USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 883 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 104 HECFE :(H bumps) USER MOD NoAdj-H: A 104 HEC HAC : A 104 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 104 HEC HAB : A 104 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: A 49 THR OG1 : rot 180:sc= 1.17 USER MOD Set 1.2: A 104 HEC O2D : rot -175:sc= 1.2 USER MOD Set 2.1: A 52 ASN : amide:sc= -0.289 K(o=-0.28,f=-3) USER MOD Set 2.2: A 104 HEC O2A : rot -16:sc= 0.0135 USER MOD Set 3.1: A 19 THR OG1 : rot -115:sc= -0.105 USER MOD Set 3.2: A 26 HIS : no HE2:sc= 0.656 K(o=0.62,f=-9.8!) USER MOD Set 3.3: A 31 ASN : amide:sc= 0.0711 K(o=0.62,f=-3.6) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 166:sc= 1.27 (180deg=0.945) USER MOD Single : A 8 THR OG1 : rot -77:sc= 1 USER MOD Single : A -2 LYS NZ :NH3+ 174:sc= 1.32 (180deg=1.12) USER MOD Single : A -5 THR N :NH3+ 151:sc= 1.33 (180deg=0.61) USER MOD Single : A -5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -50:sc= 0.436 USER MOD Single : A 16 GLN : amide:sc=-0.00109 X(o=-0.0011,f=-0.11) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -179:sc= 1.36 (180deg=1.35) USER MOD Single : A 33 HIS : no HE2:sc= 0.15 K(o=0.15,f=-1.3) USER MOD Single : A 39 HIS : no HE2:sc= -0.0146 X(o=-0.015,f=-0.44) USER MOD Single : A 40 SER OG : rot 82:sc= 1.6 USER MOD Single : A 42 GLN : amide:sc= 0.592 K(o=0.59,f=-3.4!) USER MOD Single : A 46 TYR OH : rot -150:sc= 0.909 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 137:sc= 1.51 USER MOD Single : A 54 LYS NZ :NH3+ -138:sc= 0.523 (180deg=-0.931!) USER MOD Single : A 55 LYS NZ :NH3+ 139:sc= 1.96 (180deg=0.794) USER MOD Single : A 56 ASN : amide:sc= -0.597 X(o=-0.6,f=-0.49) USER MOD Single : A 62 ASN : amide:sc= 0.401 X(o=0.4,f=0) USER MOD Single : A 63 ASN : amide:sc= -1.17! K(o=-1.2!,f=-1.9) USER MOD Single : A 64 MET CE :methyl -147:sc= -1.34 (180deg=-3.76!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot -115:sc= 0.287 USER MOD Single : A 69 THR OG1 : rot 83:sc= 1.33 USER MOD Single : A 70 ASN : amide:sc= -0.247 K(o=-0.25,f=-2.5!) USER MOD Single : A 72 LYS NZ :NH3+ -148:sc= 0.183 (180deg=-1.55!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 69:sc= 1.62 USER MOD Single : A 79 LYS NZ :NH3+ 140:sc= 1.21 (180deg=0.611) USER MOD Single : A 80 MET CE :methyl -179:sc= 0 (180deg=-0.000633) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.0222 K(o=-0.022,f=-1.2) USER MOD Single : A 96 THR OG1 : rot 76:sc= 1.83 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -161:sc= 1.06 (180deg=-0.198!) USER MOD Single : A 100 LYS NZ :NH3+ -175:sc= 1.03 (180deg=0.694) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.304 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 -11.754 -7.517 11.953 1.00 0.00 N ATOM 2 CA THR A -5 -10.662 -8.493 11.751 1.00 0.00 C ATOM 3 C THR A -5 -11.249 -9.847 11.425 1.00 0.00 C ATOM 4 O THR A -5 -12.334 -10.153 11.909 1.00 0.00 O ATOM 5 CB THR A -5 -9.765 -8.623 12.981 1.00 0.00 C ATOM 6 OG1 THR A -5 -10.517 -8.417 14.149 1.00 0.00 O ATOM 7 CG2 THR A -5 -8.653 -7.582 12.977 1.00 0.00 C ATOM 0 H1 THR A -5 -11.443 -6.781 12.618 1.00 0.00 H new ATOM 0 H2 THR A -5 -12.001 -7.079 11.043 1.00 0.00 H new ATOM 0 H3 THR A -5 -12.587 -8.004 12.341 1.00 0.00 H new ATOM 0 HA THR A -5 -10.049 -8.129 10.927 1.00 0.00 H new ATOM 0 HB THR A -5 -9.335 -9.624 12.955 1.00 0.00 H new ATOM 0 HG1 THR A -5 -9.935 -8.504 14.932 1.00 0.00 H new ATOM 0 HG21 THR A -5 -8.036 -7.706 13.867 1.00 0.00 H new ATOM 0 HG22 THR A -5 -8.037 -7.711 12.087 1.00 0.00 H new ATOM 0 HG23 THR A -5 -9.090 -6.583 12.974 1.00 0.00 H new ATOM 17 N GLU A -4 -10.530 -10.615 10.599 1.00 0.00 N ATOM 18 CA GLU A -4 -11.028 -11.523 9.554 1.00 0.00 C ATOM 19 C GLU A -4 -10.847 -10.743 8.249 1.00 0.00 C ATOM 20 O GLU A -4 -11.530 -9.741 8.037 1.00 0.00 O ATOM 21 CB GLU A -4 -12.502 -11.974 9.684 1.00 0.00 C ATOM 22 CG GLU A -4 -12.860 -13.028 8.616 1.00 0.00 C ATOM 23 CD GLU A -4 -14.370 -13.227 8.414 1.00 0.00 C ATOM 24 OE1 GLU A -4 -15.204 -12.634 9.136 1.00 0.00 O ATOM 25 OE2 GLU A -4 -14.770 -13.954 7.474 1.00 0.00 O ATOM 0 H GLU A -4 -9.511 -10.620 10.645 1.00 0.00 H new ATOM 0 HA GLU A -4 -10.472 -12.458 9.619 1.00 0.00 H new ATOM 0 HB2 GLU A -4 -12.672 -12.388 10.678 1.00 0.00 H new ATOM 0 HB3 GLU A -4 -13.159 -11.111 9.581 1.00 0.00 H new ATOM 0 HG2 GLU A -4 -12.413 -12.734 7.666 1.00 0.00 H new ATOM 0 HG3 GLU A -4 -12.413 -13.981 8.897 1.00 0.00 H new ATOM 32 N PHE A -3 -9.911 -11.161 7.394 1.00 0.00 N ATOM 33 CA PHE A -3 -9.897 -10.747 5.985 1.00 0.00 C ATOM 34 C PHE A -3 -11.145 -11.301 5.266 1.00 0.00 C ATOM 35 O PHE A -3 -11.100 -12.261 4.498 1.00 0.00 O ATOM 36 CB PHE A -3 -8.576 -11.145 5.297 1.00 0.00 C ATOM 37 CG PHE A -3 -8.536 -10.837 3.805 1.00 0.00 C ATOM 38 CD1 PHE A -3 -8.928 -9.572 3.326 1.00 0.00 C ATOM 39 CD2 PHE A -3 -8.168 -11.837 2.886 1.00 0.00 C ATOM 40 CE1 PHE A -3 -9.017 -9.333 1.946 1.00 0.00 C ATOM 41 CE2 PHE A -3 -8.236 -11.593 1.502 1.00 0.00 C ATOM 42 CZ PHE A -3 -8.683 -10.347 1.031 1.00 0.00 C ATOM 0 H PHE A -3 -9.149 -11.788 7.652 1.00 0.00 H new ATOM 0 HA PHE A -3 -9.944 -9.659 5.928 1.00 0.00 H new ATOM 0 HB2 PHE A -3 -7.752 -10.625 5.787 1.00 0.00 H new ATOM 0 HB3 PHE A -3 -8.410 -12.213 5.442 1.00 0.00 H new ATOM 0 HD1 PHE A -3 -9.161 -8.782 4.024 1.00 0.00 H new ATOM 0 HD2 PHE A -3 -7.831 -12.798 3.245 1.00 0.00 H new ATOM 0 HE1 PHE A -3 -9.343 -8.368 1.586 1.00 0.00 H new ATOM 0 HE2 PHE A -3 -7.945 -12.363 0.802 1.00 0.00 H new ATOM 0 HZ PHE A -3 -8.770 -10.169 -0.031 1.00 0.00 H new ATOM 52 N LYS A -2 -12.306 -10.716 5.579 1.00 0.00 N ATOM 53 CA LYS A -2 -13.606 -11.077 5.022 1.00 0.00 C ATOM 54 C LYS A -2 -13.667 -10.549 3.592 1.00 0.00 C ATOM 55 O LYS A -2 -14.062 -9.405 3.368 1.00 0.00 O ATOM 56 CB LYS A -2 -14.726 -10.572 5.946 1.00 0.00 C ATOM 57 CG LYS A -2 -16.038 -11.323 5.674 1.00 0.00 C ATOM 58 CD LYS A -2 -17.088 -11.043 6.765 1.00 0.00 C ATOM 59 CE LYS A -2 -18.028 -12.240 6.982 1.00 0.00 C ATOM 60 NZ LYS A -2 -17.339 -13.333 7.709 1.00 0.00 N ATOM 0 H LYS A -2 -12.364 -9.951 6.252 1.00 0.00 H new ATOM 0 HA LYS A -2 -13.749 -12.156 4.969 1.00 0.00 H new ATOM 0 HB2 LYS A -2 -14.433 -10.708 6.987 1.00 0.00 H new ATOM 0 HB3 LYS A -2 -14.875 -9.503 5.793 1.00 0.00 H new ATOM 0 HG2 LYS A -2 -16.433 -11.026 4.703 1.00 0.00 H new ATOM 0 HG3 LYS A -2 -15.841 -12.394 5.624 1.00 0.00 H new ATOM 0 HD2 LYS A -2 -16.583 -10.804 7.701 1.00 0.00 H new ATOM 0 HD3 LYS A -2 -17.675 -10.167 6.487 1.00 0.00 H new ATOM 0 HE2 LYS A -2 -18.905 -11.921 7.545 1.00 0.00 H new ATOM 0 HE3 LYS A -2 -18.384 -12.607 6.019 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 -18.021 -14.086 7.932 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 -16.579 -13.720 7.114 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 -16.933 -12.961 8.591 1.00 0.00 H new ATOM 74 N ALA A -1 -13.151 -11.364 2.673 1.00 0.00 N ATOM 75 CA ALA A -1 -12.797 -10.987 1.306 1.00 0.00 C ATOM 76 C ALA A -1 -13.915 -10.225 0.572 1.00 0.00 C ATOM 77 O ALA A -1 -15.105 -10.515 0.734 1.00 0.00 O ATOM 78 CB ALA A -1 -12.389 -12.254 0.543 1.00 0.00 C ATOM 0 H ALA A -1 -12.960 -12.347 2.869 1.00 0.00 H new ATOM 0 HA ALA A -1 -11.962 -10.288 1.352 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -12.121 -11.992 -0.481 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -11.533 -12.715 1.035 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -13.223 -12.956 0.531 1.00 0.00 H new ATOM 84 N GLY A 1 -13.511 -9.274 -0.274 1.00 0.00 N ATOM 85 CA GLY A 1 -14.396 -8.463 -1.100 1.00 0.00 C ATOM 86 C GLY A 1 -14.458 -8.979 -2.536 1.00 0.00 C ATOM 87 O GLY A 1 -14.339 -10.171 -2.816 1.00 0.00 O ATOM 0 H GLY A 1 -12.526 -9.043 -0.404 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.397 -8.463 -0.670 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.049 -7.430 -1.099 1.00 0.00 H new ATOM 91 N SER A 2 -14.641 -8.064 -3.481 1.00 0.00 N ATOM 92 CA SER A 2 -14.749 -8.348 -4.912 1.00 0.00 C ATOM 93 C SER A 2 -13.730 -7.518 -5.687 1.00 0.00 C ATOM 94 O SER A 2 -13.812 -6.291 -5.707 1.00 0.00 O ATOM 95 CB SER A 2 -16.179 -8.074 -5.381 1.00 0.00 C ATOM 96 OG SER A 2 -16.401 -8.639 -6.664 1.00 0.00 O ATOM 0 H SER A 2 -14.721 -7.070 -3.268 1.00 0.00 H new ATOM 0 HA SER A 2 -14.528 -9.399 -5.099 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.888 -8.491 -4.666 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.357 -6.999 -5.415 1.00 0.00 H new ATOM 0 HG SER A 2 -17.321 -8.456 -6.947 1.00 0.00 H new ATOM 102 N ALA A 3 -12.764 -8.163 -6.354 1.00 0.00 N ATOM 103 CA ALA A 3 -11.612 -7.479 -6.957 1.00 0.00 C ATOM 104 C ALA A 3 -11.978 -6.284 -7.871 1.00 0.00 C ATOM 105 O ALA A 3 -11.203 -5.340 -7.954 1.00 0.00 O ATOM 106 CB ALA A 3 -10.747 -8.511 -7.688 1.00 0.00 C ATOM 0 H ALA A 3 -12.759 -9.174 -6.491 1.00 0.00 H new ATOM 0 HA ALA A 3 -11.047 -7.024 -6.143 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -9.889 -8.013 -8.139 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -10.399 -9.262 -6.979 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -11.337 -8.994 -8.467 1.00 0.00 H new ATOM 112 N LYS A 4 -13.174 -6.253 -8.484 1.00 0.00 N ATOM 113 CA LYS A 4 -13.688 -5.096 -9.250 1.00 0.00 C ATOM 114 C LYS A 4 -14.057 -3.851 -8.432 1.00 0.00 C ATOM 115 O LYS A 4 -13.899 -2.724 -8.903 1.00 0.00 O ATOM 116 CB LYS A 4 -14.815 -5.545 -10.200 1.00 0.00 C ATOM 117 CG LYS A 4 -16.088 -6.061 -9.500 1.00 0.00 C ATOM 118 CD LYS A 4 -17.013 -6.763 -10.508 1.00 0.00 C ATOM 119 CE LYS A 4 -18.258 -7.385 -9.854 1.00 0.00 C ATOM 120 NZ LYS A 4 -19.313 -6.381 -9.558 1.00 0.00 N ATOM 0 H LYS A 4 -13.822 -7.040 -8.463 1.00 0.00 H new ATOM 0 HA LYS A 4 -12.842 -4.741 -9.838 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -15.085 -4.706 -10.841 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -14.431 -6.332 -10.849 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -15.816 -6.754 -8.704 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -16.615 -5.229 -9.033 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -17.328 -6.044 -11.264 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -16.453 -7.543 -11.024 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -18.666 -8.151 -10.514 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -17.967 -7.883 -8.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -20.129 -6.854 -9.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -18.936 -5.663 -8.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -19.614 -5.922 -10.442 1.00 0.00 H new ATOM 134 N LYS A 5 -14.519 -4.045 -7.203 1.00 0.00 N ATOM 135 CA LYS A 5 -14.699 -2.984 -6.192 1.00 0.00 C ATOM 136 C LYS A 5 -13.340 -2.487 -5.712 1.00 0.00 C ATOM 137 O LYS A 5 -13.091 -1.290 -5.773 1.00 0.00 O ATOM 138 CB LYS A 5 -15.547 -3.468 -5.001 1.00 0.00 C ATOM 139 CG LYS A 5 -17.054 -3.222 -5.157 1.00 0.00 C ATOM 140 CD LYS A 5 -17.497 -1.787 -4.808 1.00 0.00 C ATOM 141 CE LYS A 5 -17.903 -1.586 -3.334 1.00 0.00 C ATOM 142 NZ LYS A 5 -16.755 -1.466 -2.404 1.00 0.00 N ATOM 0 H LYS A 5 -14.790 -4.967 -6.862 1.00 0.00 H new ATOM 0 HA LYS A 5 -15.238 -2.161 -6.662 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -15.378 -4.535 -4.860 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -15.201 -2.968 -4.097 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -17.342 -3.440 -6.185 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -17.594 -3.923 -4.520 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -16.684 -1.101 -5.045 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -18.339 -1.515 -5.444 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -18.516 -0.688 -3.256 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -18.525 -2.425 -3.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -17.087 -1.101 -1.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -16.320 -2.401 -2.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -16.052 -0.812 -2.803 1.00 0.00 H new ATOM 156 N GLY A 6 -12.449 -3.396 -5.313 1.00 0.00 N ATOM 157 CA GLY A 6 -11.061 -3.054 -4.980 1.00 0.00 C ATOM 158 C GLY A 6 -10.340 -2.261 -6.076 1.00 0.00 C ATOM 159 O GLY A 6 -9.734 -1.234 -5.786 1.00 0.00 O ATOM 0 H GLY A 6 -12.666 -4.387 -5.211 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -11.051 -2.473 -4.058 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -10.507 -3.972 -4.785 1.00 0.00 H new ATOM 163 N ALA A 7 -10.466 -2.689 -7.335 1.00 0.00 N ATOM 164 CA ALA A 7 -9.919 -2.016 -8.511 1.00 0.00 C ATOM 165 C ALA A 7 -10.452 -0.588 -8.665 1.00 0.00 C ATOM 166 O ALA A 7 -9.679 0.364 -8.711 1.00 0.00 O ATOM 167 CB ALA A 7 -10.244 -2.840 -9.765 1.00 0.00 C ATOM 0 H ALA A 7 -10.970 -3.544 -7.569 1.00 0.00 H new ATOM 0 HA ALA A 7 -8.839 -1.941 -8.381 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.837 -2.340 -10.644 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.801 -3.832 -9.674 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -11.325 -2.934 -9.869 1.00 0.00 H new ATOM 173 N THR A 8 -11.774 -0.417 -8.757 1.00 0.00 N ATOM 174 CA THR A 8 -12.391 0.916 -8.911 1.00 0.00 C ATOM 175 C THR A 8 -12.073 1.870 -7.755 1.00 0.00 C ATOM 176 O THR A 8 -11.948 3.070 -7.990 1.00 0.00 O ATOM 177 CB THR A 8 -13.911 0.844 -9.138 1.00 0.00 C ATOM 178 OG1 THR A 8 -14.540 -0.058 -8.258 1.00 0.00 O ATOM 179 CG2 THR A 8 -14.235 0.357 -10.549 1.00 0.00 C ATOM 0 H THR A 8 -12.445 -1.185 -8.728 1.00 0.00 H new ATOM 0 HA THR A 8 -11.933 1.329 -9.810 1.00 0.00 H new ATOM 0 HB THR A 8 -14.277 1.857 -8.970 1.00 0.00 H new ATOM 0 HG1 THR A 8 -14.380 -0.976 -8.561 1.00 0.00 H new ATOM 0 HG21 THR A 8 -15.316 0.316 -10.680 1.00 0.00 H new ATOM 0 HG22 THR A 8 -13.806 1.044 -11.278 1.00 0.00 H new ATOM 0 HG23 THR A 8 -13.814 -0.637 -10.696 1.00 0.00 H new ATOM 187 N LEU A 9 -11.865 1.360 -6.537 1.00 0.00 N ATOM 188 CA LEU A 9 -11.464 2.108 -5.355 1.00 0.00 C ATOM 189 C LEU A 9 -9.984 2.513 -5.437 1.00 0.00 C ATOM 190 O LEU A 9 -9.679 3.701 -5.378 1.00 0.00 O ATOM 191 CB LEU A 9 -11.821 1.273 -4.106 1.00 0.00 C ATOM 192 CG LEU A 9 -12.000 2.154 -2.859 1.00 0.00 C ATOM 193 CD1 LEU A 9 -13.370 1.950 -2.207 1.00 0.00 C ATOM 194 CD2 LEU A 9 -10.931 1.916 -1.792 1.00 0.00 C ATOM 0 H LEU A 9 -11.979 0.365 -6.346 1.00 0.00 H new ATOM 0 HA LEU A 9 -12.008 3.050 -5.287 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -12.739 0.716 -4.292 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -11.035 0.540 -3.923 1.00 0.00 H new ATOM 0 HG LEU A 9 -11.906 3.175 -3.229 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -13.455 2.591 -1.330 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -14.154 2.205 -2.920 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -13.478 0.908 -1.906 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -11.116 2.569 -0.939 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -10.967 0.876 -1.467 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.947 2.133 -2.208 1.00 0.00 H new ATOM 206 N PHE A 10 -9.067 1.566 -5.672 1.00 0.00 N ATOM 207 CA PHE A 10 -7.644 1.824 -5.966 1.00 0.00 C ATOM 208 C PHE A 10 -7.476 2.935 -7.009 1.00 0.00 C ATOM 209 O PHE A 10 -6.732 3.901 -6.794 1.00 0.00 O ATOM 210 CB PHE A 10 -6.953 0.530 -6.446 1.00 0.00 C ATOM 211 CG PHE A 10 -5.480 0.690 -6.783 1.00 0.00 C ATOM 212 CD1 PHE A 10 -4.525 0.724 -5.751 1.00 0.00 C ATOM 213 CD2 PHE A 10 -5.052 0.790 -8.123 1.00 0.00 C ATOM 214 CE1 PHE A 10 -3.166 0.926 -6.050 1.00 0.00 C ATOM 215 CE2 PHE A 10 -3.683 0.936 -8.419 1.00 0.00 C ATOM 216 CZ PHE A 10 -2.742 1.042 -7.381 1.00 0.00 C ATOM 0 H PHE A 10 -9.296 0.572 -5.664 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.170 2.160 -5.044 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -7.055 -0.230 -5.671 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -7.476 0.159 -7.327 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.837 0.594 -4.725 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -5.776 0.755 -8.924 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.444 0.992 -5.249 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.355 0.967 -9.448 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.700 1.212 -7.607 1.00 0.00 H new ATOM 226 N LYS A 11 -8.232 2.820 -8.110 1.00 0.00 N ATOM 227 CA LYS A 11 -8.241 3.720 -9.276 1.00 0.00 C ATOM 228 C LYS A 11 -8.606 5.183 -8.973 1.00 0.00 C ATOM 229 O LYS A 11 -8.303 6.041 -9.796 1.00 0.00 O ATOM 230 CB LYS A 11 -9.164 3.089 -10.335 1.00 0.00 C ATOM 231 CG LYS A 11 -9.022 3.661 -11.751 1.00 0.00 C ATOM 232 CD LYS A 11 -9.875 2.837 -12.732 1.00 0.00 C ATOM 233 CE LYS A 11 -9.615 3.207 -14.197 1.00 0.00 C ATOM 234 NZ LYS A 11 -10.017 4.602 -14.510 1.00 0.00 N ATOM 0 H LYS A 11 -8.893 2.051 -8.219 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.219 3.806 -9.646 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.968 2.017 -10.372 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.198 3.213 -10.013 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.339 4.704 -11.766 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.976 3.641 -12.058 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.666 1.777 -12.587 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.930 2.988 -12.505 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.555 3.079 -14.418 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.161 2.521 -14.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.821 4.803 -15.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -11.034 4.720 -14.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.478 5.261 -13.913 1.00 0.00 H new ATOM 248 N THR A 12 -9.181 5.475 -7.800 1.00 0.00 N ATOM 249 CA THR A 12 -9.571 6.822 -7.333 1.00 0.00 C ATOM 250 C THR A 12 -9.119 7.136 -5.895 1.00 0.00 C ATOM 251 O THR A 12 -9.646 8.058 -5.267 1.00 0.00 O ATOM 252 CB THR A 12 -11.086 7.026 -7.525 1.00 0.00 C ATOM 253 OG1 THR A 12 -11.415 8.388 -7.416 1.00 0.00 O ATOM 254 CG2 THR A 12 -11.949 6.255 -6.523 1.00 0.00 C ATOM 0 H THR A 12 -9.399 4.750 -7.116 1.00 0.00 H new ATOM 0 HA THR A 12 -9.037 7.543 -7.952 1.00 0.00 H new ATOM 0 HB THR A 12 -11.302 6.639 -8.521 1.00 0.00 H new ATOM 0 HG1 THR A 12 -11.019 8.756 -6.598 1.00 0.00 H new ATOM 0 HG21 THR A 12 -13.002 6.451 -6.724 1.00 0.00 H new ATOM 0 HG22 THR A 12 -11.753 5.187 -6.620 1.00 0.00 H new ATOM 0 HG23 THR A 12 -11.707 6.577 -5.510 1.00 0.00 H new ATOM 262 N ARG A 13 -8.170 6.360 -5.345 1.00 0.00 N ATOM 263 CA ARG A 13 -7.628 6.521 -3.979 1.00 0.00 C ATOM 264 C ARG A 13 -6.102 6.447 -3.899 1.00 0.00 C ATOM 265 O ARG A 13 -5.505 7.188 -3.129 1.00 0.00 O ATOM 266 CB ARG A 13 -8.209 5.441 -3.048 1.00 0.00 C ATOM 267 CG ARG A 13 -9.729 5.454 -2.826 1.00 0.00 C ATOM 268 CD ARG A 13 -10.256 6.576 -1.924 1.00 0.00 C ATOM 269 NE ARG A 13 -11.565 6.184 -1.349 1.00 0.00 N ATOM 270 CZ ARG A 13 -12.648 6.909 -1.137 1.00 0.00 C ATOM 271 NH1 ARG A 13 -12.713 8.178 -1.431 1.00 0.00 N ATOM 272 NH2 ARG A 13 -13.713 6.363 -0.610 1.00 0.00 N ATOM 0 H ARG A 13 -7.745 5.582 -5.849 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.924 7.523 -3.667 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.934 4.465 -3.448 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.724 5.535 -2.076 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.219 5.531 -3.796 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.024 4.497 -2.395 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.543 6.778 -1.125 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.361 7.497 -2.497 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.641 5.204 -1.075 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.906 8.648 -1.842 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.570 8.700 -1.250 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.709 5.374 -0.361 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.548 6.926 -0.448 1.00 0.00 H new ATOM 286 N CYS A 14 -5.487 5.529 -4.648 1.00 0.00 N ATOM 287 CA CYS A 14 -4.068 5.167 -4.522 1.00 0.00 C ATOM 288 C CYS A 14 -3.320 5.332 -5.849 1.00 0.00 C ATOM 289 O CYS A 14 -2.179 5.804 -5.871 1.00 0.00 O ATOM 290 CB CYS A 14 -3.932 3.704 -4.085 1.00 0.00 C ATOM 291 SG CYS A 14 -5.130 3.021 -2.893 1.00 0.00 S ATOM 0 H CYS A 14 -5.970 5.003 -5.376 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.635 5.836 -3.779 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -3.974 3.087 -4.983 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.937 3.579 -3.659 1.00 0.00 H new ATOM 296 N LEU A 15 -3.969 4.979 -6.970 1.00 0.00 N ATOM 297 CA LEU A 15 -3.394 5.010 -8.320 1.00 0.00 C ATOM 298 C LEU A 15 -2.820 6.381 -8.712 1.00 0.00 C ATOM 299 O LEU A 15 -1.872 6.455 -9.487 1.00 0.00 O ATOM 300 CB LEU A 15 -4.452 4.511 -9.314 1.00 0.00 C ATOM 301 CG LEU A 15 -3.970 4.491 -10.774 1.00 0.00 C ATOM 302 CD1 LEU A 15 -2.796 3.556 -11.060 1.00 0.00 C ATOM 303 CD2 LEU A 15 -5.132 4.099 -11.685 1.00 0.00 C ATOM 0 H LEU A 15 -4.936 4.655 -6.959 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.531 4.344 -8.341 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.759 3.505 -9.029 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.334 5.147 -9.241 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.609 5.501 -10.970 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.533 3.615 -12.116 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.939 3.852 -10.455 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.078 2.532 -10.813 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.793 4.084 -12.721 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.494 3.109 -11.407 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.939 4.824 -11.578 1.00 0.00 H new ATOM 315 N GLN A 16 -3.293 7.471 -8.108 1.00 0.00 N ATOM 316 CA GLN A 16 -2.680 8.798 -8.201 1.00 0.00 C ATOM 317 C GLN A 16 -1.172 8.806 -7.862 1.00 0.00 C ATOM 318 O GLN A 16 -0.361 9.242 -8.683 1.00 0.00 O ATOM 319 CB GLN A 16 -3.512 9.796 -7.371 1.00 0.00 C ATOM 320 CG GLN A 16 -3.696 9.439 -5.879 1.00 0.00 C ATOM 321 CD GLN A 16 -4.883 10.166 -5.251 1.00 0.00 C ATOM 322 OE1 GLN A 16 -6.000 10.113 -5.731 1.00 0.00 O ATOM 323 NE2 GLN A 16 -4.712 10.838 -4.137 1.00 0.00 N ATOM 0 H GLN A 16 -4.131 7.457 -7.527 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.702 9.119 -9.242 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.039 10.776 -7.435 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.497 9.887 -7.828 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.838 8.363 -5.780 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.787 9.692 -5.333 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.786 10.898 -3.714 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -5.506 11.301 -3.694 1.00 0.00 H new ATOM 332 N CYS A 17 -0.757 8.251 -6.716 1.00 0.00 N ATOM 333 CA CYS A 17 0.620 8.360 -6.202 1.00 0.00 C ATOM 334 C CYS A 17 1.483 7.132 -6.487 1.00 0.00 C ATOM 335 O CYS A 17 2.707 7.243 -6.543 1.00 0.00 O ATOM 336 CB CYS A 17 0.601 8.542 -4.686 1.00 0.00 C ATOM 337 SG CYS A 17 -0.085 10.115 -4.106 1.00 0.00 S ATOM 0 H CYS A 17 -1.372 7.707 -6.111 1.00 0.00 H new ATOM 0 HA CYS A 17 1.051 9.217 -6.719 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.025 7.728 -4.246 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.621 8.449 -4.312 1.00 0.00 H new ATOM 342 N HIS A 18 0.845 5.978 -6.690 1.00 0.00 N ATOM 343 CA HIS A 18 1.449 4.659 -6.865 1.00 0.00 C ATOM 344 C HIS A 18 1.171 4.074 -8.257 1.00 0.00 C ATOM 345 O HIS A 18 0.461 4.658 -9.076 1.00 0.00 O ATOM 346 CB HIS A 18 0.864 3.736 -5.783 1.00 0.00 C ATOM 347 CG HIS A 18 1.431 3.962 -4.406 1.00 0.00 C ATOM 348 ND1 HIS A 18 2.738 3.756 -4.028 1.00 0.00 N ATOM 349 CD2 HIS A 18 0.728 4.330 -3.291 1.00 0.00 C ATOM 350 CE1 HIS A 18 2.818 3.994 -2.710 1.00 0.00 C ATOM 351 NE2 HIS A 18 1.614 4.339 -2.211 1.00 0.00 N ATOM 0 H HIS A 18 -0.173 5.939 -6.739 1.00 0.00 H new ATOM 0 HA HIS A 18 2.532 4.746 -6.772 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.216 3.877 -5.746 1.00 0.00 H new ATOM 0 HB3 HIS A 18 1.041 2.700 -6.071 1.00 0.00 H new ATOM 0 HD1 HIS A 18 3.505 3.474 -4.638 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -0.324 4.571 -3.253 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.724 3.919 -2.128 1.00 0.00 H new ATOM 359 N THR A 19 1.714 2.888 -8.500 1.00 0.00 N ATOM 360 CA THR A 19 1.276 1.901 -9.496 1.00 0.00 C ATOM 361 C THR A 19 1.251 0.517 -8.831 1.00 0.00 C ATOM 362 O THR A 19 1.869 0.320 -7.785 1.00 0.00 O ATOM 363 CB THR A 19 2.174 1.916 -10.734 1.00 0.00 C ATOM 364 OG1 THR A 19 3.530 1.996 -10.373 1.00 0.00 O ATOM 365 CG2 THR A 19 1.878 3.076 -11.682 1.00 0.00 C ATOM 0 H THR A 19 2.526 2.562 -7.975 1.00 0.00 H new ATOM 0 HA THR A 19 0.274 2.154 -9.844 1.00 0.00 H new ATOM 0 HB THR A 19 1.961 0.980 -11.251 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.905 2.843 -10.694 1.00 0.00 H new ATOM 0 HG21 THR A 19 2.550 3.027 -12.538 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.846 3.010 -12.027 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.026 4.021 -11.159 1.00 0.00 H new ATOM 373 N VAL A 20 0.519 -0.443 -9.387 1.00 0.00 N ATOM 374 CA VAL A 20 0.500 -1.867 -8.995 1.00 0.00 C ATOM 375 C VAL A 20 0.868 -2.799 -10.159 1.00 0.00 C ATOM 376 O VAL A 20 1.028 -4.002 -9.984 1.00 0.00 O ATOM 377 CB VAL A 20 -0.847 -2.214 -8.344 1.00 0.00 C ATOM 378 CG1 VAL A 20 -1.977 -2.429 -9.355 1.00 0.00 C ATOM 379 CG2 VAL A 20 -0.739 -3.425 -7.410 1.00 0.00 C ATOM 0 H VAL A 20 -0.113 -0.249 -10.164 1.00 0.00 H new ATOM 0 HA VAL A 20 1.278 -2.030 -8.249 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.108 -1.337 -7.752 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.898 -2.671 -8.825 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.122 -1.519 -9.938 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.717 -3.250 -10.023 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.715 -3.635 -6.972 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.402 -4.293 -7.977 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.023 -3.210 -6.616 1.00 0.00 H new ATOM 389 N GLU A 21 1.067 -2.235 -11.346 1.00 0.00 N ATOM 390 CA GLU A 21 1.661 -2.870 -12.517 1.00 0.00 C ATOM 391 C GLU A 21 3.181 -3.082 -12.365 1.00 0.00 C ATOM 392 O GLU A 21 3.926 -2.287 -11.775 1.00 0.00 O ATOM 393 CB GLU A 21 1.312 -2.125 -13.826 1.00 0.00 C ATOM 394 CG GLU A 21 1.072 -0.604 -13.749 1.00 0.00 C ATOM 395 CD GLU A 21 -0.265 -0.244 -13.074 1.00 0.00 C ATOM 396 OE1 GLU A 21 -1.326 -0.459 -13.686 1.00 0.00 O ATOM 397 OE2 GLU A 21 -0.213 0.201 -11.902 1.00 0.00 O ATOM 0 H GLU A 21 0.803 -1.267 -11.527 1.00 0.00 H new ATOM 0 HA GLU A 21 1.213 -3.861 -12.587 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.120 -2.300 -14.536 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.416 -2.584 -14.243 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.889 -0.139 -13.197 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.089 -0.187 -14.756 1.00 0.00 H new ATOM 404 N LYS A 22 3.645 -4.206 -12.923 1.00 0.00 N ATOM 405 CA LYS A 22 5.026 -4.702 -12.866 1.00 0.00 C ATOM 406 C LYS A 22 5.981 -3.851 -13.709 1.00 0.00 C ATOM 407 O LYS A 22 5.930 -3.905 -14.932 1.00 0.00 O ATOM 408 CB LYS A 22 5.031 -6.164 -13.336 1.00 0.00 C ATOM 409 CG LYS A 22 6.388 -6.838 -13.088 1.00 0.00 C ATOM 410 CD LYS A 22 6.341 -8.303 -13.535 1.00 0.00 C ATOM 411 CE LYS A 22 7.617 -9.076 -13.161 1.00 0.00 C ATOM 412 NZ LYS A 22 8.846 -8.515 -13.787 1.00 0.00 N ATOM 0 H LYS A 22 3.035 -4.827 -13.455 1.00 0.00 H new ATOM 0 HA LYS A 22 5.386 -4.635 -11.839 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.250 -6.716 -12.814 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.794 -6.205 -14.399 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.170 -6.309 -13.633 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.642 -6.781 -12.030 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.479 -8.790 -13.080 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.198 -8.345 -14.615 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.734 -9.070 -12.077 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.505 -10.117 -13.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 9.671 -9.078 -13.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.753 -8.545 -14.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.974 -7.530 -13.479 1.00 0.00 H new ATOM 426 N GLY A 23 6.880 -3.109 -13.064 1.00 0.00 N ATOM 427 CA GLY A 23 7.867 -2.263 -13.752 1.00 0.00 C ATOM 428 C GLY A 23 7.288 -0.978 -14.361 1.00 0.00 C ATOM 429 O GLY A 23 7.936 -0.350 -15.192 1.00 0.00 O ATOM 0 H GLY A 23 6.948 -3.074 -12.047 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.652 -1.994 -13.045 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.337 -2.846 -14.544 1.00 0.00 H new ATOM 433 N GLY A 24 6.073 -0.577 -13.963 1.00 0.00 N ATOM 434 CA GLY A 24 5.557 0.770 -14.230 1.00 0.00 C ATOM 435 C GLY A 24 6.362 1.863 -13.497 1.00 0.00 C ATOM 436 O GLY A 24 7.238 1.549 -12.692 1.00 0.00 O ATOM 0 H GLY A 24 5.424 -1.174 -13.450 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.584 0.961 -15.303 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.513 0.824 -13.923 1.00 0.00 H new ATOM 440 N PRO A 25 6.042 3.150 -13.705 1.00 0.00 N ATOM 441 CA PRO A 25 6.766 4.252 -13.080 1.00 0.00 C ATOM 442 C PRO A 25 6.523 4.345 -11.566 1.00 0.00 C ATOM 443 O PRO A 25 5.389 4.539 -11.114 1.00 0.00 O ATOM 444 CB PRO A 25 6.292 5.510 -13.816 1.00 0.00 C ATOM 445 CG PRO A 25 4.888 5.139 -14.297 1.00 0.00 C ATOM 446 CD PRO A 25 5.008 3.647 -14.599 1.00 0.00 C ATOM 0 HA PRO A 25 7.843 4.111 -13.166 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.273 6.377 -13.156 1.00 0.00 H new ATOM 0 HB3 PRO A 25 6.949 5.758 -14.650 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.135 5.336 -13.534 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.602 5.708 -15.182 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.061 3.135 -14.427 1.00 0.00 H new ATOM 0 HD3 PRO A 25 5.277 3.478 -15.642 1.00 0.00 H new ATOM 454 N HIS A 26 7.614 4.319 -10.795 1.00 0.00 N ATOM 455 CA HIS A 26 7.698 4.974 -9.489 1.00 0.00 C ATOM 456 C HIS A 26 7.382 6.474 -9.661 1.00 0.00 C ATOM 457 O HIS A 26 8.000 7.145 -10.487 1.00 0.00 O ATOM 458 CB HIS A 26 9.116 4.803 -8.912 1.00 0.00 C ATOM 459 CG HIS A 26 9.537 3.396 -8.559 1.00 0.00 C ATOM 460 ND1 HIS A 26 8.734 2.284 -8.519 1.00 0.00 N ATOM 461 CD2 HIS A 26 10.790 2.992 -8.185 1.00 0.00 C ATOM 462 CE1 HIS A 26 9.468 1.246 -8.092 1.00 0.00 C ATOM 463 NE2 HIS A 26 10.720 1.636 -7.854 1.00 0.00 N ATOM 0 H HIS A 26 8.472 3.837 -11.064 1.00 0.00 H new ATOM 0 HA HIS A 26 6.981 4.523 -8.803 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.828 5.201 -9.635 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.195 5.418 -8.015 1.00 0.00 H new ATOM 0 HD1 HIS A 26 7.746 2.252 -8.771 1.00 0.00 H new ATOM 0 HD2 HIS A 26 11.675 3.611 -8.152 1.00 0.00 H new ATOM 0 HE1 HIS A 26 9.098 0.240 -7.960 1.00 0.00 H new ATOM 471 N LYS A 27 6.405 7.001 -8.917 1.00 0.00 N ATOM 472 CA LYS A 27 5.968 8.395 -8.923 1.00 0.00 C ATOM 473 C LYS A 27 6.228 9.030 -7.544 1.00 0.00 C ATOM 474 O LYS A 27 7.350 8.967 -7.042 1.00 0.00 O ATOM 475 CB LYS A 27 4.495 8.394 -9.349 1.00 0.00 C ATOM 476 CG LYS A 27 4.244 8.045 -10.822 1.00 0.00 C ATOM 477 CD LYS A 27 2.742 8.104 -11.138 1.00 0.00 C ATOM 478 CE LYS A 27 1.986 6.972 -10.431 1.00 0.00 C ATOM 479 NZ LYS A 27 0.520 7.135 -10.530 1.00 0.00 N ATOM 0 H LYS A 27 5.870 6.433 -8.260 1.00 0.00 H new ATOM 0 HA LYS A 27 6.527 9.010 -9.628 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.953 7.683 -8.726 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.074 9.379 -9.148 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.785 8.740 -11.464 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.628 7.048 -11.037 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.338 9.067 -10.824 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.590 8.030 -12.215 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.274 6.016 -10.868 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.277 6.943 -9.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.049 6.358 -10.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.242 8.043 -10.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.236 7.119 -11.530 1.00 0.00 H new ATOM 493 N VAL A 28 5.187 9.592 -6.911 1.00 0.00 N ATOM 494 CA VAL A 28 5.167 10.106 -5.531 1.00 0.00 C ATOM 495 C VAL A 28 5.524 9.003 -4.535 1.00 0.00 C ATOM 496 O VAL A 28 6.262 9.258 -3.589 1.00 0.00 O ATOM 497 CB VAL A 28 3.778 10.690 -5.190 1.00 0.00 C ATOM 498 CG1 VAL A 28 3.727 11.320 -3.792 1.00 0.00 C ATOM 499 CG2 VAL A 28 3.344 11.761 -6.196 1.00 0.00 C ATOM 0 H VAL A 28 4.285 9.707 -7.374 1.00 0.00 H new ATOM 0 HA VAL A 28 5.912 10.898 -5.457 1.00 0.00 H new ATOM 0 HB VAL A 28 3.099 9.838 -5.229 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.728 11.714 -3.607 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.964 10.564 -3.043 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.453 12.130 -3.731 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.362 12.144 -5.918 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.067 12.577 -6.193 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.294 11.324 -7.193 1.00 0.00 H new ATOM 509 N GLY A 29 5.026 7.782 -4.759 1.00 0.00 N ATOM 510 CA GLY A 29 5.498 6.555 -4.117 1.00 0.00 C ATOM 511 C GLY A 29 5.955 5.527 -5.163 1.00 0.00 C ATOM 512 O GLY A 29 5.845 5.782 -6.367 1.00 0.00 O ATOM 0 H GLY A 29 4.260 7.618 -5.412 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.324 6.787 -3.445 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.701 6.129 -3.508 1.00 0.00 H new ATOM 516 N PRO A 30 6.446 4.351 -4.736 1.00 0.00 N ATOM 517 CA PRO A 30 6.901 3.300 -5.643 1.00 0.00 C ATOM 518 C PRO A 30 5.738 2.530 -6.303 1.00 0.00 C ATOM 519 O PRO A 30 4.564 2.898 -6.207 1.00 0.00 O ATOM 520 CB PRO A 30 7.763 2.403 -4.753 1.00 0.00 C ATOM 521 CG PRO A 30 7.031 2.459 -3.419 1.00 0.00 C ATOM 522 CD PRO A 30 6.592 3.921 -3.350 1.00 0.00 C ATOM 0 HA PRO A 30 7.452 3.702 -6.494 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.824 1.386 -5.140 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.785 2.774 -4.671 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.181 1.777 -3.393 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.681 2.190 -2.587 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.653 4.023 -2.807 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.331 4.528 -2.827 1.00 0.00 H new ATOM 530 N ASN A 31 6.066 1.434 -6.986 1.00 0.00 N ATOM 531 CA ASN A 31 5.134 0.404 -7.417 1.00 0.00 C ATOM 532 C ASN A 31 4.761 -0.525 -6.246 1.00 0.00 C ATOM 533 O ASN A 31 5.489 -0.611 -5.261 1.00 0.00 O ATOM 534 CB ASN A 31 5.829 -0.392 -8.526 1.00 0.00 C ATOM 535 CG ASN A 31 5.992 0.402 -9.806 1.00 0.00 C ATOM 536 OD1 ASN A 31 6.486 1.511 -9.819 1.00 0.00 O ATOM 537 ND2 ASN A 31 5.646 -0.139 -10.937 1.00 0.00 N ATOM 0 H ASN A 31 7.027 1.236 -7.263 1.00 0.00 H new ATOM 0 HA ASN A 31 4.209 0.854 -7.778 1.00 0.00 H new ATOM 0 HB2 ASN A 31 6.810 -0.713 -8.176 1.00 0.00 H new ATOM 0 HB3 ASN A 31 5.254 -1.294 -8.734 1.00 0.00 H new ATOM 0 HD21 ASN A 31 5.792 0.368 -11.810 1.00 0.00 H new ATOM 0 HD22 ASN A 31 5.229 -1.070 -10.951 1.00 0.00 H new ATOM 544 N LEU A 32 3.666 -1.273 -6.385 1.00 0.00 N ATOM 545 CA LEU A 32 3.070 -2.136 -5.354 1.00 0.00 C ATOM 546 C LEU A 32 2.930 -3.603 -5.822 1.00 0.00 C ATOM 547 O LEU A 32 2.262 -4.408 -5.186 1.00 0.00 O ATOM 548 CB LEU A 32 1.716 -1.529 -4.919 1.00 0.00 C ATOM 549 CG LEU A 32 1.760 -0.103 -4.332 1.00 0.00 C ATOM 550 CD1 LEU A 32 0.327 0.379 -4.087 1.00 0.00 C ATOM 551 CD2 LEU A 32 2.527 -0.027 -3.012 1.00 0.00 C ATOM 0 H LEU A 32 3.142 -1.298 -7.260 1.00 0.00 H new ATOM 0 HA LEU A 32 3.738 -2.172 -4.494 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.051 -1.522 -5.783 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.268 -2.190 -4.177 1.00 0.00 H new ATOM 0 HG LEU A 32 2.280 0.526 -5.055 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.348 1.387 -3.672 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.221 0.386 -5.029 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.168 -0.292 -3.385 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.524 1.000 -2.648 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.050 -0.674 -2.276 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.555 -0.353 -3.169 1.00 0.00 H new ATOM 563 N HIS A 33 3.553 -3.968 -6.943 1.00 0.00 N ATOM 564 CA HIS A 33 3.613 -5.317 -7.498 1.00 0.00 C ATOM 565 C HIS A 33 4.712 -6.127 -6.802 1.00 0.00 C ATOM 566 O HIS A 33 5.894 -5.877 -7.021 1.00 0.00 O ATOM 567 CB HIS A 33 3.938 -5.201 -8.992 1.00 0.00 C ATOM 568 CG HIS A 33 3.729 -6.501 -9.714 1.00 0.00 C ATOM 569 ND1 HIS A 33 2.516 -7.031 -10.078 1.00 0.00 N ATOM 570 CD2 HIS A 33 4.701 -7.395 -10.066 1.00 0.00 C ATOM 571 CE1 HIS A 33 2.749 -8.216 -10.664 1.00 0.00 C ATOM 572 NE2 HIS A 33 4.072 -8.460 -10.714 1.00 0.00 N ATOM 0 H HIS A 33 4.056 -3.292 -7.518 1.00 0.00 H new ATOM 0 HA HIS A 33 2.659 -5.823 -7.348 1.00 0.00 H new ATOM 0 HB2 HIS A 33 3.310 -4.431 -9.441 1.00 0.00 H new ATOM 0 HB3 HIS A 33 4.972 -4.880 -9.114 1.00 0.00 H new ATOM 0 HD1 HIS A 33 1.603 -6.602 -9.930 1.00 0.00 H new ATOM 0 HD2 HIS A 33 5.760 -7.296 -9.878 1.00 0.00 H new ATOM 0 HE1 HIS A 33 1.984 -8.879 -11.041 1.00 0.00 H new ATOM 580 N GLY A 34 4.341 -7.086 -5.958 1.00 0.00 N ATOM 581 CA GLY A 34 5.302 -8.000 -5.314 1.00 0.00 C ATOM 582 C GLY A 34 5.904 -7.492 -3.998 1.00 0.00 C ATOM 583 O GLY A 34 6.880 -8.057 -3.513 1.00 0.00 O ATOM 0 H GLY A 34 3.370 -7.258 -5.697 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.804 -8.951 -5.124 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.114 -8.200 -6.013 1.00 0.00 H new ATOM 587 N ILE A 35 5.329 -6.436 -3.411 1.00 0.00 N ATOM 588 CA ILE A 35 5.667 -5.963 -2.059 1.00 0.00 C ATOM 589 C ILE A 35 5.192 -6.915 -0.950 1.00 0.00 C ATOM 590 O ILE A 35 5.821 -6.935 0.105 1.00 0.00 O ATOM 591 CB ILE A 35 5.197 -4.503 -1.819 1.00 0.00 C ATOM 592 CG1 ILE A 35 3.684 -4.277 -2.039 1.00 0.00 C ATOM 593 CG2 ILE A 35 5.978 -3.552 -2.742 1.00 0.00 C ATOM 594 CD1 ILE A 35 2.826 -4.544 -0.805 1.00 0.00 C ATOM 0 H ILE A 35 4.607 -5.877 -3.865 1.00 0.00 H new ATOM 0 HA ILE A 35 6.756 -5.962 -2.004 1.00 0.00 H new ATOM 0 HB ILE A 35 5.395 -4.297 -0.767 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.525 -3.248 -2.363 1.00 0.00 H new ATOM 0 HG13 ILE A 35 3.346 -4.922 -2.850 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.647 -2.527 -2.573 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.044 -3.630 -2.527 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.797 -3.824 -3.782 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.778 -4.362 -1.044 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.952 -5.580 -0.491 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.134 -3.880 0.003 1.00 0.00 H new ATOM 606 N PHE A 36 4.142 -7.717 -1.161 1.00 0.00 N ATOM 607 CA PHE A 36 3.712 -8.759 -0.231 1.00 0.00 C ATOM 608 C PHE A 36 4.813 -9.816 -0.106 1.00 0.00 C ATOM 609 O PHE A 36 5.269 -10.378 -1.098 1.00 0.00 O ATOM 610 CB PHE A 36 2.386 -9.379 -0.690 1.00 0.00 C ATOM 611 CG PHE A 36 1.171 -8.487 -0.500 1.00 0.00 C ATOM 612 CD1 PHE A 36 0.652 -8.283 0.794 1.00 0.00 C ATOM 613 CD2 PHE A 36 0.529 -7.901 -1.610 1.00 0.00 C ATOM 614 CE1 PHE A 36 -0.508 -7.512 0.977 1.00 0.00 C ATOM 615 CE2 PHE A 36 -0.634 -7.132 -1.425 1.00 0.00 C ATOM 616 CZ PHE A 36 -1.159 -6.948 -0.134 1.00 0.00 C ATOM 0 H PHE A 36 3.560 -7.657 -1.997 1.00 0.00 H new ATOM 0 HA PHE A 36 3.541 -8.320 0.752 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.468 -9.639 -1.745 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.227 -10.309 -0.144 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.148 -8.721 1.648 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.930 -8.043 -2.603 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.900 -7.353 1.971 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.124 -6.682 -2.276 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.063 -6.373 0.004 1.00 0.00 H new ATOM 626 N GLY A 37 5.264 -10.055 1.121 1.00 0.00 N ATOM 627 CA GLY A 37 6.436 -10.885 1.413 1.00 0.00 C ATOM 628 C GLY A 37 7.762 -10.115 1.349 1.00 0.00 C ATOM 629 O GLY A 37 8.831 -10.728 1.308 1.00 0.00 O ATOM 0 H GLY A 37 4.821 -9.673 1.957 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.325 -11.320 2.406 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.471 -11.713 0.705 1.00 0.00 H new ATOM 633 N ARG A 38 7.717 -8.777 1.375 1.00 0.00 N ATOM 634 CA ARG A 38 8.887 -7.894 1.493 1.00 0.00 C ATOM 635 C ARG A 38 8.806 -7.003 2.725 1.00 0.00 C ATOM 636 O ARG A 38 7.760 -6.883 3.348 1.00 0.00 O ATOM 637 CB ARG A 38 9.066 -7.077 0.194 1.00 0.00 C ATOM 638 CG ARG A 38 10.532 -7.020 -0.236 1.00 0.00 C ATOM 639 CD ARG A 38 10.944 -8.377 -0.812 1.00 0.00 C ATOM 640 NE ARG A 38 12.392 -8.607 -0.667 1.00 0.00 N ATOM 641 CZ ARG A 38 13.011 -9.766 -0.794 1.00 0.00 C ATOM 642 NH1 ARG A 38 12.379 -10.863 -1.113 1.00 0.00 N ATOM 643 NH2 ARG A 38 14.293 -9.848 -0.604 1.00 0.00 N ATOM 0 H ARG A 38 6.839 -8.262 1.313 1.00 0.00 H new ATOM 0 HA ARG A 38 9.773 -8.515 1.628 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.470 -7.523 -0.602 1.00 0.00 H new ATOM 0 HB3 ARG A 38 8.691 -6.065 0.345 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.674 -6.238 -0.981 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.163 -6.767 0.616 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.396 -9.171 -0.304 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.671 -8.424 -1.866 1.00 0.00 H new ATOM 0 HE ARG A 38 12.970 -7.795 -0.448 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.372 -10.843 -1.273 1.00 0.00 H new ATOM 0 HH12 ARG A 38 12.892 -11.740 -1.202 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.826 -9.015 -0.355 1.00 0.00 H new ATOM 0 HH22 ARG A 38 14.767 -10.746 -0.703 1.00 0.00 H new ATOM 657 N HIS A 39 9.938 -6.409 3.066 1.00 0.00 N ATOM 658 CA HIS A 39 10.100 -5.520 4.215 1.00 0.00 C ATOM 659 C HIS A 39 9.922 -4.068 3.786 1.00 0.00 C ATOM 660 O HIS A 39 10.425 -3.692 2.727 1.00 0.00 O ATOM 661 CB HIS A 39 11.480 -5.732 4.845 1.00 0.00 C ATOM 662 CG HIS A 39 11.628 -7.123 5.390 1.00 0.00 C ATOM 663 ND1 HIS A 39 12.375 -8.144 4.850 1.00 0.00 N ATOM 664 CD2 HIS A 39 10.941 -7.622 6.459 1.00 0.00 C ATOM 665 CE1 HIS A 39 12.132 -9.249 5.578 1.00 0.00 C ATOM 666 NE2 HIS A 39 11.254 -8.980 6.553 1.00 0.00 N ATOM 0 H HIS A 39 10.800 -6.534 2.536 1.00 0.00 H new ATOM 0 HA HIS A 39 9.337 -5.753 4.958 1.00 0.00 H new ATOM 0 HB2 HIS A 39 12.254 -5.548 4.100 1.00 0.00 H new ATOM 0 HB3 HIS A 39 11.631 -5.008 5.646 1.00 0.00 H new ATOM 0 HD1 HIS A 39 12.998 -8.076 4.046 1.00 0.00 H new ATOM 0 HD2 HIS A 39 10.279 -7.070 7.110 1.00 0.00 H new ATOM 0 HE1 HIS A 39 12.581 -10.215 5.401 1.00 0.00 H new ATOM 674 N SER A 40 9.220 -3.270 4.592 1.00 0.00 N ATOM 675 CA SER A 40 8.887 -1.887 4.255 1.00 0.00 C ATOM 676 C SER A 40 10.126 -1.070 3.875 1.00 0.00 C ATOM 677 O SER A 40 11.051 -0.915 4.677 1.00 0.00 O ATOM 678 CB SER A 40 8.061 -1.214 5.354 1.00 0.00 C ATOM 679 OG SER A 40 8.787 -1.032 6.553 1.00 0.00 O ATOM 0 H SER A 40 8.865 -3.567 5.501 1.00 0.00 H new ATOM 0 HA SER A 40 8.257 -1.921 3.366 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.710 -0.246 4.997 1.00 0.00 H new ATOM 0 HB3 SER A 40 7.177 -1.818 5.558 1.00 0.00 H new ATOM 0 HG SER A 40 9.342 -0.227 6.481 1.00 0.00 H new ATOM 685 N GLY A 41 10.159 -0.607 2.627 1.00 0.00 N ATOM 686 CA GLY A 41 11.303 0.081 2.033 1.00 0.00 C ATOM 687 C GLY A 41 12.188 -0.769 1.102 1.00 0.00 C ATOM 688 O GLY A 41 13.406 -0.755 1.279 1.00 0.00 O ATOM 0 H GLY A 41 9.372 -0.702 1.985 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.935 0.938 1.470 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.926 0.472 2.838 1.00 0.00 H new ATOM 692 N GLN A 42 11.628 -1.507 0.128 1.00 0.00 N ATOM 693 CA GLN A 42 12.371 -2.373 -0.817 1.00 0.00 C ATOM 694 C GLN A 42 11.881 -2.325 -2.288 1.00 0.00 C ATOM 695 O GLN A 42 11.958 -3.325 -3.000 1.00 0.00 O ATOM 696 CB GLN A 42 12.443 -3.819 -0.276 1.00 0.00 C ATOM 697 CG GLN A 42 13.332 -3.915 0.973 1.00 0.00 C ATOM 698 CD GLN A 42 13.851 -5.315 1.303 1.00 0.00 C ATOM 699 OE1 GLN A 42 13.678 -6.314 0.606 1.00 0.00 O ATOM 700 NE2 GLN A 42 14.551 -5.454 2.407 1.00 0.00 N ATOM 0 H GLN A 42 10.621 -1.521 -0.032 1.00 0.00 H new ATOM 0 HA GLN A 42 13.377 -1.955 -0.869 1.00 0.00 H new ATOM 0 HB2 GLN A 42 11.439 -4.168 -0.035 1.00 0.00 H new ATOM 0 HB3 GLN A 42 12.832 -4.479 -1.051 1.00 0.00 H new ATOM 0 HG2 GLN A 42 14.186 -3.251 0.842 1.00 0.00 H new ATOM 0 HG3 GLN A 42 12.768 -3.544 1.829 1.00 0.00 H new ATOM 0 HE21 GLN A 42 14.716 -4.649 3.011 1.00 0.00 H new ATOM 0 HE22 GLN A 42 14.929 -6.367 2.660 1.00 0.00 H new ATOM 709 N ALA A 43 11.390 -1.179 -2.776 1.00 0.00 N ATOM 710 CA ALA A 43 11.210 -0.938 -4.218 1.00 0.00 C ATOM 711 C ALA A 43 12.538 -0.720 -4.980 1.00 0.00 C ATOM 712 O ALA A 43 13.599 -0.557 -4.374 1.00 0.00 O ATOM 713 CB ALA A 43 10.279 0.254 -4.410 1.00 0.00 C ATOM 0 H ALA A 43 11.107 -0.395 -2.188 1.00 0.00 H new ATOM 0 HA ALA A 43 10.771 -1.839 -4.646 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.140 0.439 -5.475 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.314 0.040 -3.950 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.716 1.136 -3.942 1.00 0.00 H new ATOM 719 N GLU A 44 12.474 -0.738 -6.315 1.00 0.00 N ATOM 720 CA GLU A 44 13.613 -0.930 -7.225 1.00 0.00 C ATOM 721 C GLU A 44 14.538 0.307 -7.301 1.00 0.00 C ATOM 722 O GLU A 44 14.497 1.107 -8.232 1.00 0.00 O ATOM 723 CB GLU A 44 13.082 -1.434 -8.589 1.00 0.00 C ATOM 724 CG GLU A 44 14.135 -2.212 -9.399 1.00 0.00 C ATOM 725 CD GLU A 44 13.505 -3.091 -10.499 1.00 0.00 C ATOM 726 OE1 GLU A 44 12.745 -4.023 -10.139 1.00 0.00 O ATOM 727 OE2 GLU A 44 13.816 -2.872 -11.692 1.00 0.00 O ATOM 0 H GLU A 44 11.593 -0.614 -6.814 1.00 0.00 H new ATOM 0 HA GLU A 44 14.274 -1.700 -6.828 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.216 -2.075 -8.420 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.739 -0.582 -9.175 1.00 0.00 H new ATOM 0 HG2 GLU A 44 14.830 -1.508 -9.855 1.00 0.00 H new ATOM 0 HG3 GLU A 44 14.716 -2.841 -8.724 1.00 0.00 H new ATOM 734 N GLY A 45 15.380 0.486 -6.275 1.00 0.00 N ATOM 735 CA GLY A 45 16.321 1.611 -6.150 1.00 0.00 C ATOM 736 C GLY A 45 15.724 2.897 -5.558 1.00 0.00 C ATOM 737 O GLY A 45 16.296 3.973 -5.722 1.00 0.00 O ATOM 0 H GLY A 45 15.428 -0.162 -5.489 1.00 0.00 H new ATOM 0 HA2 GLY A 45 17.158 1.297 -5.526 1.00 0.00 H new ATOM 0 HA3 GLY A 45 16.726 1.837 -7.136 1.00 0.00 H new ATOM 741 N TYR A 46 14.568 2.819 -4.890 1.00 0.00 N ATOM 742 CA TYR A 46 13.749 3.985 -4.537 1.00 0.00 C ATOM 743 C TYR A 46 13.831 4.365 -3.043 1.00 0.00 C ATOM 744 O TYR A 46 13.732 3.520 -2.154 1.00 0.00 O ATOM 745 CB TYR A 46 12.339 3.755 -5.093 1.00 0.00 C ATOM 746 CG TYR A 46 11.431 4.962 -5.003 1.00 0.00 C ATOM 747 CD1 TYR A 46 10.787 5.242 -3.786 1.00 0.00 C ATOM 748 CD2 TYR A 46 11.227 5.798 -6.119 1.00 0.00 C ATOM 749 CE1 TYR A 46 9.889 6.322 -3.694 1.00 0.00 C ATOM 750 CE2 TYR A 46 10.332 6.881 -6.035 1.00 0.00 C ATOM 751 CZ TYR A 46 9.655 7.135 -4.825 1.00 0.00 C ATOM 752 OH TYR A 46 8.793 8.174 -4.740 1.00 0.00 O ATOM 0 H TYR A 46 14.170 1.934 -4.575 1.00 0.00 H new ATOM 0 HA TYR A 46 14.147 4.885 -5.007 1.00 0.00 H new ATOM 0 HB2 TYR A 46 12.418 3.451 -6.137 1.00 0.00 H new ATOM 0 HB3 TYR A 46 11.879 2.927 -4.554 1.00 0.00 H new ATOM 0 HD1 TYR A 46 10.981 4.627 -2.919 1.00 0.00 H new ATOM 0 HD2 TYR A 46 11.758 5.607 -7.040 1.00 0.00 H new ATOM 0 HE1 TYR A 46 9.381 6.528 -2.763 1.00 0.00 H new ATOM 0 HE2 TYR A 46 10.165 7.514 -6.894 1.00 0.00 H new ATOM 0 HH TYR A 46 8.375 8.325 -5.614 1.00 0.00 H new ATOM 762 N SER A 47 14.029 5.663 -2.769 1.00 0.00 N ATOM 763 CA SER A 47 14.326 6.240 -1.441 1.00 0.00 C ATOM 764 C SER A 47 13.095 6.721 -0.661 1.00 0.00 C ATOM 765 O SER A 47 12.578 7.821 -0.883 1.00 0.00 O ATOM 766 CB SER A 47 15.311 7.404 -1.568 1.00 0.00 C ATOM 767 OG SER A 47 16.573 6.897 -1.946 1.00 0.00 O ATOM 0 H SER A 47 13.985 6.375 -3.498 1.00 0.00 H new ATOM 0 HA SER A 47 14.758 5.417 -0.872 1.00 0.00 H new ATOM 0 HB2 SER A 47 14.955 8.120 -2.309 1.00 0.00 H new ATOM 0 HB3 SER A 47 15.388 7.938 -0.621 1.00 0.00 H new ATOM 0 HG SER A 47 17.210 7.636 -2.031 1.00 0.00 H new ATOM 773 N TYR A 48 12.656 5.899 0.290 1.00 0.00 N ATOM 774 CA TYR A 48 11.494 6.100 1.161 1.00 0.00 C ATOM 775 C TYR A 48 11.689 7.226 2.206 1.00 0.00 C ATOM 776 O TYR A 48 11.839 8.398 1.852 1.00 0.00 O ATOM 777 CB TYR A 48 11.197 4.740 1.808 1.00 0.00 C ATOM 778 CG TYR A 48 10.750 3.694 0.819 1.00 0.00 C ATOM 779 CD1 TYR A 48 11.683 2.940 0.074 1.00 0.00 C ATOM 780 CD2 TYR A 48 9.377 3.475 0.657 1.00 0.00 C ATOM 781 CE1 TYR A 48 11.232 1.935 -0.801 1.00 0.00 C ATOM 782 CE2 TYR A 48 8.935 2.450 -0.188 1.00 0.00 C ATOM 783 CZ TYR A 48 9.853 1.642 -0.872 1.00 0.00 C ATOM 784 OH TYR A 48 9.407 0.546 -1.533 1.00 0.00 O ATOM 0 H TYR A 48 13.131 5.018 0.487 1.00 0.00 H new ATOM 0 HA TYR A 48 10.644 6.447 0.573 1.00 0.00 H new ATOM 0 HB2 TYR A 48 12.091 4.386 2.321 1.00 0.00 H new ATOM 0 HB3 TYR A 48 10.424 4.867 2.566 1.00 0.00 H new ATOM 0 HD1 TYR A 48 12.740 3.134 0.176 1.00 0.00 H new ATOM 0 HD2 TYR A 48 8.663 4.093 1.181 1.00 0.00 H new ATOM 0 HE1 TYR A 48 11.936 1.392 -1.414 1.00 0.00 H new ATOM 0 HE2 TYR A 48 7.876 2.280 -0.314 1.00 0.00 H new ATOM 0 HH TYR A 48 8.703 0.111 -1.008 1.00 0.00 H new ATOM 794 N THR A 49 11.717 6.882 3.491 1.00 0.00 N ATOM 795 CA THR A 49 12.020 7.719 4.658 1.00 0.00 C ATOM 796 C THR A 49 12.856 6.917 5.646 1.00 0.00 C ATOM 797 O THR A 49 12.823 5.686 5.633 1.00 0.00 O ATOM 798 CB THR A 49 10.746 8.187 5.386 1.00 0.00 C ATOM 799 OG1 THR A 49 9.862 7.106 5.598 1.00 0.00 O ATOM 800 CG2 THR A 49 10.046 9.313 4.629 1.00 0.00 C ATOM 0 H THR A 49 11.510 5.924 3.772 1.00 0.00 H new ATOM 0 HA THR A 49 12.556 8.597 4.297 1.00 0.00 H new ATOM 0 HB THR A 49 11.051 8.580 6.356 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.060 7.425 6.063 1.00 0.00 H new ATOM 0 HG21 THR A 49 9.152 9.616 5.173 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.721 10.164 4.537 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.765 8.964 3.636 1.00 0.00 H new ATOM 808 N ASP A 50 13.565 7.617 6.537 1.00 0.00 N ATOM 809 CA ASP A 50 14.283 7.010 7.663 1.00 0.00 C ATOM 810 C ASP A 50 13.366 6.057 8.459 1.00 0.00 C ATOM 811 O ASP A 50 13.657 4.868 8.611 1.00 0.00 O ATOM 812 CB ASP A 50 14.846 8.154 8.522 1.00 0.00 C ATOM 813 CG ASP A 50 15.575 7.648 9.761 1.00 0.00 C ATOM 814 OD1 ASP A 50 14.895 7.297 10.751 1.00 0.00 O ATOM 815 OD2 ASP A 50 16.826 7.591 9.763 1.00 0.00 O ATOM 0 H ASP A 50 13.658 8.632 6.497 1.00 0.00 H new ATOM 0 HA ASP A 50 15.107 6.389 7.311 1.00 0.00 H new ATOM 0 HB2 ASP A 50 15.530 8.753 7.921 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.031 8.811 8.827 1.00 0.00 H new ATOM 820 N ALA A 51 12.204 6.567 8.873 1.00 0.00 N ATOM 821 CA ALA A 51 11.197 5.841 9.630 1.00 0.00 C ATOM 822 C ALA A 51 10.681 4.581 8.902 1.00 0.00 C ATOM 823 O ALA A 51 10.649 3.519 9.520 1.00 0.00 O ATOM 824 CB ALA A 51 10.079 6.823 9.992 1.00 0.00 C ATOM 0 H ALA A 51 11.934 7.532 8.680 1.00 0.00 H new ATOM 0 HA ALA A 51 11.646 5.449 10.543 1.00 0.00 H new ATOM 0 HB1 ALA A 51 9.309 6.303 10.562 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.488 7.635 10.593 1.00 0.00 H new ATOM 0 HB3 ALA A 51 9.643 7.230 9.080 1.00 0.00 H new ATOM 830 N ASN A 52 10.301 4.657 7.615 1.00 0.00 N ATOM 831 CA ASN A 52 9.790 3.494 6.864 1.00 0.00 C ATOM 832 C ASN A 52 10.824 2.363 6.737 1.00 0.00 C ATOM 833 O ASN A 52 10.467 1.187 6.671 1.00 0.00 O ATOM 834 CB ASN A 52 9.321 3.926 5.465 1.00 0.00 C ATOM 835 CG ASN A 52 8.620 2.779 4.746 1.00 0.00 C ATOM 836 OD1 ASN A 52 7.659 2.213 5.235 1.00 0.00 O ATOM 837 ND2 ASN A 52 9.067 2.371 3.581 1.00 0.00 N ATOM 0 H ASN A 52 10.338 5.518 7.069 1.00 0.00 H new ATOM 0 HA ASN A 52 8.948 3.101 7.434 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.643 4.775 5.551 1.00 0.00 H new ATOM 0 HB3 ASN A 52 10.176 4.260 4.878 1.00 0.00 H new ATOM 0 HD21 ASN A 52 8.611 1.594 3.103 1.00 0.00 H new ATOM 0 HD22 ASN A 52 9.871 2.831 3.154 1.00 0.00 H new ATOM 844 N ILE A 53 12.111 2.710 6.730 1.00 0.00 N ATOM 845 CA ILE A 53 13.221 1.758 6.685 1.00 0.00 C ATOM 846 C ILE A 53 13.449 1.117 8.050 1.00 0.00 C ATOM 847 O ILE A 53 13.368 -0.104 8.156 1.00 0.00 O ATOM 848 CB ILE A 53 14.470 2.470 6.138 1.00 0.00 C ATOM 849 CG1 ILE A 53 14.259 2.829 4.645 1.00 0.00 C ATOM 850 CG2 ILE A 53 15.745 1.620 6.306 1.00 0.00 C ATOM 851 CD1 ILE A 53 15.279 3.832 4.094 1.00 0.00 C ATOM 0 H ILE A 53 12.418 3.682 6.756 1.00 0.00 H new ATOM 0 HA ILE A 53 12.981 0.937 6.010 1.00 0.00 H new ATOM 0 HB ILE A 53 14.611 3.382 6.719 1.00 0.00 H new ATOM 0 HG12 ILE A 53 14.307 1.916 4.052 1.00 0.00 H new ATOM 0 HG13 ILE A 53 13.257 3.239 4.519 1.00 0.00 H new ATOM 0 HG21 ILE A 53 16.600 2.164 5.905 1.00 0.00 H new ATOM 0 HG22 ILE A 53 15.909 1.415 7.364 1.00 0.00 H new ATOM 0 HG23 ILE A 53 15.629 0.679 5.768 1.00 0.00 H new ATOM 0 HD11 ILE A 53 15.063 4.031 3.044 1.00 0.00 H new ATOM 0 HD12 ILE A 53 15.217 4.762 4.660 1.00 0.00 H new ATOM 0 HD13 ILE A 53 16.283 3.418 4.186 1.00 0.00 H new ATOM 863 N LYS A 54 13.644 1.908 9.113 1.00 0.00 N ATOM 864 CA LYS A 54 13.741 1.405 10.499 1.00 0.00 C ATOM 865 C LYS A 54 12.502 0.630 10.965 1.00 0.00 C ATOM 866 O LYS A 54 12.550 -0.049 11.984 1.00 0.00 O ATOM 867 CB LYS A 54 14.033 2.571 11.451 1.00 0.00 C ATOM 868 CG LYS A 54 15.410 3.180 11.164 1.00 0.00 C ATOM 869 CD LYS A 54 15.709 4.326 12.131 1.00 0.00 C ATOM 870 CE LYS A 54 16.996 5.026 11.688 1.00 0.00 C ATOM 871 NZ LYS A 54 17.019 6.425 12.155 1.00 0.00 N ATOM 0 H LYS A 54 13.740 2.921 9.041 1.00 0.00 H new ATOM 0 HA LYS A 54 14.562 0.689 10.515 1.00 0.00 H new ATOM 0 HB2 LYS A 54 13.263 3.335 11.343 1.00 0.00 H new ATOM 0 HB3 LYS A 54 13.993 2.222 12.483 1.00 0.00 H new ATOM 0 HG2 LYS A 54 16.178 2.412 11.254 1.00 0.00 H new ATOM 0 HG3 LYS A 54 15.444 3.546 10.138 1.00 0.00 H new ATOM 0 HD2 LYS A 54 14.880 5.034 12.144 1.00 0.00 H new ATOM 0 HD3 LYS A 54 15.818 3.944 13.146 1.00 0.00 H new ATOM 0 HE2 LYS A 54 17.860 4.492 12.083 1.00 0.00 H new ATOM 0 HE3 LYS A 54 17.074 4.999 10.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 17.381 7.038 11.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 16.055 6.722 12.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 17.637 6.503 12.988 1.00 0.00 H new ATOM 885 N LYS A 55 11.401 0.716 10.212 1.00 0.00 N ATOM 886 CA LYS A 55 10.165 -0.055 10.424 1.00 0.00 C ATOM 887 C LYS A 55 10.296 -1.495 9.922 1.00 0.00 C ATOM 888 O LYS A 55 9.759 -2.386 10.572 1.00 0.00 O ATOM 889 CB LYS A 55 9.021 0.684 9.712 1.00 0.00 C ATOM 890 CG LYS A 55 7.601 0.153 9.938 1.00 0.00 C ATOM 891 CD LYS A 55 6.693 0.675 8.807 1.00 0.00 C ATOM 892 CE LYS A 55 5.235 0.817 9.241 1.00 0.00 C ATOM 893 NZ LYS A 55 4.630 -0.497 9.551 1.00 0.00 N ATOM 0 H LYS A 55 11.340 1.344 9.411 1.00 0.00 H new ATOM 0 HA LYS A 55 9.959 -0.128 11.492 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.046 1.728 10.025 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.222 0.667 8.641 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.602 -0.937 9.949 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.224 0.481 10.907 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.063 1.642 8.467 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.750 -0.005 7.957 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.177 1.461 10.118 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.665 1.304 8.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.036 -0.414 10.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.045 -0.808 8.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.383 -1.194 9.721 1.00 0.00 H new ATOM 907 N ASN A 56 10.932 -1.685 8.754 1.00 0.00 N ATOM 908 CA ASN A 56 11.056 -2.918 7.950 1.00 0.00 C ATOM 909 C ASN A 56 9.918 -3.930 8.188 1.00 0.00 C ATOM 910 O ASN A 56 10.135 -5.114 8.426 1.00 0.00 O ATOM 911 CB ASN A 56 12.507 -3.466 8.056 1.00 0.00 C ATOM 912 CG ASN A 56 13.357 -3.337 6.788 1.00 0.00 C ATOM 913 OD1 ASN A 56 14.250 -4.128 6.530 1.00 0.00 O ATOM 914 ND2 ASN A 56 13.134 -2.377 5.915 1.00 0.00 N ATOM 0 H ASN A 56 11.418 -0.909 8.305 1.00 0.00 H new ATOM 0 HA ASN A 56 10.904 -2.679 6.898 1.00 0.00 H new ATOM 0 HB2 ASN A 56 13.015 -2.944 8.867 1.00 0.00 H new ATOM 0 HB3 ASN A 56 12.459 -4.519 8.335 1.00 0.00 H new ATOM 0 HD21 ASN A 56 13.697 -2.318 5.067 1.00 0.00 H new ATOM 0 HD22 ASN A 56 12.398 -1.692 6.087 1.00 0.00 H new ATOM 921 N VAL A 57 8.669 -3.462 8.093 1.00 0.00 N ATOM 922 CA VAL A 57 7.485 -4.300 8.300 1.00 0.00 C ATOM 923 C VAL A 57 7.374 -5.306 7.161 1.00 0.00 C ATOM 924 O VAL A 57 7.368 -4.917 5.997 1.00 0.00 O ATOM 925 CB VAL A 57 6.211 -3.443 8.501 1.00 0.00 C ATOM 926 CG1 VAL A 57 5.109 -3.561 7.445 1.00 0.00 C ATOM 927 CG2 VAL A 57 5.620 -3.738 9.884 1.00 0.00 C ATOM 0 H VAL A 57 8.451 -2.491 7.870 1.00 0.00 H new ATOM 0 HA VAL A 57 7.592 -4.867 9.225 1.00 0.00 H new ATOM 0 HB VAL A 57 6.564 -2.417 8.398 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.278 -2.908 7.711 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.504 -3.267 6.472 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.759 -4.592 7.398 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.722 -3.137 10.032 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.364 -4.795 9.952 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.352 -3.491 10.653 1.00 0.00 H new ATOM 937 N LEU A 58 7.313 -6.597 7.492 1.00 0.00 N ATOM 938 CA LEU A 58 7.115 -7.683 6.523 1.00 0.00 C ATOM 939 C LEU A 58 5.657 -7.687 6.035 1.00 0.00 C ATOM 940 O LEU A 58 4.770 -8.135 6.759 1.00 0.00 O ATOM 941 CB LEU A 58 7.548 -9.023 7.149 1.00 0.00 C ATOM 942 CG LEU A 58 7.765 -10.156 6.122 1.00 0.00 C ATOM 943 CD1 LEU A 58 8.472 -11.327 6.804 1.00 0.00 C ATOM 944 CD2 LEU A 58 6.472 -10.707 5.511 1.00 0.00 C ATOM 0 H LEU A 58 7.401 -6.925 8.454 1.00 0.00 H new ATOM 0 HA LEU A 58 7.740 -7.527 5.644 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.472 -8.870 7.706 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.791 -9.338 7.867 1.00 0.00 H new ATOM 0 HG LEU A 58 8.353 -9.714 5.318 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.627 -12.129 6.082 1.00 0.00 H new ATOM 0 HD12 LEU A 58 9.436 -10.995 7.190 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.858 -11.693 7.627 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.713 -11.498 4.801 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.839 -11.110 6.302 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.943 -9.906 4.995 1.00 0.00 H new ATOM 956 N TRP A 59 5.406 -7.139 4.849 1.00 0.00 N ATOM 957 CA TRP A 59 4.093 -6.965 4.224 1.00 0.00 C ATOM 958 C TRP A 59 3.292 -8.268 4.062 1.00 0.00 C ATOM 959 O TRP A 59 3.477 -9.032 3.119 1.00 0.00 O ATOM 960 CB TRP A 59 4.269 -6.247 2.883 1.00 0.00 C ATOM 961 CG TRP A 59 4.772 -4.835 2.959 1.00 0.00 C ATOM 962 CD1 TRP A 59 5.847 -4.327 2.308 1.00 0.00 C ATOM 963 CD2 TRP A 59 4.227 -3.730 3.736 1.00 0.00 C ATOM 964 NE1 TRP A 59 5.990 -2.987 2.613 1.00 0.00 N ATOM 965 CE2 TRP A 59 5.066 -2.592 3.552 1.00 0.00 C ATOM 966 CE3 TRP A 59 3.116 -3.576 4.592 1.00 0.00 C ATOM 967 CZ2 TRP A 59 4.858 -1.387 4.230 1.00 0.00 C ATOM 968 CZ3 TRP A 59 2.890 -2.369 5.271 1.00 0.00 C ATOM 969 CH2 TRP A 59 3.768 -1.279 5.108 1.00 0.00 C ATOM 0 H TRP A 59 6.159 -6.782 4.261 1.00 0.00 H new ATOM 0 HA TRP A 59 3.493 -6.357 4.902 1.00 0.00 H new ATOM 0 HB2 TRP A 59 4.960 -6.826 2.270 1.00 0.00 H new ATOM 0 HB3 TRP A 59 3.310 -6.244 2.366 1.00 0.00 H new ATOM 0 HD1 TRP A 59 6.495 -4.886 1.649 1.00 0.00 H new ATOM 0 HE1 TRP A 59 6.689 -2.372 2.197 1.00 0.00 H new ATOM 0 HE3 TRP A 59 2.430 -4.399 4.727 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 5.526 -0.552 4.080 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 2.035 -2.275 5.924 1.00 0.00 H new ATOM 0 HH2 TRP A 59 3.603 -0.364 5.657 1.00 0.00 H new ATOM 980 N ASP A 60 2.365 -8.472 4.986 1.00 0.00 N ATOM 981 CA ASP A 60 1.306 -9.482 4.996 1.00 0.00 C ATOM 982 C ASP A 60 -0.061 -8.802 4.732 1.00 0.00 C ATOM 983 O ASP A 60 -0.131 -7.569 4.698 1.00 0.00 O ATOM 984 CB ASP A 60 1.406 -10.204 6.351 1.00 0.00 C ATOM 985 CG ASP A 60 0.100 -10.871 6.734 1.00 0.00 C ATOM 986 OD1 ASP A 60 -0.231 -11.895 6.107 1.00 0.00 O ATOM 987 OD2 ASP A 60 -0.625 -10.239 7.535 1.00 0.00 O ATOM 0 H ASP A 60 2.327 -7.888 5.821 1.00 0.00 H new ATOM 0 HA ASP A 60 1.411 -10.224 4.205 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.197 -10.953 6.306 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.689 -9.489 7.123 1.00 0.00 H new ATOM 992 N GLU A 61 -1.141 -9.565 4.531 1.00 0.00 N ATOM 993 CA GLU A 61 -2.492 -9.010 4.337 1.00 0.00 C ATOM 994 C GLU A 61 -2.985 -8.180 5.537 1.00 0.00 C ATOM 995 O GLU A 61 -3.372 -7.019 5.363 1.00 0.00 O ATOM 996 CB GLU A 61 -3.507 -10.079 3.869 1.00 0.00 C ATOM 997 CG GLU A 61 -3.748 -11.314 4.762 1.00 0.00 C ATOM 998 CD GLU A 61 -4.819 -12.255 4.159 1.00 0.00 C ATOM 999 OE1 GLU A 61 -4.703 -12.589 2.954 1.00 0.00 O ATOM 1000 OE2 GLU A 61 -5.760 -12.634 4.893 1.00 0.00 O ATOM 0 H GLU A 61 -1.107 -10.584 4.498 1.00 0.00 H new ATOM 0 HA GLU A 61 -2.412 -8.297 3.517 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -4.467 -9.583 3.725 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -3.183 -10.436 2.891 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -2.813 -11.860 4.888 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -4.064 -10.990 5.754 1.00 0.00 H new ATOM 1007 N ASN A 62 -2.911 -8.717 6.760 1.00 0.00 N ATOM 1008 CA ASN A 62 -3.297 -7.983 7.971 1.00 0.00 C ATOM 1009 C ASN A 62 -2.322 -6.832 8.260 1.00 0.00 C ATOM 1010 O ASN A 62 -2.746 -5.701 8.494 1.00 0.00 O ATOM 1011 CB ASN A 62 -3.417 -8.939 9.175 1.00 0.00 C ATOM 1012 CG ASN A 62 -4.050 -8.230 10.367 1.00 0.00 C ATOM 1013 OD1 ASN A 62 -5.257 -8.278 10.553 1.00 0.00 O ATOM 1014 ND2 ASN A 62 -3.271 -7.538 11.171 1.00 0.00 N ATOM 0 H ASN A 62 -2.584 -9.667 6.938 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.278 -7.540 7.799 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.019 -9.805 8.899 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.430 -9.311 9.449 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -3.673 -7.033 11.961 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.265 -7.506 11.004 1.00 0.00 H new ATOM 1021 N ASN A 63 -1.011 -7.108 8.238 1.00 0.00 N ATOM 1022 CA ASN A 63 0.051 -6.126 8.529 1.00 0.00 C ATOM 1023 C ASN A 63 0.002 -4.894 7.597 1.00 0.00 C ATOM 1024 O ASN A 63 0.156 -3.755 8.048 1.00 0.00 O ATOM 1025 CB ASN A 63 1.402 -6.859 8.448 1.00 0.00 C ATOM 1026 CG ASN A 63 2.600 -6.048 8.921 1.00 0.00 C ATOM 1027 OD1 ASN A 63 2.538 -4.920 9.375 1.00 0.00 O ATOM 1028 ND2 ASN A 63 3.782 -6.594 8.801 1.00 0.00 N ATOM 0 H ASN A 63 -0.649 -8.035 8.014 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.097 -5.721 9.530 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.341 -7.770 9.043 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.572 -7.163 7.415 1.00 0.00 H new ATOM 0 HD21 ASN A 63 4.614 -6.076 9.084 1.00 0.00 H new ATOM 0 HD22 ASN A 63 3.872 -7.538 8.425 1.00 0.00 H new ATOM 1035 N MET A 64 -0.281 -5.106 6.306 1.00 0.00 N ATOM 1036 CA MET A 64 -0.647 -4.015 5.401 1.00 0.00 C ATOM 1037 C MET A 64 -1.879 -3.249 5.895 1.00 0.00 C ATOM 1038 O MET A 64 -1.826 -2.023 5.933 1.00 0.00 O ATOM 1039 CB MET A 64 -0.851 -4.536 3.972 1.00 0.00 C ATOM 1040 CG MET A 64 -1.513 -3.471 3.085 1.00 0.00 C ATOM 1041 SD MET A 64 -1.689 -3.854 1.331 1.00 0.00 S ATOM 1042 CE MET A 64 0.062 -3.880 0.898 1.00 0.00 C ATOM 0 H MET A 64 -0.263 -6.026 5.866 1.00 0.00 H new ATOM 0 HA MET A 64 0.183 -3.308 5.390 1.00 0.00 H new ATOM 0 HB2 MET A 64 0.110 -4.823 3.545 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.471 -5.433 3.993 1.00 0.00 H new ATOM 0 HG2 MET A 64 -2.505 -3.265 3.487 1.00 0.00 H new ATOM 0 HG3 MET A 64 -0.936 -2.551 3.174 1.00 0.00 H new ATOM 0 HE1 MET A 64 0.190 -3.521 -0.123 1.00 0.00 H new ATOM 0 HE2 MET A 64 0.615 -3.235 1.581 1.00 0.00 H new ATOM 0 HE3 MET A 64 0.441 -4.899 0.975 1.00 0.00 H new ATOM 1052 N SER A 65 -2.986 -3.932 6.211 1.00 0.00 N ATOM 1053 CA SER A 65 -4.240 -3.294 6.635 1.00 0.00 C ATOM 1054 C SER A 65 -4.061 -2.360 7.838 1.00 0.00 C ATOM 1055 O SER A 65 -4.529 -1.220 7.792 1.00 0.00 O ATOM 1056 CB SER A 65 -5.295 -4.355 6.956 1.00 0.00 C ATOM 1057 OG SER A 65 -6.581 -3.766 6.934 1.00 0.00 O ATOM 0 H SER A 65 -3.038 -4.950 6.180 1.00 0.00 H new ATOM 0 HA SER A 65 -4.573 -2.679 5.798 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.243 -5.166 6.230 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.100 -4.791 7.936 1.00 0.00 H new ATOM 0 HG SER A 65 -7.256 -4.446 7.138 1.00 0.00 H new ATOM 1063 N GLU A 66 -3.345 -2.806 8.874 1.00 0.00 N ATOM 1064 CA GLU A 66 -3.027 -2.047 10.093 1.00 0.00 C ATOM 1065 C GLU A 66 -2.286 -0.742 9.757 1.00 0.00 C ATOM 1066 O GLU A 66 -2.726 0.361 10.091 1.00 0.00 O ATOM 1067 CB GLU A 66 -2.187 -2.935 11.044 1.00 0.00 C ATOM 1068 CG GLU A 66 -2.814 -3.091 12.436 1.00 0.00 C ATOM 1069 CD GLU A 66 -4.132 -3.870 12.371 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -4.070 -5.123 12.423 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -5.183 -3.205 12.209 1.00 0.00 O ATOM 0 H GLU A 66 -2.953 -3.747 8.889 1.00 0.00 H new ATOM 0 HA GLU A 66 -3.956 -1.770 10.591 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.063 -3.921 10.596 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.191 -2.505 11.147 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.116 -3.608 13.095 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.992 -2.107 12.869 1.00 0.00 H new ATOM 1078 N TYR A 67 -1.176 -0.865 9.016 1.00 0.00 N ATOM 1079 CA TYR A 67 -0.425 0.261 8.462 1.00 0.00 C ATOM 1080 C TYR A 67 -1.296 1.210 7.634 1.00 0.00 C ATOM 1081 O TYR A 67 -1.252 2.416 7.857 1.00 0.00 O ATOM 1082 CB TYR A 67 0.749 -0.268 7.631 1.00 0.00 C ATOM 1083 CG TYR A 67 1.316 0.753 6.669 1.00 0.00 C ATOM 1084 CD1 TYR A 67 1.946 1.902 7.171 1.00 0.00 C ATOM 1085 CD2 TYR A 67 1.144 0.593 5.279 1.00 0.00 C ATOM 1086 CE1 TYR A 67 2.439 2.882 6.290 1.00 0.00 C ATOM 1087 CE2 TYR A 67 1.648 1.563 4.393 1.00 0.00 C ATOM 1088 CZ TYR A 67 2.302 2.708 4.897 1.00 0.00 C ATOM 1089 OH TYR A 67 2.791 3.632 4.036 1.00 0.00 O ATOM 0 H TYR A 67 -0.770 -1.771 8.782 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.049 0.850 9.299 1.00 0.00 H new ATOM 0 HB2 TYR A 67 1.540 -0.600 8.304 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.421 -1.142 7.069 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.053 2.035 8.237 1.00 0.00 H new ATOM 0 HD2 TYR A 67 0.626 -0.273 4.895 1.00 0.00 H new ATOM 0 HE1 TYR A 67 2.922 3.766 6.680 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.534 1.431 3.327 1.00 0.00 H new ATOM 0 HH TYR A 67 2.051 4.044 3.544 1.00 0.00 H new ATOM 1099 N LEU A 68 -2.082 0.695 6.687 1.00 0.00 N ATOM 1100 CA LEU A 68 -2.925 1.530 5.830 1.00 0.00 C ATOM 1101 C LEU A 68 -4.040 2.248 6.609 1.00 0.00 C ATOM 1102 O LEU A 68 -4.562 3.260 6.133 1.00 0.00 O ATOM 1103 CB LEU A 68 -3.550 0.673 4.722 1.00 0.00 C ATOM 1104 CG LEU A 68 -2.627 0.127 3.623 1.00 0.00 C ATOM 1105 CD1 LEU A 68 -3.472 -0.692 2.644 1.00 0.00 C ATOM 1106 CD2 LEU A 68 -1.957 1.234 2.817 1.00 0.00 C ATOM 0 H LEU A 68 -2.152 -0.304 6.493 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.280 2.297 5.402 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.043 -0.176 5.195 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.328 1.266 4.240 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.854 -0.465 4.113 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.833 -1.089 1.855 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.947 -1.517 3.175 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.239 -0.055 2.204 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.316 0.792 2.054 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.720 1.848 2.339 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.355 1.855 3.481 1.00 0.00 H new ATOM 1118 N THR A 69 -4.451 1.708 7.757 1.00 0.00 N ATOM 1119 CA THR A 69 -5.480 2.261 8.652 1.00 0.00 C ATOM 1120 C THR A 69 -4.982 3.429 9.502 1.00 0.00 C ATOM 1121 O THR A 69 -5.753 4.356 9.750 1.00 0.00 O ATOM 1122 CB THR A 69 -6.104 1.151 9.493 1.00 0.00 C ATOM 1123 OG1 THR A 69 -6.670 0.225 8.592 1.00 0.00 O ATOM 1124 CG2 THR A 69 -7.242 1.605 10.405 1.00 0.00 C ATOM 0 H THR A 69 -4.061 0.834 8.108 1.00 0.00 H new ATOM 0 HA THR A 69 -6.259 2.689 8.021 1.00 0.00 H new ATOM 0 HB THR A 69 -5.312 0.756 10.129 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.975 -0.387 8.272 1.00 0.00 H new ATOM 0 HG21 THR A 69 -7.624 0.750 10.963 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.872 2.358 11.101 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.044 2.032 9.802 1.00 0.00 H new ATOM 1132 N ASN A 70 -3.702 3.463 9.893 1.00 0.00 N ATOM 1133 CA ASN A 70 -3.078 4.678 10.429 1.00 0.00 C ATOM 1134 C ASN A 70 -1.582 4.790 10.054 1.00 0.00 C ATOM 1135 O ASN A 70 -0.699 4.578 10.897 1.00 0.00 O ATOM 1136 CB ASN A 70 -3.342 4.787 11.941 1.00 0.00 C ATOM 1137 CG ASN A 70 -3.237 6.228 12.409 1.00 0.00 C ATOM 1138 OD1 ASN A 70 -2.381 7.003 12.005 1.00 0.00 O ATOM 1139 ND2 ASN A 70 -4.131 6.660 13.266 1.00 0.00 N ATOM 0 H ASN A 70 -3.076 2.659 9.848 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.545 5.542 9.956 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -4.334 4.398 12.170 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -2.625 4.171 12.484 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -4.105 7.628 13.585 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.852 6.028 13.613 1.00 0.00 H new ATOM 1146 N PRO A 71 -1.258 5.182 8.806 1.00 0.00 N ATOM 1147 CA PRO A 71 0.124 5.242 8.337 1.00 0.00 C ATOM 1148 C PRO A 71 0.913 6.319 9.087 1.00 0.00 C ATOM 1149 O PRO A 71 2.085 6.115 9.378 1.00 0.00 O ATOM 1150 CB PRO A 71 0.040 5.483 6.823 1.00 0.00 C ATOM 1151 CG PRO A 71 -1.323 6.142 6.630 1.00 0.00 C ATOM 1152 CD PRO A 71 -2.176 5.497 7.721 1.00 0.00 C ATOM 0 HA PRO A 71 0.671 4.320 8.534 1.00 0.00 H new ATOM 0 HB2 PRO A 71 0.848 6.127 6.476 1.00 0.00 H new ATOM 0 HB3 PRO A 71 0.115 4.549 6.265 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.268 7.224 6.748 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.727 5.950 5.636 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.960 6.175 8.057 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -2.669 4.598 7.352 1.00 0.00 H new ATOM 1160 N LYS A 72 0.262 7.423 9.483 1.00 0.00 N ATOM 1161 CA LYS A 72 0.845 8.518 10.274 1.00 0.00 C ATOM 1162 C LYS A 72 1.235 8.123 11.705 1.00 0.00 C ATOM 1163 O LYS A 72 1.987 8.871 12.329 1.00 0.00 O ATOM 1164 CB LYS A 72 -0.118 9.724 10.297 1.00 0.00 C ATOM 1165 CG LYS A 72 0.171 10.750 9.191 1.00 0.00 C ATOM 1166 CD LYS A 72 -0.303 10.335 7.790 1.00 0.00 C ATOM 1167 CE LYS A 72 0.102 11.420 6.784 1.00 0.00 C ATOM 1168 NZ LYS A 72 1.521 11.274 6.379 1.00 0.00 N ATOM 0 H LYS A 72 -0.719 7.584 9.254 1.00 0.00 H new ATOM 0 HA LYS A 72 1.777 8.786 9.776 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.142 9.365 10.192 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.050 10.216 11.267 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.306 11.694 9.456 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.245 10.934 9.157 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.139 9.379 7.511 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.385 10.200 7.783 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.538 11.360 5.904 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.053 12.405 7.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.923 12.212 6.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.057 10.824 7.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.579 10.683 5.525 1.00 0.00 H new ATOM 1182 N LYS A 73 0.729 7.011 12.255 1.00 0.00 N ATOM 1183 CA LYS A 73 1.187 6.464 13.545 1.00 0.00 C ATOM 1184 C LYS A 73 2.266 5.406 13.360 1.00 0.00 C ATOM 1185 O LYS A 73 3.294 5.485 14.016 1.00 0.00 O ATOM 1186 CB LYS A 73 0.006 5.937 14.387 1.00 0.00 C ATOM 1187 CG LYS A 73 -0.092 6.622 15.759 1.00 0.00 C ATOM 1188 CD LYS A 73 -0.451 8.114 15.660 1.00 0.00 C ATOM 1189 CE LYS A 73 -0.565 8.708 17.068 1.00 0.00 C ATOM 1190 NZ LYS A 73 -0.809 10.172 17.029 1.00 0.00 N ATOM 0 H LYS A 73 -0.012 6.462 11.819 1.00 0.00 H new ATOM 0 HA LYS A 73 1.640 7.285 14.101 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.924 6.093 13.840 1.00 0.00 H new ATOM 0 HB3 LYS A 73 0.116 4.862 14.529 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -0.844 6.112 16.361 1.00 0.00 H new ATOM 0 HG3 LYS A 73 0.859 6.516 16.281 1.00 0.00 H new ATOM 0 HD2 LYS A 73 0.312 8.645 15.091 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -1.392 8.237 15.125 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -1.377 8.218 17.605 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.351 8.507 17.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -0.880 10.538 18.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -0.022 10.642 16.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -1.696 10.363 16.521 1.00 0.00 H new ATOM 1204 N TYR A 74 2.061 4.436 12.467 1.00 0.00 N ATOM 1205 CA TYR A 74 3.053 3.376 12.223 1.00 0.00 C ATOM 1206 C TYR A 74 4.334 3.887 11.535 1.00 0.00 C ATOM 1207 O TYR A 74 5.369 3.225 11.563 1.00 0.00 O ATOM 1208 CB TYR A 74 2.418 2.241 11.405 1.00 0.00 C ATOM 1209 CG TYR A 74 2.827 0.817 11.776 1.00 0.00 C ATOM 1210 CD1 TYR A 74 4.018 0.530 12.486 1.00 0.00 C ATOM 1211 CD2 TYR A 74 1.996 -0.253 11.384 1.00 0.00 C ATOM 1212 CE1 TYR A 74 4.352 -0.795 12.825 1.00 0.00 C ATOM 1213 CE2 TYR A 74 2.336 -1.581 11.705 1.00 0.00 C ATOM 1214 CZ TYR A 74 3.496 -1.851 12.460 1.00 0.00 C ATOM 1215 OH TYR A 74 3.800 -3.122 12.816 1.00 0.00 O ATOM 0 H TYR A 74 1.218 4.359 11.898 1.00 0.00 H new ATOM 0 HA TYR A 74 3.360 3.000 13.199 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.335 2.319 11.498 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.660 2.402 10.354 1.00 0.00 H new ATOM 0 HD1 TYR A 74 4.678 1.336 12.771 1.00 0.00 H new ATOM 0 HD2 TYR A 74 1.090 -0.052 10.832 1.00 0.00 H new ATOM 0 HE1 TYR A 74 5.264 -1.001 13.365 1.00 0.00 H new ATOM 0 HE2 TYR A 74 1.708 -2.394 11.373 1.00 0.00 H new ATOM 0 HH TYR A 74 3.105 -3.729 12.486 1.00 0.00 H new ATOM 1225 N ILE A 75 4.253 5.055 10.898 1.00 0.00 N ATOM 1226 CA ILE A 75 5.387 5.830 10.385 1.00 0.00 C ATOM 1227 C ILE A 75 5.211 7.317 10.769 1.00 0.00 C ATOM 1228 O ILE A 75 4.622 8.094 10.003 1.00 0.00 O ATOM 1229 CB ILE A 75 5.582 5.646 8.863 1.00 0.00 C ATOM 1230 CG1 ILE A 75 5.487 4.178 8.415 1.00 0.00 C ATOM 1231 CG2 ILE A 75 6.965 6.225 8.493 1.00 0.00 C ATOM 1232 CD1 ILE A 75 5.665 3.986 6.907 1.00 0.00 C ATOM 0 H ILE A 75 3.357 5.508 10.717 1.00 0.00 H new ATOM 0 HA ILE A 75 6.299 5.453 10.848 1.00 0.00 H new ATOM 0 HB ILE A 75 4.777 6.170 8.347 1.00 0.00 H new ATOM 0 HG12 ILE A 75 6.246 3.597 8.939 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.518 3.778 8.712 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.133 6.110 7.422 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.998 7.283 8.754 1.00 0.00 H new ATOM 0 HG23 ILE A 75 7.741 5.692 9.041 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.586 2.927 6.663 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.890 4.539 6.376 1.00 0.00 H new ATOM 0 HD13 ILE A 75 6.646 4.355 6.606 1.00 0.00 H new ATOM 1244 N PRO A 76 5.693 7.755 11.947 1.00 0.00 N ATOM 1245 CA PRO A 76 5.652 9.164 12.326 1.00 0.00 C ATOM 1246 C PRO A 76 6.489 9.995 11.341 1.00 0.00 C ATOM 1247 O PRO A 76 7.699 9.819 11.240 1.00 0.00 O ATOM 1248 CB PRO A 76 6.166 9.226 13.767 1.00 0.00 C ATOM 1249 CG PRO A 76 7.059 7.993 13.888 1.00 0.00 C ATOM 1250 CD PRO A 76 6.394 6.975 12.962 1.00 0.00 C ATOM 0 HA PRO A 76 4.649 9.588 12.281 1.00 0.00 H new ATOM 0 HB2 PRO A 76 6.724 10.144 13.954 1.00 0.00 H new ATOM 0 HB3 PRO A 76 5.347 9.199 14.486 1.00 0.00 H new ATOM 0 HG2 PRO A 76 8.082 8.207 13.579 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.105 7.631 14.915 1.00 0.00 H new ATOM 0 HD2 PRO A 76 7.135 6.318 12.507 1.00 0.00 H new ATOM 0 HD3 PRO A 76 5.701 6.339 13.514 1.00 0.00 H new ATOM 1258 N GLY A 77 5.831 10.857 10.561 1.00 0.00 N ATOM 1259 CA GLY A 77 6.464 11.711 9.547 1.00 0.00 C ATOM 1260 C GLY A 77 6.352 11.232 8.091 1.00 0.00 C ATOM 1261 O GLY A 77 6.794 11.958 7.204 1.00 0.00 O ATOM 0 H GLY A 77 4.821 10.985 10.617 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.025 12.706 9.615 1.00 0.00 H new ATOM 0 HA3 GLY A 77 7.521 11.811 9.794 1.00 0.00 H new ATOM 1265 N THR A 78 5.734 10.076 7.796 1.00 0.00 N ATOM 1266 CA THR A 78 5.671 9.526 6.420 1.00 0.00 C ATOM 1267 C THR A 78 5.178 10.501 5.344 1.00 0.00 C ATOM 1268 O THR A 78 4.151 11.168 5.520 1.00 0.00 O ATOM 1269 CB THR A 78 4.827 8.240 6.333 1.00 0.00 C ATOM 1270 OG1 THR A 78 4.710 7.797 5.003 1.00 0.00 O ATOM 1271 CG2 THR A 78 3.389 8.341 6.843 1.00 0.00 C ATOM 0 H THR A 78 5.266 9.497 8.493 1.00 0.00 H new ATOM 0 HA THR A 78 6.717 9.308 6.205 1.00 0.00 H new ATOM 0 HB THR A 78 5.380 7.559 6.979 1.00 0.00 H new ATOM 0 HG1 THR A 78 5.580 7.472 4.689 1.00 0.00 H new ATOM 0 HG21 THR A 78 2.895 7.376 6.731 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.395 8.626 7.895 1.00 0.00 H new ATOM 0 HG23 THR A 78 2.851 9.093 6.267 1.00 0.00 H new ATOM 1279 N LYS A 79 5.835 10.474 4.171 1.00 0.00 N ATOM 1280 CA LYS A 79 5.433 11.178 2.936 1.00 0.00 C ATOM 1281 C LYS A 79 4.065 10.723 2.393 1.00 0.00 C ATOM 1282 O LYS A 79 3.486 11.421 1.563 1.00 0.00 O ATOM 1283 CB LYS A 79 6.473 10.963 1.815 1.00 0.00 C ATOM 1284 CG LYS A 79 7.946 11.340 2.056 1.00 0.00 C ATOM 1285 CD LYS A 79 8.798 10.641 0.972 1.00 0.00 C ATOM 1286 CE LYS A 79 10.258 11.103 0.910 1.00 0.00 C ATOM 1287 NZ LYS A 79 11.054 10.247 -0.013 1.00 0.00 N ATOM 0 H LYS A 79 6.696 9.940 4.051 1.00 0.00 H new ATOM 0 HA LYS A 79 5.367 12.229 3.216 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.447 9.907 1.546 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.132 11.522 0.944 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.076 12.421 2.006 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.262 11.027 3.051 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.778 9.566 1.151 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.335 10.811 -0.000 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.300 12.140 0.576 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.695 11.071 1.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 11.709 10.842 -0.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 11.596 9.552 0.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.414 9.749 -0.664 1.00 0.00 H new ATOM 1301 N MET A 80 3.512 9.585 2.837 1.00 0.00 N ATOM 1302 CA MET A 80 2.175 9.109 2.478 1.00 0.00 C ATOM 1303 C MET A 80 1.093 10.035 3.059 1.00 0.00 C ATOM 1304 O MET A 80 0.572 9.826 4.158 1.00 0.00 O ATOM 1305 CB MET A 80 2.004 7.633 2.885 1.00 0.00 C ATOM 1306 CG MET A 80 0.615 7.122 2.492 1.00 0.00 C ATOM 1307 SD MET A 80 0.477 5.355 2.070 1.00 0.00 S ATOM 1308 CE MET A 80 -1.301 5.128 2.299 1.00 0.00 C ATOM 0 H MET A 80 3.999 8.955 3.474 1.00 0.00 H new ATOM 0 HA MET A 80 2.054 9.147 1.395 1.00 0.00 H new ATOM 0 HB2 MET A 80 2.770 7.026 2.403 1.00 0.00 H new ATOM 0 HB3 MET A 80 2.145 7.528 3.961 1.00 0.00 H new ATOM 0 HG2 MET A 80 -0.068 7.329 3.316 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.269 7.703 1.637 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.564 4.089 2.099 1.00 0.00 H new ATOM 0 HE2 MET A 80 -1.571 5.380 3.325 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.842 5.778 1.612 1.00 0.00 H new ATOM 1318 N ALA A 81 0.780 11.114 2.339 1.00 0.00 N ATOM 1319 CA ALA A 81 -0.133 12.182 2.764 1.00 0.00 C ATOM 1320 C ALA A 81 -1.624 11.809 2.782 1.00 0.00 C ATOM 1321 O ALA A 81 -2.455 12.584 3.234 1.00 0.00 O ATOM 1322 CB ALA A 81 0.134 13.415 1.893 1.00 0.00 C ATOM 0 H ALA A 81 1.168 11.276 1.410 1.00 0.00 H new ATOM 0 HA ALA A 81 0.083 12.388 3.812 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -0.534 14.223 2.191 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.168 13.734 2.021 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.042 13.166 0.846 1.00 0.00 H new ATOM 1328 N PHE A 82 -1.923 10.592 2.344 1.00 0.00 N ATOM 1329 CA PHE A 82 -3.237 9.967 2.132 1.00 0.00 C ATOM 1330 C PHE A 82 -4.197 10.003 3.338 1.00 0.00 C ATOM 1331 O PHE A 82 -5.409 9.903 3.176 1.00 0.00 O ATOM 1332 CB PHE A 82 -2.958 8.514 1.714 1.00 0.00 C ATOM 1333 CG PHE A 82 -4.181 7.646 1.495 1.00 0.00 C ATOM 1334 CD1 PHE A 82 -4.996 7.850 0.367 1.00 0.00 C ATOM 1335 CD2 PHE A 82 -4.508 6.635 2.420 1.00 0.00 C ATOM 1336 CE1 PHE A 82 -6.106 7.022 0.138 1.00 0.00 C ATOM 1337 CE2 PHE A 82 -5.631 5.816 2.201 1.00 0.00 C ATOM 1338 CZ PHE A 82 -6.419 6.002 1.052 1.00 0.00 C ATOM 0 H PHE A 82 -1.174 9.943 2.100 1.00 0.00 H new ATOM 0 HA PHE A 82 -3.763 10.544 1.371 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -2.374 8.526 0.794 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.337 8.048 2.479 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.767 8.647 -0.325 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.896 6.488 3.298 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -6.718 7.169 -0.739 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.887 5.046 2.914 1.00 0.00 H new ATOM 0 HZ PHE A 82 -7.268 5.359 0.871 1.00 0.00 H new ATOM 1348 N GLY A 83 -3.674 10.135 4.557 1.00 0.00 N ATOM 1349 CA GLY A 83 -4.464 10.097 5.785 1.00 0.00 C ATOM 1350 C GLY A 83 -4.808 8.659 6.162 1.00 0.00 C ATOM 1351 O GLY A 83 -4.017 8.023 6.851 1.00 0.00 O ATOM 0 H GLY A 83 -2.677 10.273 4.720 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.908 10.567 6.596 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.380 10.672 5.652 1.00 0.00 H new ATOM 1355 N GLY A 84 -5.944 8.140 5.683 1.00 0.00 N ATOM 1356 CA GLY A 84 -6.385 6.751 5.901 1.00 0.00 C ATOM 1357 C GLY A 84 -7.903 6.519 5.799 1.00 0.00 C ATOM 1358 O GLY A 84 -8.717 7.359 6.179 1.00 0.00 O ATOM 0 H GLY A 84 -6.599 8.683 5.120 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -5.887 6.111 5.173 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -6.051 6.432 6.888 1.00 0.00 H new ATOM 1362 N LEU A 85 -8.307 5.327 5.329 1.00 0.00 N ATOM 1363 CA LEU A 85 -9.704 4.893 5.178 1.00 0.00 C ATOM 1364 C LEU A 85 -10.146 3.993 6.349 1.00 0.00 C ATOM 1365 O LEU A 85 -9.706 2.846 6.459 1.00 0.00 O ATOM 1366 CB LEU A 85 -9.884 4.153 3.836 1.00 0.00 C ATOM 1367 CG LEU A 85 -9.693 5.006 2.569 1.00 0.00 C ATOM 1368 CD1 LEU A 85 -9.668 4.096 1.337 1.00 0.00 C ATOM 1369 CD2 LEU A 85 -10.821 6.021 2.369 1.00 0.00 C ATOM 0 H LEU A 85 -7.643 4.612 5.033 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.336 5.781 5.187 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.177 3.324 3.803 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -10.884 3.721 3.813 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.754 5.545 2.693 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -9.533 4.701 0.440 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.844 3.388 1.424 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -10.609 3.551 1.268 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -10.637 6.596 1.461 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -11.772 5.495 2.279 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -10.859 6.696 3.224 1.00 0.00 H new ATOM 1381 N LYS A 86 -11.025 4.512 7.216 1.00 0.00 N ATOM 1382 CA LYS A 86 -11.559 3.820 8.410 1.00 0.00 C ATOM 1383 C LYS A 86 -12.615 2.726 8.141 1.00 0.00 C ATOM 1384 O LYS A 86 -12.998 2.016 9.065 1.00 0.00 O ATOM 1385 CB LYS A 86 -12.146 4.867 9.374 1.00 0.00 C ATOM 1386 CG LYS A 86 -11.102 5.863 9.907 1.00 0.00 C ATOM 1387 CD LYS A 86 -11.759 6.828 10.902 1.00 0.00 C ATOM 1388 CE LYS A 86 -10.730 7.810 11.474 1.00 0.00 C ATOM 1389 NZ LYS A 86 -11.353 8.742 12.447 1.00 0.00 N ATOM 0 H LYS A 86 -11.400 5.454 7.108 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.709 3.290 8.839 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -12.935 5.419 8.862 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.610 4.354 10.216 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -10.288 5.325 10.393 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.665 6.422 9.080 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -12.557 7.380 10.406 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -12.218 6.263 11.713 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.928 7.256 11.961 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -10.277 8.379 10.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -10.631 9.393 12.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -12.102 9.287 11.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -11.763 8.199 13.234 1.00 0.00 H new ATOM 1403 N LYS A 87 -13.129 2.593 6.911 1.00 0.00 N ATOM 1404 CA LYS A 87 -14.087 1.537 6.544 1.00 0.00 C ATOM 1405 C LYS A 87 -13.340 0.218 6.350 1.00 0.00 C ATOM 1406 O LYS A 87 -12.667 0.041 5.341 1.00 0.00 O ATOM 1407 CB LYS A 87 -14.868 1.905 5.267 1.00 0.00 C ATOM 1408 CG LYS A 87 -16.129 2.744 5.522 1.00 0.00 C ATOM 1409 CD LYS A 87 -16.963 2.821 4.231 1.00 0.00 C ATOM 1410 CE LYS A 87 -18.319 3.516 4.394 1.00 0.00 C ATOM 1411 NZ LYS A 87 -18.175 4.977 4.598 1.00 0.00 N ATOM 0 H LYS A 87 -12.892 3.216 6.139 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.811 1.431 7.352 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.208 2.455 4.597 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.153 0.988 4.752 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.719 2.299 6.323 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -15.852 3.746 5.849 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -16.387 3.349 3.472 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -17.129 1.810 3.859 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -18.929 3.332 3.509 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -18.849 3.082 5.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -19.116 5.407 4.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -17.615 5.154 5.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -17.693 5.396 3.777 1.00 0.00 H new ATOM 1425 N GLU A 88 -13.511 -0.737 7.262 1.00 0.00 N ATOM 1426 CA GLU A 88 -12.982 -2.109 7.122 1.00 0.00 C ATOM 1427 C GLU A 88 -13.343 -2.756 5.766 1.00 0.00 C ATOM 1428 O GLU A 88 -12.553 -3.474 5.165 1.00 0.00 O ATOM 1429 CB GLU A 88 -13.542 -2.974 8.262 1.00 0.00 C ATOM 1430 CG GLU A 88 -12.791 -4.310 8.395 1.00 0.00 C ATOM 1431 CD GLU A 88 -13.531 -5.320 9.280 1.00 0.00 C ATOM 1432 OE1 GLU A 88 -14.754 -5.507 9.074 1.00 0.00 O ATOM 1433 OE2 GLU A 88 -12.862 -5.949 10.138 1.00 0.00 O ATOM 0 H GLU A 88 -14.024 -0.587 8.131 1.00 0.00 H new ATOM 0 HA GLU A 88 -11.895 -2.049 7.169 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -13.473 -2.425 9.201 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -14.599 -3.169 8.083 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -12.645 -4.740 7.404 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.801 -4.125 8.811 1.00 0.00 H new ATOM 1440 N LYS A 89 -14.550 -2.497 5.261 1.00 0.00 N ATOM 1441 CA LYS A 89 -15.085 -3.117 4.045 1.00 0.00 C ATOM 1442 C LYS A 89 -14.459 -2.561 2.768 1.00 0.00 C ATOM 1443 O LYS A 89 -14.188 -3.316 1.840 1.00 0.00 O ATOM 1444 CB LYS A 89 -16.612 -3.007 4.069 1.00 0.00 C ATOM 1445 CG LYS A 89 -17.150 -3.500 5.427 1.00 0.00 C ATOM 1446 CD LYS A 89 -18.350 -4.446 5.352 1.00 0.00 C ATOM 1447 CE LYS A 89 -18.546 -5.050 6.750 1.00 0.00 C ATOM 1448 NZ LYS A 89 -19.731 -5.939 6.810 1.00 0.00 N ATOM 0 H LYS A 89 -15.197 -1.837 5.693 1.00 0.00 H new ATOM 0 HA LYS A 89 -14.812 -4.172 4.034 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -16.914 -1.973 3.902 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -17.041 -3.599 3.261 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -16.343 -4.006 5.957 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -17.429 -2.632 6.025 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -19.244 -3.908 5.038 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -18.175 -5.231 4.616 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -17.656 -5.613 7.030 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -18.658 -4.248 7.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -19.827 -6.326 7.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -20.585 -5.396 6.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -19.614 -6.720 6.133 1.00 0.00 H new ATOM 1462 N ASP A 90 -14.159 -1.262 2.774 1.00 0.00 N ATOM 1463 CA ASP A 90 -13.344 -0.577 1.779 1.00 0.00 C ATOM 1464 C ASP A 90 -11.915 -1.151 1.788 1.00 0.00 C ATOM 1465 O ASP A 90 -11.352 -1.426 0.728 1.00 0.00 O ATOM 1466 CB ASP A 90 -13.286 0.930 2.093 1.00 0.00 C ATOM 1467 CG ASP A 90 -14.542 1.778 1.828 1.00 0.00 C ATOM 1468 OD1 ASP A 90 -15.666 1.231 1.830 1.00 0.00 O ATOM 1469 OD2 ASP A 90 -14.370 3.017 1.704 1.00 0.00 O ATOM 0 H ASP A 90 -14.493 -0.634 3.505 1.00 0.00 H new ATOM 0 HA ASP A 90 -13.791 -0.726 0.796 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -13.026 1.041 3.146 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -12.467 1.359 1.515 1.00 0.00 H new ATOM 1474 N ARG A 91 -11.331 -1.363 2.985 1.00 0.00 N ATOM 1475 CA ARG A 91 -10.005 -1.984 3.185 1.00 0.00 C ATOM 1476 C ARG A 91 -9.953 -3.403 2.616 1.00 0.00 C ATOM 1477 O ARG A 91 -9.041 -3.695 1.846 1.00 0.00 O ATOM 1478 CB ARG A 91 -9.589 -2.018 4.674 1.00 0.00 C ATOM 1479 CG ARG A 91 -9.554 -0.679 5.427 1.00 0.00 C ATOM 1480 CD ARG A 91 -8.133 -0.186 5.704 1.00 0.00 C ATOM 1481 NE ARG A 91 -7.480 0.313 4.478 1.00 0.00 N ATOM 1482 CZ ARG A 91 -6.979 1.516 4.285 1.00 0.00 C ATOM 1483 NH1 ARG A 91 -7.033 2.462 5.171 1.00 0.00 N ATOM 1484 NH2 ARG A 91 -6.403 1.816 3.155 1.00 0.00 N ATOM 0 H ARG A 91 -11.780 -1.100 3.862 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.299 -1.355 2.643 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -10.274 -2.683 5.200 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -8.597 -2.466 4.737 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -10.086 0.073 4.845 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -10.086 -0.786 6.372 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -8.162 0.608 6.450 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -7.542 -0.998 6.126 1.00 0.00 H new ATOM 0 HE ARG A 91 -7.409 -0.342 3.699 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -7.481 2.292 6.072 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -6.628 3.376 4.967 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -6.338 1.118 2.414 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -6.017 2.749 3.011 1.00 0.00 H new ATOM 1498 N ASN A 92 -10.912 -4.257 2.972 1.00 0.00 N ATOM 1499 CA ASN A 92 -10.994 -5.644 2.503 1.00 0.00 C ATOM 1500 C ASN A 92 -11.194 -5.729 0.979 1.00 0.00 C ATOM 1501 O ASN A 92 -10.516 -6.526 0.333 1.00 0.00 O ATOM 1502 CB ASN A 92 -12.066 -6.417 3.299 1.00 0.00 C ATOM 1503 CG ASN A 92 -11.616 -6.749 4.721 1.00 0.00 C ATOM 1504 OD1 ASN A 92 -10.441 -6.922 4.999 1.00 0.00 O ATOM 1505 ND2 ASN A 92 -12.518 -6.863 5.667 1.00 0.00 N ATOM 0 H ASN A 92 -11.669 -4.002 3.606 1.00 0.00 H new ATOM 0 HA ASN A 92 -10.037 -6.129 2.695 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -12.980 -5.825 3.340 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -12.308 -7.341 2.773 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -12.233 -7.093 6.619 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -13.505 -6.721 5.451 1.00 0.00 H new ATOM 1512 N ASP A 93 -12.040 -4.890 0.368 1.00 0.00 N ATOM 1513 CA ASP A 93 -12.118 -4.776 -1.103 1.00 0.00 C ATOM 1514 C ASP A 93 -10.769 -4.382 -1.734 1.00 0.00 C ATOM 1515 O ASP A 93 -10.303 -5.047 -2.664 1.00 0.00 O ATOM 1516 CB ASP A 93 -13.191 -3.757 -1.519 1.00 0.00 C ATOM 1517 CG ASP A 93 -14.522 -4.386 -1.922 1.00 0.00 C ATOM 1518 OD1 ASP A 93 -14.529 -5.423 -2.619 1.00 0.00 O ATOM 1519 OD2 ASP A 93 -15.552 -3.716 -1.696 1.00 0.00 O ATOM 0 H ASP A 93 -12.684 -4.276 0.867 1.00 0.00 H new ATOM 0 HA ASP A 93 -12.389 -5.765 -1.474 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -13.362 -3.067 -0.692 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.813 -3.167 -2.353 1.00 0.00 H new ATOM 1524 N LEU A 94 -10.136 -3.311 -1.234 1.00 0.00 N ATOM 1525 CA LEU A 94 -8.847 -2.805 -1.724 1.00 0.00 C ATOM 1526 C LEU A 94 -7.768 -3.889 -1.647 1.00 0.00 C ATOM 1527 O LEU A 94 -7.133 -4.181 -2.659 1.00 0.00 O ATOM 1528 CB LEU A 94 -8.460 -1.524 -0.952 1.00 0.00 C ATOM 1529 CG LEU A 94 -7.420 -0.597 -1.612 1.00 0.00 C ATOM 1530 CD1 LEU A 94 -6.021 -1.192 -1.777 1.00 0.00 C ATOM 1531 CD2 LEU A 94 -7.880 -0.114 -2.982 1.00 0.00 C ATOM 0 H LEU A 94 -10.514 -2.762 -0.462 1.00 0.00 H new ATOM 0 HA LEU A 94 -8.939 -2.539 -2.777 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -9.368 -0.946 -0.778 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.079 -1.820 0.025 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.345 0.228 -0.903 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.368 -0.459 -2.251 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.620 -1.457 -0.798 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.076 -2.085 -2.400 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.119 0.536 -3.413 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.037 -0.972 -3.636 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.813 0.439 -2.878 1.00 0.00 H new ATOM 1543 N ILE A 95 -7.601 -4.518 -0.478 1.00 0.00 N ATOM 1544 CA ILE A 95 -6.724 -5.680 -0.284 1.00 0.00 C ATOM 1545 C ILE A 95 -7.063 -6.769 -1.304 1.00 0.00 C ATOM 1546 O ILE A 95 -6.150 -7.239 -1.972 1.00 0.00 O ATOM 1547 CB ILE A 95 -6.785 -6.200 1.173 1.00 0.00 C ATOM 1548 CG1 ILE A 95 -6.192 -5.156 2.149 1.00 0.00 C ATOM 1549 CG2 ILE A 95 -6.012 -7.528 1.323 1.00 0.00 C ATOM 1550 CD1 ILE A 95 -6.639 -5.368 3.600 1.00 0.00 C ATOM 0 H ILE A 95 -8.080 -4.229 0.375 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.693 -5.372 -0.455 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.834 -6.371 1.415 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -5.104 -5.199 2.100 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.487 -4.157 1.826 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.072 -7.869 2.356 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.450 -8.280 0.667 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -4.968 -7.374 1.052 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.189 -4.604 4.235 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.725 -5.297 3.660 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.321 -6.354 3.938 1.00 0.00 H new ATOM 1562 N THR A 96 -8.339 -7.130 -1.479 1.00 0.00 N ATOM 1563 CA THR A 96 -8.760 -8.154 -2.457 1.00 0.00 C ATOM 1564 C THR A 96 -8.248 -7.840 -3.868 1.00 0.00 C ATOM 1565 O THR A 96 -7.760 -8.743 -4.545 1.00 0.00 O ATOM 1566 CB THR A 96 -10.286 -8.369 -2.473 1.00 0.00 C ATOM 1567 OG1 THR A 96 -10.754 -8.705 -1.188 1.00 0.00 O ATOM 1568 CG2 THR A 96 -10.698 -9.532 -3.376 1.00 0.00 C ATOM 0 H THR A 96 -9.112 -6.725 -0.951 1.00 0.00 H new ATOM 0 HA THR A 96 -8.303 -9.087 -2.127 1.00 0.00 H new ATOM 0 HB THR A 96 -10.709 -7.432 -2.835 1.00 0.00 H new ATOM 0 HG1 THR A 96 -10.770 -7.903 -0.626 1.00 0.00 H new ATOM 0 HG21 THR A 96 -11.782 -9.644 -3.354 1.00 0.00 H new ATOM 0 HG22 THR A 96 -10.375 -9.332 -4.397 1.00 0.00 H new ATOM 0 HG23 THR A 96 -10.231 -10.451 -3.021 1.00 0.00 H new ATOM 1576 N TYR A 97 -8.289 -6.579 -4.310 1.00 0.00 N ATOM 1577 CA TYR A 97 -7.635 -6.161 -5.556 1.00 0.00 C ATOM 1578 C TYR A 97 -6.105 -6.238 -5.485 1.00 0.00 C ATOM 1579 O TYR A 97 -5.504 -6.894 -6.329 1.00 0.00 O ATOM 1580 CB TYR A 97 -8.085 -4.755 -5.954 1.00 0.00 C ATOM 1581 CG TYR A 97 -7.343 -4.177 -7.146 1.00 0.00 C ATOM 1582 CD1 TYR A 97 -7.636 -4.642 -8.440 1.00 0.00 C ATOM 1583 CD2 TYR A 97 -6.359 -3.183 -6.964 1.00 0.00 C ATOM 1584 CE1 TYR A 97 -6.986 -4.081 -9.557 1.00 0.00 C ATOM 1585 CE2 TYR A 97 -5.693 -2.638 -8.076 1.00 0.00 C ATOM 1586 CZ TYR A 97 -6.022 -3.070 -9.380 1.00 0.00 C ATOM 1587 OH TYR A 97 -5.422 -2.515 -10.465 1.00 0.00 O ATOM 0 H TYR A 97 -8.771 -5.825 -3.820 1.00 0.00 H new ATOM 0 HA TYR A 97 -7.947 -6.869 -6.324 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -9.151 -4.777 -6.180 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -7.954 -4.089 -5.101 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -8.361 -5.431 -8.578 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -6.117 -2.840 -5.969 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -7.228 -4.427 -10.551 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -4.929 -1.888 -7.933 1.00 0.00 H new ATOM 0 HH TYR A 97 -4.783 -1.832 -10.172 1.00 0.00 H new ATOM 1597 N LEU A 98 -5.467 -5.568 -4.518 1.00 0.00 N ATOM 1598 CA LEU A 98 -4.002 -5.421 -4.468 1.00 0.00 C ATOM 1599 C LEU A 98 -3.263 -6.749 -4.331 1.00 0.00 C ATOM 1600 O LEU A 98 -2.231 -6.961 -4.972 1.00 0.00 O ATOM 1601 CB LEU A 98 -3.604 -4.503 -3.299 1.00 0.00 C ATOM 1602 CG LEU A 98 -2.413 -3.589 -3.651 1.00 0.00 C ATOM 1603 CD1 LEU A 98 -2.868 -2.364 -4.447 1.00 0.00 C ATOM 1604 CD2 LEU A 98 -1.740 -3.089 -2.375 1.00 0.00 C ATOM 0 H LEU A 98 -5.950 -5.110 -3.745 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.708 -4.984 -5.422 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.459 -3.889 -3.015 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.348 -5.113 -2.433 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.720 -4.179 -4.250 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -2.005 -1.740 -4.679 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.342 -2.688 -5.374 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.582 -1.790 -3.856 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.900 -2.445 -2.635 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.460 -2.526 -1.781 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.379 -3.940 -1.797 1.00 0.00 H new ATOM 1616 N LYS A 99 -3.839 -7.640 -3.527 1.00 0.00 N ATOM 1617 CA LYS A 99 -3.508 -9.063 -3.471 1.00 0.00 C ATOM 1618 C LYS A 99 -3.556 -9.662 -4.883 1.00 0.00 C ATOM 1619 O LYS A 99 -2.518 -10.076 -5.376 1.00 0.00 O ATOM 1620 CB LYS A 99 -4.420 -9.765 -2.444 1.00 0.00 C ATOM 1621 CG LYS A 99 -3.841 -11.085 -1.917 1.00 0.00 C ATOM 1622 CD LYS A 99 -4.819 -11.797 -0.964 1.00 0.00 C ATOM 1623 CE LYS A 99 -4.159 -12.577 0.182 1.00 0.00 C ATOM 1624 NZ LYS A 99 -3.214 -13.630 -0.252 1.00 0.00 N ATOM 0 H LYS A 99 -4.577 -7.381 -2.872 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.488 -9.217 -3.119 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -4.594 -9.092 -1.604 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.389 -9.960 -2.903 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -3.608 -11.741 -2.756 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -2.904 -10.889 -1.396 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.492 -11.053 -0.537 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.432 -12.485 -1.545 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -3.629 -11.874 0.824 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -4.940 -13.036 0.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -3.064 -14.304 0.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -3.607 -14.131 -1.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -2.306 -13.195 -0.513 1.00 0.00 H new ATOM 1638 N LYS A 100 -4.681 -9.580 -5.609 1.00 0.00 N ATOM 1639 CA LYS A 100 -4.831 -10.142 -6.975 1.00 0.00 C ATOM 1640 C LYS A 100 -4.017 -9.421 -8.062 1.00 0.00 C ATOM 1641 O LYS A 100 -3.918 -9.910 -9.181 1.00 0.00 O ATOM 1642 CB LYS A 100 -6.323 -10.259 -7.346 1.00 0.00 C ATOM 1643 CG LYS A 100 -6.797 -11.667 -7.768 1.00 0.00 C ATOM 1644 CD LYS A 100 -6.772 -12.021 -9.271 1.00 0.00 C ATOM 1645 CE LYS A 100 -5.441 -12.496 -9.876 1.00 0.00 C ATOM 1646 NZ LYS A 100 -4.850 -13.648 -9.163 1.00 0.00 N ATOM 0 H LYS A 100 -5.525 -9.119 -5.268 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.395 -11.140 -6.939 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.918 -9.936 -6.492 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.532 -9.566 -8.161 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -6.182 -12.398 -7.243 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.819 -11.796 -7.412 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -7.515 -12.800 -9.443 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -7.097 -11.142 -9.827 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -5.601 -12.767 -10.920 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -4.731 -11.669 -9.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -3.916 -13.864 -9.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -4.746 -13.416 -8.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -5.472 -14.476 -9.265 1.00 0.00 H new ATOM 1660 N ALA A 101 -3.428 -8.270 -7.754 1.00 0.00 N ATOM 1661 CA ALA A 101 -2.448 -7.581 -8.586 1.00 0.00 C ATOM 1662 C ALA A 101 -0.991 -8.023 -8.310 1.00 0.00 C ATOM 1663 O ALA A 101 -0.085 -7.601 -9.030 1.00 0.00 O ATOM 1664 CB ALA A 101 -2.653 -6.079 -8.389 1.00 0.00 C ATOM 0 H ALA A 101 -3.628 -7.773 -6.886 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.609 -7.848 -9.630 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -1.935 -5.531 -8.998 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.665 -5.807 -8.689 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -2.506 -5.826 -7.339 1.00 0.00 H new ATOM 1670 N THR A 102 -0.766 -8.865 -7.293 1.00 0.00 N ATOM 1671 CA THR A 102 0.514 -9.517 -6.951 1.00 0.00 C ATOM 1672 C THR A 102 0.439 -11.056 -7.063 1.00 0.00 C ATOM 1673 O THR A 102 1.429 -11.664 -7.457 1.00 0.00 O ATOM 1674 CB THR A 102 0.966 -9.094 -5.540 1.00 0.00 C ATOM 1675 OG1 THR A 102 1.344 -7.729 -5.535 1.00 0.00 O ATOM 1676 CG2 THR A 102 2.178 -9.864 -5.022 1.00 0.00 C ATOM 0 H THR A 102 -1.511 -9.127 -6.648 1.00 0.00 H new ATOM 0 HA THR A 102 1.254 -9.184 -7.679 1.00 0.00 H new ATOM 0 HB THR A 102 0.108 -9.300 -4.900 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.628 -7.471 -4.633 1.00 0.00 H new ATOM 0 HG21 THR A 102 2.435 -9.509 -4.024 1.00 0.00 H new ATOM 0 HG22 THR A 102 1.943 -10.927 -4.980 1.00 0.00 H new ATOM 0 HG23 THR A 102 3.023 -9.706 -5.692 1.00 0.00 H new ATOM 1684 N GLU A 103 -0.715 -11.679 -6.769 1.00 0.00 N ATOM 1685 CA GLU A 103 -0.997 -13.134 -6.796 1.00 0.00 C ATOM 1686 C GLU A 103 -2.323 -13.469 -7.501 1.00 0.00 C ATOM 1687 O GLU A 103 -2.281 -13.975 -8.647 1.00 0.00 O ATOM 1688 CB GLU A 103 -0.925 -13.742 -5.370 1.00 0.00 C ATOM 1689 CG GLU A 103 -1.716 -12.976 -4.290 1.00 0.00 C ATOM 1690 CD GLU A 103 -1.831 -13.704 -2.939 1.00 0.00 C ATOM 1691 OE1 GLU A 103 -2.711 -14.581 -2.756 1.00 0.00 O ATOM 1692 OE2 GLU A 103 -1.191 -13.244 -1.957 1.00 0.00 O ATOM 1693 OXT GLU A 103 -3.423 -13.203 -6.970 1.00 0.00 O ATOM 0 H GLU A 103 -1.537 -11.146 -6.485 1.00 0.00 H new ATOM 0 HA GLU A 103 -0.215 -13.600 -7.395 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -1.294 -14.767 -5.410 1.00 0.00 H new ATOM 0 HB3 GLU A 103 0.120 -13.792 -5.066 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -1.239 -12.009 -4.127 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -2.719 -12.777 -4.667 1.00 0.00 H new TER 1700 GLU A 103 HETATM 1701 FE HEC A 104 0.932 4.685 -0.149 1.00 0.00 FE HETATM 1702 CHA HEC A 104 4.077 3.754 1.056 1.00 0.00 C HETATM 1703 CHB HEC A 104 -0.080 1.401 -0.135 1.00 0.00 C HETATM 1704 CHC HEC A 104 -2.200 5.736 -1.227 1.00 0.00 C HETATM 1705 CHD HEC A 104 2.228 7.847 -0.970 1.00 0.00 C HETATM 1706 NA HEC A 104 1.840 2.878 0.416 1.00 0.00 N HETATM 1707 C1A HEC A 104 3.116 2.745 0.886 1.00 0.00 C HETATM 1708 C2A HEC A 104 3.339 1.331 1.106 1.00 0.00 C HETATM 1709 C3A HEC A 104 2.188 0.671 0.730 1.00 0.00 C HETATM 1710 C4A HEC A 104 1.228 1.668 0.306 1.00 0.00 C HETATM 1711 CMA HEC A 104 1.983 -0.826 0.785 1.00 0.00 C HETATM 1712 CAA HEC A 104 4.630 0.668 1.548 1.00 0.00 C HETATM 1713 CBA HEC A 104 5.787 0.838 0.560 1.00 0.00 C HETATM 1714 CGA HEC A 104 6.964 -0.116 0.804 1.00 0.00 C HETATM 1715 O1A HEC A 104 7.498 -0.683 -0.172 1.00 0.00 O HETATM 1716 O2A HEC A 104 7.405 -0.261 1.965 1.00 0.00 O HETATM 1717 NB HEC A 104 -0.847 3.745 -0.533 1.00 0.00 N HETATM 1718 C1B HEC A 104 -1.021 2.392 -0.475 1.00 0.00 C HETATM 1719 C2B HEC A 104 -2.379 2.128 -0.889 1.00 0.00 C HETATM 1720 C3B HEC A 104 -3.014 3.345 -1.057 1.00 0.00 C HETATM 1721 C4B HEC A 104 -1.999 4.370 -0.940 1.00 0.00 C HETATM 1722 CMB HEC A 104 -2.956 0.761 -1.166 1.00 0.00 C HETATM 1723 CAB HEC A 104 -4.497 3.583 -1.290 1.00 0.00 C HETATM 1724 CBB HEC A 104 -5.343 3.022 -0.144 1.00 0.00 C HETATM 1725 NC HEC A 104 0.132 6.523 -0.900 1.00 0.00 N HETATM 1726 C1C HEC A 104 -1.167 6.687 -1.258 1.00 0.00 C HETATM 1727 C2C HEC A 104 -1.297 8.023 -1.792 1.00 0.00 C HETATM 1728 C3C HEC A 104 -0.050 8.616 -1.747 1.00 0.00 C HETATM 1729 C4C HEC A 104 0.857 7.646 -1.168 1.00 0.00 C HETATM 1730 CMC HEC A 104 -2.524 8.568 -2.478 1.00 0.00 C HETATM 1731 CAC HEC A 104 0.335 9.963 -2.342 1.00 0.00 C HETATM 1732 CBC HEC A 104 -0.153 11.136 -1.489 1.00 0.00 C HETATM 1733 ND HEC A 104 2.829 5.646 0.027 1.00 0.00 N HETATM 1734 C1D HEC A 104 3.093 6.911 -0.389 1.00 0.00 C HETATM 1735 C2D HEC A 104 4.499 7.130 -0.168 1.00 0.00 C HETATM 1736 C3D HEC A 104 4.979 6.059 0.564 1.00 0.00 C HETATM 1737 C4D HEC A 104 3.934 5.062 0.570 1.00 0.00 C HETATM 1738 CMD HEC A 104 5.273 8.299 -0.723 1.00 0.00 C HETATM 1739 CAD HEC A 104 6.294 5.972 1.322 1.00 0.00 C HETATM 1740 CBD HEC A 104 6.727 7.319 1.902 1.00 0.00 C HETATM 1741 CGD HEC A 104 7.548 7.271 3.182 1.00 0.00 C HETATM 1742 O1D HEC A 104 7.120 7.958 4.134 1.00 0.00 O HETATM 1743 O2D HEC A 104 8.639 6.663 3.205 1.00 0.00 O HETATM 0 HMD3 HEC A 104 5.221 8.286 -1.812 1.00 0.00 H new HETATM 0 HMD2 HEC A 104 4.844 9.229 -0.350 1.00 0.00 H new HETATM 0 HMD1 HEC A 104 6.314 8.228 -0.409 1.00 0.00 H new HETATM 0 HMC3 HEC A 104 -2.745 7.966 -3.360 1.00 0.00 H new HETATM 0 HMC2 HEC A 104 -3.370 8.532 -1.792 1.00 0.00 H new HETATM 0 HMC1 HEC A 104 -2.344 9.600 -2.779 1.00 0.00 H new HETATM 0 HMB3 HEC A 104 -2.396 0.286 -1.971 1.00 0.00 H new HETATM 0 HMB2 HEC A 104 -2.889 0.149 -0.267 1.00 0.00 H new HETATM 0 HMB1 HEC A 104 -4.001 0.860 -1.460 1.00 0.00 H new HETATM 0 HMA3 HEC A 104 2.723 -1.318 0.153 1.00 0.00 H new HETATM 0 HMA2 HEC A 104 2.096 -1.171 1.813 1.00 0.00 H new HETATM 0 HMA1 HEC A 104 0.982 -1.069 0.429 1.00 0.00 H new HETATM 0 HBD2 HEC A 104 7.306 7.847 1.144 1.00 0.00 H new HETATM 0 HBD1 HEC A 104 5.833 7.913 2.092 1.00 0.00 H new HETATM 0 HBC3 HEC A 104 -1.240 11.101 -1.409 1.00 0.00 H new HETATM 0 HBC2 HEC A 104 0.286 11.069 -0.494 1.00 0.00 H new HETATM 0 HBC1 HEC A 104 0.146 12.074 -1.956 1.00 0.00 H new HETATM 0 HBB3 HEC A 104 -5.176 1.948 -0.060 1.00 0.00 H new HETATM 0 HBB2 HEC A 104 -5.059 3.508 0.790 1.00 0.00 H new HETATM 0 HBB1 HEC A 104 -6.398 3.210 -0.344 1.00 0.00 H new HETATM 0 HBA2 HEC A 104 5.412 0.684 -0.452 1.00 0.00 H new HETATM 0 HBA1 HEC A 104 6.148 1.865 0.613 1.00 0.00 H new HETATM 0 HAD2 HEC A 104 6.196 5.247 2.130 1.00 0.00 H new HETATM 0 HAD1 HEC A 104 7.071 5.602 0.653 1.00 0.00 H new HETATM 0 HAA2 HEC A 104 4.926 1.080 2.513 1.00 0.00 H new HETATM 0 HAA1 HEC A 104 4.447 -0.396 1.698 1.00 0.00 H new HETATM 0 HHD HEC A 104 2.652 8.799 -1.290 1.00 0.00 H new HETATM 0 HHC HEC A 104 -3.215 6.073 -1.437 1.00 0.00 H new HETATM 0 HHB HEC A 104 -0.386 0.358 -0.219 1.00 0.00 H new HETATM 0 HHA HEC A 104 4.989 3.506 1.598 1.00 0.00 H new HETATM 0 H2D HEC A 104 8.997 6.668 4.117 1.00 0.00 H new HETATM 0 H2A HEC A 104 7.079 0.469 2.532 1.00 0.00 H new