C ATOM 1114 NZ LYS A 72 -6.152 -14.113 7.712 1.00 0.00 N ATOM 0 H LYS A 72 -5.729 -9.547 3.442 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.511 -11.678 2.129 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.234 -11.333 4.595 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.842 -11.809 4.087 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.689 -13.934 3.088 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -4.300 -13.476 4.053 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.103 -14.036 5.128 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.733 -15.124 5.236 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.507 -13.395 6.604 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.928 -12.371 6.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -5.844 -13.634 8.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -7.191 -14.104 7.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.814 -15.096 7.720 1.00 0.00 H new ATOM 1128 N LYS A 73 -7.645 -11.237 1.239 1.00 0.00 N ATOM 1129 CA LYS A 73 -8.675 -11.695 0.322 1.00 0.00 C ATOM 1130 C LYS A 73 -8.313 -11.260 -1.095 1.00 0.00 C ATOM 1131 O LYS A 73 -8.381 -12.069 -2.017 1.00 0.00 O ATOM 1132 CB LYS A 73 -10.036 -11.155 0.769 1.00 0.00 C ATOM 1133 CG LYS A 73 -11.214 -11.972 0.226 1.00 0.00 C ATOM 1134 CD LYS A 73 -12.507 -11.309 0.715 1.00 0.00 C ATOM 1135 CE LYS A 73 -13.760 -12.112 0.352 1.00 0.00 C ATOM 1136 NZ LYS A 73 -14.986 -11.393 0.758 1.00 0.00 N ATOM 0 H LYS A 73 -7.870 -10.363 1.715 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.740 -12.783 0.328 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.078 -11.148 1.858 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.136 -10.121 0.440 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.188 -12.002 -0.863 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.157 -13.003 0.575 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.460 -11.187 1.797 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -12.583 -10.311 0.284 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.780 -12.295 -0.722 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -13.726 -13.086 0.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -15.821 -11.958 0.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -14.974 -11.240 1.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -15.027 -10.474 0.272 1.00 0.00 H new ATOM 1150 N TYR A 74 -7.931 -9.990 -1.279 1.00 0.00 N ATOM 1151 CA TYR A 74 -7.538 -9.483 -2.580 1.00 0.00 C ATOM 1152 C TYR A 74 -6.385 -10.287 -3.193 1.00 0.00 C ATOM 1153 O TYR A 74 -6.409 -10.584 -4.387 1.00 0.00 O ATOM 1154 CB TYR A 74 -7.185 -7.999 -2.454 1.00 0.00 C ATOM 1155 CG TYR A 74 -7.052 -7.288 -3.786 1.00 0.00 C ATOM 1156 CD1 TYR A 74 -8.124 -7.326 -4.692 1.00 0.00 C ATOM 1157 CD2 TYR A 74 -5.855 -6.646 -4.151 1.00 0.00 C ATOM 1158 CE1 TYR A 74 -7.996 -6.754 -5.966 1.00 0.00 C ATOM 1159 CE2 TYR A 74 -5.702 -6.131 -5.452 1.00 0.00 C ATOM 1160 CZ TYR A 74 -6.788 -6.154 -6.343 1.00 0.00 C ATOM 1161 OH TYR A 74 -6.608 -5.836 -7.658 1.00 0.00 O ATOM 0 H TYR A 74 -7.889 -9.298 -0.531 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.379 -9.596 -3.265 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.953 -7.501 -1.862 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.248 -7.903 -1.906 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -9.052 -7.798 -4.406 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.054 -6.548 -3.433 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.827 -6.776 -6.655 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.753 -5.720 -5.764 1.00 0.00 H new ATOM 0 HH TYR A 74 -7.475 -5.632 -8.067 1.00 0.00 H new ATOM 1171 N ILE A 75 -5.363 -10.608 -2.390 1.00 0.00 N ATOM 1172 CA ILE A 75 -4.183 -11.354 -2.818 1.00 0.00 C ATOM 1173 C ILE A 75 -3.855 -12.423 -1.762 1.00 0.00 C ATOM 1174 O ILE A 75 -3.020 -12.188 -0.884 1.00 0.00 O ATOM 1175 CB ILE A 75 -2.997 -10.398 -3.067 1.00 0.00 C ATOM 1176 CG1 ILE A 75 -3.408 -9.219 -3.966 1.00 0.00 C ATOM 1177 CG2 ILE A 75 -1.854 -11.186 -3.724 1.00 0.00 C ATOM 1178 CD1 ILE A 75 -2.282 -8.211 -4.205 1.00 0.00 C ATOM 0 H ILE A 75 -5.337 -10.349 -1.404 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.384 -11.857 -3.764 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.670 -9.987 -2.112 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.748 -9.606 -4.927 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -4.255 -8.705 -3.512 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.010 -10.520 -3.905 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.543 -11.995 -3.063 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -2.197 -11.603 -4.671 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.643 -7.407 -4.847 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.957 -7.795 -3.251 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.442 -8.711 -4.688 1.00 0.00 H new ATOM 1190 N PRO A 76 -4.485 -13.607 -1.822 1.00 0.00 N ATOM 1191 CA PRO A 76 -4.232 -14.659 -0.855 1.00 0.00 C ATOM 1192 C PRO A 76 -2.799 -15.164 -1.014 1.00 0.00 C ATOM 1193 O PRO A 76 -2.415 -15.642 -2.078 1.00 0.00 O ATOM 1194 CB PRO A 76 -5.291 -15.731 -1.122 1.00 0.00 C ATOM 1195 CG PRO A 76 -5.619 -15.548 -2.604 1.00 0.00 C ATOM 1196 CD PRO A 76 -5.445 -14.044 -2.824 1.00 0.00 C ATOM 0 HA PRO A 76 -4.310 -14.324 0.179 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.910 -16.731 -0.916 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.172 -15.590 -0.496 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.948 -16.127 -3.238 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -6.634 -15.873 -2.834 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -5.083 -13.835 -3.831 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -6.394 -13.520 -2.712 1.00 0.00 H new ATOM 1204 N GLY A 77 -2.001 -15.031 0.049 1.00 0.00 N ATOM 1205 CA GLY A 77 -0.605 -15.439 0.055 1.00 0.00 C ATOM 1206 C GLY A 77 0.320 -14.359 -0.510 1.00 0.00 C ATOM 1207 O GLY A 77 1.409 -14.676 -0.985 1.00 0.00 O ATOM 0 H GLY A 77 -2.314 -14.633 0.934 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.303 -15.675 1.075 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.493 -16.352 -0.530 1.00 0.00 H new ATOM 1211 N THR A 78 -0.075 -13.083 -0.424 1.00 0.00 N ATOM 1212 CA THR A 78 0.863 -11.985 -0.615 1.00 0.00 C ATOM 1213 C THR A 78 2.017 -12.065 0.398 1.00 0.00 C ATOM 1214 O THR A 78 1.990 -12.832 1.360 1.00 0.00 O ATOM 1215 CB THR A 78 0.149 -10.621 -0.585 1.00 0.00 C ATOM 1216 OG1 THR A 78 1.102 -9.581 -0.740 1.00 0.00 O ATOM 1217 CG2 THR A 78 -0.650 -10.384 0.697 1.00 0.00 C ATOM 0 H THR A 78 -1.032 -12.793 -0.225 1.00 0.00 H new ATOM 0 HA THR A 78 1.301 -12.083 -1.608 1.00 0.00 H new ATOM 0 HB THR A 78 -0.563 -10.623 -1.410 1.00 0.00 H new ATOM 0 HG1 THR A 78 0.729 -8.742 -0.397 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.127 -9.405 0.652 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.413 -11.156 0.798 1.00 0.00 H new ATOM 0 HG23 THR A 78 0.020 -10.422 1.556 1.00 0.00 H new ATOM 1225 N LYS A 79 3.029 -11.225 0.180 1.00 0.00 N ATOM 1226 CA LYS A 79 4.119 -11.011 1.119 1.00 0.00 C ATOM 1227 C LYS A 79 3.623 -10.152 2.290 1.00 0.00 C ATOM 1228 O LYS A 79 4.181 -10.208 3.384 1.00 0.00 O ATOM 1229 CB LYS A 79 5.283 -10.322 0.385 1.00 0.00 C ATOM 1230 CG LYS A 79 6.616 -10.376 1.153 1.00 0.00 C ATOM 1231 CD LYS A 79 7.342 -11.715 0.981 1.00 0.00 C ATOM 1232 CE LYS A 79 8.613 -11.737 1.845 1.00 0.00 C ATOM 1233 NZ LYS A 79 9.458 -12.917 1.563 1.00 0.00 N ATOM 0 H LYS A 79 3.111 -10.667 -0.670 1.00 0.00 H new ATOM 0 HA LYS A 79 4.469 -11.963 1.517 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.416 -10.792 -0.589 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.020 -9.280 0.203 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.263 -9.569 0.808 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.428 -10.202 2.213 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.683 -12.535 1.267 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.602 -11.866 -0.067 1.00 0.00 H new ATOM 0 HE2 LYS A 79 9.188 -10.829 1.666 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.334 -11.735 2.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.304 -12.891 2.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.919 -13.785 1.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.747 -12.907 0.564 1.00 0.00 H new ATOM 1247 N MET A 80 2.615 -9.312 2.038 1.00 0.00 N ATOM 1248 CA MET A 80 2.067 -8.384 3.011 1.00 0.00 C ATOM 1249 C MET A 80 1.272 -9.127 4.083 1.00 0.00 C ATOM 1250 O MET A 80 0.666 -10.160 3.819 1.00 0.00 O ATOM 1251 CB MET A 80 1.200 -7.388 2.246 1.00 0.00 C ATOM 1252 CG MET A 80 0.576 -6.259 3.064 1.00 0.00 C ATOM 1253 SD MET A 80 0.495 -4.715 2.128 1.00 0.00 S ATOM 1254 CE MET A 80 -1.189 -4.115 2.450 1.00 0.00 C ATOM 0 H MET A 80 2.153 -9.263 1.130 1.00 0.00 H new ATOM 0 HA MET A 80 2.862 -7.855 3.536 1.00 0.00 H new ATOM 0 HB2 MET A 80 1.807 -6.943 1.457 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.397 -7.940 1.757 1.00 0.00 H new ATOM 0 HG2 MET A 80 -0.428 -6.548 3.375 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.159 -6.103 3.972 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.347 -3.173 1.924 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.911 -4.852 2.099 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.321 -3.959 3.521 1.00 0.00 H new ATOM 1264 N ILE A 81 1.281 -8.594 5.304 1.00 0.00 N ATOM 1265 CA ILE A 81 0.696 -9.225 6.471 1.00 0.00 C ATOM 1266 C ILE A 81 -0.153 -8.147 7.135 1.00 0.00 C ATOM 1267 O ILE A 81 0.365 -7.304 7.865 1.00 0.00 O ATOM 1268 CB ILE A 81 1.816 -9.742 7.389 1.00 0.00 C ATOM 1269 CG1 ILE A 81 2.874 -10.596 6.664 1.00 0.00 C ATOM 1270 CG2 ILE A 81 1.224 -10.503 8.584 1.00 0.00 C ATOM 1271 CD1 ILE A 81 2.365 -11.952 6.159 1.00 0.00 C ATOM 0 H ILE A 81 1.707 -7.690 5.507 1.00 0.00 H new ATOM 0 HA ILE A 81 0.079 -10.090 6.227 1.00 0.00 H new ATOM 0 HB ILE A 81 2.345 -8.859 7.747 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.260 -10.030 5.817 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.711 -10.766 7.342 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.031 -10.862 9.223 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.578 -9.837 9.155 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.643 -11.351 8.223 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.177 -12.483 5.662 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.006 -12.543 7.002 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.549 -11.795 5.453 1.00 0.00 H new ATOM 1283 N PHE A 82 -1.447 -8.118 6.816 1.00 0.00 N ATOM 1284 CA PHE A 82 -2.340 -7.067 7.269 1.00 0.00 C ATOM 1285 C PHE A 82 -3.783 -7.574 7.238 1.00 0.00 C ATOM 1286 O PHE A 82 -4.038 -8.641 6.675 1.00 0.00 O ATOM 1287 CB PHE A 82 -2.122 -5.820 6.396 1.00 0.00 C ATOM 1288 CG PHE A 82 -2.489 -4.544 7.111 1.00 0.00 C ATOM 1289 CD1 PHE A 82 -1.621 -4.066 8.106 1.00 0.00 C ATOM 1290 CD2 PHE A 82 -3.775 -3.993 6.974 1.00 0.00 C ATOM 1291 CE1 PHE A 82 -2.068 -3.113 9.032 1.00 0.00 C ATOM 1292 CE2 PHE A 82 -4.238 -3.075 7.926 1.00 0.00 C ATOM 1293 CZ PHE A 82 -3.398 -2.669 8.981 1.00 0.00 C ATOM 0 H PHE A 82 -1.899 -8.825 6.236 1.00 0.00 H new ATOM 0 HA PHE A 82 -2.126 -6.787 8.300 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.077 -5.773 6.089 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.717 -5.908 5.487 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -0.607 -4.433 8.158 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.402 -4.275 6.141 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.393 -2.723 9.780 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.240 -2.678 7.851 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.778 -2.015 9.752 1.00 0.00 H new ATOM 1303 N ALA A 83 -4.718 -6.838 7.850 1.00 0.00 N ATOM 1304 CA ALA A 83 -6.123 -7.225 7.917 1.00 0.00 C ATOM 1305 C ALA A 83 -7.049 -6.014 8.059 1.00 0.00 C ATOM 1306 O ALA A 83 -7.917 -5.816 7.217 1.00 0.00 O ATOM 1307 CB ALA A 83 -6.339 -8.219 9.061 1.00 0.00 C ATOM 0 H ALA A 83 -4.515 -5.953 8.314 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.381 -7.708 6.974 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.391 -8.502 9.103 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.731 -9.107 8.891 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.050 -7.756 10.005 1.00 0.00 H new ATOM 1313 N GLY A 84 -6.891 -5.227 9.130 1.00 0.00 N ATOM 1314 CA GLY A 84 -7.760 -4.100 9.444 1.00 0.00 C ATOM 1315 C GLY A 84 -6.959 -3.047 10.206 1.00 0.00 C ATOM 1316 O GLY A 84 -5.906 -3.369 10.755 1.00 0.00 O ATOM 0 H GLY A 84 -6.143 -5.362 9.810 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -8.167 -3.672 8.528 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.607 -4.434 10.043 1.00 0.00 H new ATOM 1320 N ILE A 85 -7.426 -1.792 10.203 1.00 0.00 N ATOM 1321 CA ILE A 85 -6.632 -0.637 10.615 1.00 0.00 C ATOM 1322 C ILE A 85 -7.446 0.342 11.464 1.00 0.00 C ATOM 1323 O ILE A 85 -6.920 0.858 12.451 1.00 0.00 O ATOM 1324 CB ILE A 85 -5.980 0.016 9.379 1.00 0.00 C ATOM 1325 CG1 ILE A 85 -5.178 1.272 9.749 1.00 0.00 C ATOM 1326 CG2 ILE A 85 -6.999 0.355 8.294 1.00 0.00 C ATOM 1327 CD1 ILE A 85 -4.022 1.495 8.773 1.00 0.00 C ATOM 0 H ILE A 85 -8.374 -1.552 9.912 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.826 -0.973 11.267 1.00 0.00 H new ATOM 0 HB ILE A 85 -5.293 -0.730 8.978 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -5.835 2.142 9.744 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.789 1.173 10.762 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.489 0.812 7.446 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.500 -0.556 7.968 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.737 1.052 8.692 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.472 2.391 9.059 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.353 0.635 8.799 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -4.416 1.618 7.764 1.00 0.00 H new ATOM 1339 N LYS A 86 -8.713 0.603 11.109 1.00 0.00 N ATOM 1340 CA LYS A 86 -9.612 1.411 11.909 1.00 0.00 C ATOM 1341 C LYS A 86 -11.026 0.822 11.892 1.00 0.00 C ATOM 1342 O LYS A 86 -11.455 0.252 12.892 1.00 0.00 O ATOM 1343 CB LYS A 86 -9.545 2.881 11.460 1.00 0.00 C ATOM 1344 CG LYS A 86 -10.437 3.747 12.357 1.00 0.00 C ATOM 1345 CD LYS A 86 -9.916 5.184 12.535 1.00 0.00 C ATOM 1346 CE LYS A 86 -10.221 6.130 11.361 1.00 0.00 C ATOM 1347 NZ LYS A 86 -11.584 6.710 11.427 1.00 0.00 N ATOM 0 H LYS A 86 -9.135 0.251 10.250 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.296 1.394 12.952 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.516 3.237 11.505 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -9.867 2.967 10.422 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.440 3.783 11.933 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.521 3.275 13.336 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.350 5.603 13.443 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.837 5.149 12.684 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.488 6.937 11.351 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -10.108 5.586 10.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -11.587 7.643 10.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -12.253 6.081 10.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -11.870 6.813 12.422 1.00 0.00 H new ATOM 1361 N LYS A 87 -11.762 0.975 10.785 1.00 0.00 N ATOM 1362 CA LYS A 87 -13.121 0.452 10.658 1.00 0.00 C ATOM 1363 C LYS A 87 -13.581 0.471 9.196 1.00 0.00 C ATOM 1364 O LYS A 87 -13.861 -0.574 8.618 1.00 0.00 O ATOM 1365 CB LYS A 87 -14.094 1.255 11.551 1.00 0.00 C ATOM 1366 CG LYS A 87 -15.443 0.533 11.690 1.00 0.00 C ATOM 1367 CD LYS A 87 -16.445 1.323 12.548 1.00 0.00 C ATOM 1368 CE LYS A 87 -17.093 2.478 11.767 1.00 0.00 C ATOM 1369 NZ LYS A 87 -18.074 3.224 12.586 1.00 0.00 N ATOM 0 H LYS A 87 -11.430 1.465 9.954 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.121 -0.585 10.995 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -13.652 1.399 12.537 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -14.251 2.246 11.124 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -15.868 0.368 10.700 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -15.282 -0.449 12.135 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -17.222 0.649 12.909 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -15.935 1.721 13.426 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -16.317 3.161 11.421 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -17.588 2.082 10.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -18.486 3.993 12.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -18.829 2.580 12.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -17.597 3.625 13.419 1.00 0.00 H new ATOM 1383 N LYS A 88 -13.715 1.682 8.645 1.00 0.00 N ATOM 1384 CA LYS A 88 -14.272 1.963 7.319 1.00 0.00 C ATOM 1385 C LYS A 88 -13.806 3.327 6.780 1.00 0.00 C ATOM 1386 O LYS A 88 -13.662 3.488 5.574 1.00 0.00 O ATOM 1387 CB LYS A 88 -15.809 1.861 7.340 1.00 0.00 C ATOM 1388 CG LYS A 88 -16.342 0.502 6.846 1.00 0.00 C ATOM 1389 CD LYS A 88 -16.179 0.315 5.323 1.00 0.00 C ATOM 1390 CE LYS A 88 -15.221 -0.814 4.896 1.00 0.00 C ATOM 1391 NZ LYS A 88 -15.642 -2.154 5.348 1.00 0.00 N ATOM 0 H LYS A 88 -13.425 2.530 9.133 1.00 0.00 H new ATOM 0 HA LYS A 88 -13.892 1.205 6.634 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -16.163 2.033 8.357 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -16.226 2.653 6.719 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -15.816 -0.300 7.364 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -17.396 0.413 7.108 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -17.160 0.119 4.891 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -15.823 1.252 4.895 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -15.139 -0.816 3.809 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -14.227 -0.603 5.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -15.099 -2.879 4.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -15.468 -2.246 6.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -16.656 -2.282 5.156 1.00 0.00 H new ATOM 1405 N THR A 89 -13.588 4.337 7.636 1.00 0.00 N ATOM 1406 CA THR A 89 -12.992 5.604 7.229 1.00 0.00 C ATOM 1407 C THR A 89 -11.633 5.358 6.582 1.00 0.00 C ATOM 1408 O THR A 89 -11.259 6.029 5.629 1.00 0.00 O ATOM 1409 CB THR A 89 -12.770 6.492 8.461 1.00 0.00 C ATOM 1410 OG1 THR A 89 -13.686 6.196 9.502 1.00 0.00 O ATOM 1411 CG2 THR A 89 -12.812 7.978 8.098 1.00 0.00 C ATOM 0 H THR A 89 -13.822 4.291 8.628 1.00 0.00 H new ATOM 0 HA THR A 89 -13.666 6.089 6.523 1.00 0.00 H new ATOM 0 HB THR A 89 -11.771 6.268 8.834 1.00 0.00 H new ATOM 0 HG1 THR A 89 -13.857 7.006 10.027 1.00 0.00 H new ATOM 0 HG21 THR A 89 -12.651 8.576 8.995 1.00 0.00 H new ATOM 0 HG22 THR A 89 -12.030 8.197 7.371 1.00 0.00 H new ATOM 0 HG23 THR A 89 -13.785 8.221 7.670 1.00 0.00 H new ATOM 1419 N GLU A 90 -10.883 4.424 7.170 1.00 0.00 N ATOM 1420 CA GLU A 90 -9.589 3.975 6.710 1.00 0.00 C ATOM 1421 C GLU A 90 -9.506 3.828 5.196 1.00 0.00 C ATOM 1422 O GLU A 90 -8.656 4.464 4.585 1.00 0.00 O ATOM 1423 CB GLU A 90 -9.187 2.703 7.456 1.00 0.00 C ATOM 1424 CG GLU A 90 -10.256 1.643 7.783 1.00 0.00 C ATOM 1425 CD GLU A 90 -10.560 0.761 6.595 1.00 0.00 C ATOM 1426 OE1 GLU A 90 -9.749 -0.150 6.351 1.00 0.00 O ATOM 1427 OE2 GLU A 90 -11.579 1.068 5.943 1.00 0.00 O ATOM 0 H GLU A 90 -11.185 3.945 8.018 1.00 0.00 H new ATOM 0 HA GLU A 90 -8.862 4.752 6.946 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.410 2.213 6.869 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.731 3.008 8.398 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -9.913 1.027 8.614 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -11.170 2.139 8.110 1.00 0.00 H new ATOM 1434 N ARG A 91 -10.397 3.058 4.580 1.00 0.00 N ATOM 1435 CA ARG A 91 -10.374 2.858 3.129 1.00 0.00 C ATOM 1436 C ARG A 91 -10.391 4.196 2.371 1.00 0.00 C ATOM 1437 O ARG A 91 -9.973 4.266 1.222 1.00 0.00 O ATOM 1438 CB ARG A 91 -11.502 1.919 2.651 1.00 0.00 C ATOM 1439 CG ARG A 91 -12.820 2.663 2.395 1.00 0.00 C ATOM 1440 CD ARG A 91 -13.962 1.743 1.937 1.00 0.00 C ATOM 1441 NE ARG A 91 -15.287 2.361 2.148 1.00 0.00 N ATOM 1442 CZ ARG A 91 -15.658 3.590 1.745 1.00 0.00 C ATOM 1443 NH1 ARG A 91 -14.945 4.244 0.835 1.00 0.00 N ATOM 1444 NH2 ARG A 91 -16.741 4.181 2.259 1.00 0.00 N ATOM 0 H ARG A 91 -11.146 2.560 5.061 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.432 2.363 2.895 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -11.189 1.417 1.736 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -11.666 1.144 3.399 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -13.121 3.177 3.308 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -12.655 3.429 1.637 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -13.836 1.507 0.880 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -13.910 0.801 2.483 1.00 0.00 H new ATOM 0 HE ARG A 91 -15.984 1.806 2.644 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -14.110 3.815 0.437 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -15.233 5.175 0.535 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -17.297 3.700 2.966 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -17.011 5.113 1.945 1.00 0.00 H new ATOM 1458 N GLU A 92 -10.930 5.243 3.001 1.00 0.00 N ATOM 1459 CA GLU A 92 -11.126 6.569 2.454 1.00 0.00 C ATOM 1460 C GLU A 92 -10.013 7.542 2.878 1.00 0.00 C ATOM 1461 O GLU A 92 -9.862 8.620 2.303 1.00 0.00 O ATOM 1462 CB GLU A 92 -12.502 7.048 2.953 1.00 0.00 C ATOM 1463 CG GLU A 92 -13.157 7.964 1.924 1.00 0.00 C ATOM 1464 CD GLU A 92 -13.949 7.125 0.930 1.00 0.00 C ATOM 1465 OE1 GLU A 92 -13.346 6.642 -0.045 1.00 0.00 O ATOM 1466 OE2 GLU A 92 -15.132 6.834 1.228 1.00 0.00 O ATOM 0 H GLU A 92 -11.258 5.173 3.964 1.00 0.00 H new ATOM 0 HA GLU A 92 -11.088 6.538 1.365 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -13.145 6.189 3.144 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -12.388 7.578 3.899 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -13.816 8.676 2.422 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -12.397 8.545 1.402 1.00 0.00 H new ATOM 1473 N ASP A 93 -9.318 7.233 3.970 1.00 0.00 N ATOM 1474 CA ASP A 93 -8.248 8.034 4.566 1.00 0.00 C ATOM 1475 C ASP A 93 -6.874 7.603 4.044 1.00 0.00 C ATOM 1476 O ASP A 93 -6.109 8.408 3.523 1.00 0.00 O ATOM 1477 CB ASP A 93 -8.283 7.909 6.097 1.00 0.00 C ATOM 1478 CG ASP A 93 -8.454 9.270 6.736 1.00 0.00 C ATOM 1479 OD1 ASP A 93 -7.643 10.183 6.448 1.00 0.00 O ATOM 1480 OD2 ASP A 93 -9.466 9.415 7.451 1.00 0.00 O ATOM 0 H ASP A 93 -9.494 6.374 4.491 1.00 0.00 H new ATOM 0 HA ASP A 93 -8.411 9.074 4.282 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -9.102 7.255 6.396 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -7.361 7.448 6.451 1.00 0.00 H new ATOM 1485 N LEU A 94 -6.547 6.321 4.201 1.00 0.00 N ATOM 1486 CA LEU A 94 -5.292 5.693 3.779 1.00 0.00 C ATOM 1487 C LEU A 94 -5.052 5.979 2.305 1.00 0.00 C ATOM 1488 O LEU A 94 -4.004 6.479 1.892 1.00 0.00 O ATOM 1489 CB LEU A 94 -5.401 4.168 3.963 1.00 0.00 C ATOM 1490 CG LEU A 94 -4.983 3.614 5.331 1.00 0.00 C ATOM 1491 CD1 LEU A 94 -3.533 3.147 5.245 1.00 0.00 C ATOM 1492 CD2 LEU A 94 -5.121 4.588 6.496 1.00 0.00 C ATOM 0 H LEU A 94 -7.180 5.658 4.648 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.473 6.091 4.378 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.434 3.875 3.777 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.790 3.687 3.199 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.673 2.799 5.547 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.221 2.750 6.211 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.446 2.368 4.487 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.895 3.989 4.975 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.801 4.101 7.417 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.499 5.464 6.313 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.162 4.896 6.591 1.00 0.00 H new ATOM 1504 N ILE A 95 -6.076 5.680 1.513 1.00 0.00 N ATOM 1505 CA ILE A 95 -6.042 5.805 0.074 1.00 0.00 C ATOM 1506 C ILE A 95 -6.022 7.291 -0.303 1.00 0.00 C ATOM 1507 O ILE A 95 -5.738 7.615 -1.453 1.00 0.00 O ATOM 1508 CB ILE A 95 -7.213 4.981 -0.517 1.00 0.00 C ATOM 1509 CG1 ILE A 95 -6.952 3.468 -0.334 1.00 0.00 C ATOM 1510 CG2 ILE A 95 -7.415 5.229 -2.018 1.00 0.00 C ATOM 1511 CD1 ILE A 95 -7.399 2.822 0.979 1.00 0.00 C ATOM 0 H ILE A 95 -6.968 5.337 1.869 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.134 5.389 -0.363 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.105 5.302 0.021 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -7.445 2.942 -1.151 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -5.881 3.297 -0.444 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -8.248 4.625 -2.378 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.632 6.284 -2.187 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.509 4.954 -2.557 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -7.152 1.761 0.965 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -6.888 3.303 1.813 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -8.476 2.942 1.095 1.00 0.00 H new ATOM 1523 N ALA A 96 -6.241 8.207 0.656 1.00 0.00 N ATOM 1524 CA ALA A 96 -6.189 9.626 0.366 1.00 0.00 C ATOM 1525 C ALA A 96 -4.778 10.114 0.656 1.00 0.00 C ATOM 1526 O ALA A 96 -4.203 10.851 -0.142 1.00 0.00 O ATOM 1527 CB ALA A 96 -7.246 10.367 1.173 1.00 0.00 C ATOM 0 H ALA A 96 -6.453 7.980 1.627 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.414 9.821 -0.683 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.197 11.432 0.946 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.234 9.986 0.915 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -7.065 10.214 2.237 1.00 0.00 H new ATOM 1533 N TYR A 97 -4.186 9.652 1.765 1.00 0.00 N ATOM 1534 CA TYR A 97 -2.780 9.887 2.015 1.00 0.00 C ATOM 1535 C TYR A 97 -1.970 9.430 0.818 1.00 0.00 C ATOM 1536 O TYR A 97 -1.208 10.215 0.275 1.00 0.00 O ATOM 1537 CB TYR A 97 -2.258 9.172 3.263 1.00 0.00 C ATOM 1538 CG TYR A 97 -0.733 9.226 3.391 1.00 0.00 C ATOM 1539 CD1 TYR A 97 -0.020 10.373 2.982 1.00 0.00 C ATOM 1540 CD2 TYR A 97 -0.015 8.130 3.901 1.00 0.00 C ATOM 1541 CE1 TYR A 97 1.372 10.457 3.154 1.00 0.00 C ATOM 1542 CE2 TYR A 97 1.378 8.220 4.075 1.00 0.00 C ATOM 1543 CZ TYR A 97 2.081 9.370 3.683 1.00 0.00 C ATOM 1544 OH TYR A 97 3.429 9.483 3.860 1.00 0.00 O ATOM 0 H TYR A 97 -4.664 9.119 2.491 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.670 10.958 2.184 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -2.707 9.623 4.148 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.578 8.130 3.239 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -0.552 11.198 2.531 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.533 7.218 4.159 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.896 11.360 2.878 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.914 7.393 4.516 1.00 0.00 H new ATOM 0 HH TYR A 97 3.881 8.732 3.422 1.00 0.00 H new ATOM 1554 N LEU A 98 -2.098 8.174 0.398 1.00 0.00 N ATOM 1555 CA LEU A 98 -1.214 7.679 -0.650 1.00 0.00 C ATOM 1556 C LEU A 98 -1.414 8.414 -1.978 1.00 0.00 C ATOM 1557 O LEU A 98 -0.500 8.454 -2.804 1.00 0.00 O ATOM 1558 CB LEU A 98 -1.308 6.158 -0.765 1.00 0.00 C ATOM 1559 CG LEU A 98 -0.945 5.473 0.565 1.00 0.00 C ATOM 1560 CD1 LEU A 98 -1.110 3.959 0.407 1.00 0.00 C ATOM 1561 CD2 LEU A 98 0.476 5.799 1.048 1.00 0.00 C ATOM 0 H LEU A 98 -2.779 7.503 0.752 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.187 7.905 -0.362 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.319 5.875 -1.058 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.639 5.809 -1.551 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.623 5.860 1.326 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.855 3.465 1.345 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.143 3.731 0.146 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.449 3.601 -0.383 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.667 5.285 1.990 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.199 5.470 0.301 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.572 6.875 1.196 1.00 0.00 H new ATOM 1573 N LYS A 99 -2.565 9.070 -2.149 1.00 0.00 N ATOM 1574 CA LYS A 99 -2.858 9.885 -3.322 1.00 0.00 C ATOM 1575 C LYS A 99 -2.017 11.163 -3.358 1.00 0.00 C ATOM 1576 O LYS A 99 -1.850 11.748 -4.425 1.00 0.00 O ATOM 1577 CB LYS A 99 -4.369 10.174 -3.396 1.00 0.00 C ATOM 1578 CG LYS A 99 -4.957 9.462 -4.615 1.00 0.00 C ATOM 1579 CD LYS A 99 -6.480 9.315 -4.585 1.00 0.00 C ATOM 1580 CE LYS A 99 -7.252 10.631 -4.754 1.00 0.00 C ATOM 1581 NZ LYS A 99 -8.676 10.365 -5.046 1.00 0.00 N ATOM 0 H LYS A 99 -3.324 9.047 -1.468 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.578 9.322 -4.212 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -4.862 9.831 -2.486 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.543 11.248 -3.468 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.674 10.011 -5.513 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.510 8.471 -4.693 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.781 8.628 -5.376 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.769 8.858 -3.639 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -7.167 11.228 -3.846 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -6.812 11.215 -5.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -9.202 11.262 -5.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -8.760 9.904 -5.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -9.070 9.741 -4.313 1.00 0.00 H new ATOM 1595 N LYS A 100 -1.468 11.575 -2.210 1.00 0.00 N ATOM 1596 CA LYS A 100 -0.488 12.648 -2.105 1.00 0.00 C ATOM 1597 C LYS A 100 0.915 12.081 -1.850 1.00 0.00 C ATOM 1598 O LYS A 100 1.885 12.688 -2.273 1.00 0.00 O ATOM 1599 CB LYS A 100 -0.919 13.728 -1.090 1.00 0.00 C ATOM 1600 CG LYS A 100 -0.924 13.285 0.381 1.00 0.00 C ATOM 1601 CD LYS A 100 -1.103 14.460 1.363 1.00 0.00 C ATOM 1602 CE LYS A 100 -2.583 14.716 1.703 1.00 0.00 C ATOM 1603 NZ LYS A 100 -2.775 15.865 2.622 1.00 0.00 N ATOM 0 H LYS A 100 -1.702 11.158 -1.309 1.00 0.00 H new ATOM 0 HA LYS A 100 -0.440 13.166 -3.063 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -0.253 14.585 -1.192 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -1.920 14.070 -1.352 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -1.727 12.564 0.535 1.00 0.00 H new ATOM 0 HG3 LYS A 100 0.012 12.772 0.603 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -0.552 14.251 2.280 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -0.671 15.362 0.930 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -3.136 14.898 0.781 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -3.006 13.820 2.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -3.374 15.574 3.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -1.851 16.182 2.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -3.235 16.645 2.111 1.00 0.00 H new ATOM 1617 N ALA A 101 1.053 10.917 -1.203 1.00 0.00 N ATOM 1618 CA ALA A 101 2.349 10.314 -0.904 1.00 0.00 C ATOM 1619 C ALA A 101 3.056 9.898 -2.186 1.00 0.00 C ATOM 1620 O ALA A 101 4.270 10.010 -2.315 1.00 0.00 O ATOM 1621 CB ALA A 101 2.210 9.111 0.030 1.00 0.00 C ATOM 0 H ALA A 101 0.260 10.367 -0.872 1.00 0.00 H new ATOM 0 HA ALA A 101 2.948 11.069 -0.395 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.195 8.689 0.229 1.00 0.00 H new ATOM 0 HB2 ALA A 101 1.755 9.429 0.968 1.00 0.00 H new ATOM 0 HB3 ALA A 101 1.581 8.356 -0.441 1.00 0.00 H new ATOM 1627 N THR A 102 2.266 9.444 -3.162 1.00 0.00 N ATOM 1628 CA THR A 102 2.757 9.151 -4.497 1.00 0.00 C ATOM 1629 C THR A 102 3.338 10.399 -5.180 1.00 0.00 C ATOM 1630 O THR A 102 3.925 10.259 -6.253 1.00 0.00 O ATOM 1631 CB THR A 102 1.623 8.512 -5.316 1.00 0.00 C ATOM 1632 OG1 THR A 102 2.131 7.890 -6.478 1.00 0.00 O ATOM 1633 CG2 THR A 102 0.561 9.540 -5.724 1.00 0.00 C ATOM 0 H THR A 102 1.268 9.271 -3.042 1.00 0.00 H new ATOM 0 HA THR A 102 3.583 8.443 -4.429 1.00 0.00 H new ATOM 0 HB THR A 102 1.156 7.766 -4.673 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.408 7.774 -7.130 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.221 9.046 -6.301 1.00 0.00 H new ATOM 0 HG22 THR A 102 0.125 9.987 -4.831 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.023 10.319 -6.331 1.00 0.00 H new ATOM 1641 N ASN A 103 3.131 11.597 -4.613 1.00 0.00 N ATOM 1642 CA ASN A 103 3.656 12.860 -5.116 1.00 0.00 C ATOM 1643 C ASN A 103 3.857 13.853 -3.959 1.00 0.00 C ATOM 1644 O ASN A 103 3.215 14.903 -3.939 1.00 0.00 O ATOM 1645 CB ASN A 103 2.680 13.411 -6.166 1.00 0.00 C ATOM 1646 CG ASN A 103 3.164 14.720 -6.788 1.00 0.00 C ATOM 1647 OD1 ASN A 103 4.346 14.888 -7.066 1.00 0.00 O ATOM 1648 ND2 ASN A 103 2.250 15.653 -7.044 1.00 0.00 N ATOM 0 H ASN A 103 2.575 11.709 -3.765 1.00 0.00 H new ATOM 0 HA ASN A 103 4.629 12.705 -5.582 1.00 0.00 H new ATOM 0 HB2 ASN A 103 2.541 12.669 -6.952 1.00 0.00 H new ATOM 0 HB3 ASN A 103 1.706 13.571 -5.703 1.00 0.00 H new ATOM 0 HD21 ASN A 103 2.527 16.532 -7.481 1.00 0.00 H new ATOM 0 HD22 ASN A 103 1.273 15.489 -6.803 1.00 0.00 H new ATOM 1655 N GLU A 104 4.734 13.523 -3.004 1.00 0.00 N ATOM 1656 CA GLU A 104 5.272 14.470 -2.034 1.00 0.00 C ATOM 1657 C GLU A 104 6.797 14.441 -2.150 1.00 0.00 C ATOM 1658 O GLU A 104 7.294 13.449 -2.734 1.00 0.00 O ATOM 1659 CB GLU A 104 4.741 14.216 -0.608 1.00 0.00 C ATOM 1660 CG GLU A 104 5.180 12.913 0.094 1.00 0.00 C ATOM 1661 CD GLU A 104 6.010 13.144 1.354 1.00 0.00 C ATOM 1662 OE1 GLU A 104 5.572 13.984 2.173 1.00 0.00 O ATOM 1663 OE2 GLU A 104 7.021 12.428 1.519 1.00 0.00 O ATOM 1664 OXT GLU A 104 7.425 15.434 -1.721 1.00 0.00 O ATOM 0 H GLU A 104 5.092 12.575 -2.886 1.00 0.00 H new ATOM 0 HA GLU A 104 4.928 15.480 -2.256 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.045 15.055 0.019 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.652 14.226 -0.648 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.294 12.335 0.355 1.00 0.00 H new ATOM 0 HG3 GLU A 104 5.759 12.311 -0.606 1.00 0.00 H new TER 1671 GLU A 104 HETATM 1672 FE HEC A 105 2.126 -3.028 2.546 1.00 0.00 FE HETATM 1673 CHA HEC A 105 2.976 -3.854 -0.747 1.00 0.00 C HETATM 1674 CHB HEC A 105 0.147 -0.490 1.436 1.00 0.00 C HETATM 1675 CHC HEC A 105 1.343 -2.399 5.824 1.00 0.00 C HETATM 1676 CHD HEC A 105 4.318 -5.538 3.648 1.00 0.00 C HETATM 1677 NA HEC A 105 1.592 -2.341 0.660 1.00 0.00 N HETATM 1678 C1A HEC A 105 2.081 -2.805 -0.531 1.00 0.00 C HETATM 1679 C2A HEC A 105 1.547 -1.966 -1.579 1.00 0.00 C HETATM 1680 C3A HEC A 105 0.707 -1.052 -0.975 1.00 0.00 C HETATM 1681 C4A HEC A 105 0.785 -1.265 0.456 1.00 0.00 C HETATM 1682 CMA HEC A 105 -0.151 -0.028 -1.684 1.00 0.00 C HETATM 1683 CAA HEC A 105 1.878 -2.063 -3.061 1.00 0.00 C HETATM 1684 CBA HEC A 105 3.321 -1.676 -3.419 1.00 0.00 C HETATM 1685 CGA HEC A 105 3.552 -1.451 -4.909 1.00 0.00 C HETATM 1686 O1A HEC A 105 3.773 -2.457 -5.621 1.00 0.00 O HETATM 1687 O2A HEC A 105 3.505 -0.271 -5.317 1.00 0.00 O HETATM 1688 NB HEC A 105 0.980 -1.691 3.461 1.00 0.00 N HETATM 1689 C1B HEC A 105 0.256 -0.735 2.818 1.00 0.00 C HETATM 1690 C2B HEC A 105 -0.380 0.059 3.840 1.00 0.00 C HETATM 1691 C3B HEC A 105 -0.119 -0.532 5.061 1.00 0.00 C HETATM 1692 C4B HEC A 105 0.796 -1.611 4.813 1.00 0.00 C HETATM 1693 CMB HEC A 105 -1.071 1.369 3.595 1.00 0.00 C HETATM 1694 CAB HEC A 105 -0.786 -0.281 6.400 1.00 0.00 C HETATM 1695 CBB HEC A 105 -2.307 -0.414 6.310 1.00 0.00 C HETATM 1696 NC HEC A 105 2.703 -3.841 4.402 1.00 0.00 N HETATM 1697 C1C HEC A 105 2.255 -3.397 5.593 1.00 0.00 C HETATM 1698 C2C HEC A 105 2.911 -4.141 6.636 1.00 0.00 C HETATM 1699 C3C HEC A 105 3.855 -4.927 6.021 1.00 0.00 C HETATM 1700 C4C HEC A 105 3.629 -4.813 4.600 1.00 0.00 C HETATM 1701 CMC HEC A 105 2.642 -4.027 8.117 1.00 0.00 C HETATM 1702 CAC HEC A 105 5.061 -5.571 6.667 1.00 0.00 C HETATM 1703 CBC HEC A 105 4.740 -6.855 7.430 1.00 0.00 C HETATM 1704 ND HEC A 105 3.361 -4.481 1.620 1.00 0.00 N HETATM 1705 C1D HEC A 105 4.142 -5.371 2.285 1.00 0.00 C HETATM 1706 C2D HEC A 105 4.857 -6.148 1.314 1.00 0.00 C HETATM 1707 C3D HEC A 105 4.426 -5.749 0.069 1.00 0.00 C HETATM 1708 C4D HEC A 105 3.531 -4.629 0.272 1.00 0.00 C HETATM 1709 CMD HEC A 105 5.921 -7.154 1.663 1.00 0.00 C HETATM 1710 CAD HEC A 105 4.763 -6.420 -1.245 1.00 0.00 C HETATM 1711 CBD HEC A 105 3.546 -7.005 -1.977 1.00 0.00 C HETATM 1712 CGD HEC A 105 2.927 -6.025 -2.963 1.00 0.00 C HETATM 1713 O1D HEC A 105 1.749 -5.663 -2.747 1.00 0.00 O HETATM 1714 O2D HEC A 105 3.662 -5.605 -3.877 1.00 0.00 O HETATM 0 HMD3 HEC A 105 6.733 -6.656 2.193 1.00 0.00 H new HETATM 0 HMD2 HEC A 105 5.494 -7.929 2.299 1.00 0.00 H new HETATM 0 HMD1 HEC A 105 6.307 -7.607 0.750 1.00 0.00 H new HETATM 0 HMC3 HEC A 105 2.840 -3.007 8.445 1.00 0.00 H new HETATM 0 HMC2 HEC A 105 1.600 -4.278 8.318 1.00 0.00 H new HETATM 0 HMC1 HEC A 105 3.292 -4.715 8.659 1.00 0.00 H new HETATM 0 HMB3 HEC A 105 -0.361 2.083 3.177 1.00 0.00 H new HETATM 0 HMB2 HEC A 105 -1.892 1.222 2.893 1.00 0.00 H new HETATM 0 HMB1 HEC A 105 -1.463 1.755 4.536 1.00 0.00 H new HETATM 0 HMA3 HEC A 105 0.485 0.638 -2.268 1.00 0.00 H new HETATM 0 HMA2 HEC A 105 -0.850 -0.536 -2.348 1.00 0.00 H new HETATM 0 HMA1 HEC A 105 -0.706 0.553 -0.948 1.00 0.00 H new HETATM 0 HBD2 HEC A 105 3.846 -7.908 -2.509 1.00 0.00 H new HETATM 0 HBD1 HEC A 105 2.795 -7.301 -1.245 1.00 0.00 H new HETATM 0 HBC3 HEC A 105 4.026 -6.637 8.224 1.00 0.00 H new HETATM 0 HBC2 HEC A 105 4.310 -7.587 6.746 1.00 0.00 H new HETATM 0 HBC1 HEC A 105 5.655 -7.258 7.865 1.00 0.00 H new HETATM 0 HBB3 HEC A 105 -2.694 0.311 5.594 1.00 0.00 H new HETATM 0 HBB2 HEC A 105 -2.565 -1.421 5.982 1.00 0.00 H new HETATM 0 HBB1 HEC A 105 -2.747 -0.227 7.289 1.00 0.00 H new HETATM 0 HBA2 HEC A 105 3.587 -0.767 -2.879 1.00 0.00 H new HETATM 0 HBA1 HEC A 105 3.993 -2.461 -3.072 1.00 0.00 H new HETATM 0 HAD2 HEC A 105 5.252 -5.696 -1.896 1.00 0.00 H new HETATM 0 HAD1 HEC A 105 5.481 -7.219 -1.060 1.00 0.00 H new HETATM 0 HAA2 HEC A 105 1.696 -3.085 -3.395 1.00 0.00 H new HETATM 0 HAA1 HEC A 105 1.195 -1.420 -3.616 1.00 0.00 H new HETATM 0 HHD HEC A 105 5.039 -6.282 3.988 1.00 0.00 H new HETATM 0 HHC HEC A 105 1.030 -2.213 6.851 1.00 0.00 H new HETATM 0 HHB HEC A 105 -0.468 0.349 1.109 1.00 0.00 H new HETATM 0 HHA HEC A 105 3.259 -4.082 -1.775 1.00 0.00 H new HETATM 0 H2A HEC A 105 2.706 -0.148 -5.871 1.00 0.00 H new