USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 799 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 78 GLN : amide:sc= -17.2! C(o=-22!,f=-31!) USER MOD Set 1.2: A 126 MET CE :methyl 161:sc= -4.47! (180deg=-3.1!) USER MOD Set 2.1: A 85 MET CE :methyl 164:sc= -0.0149 (180deg=0) USER MOD Set 2.2: A 89 SER OG : rot -130:sc= 1.28 USER MOD Set 3.1: A 57 LYS NZ :NH3+ -121:sc= -0.0944! (180deg=0.00104) USER MOD Set 3.2: A 71 TYR OH : rot 30:sc= -1.11! USER MOD Single : A 29 SER OG : rot -64:sc= 0.415! USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -4.26! C(o=-4.3!,f=-18!) USER MOD Single : A 39 LYS NZ :NH3+ -103:sc= -0.128 (180deg=-0.979) USER MOD Single : A 42 HIS : no HE2:sc= -16.3! C(o=-16!,f=-14!) USER MOD Single : A 45 CYS SG : rot -44:sc= -8.24! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= -12.6! C(o=-13!,f=-15!) USER MOD Single : A 50 LYS NZ :NH3+ 147:sc= 1.33 (180deg=-0.77) USER MOD Single : A 52 MET CE :methyl -145:sc= -11! (180deg=-16.3!) USER MOD Single : A 55 MET CE :methyl -155:sc= -5.44! (180deg=-7.49!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 65:sc= -1.43! USER MOD Single : A 62 MET CE :methyl -139:sc= -0.0683 (180deg=-1.51) USER MOD Single : A 65 ASN : amide:sc= -4.36! C(o=-4.4!,f=-9.3!) USER MOD Single : A 70 GLN : amide:sc= -12.1! C(o=-12!,f=-10!) USER MOD Single : A 72 SER OG : rot -124:sc= -0.0196! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0102 USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= -6.99! C(o=-7!,f=-18!) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 MET CE :methyl 173:sc= 0 (180deg=-0.0285) USER MOD Single : A 108 LYS NZ :NH3+ -148:sc= -0.111 (180deg=-1.04) USER MOD Single : A 112 THR OG1 : rot 21:sc= 0.402 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot -143:sc= -1.71 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 HIS : no HE2:sc= -9.18! C(o=-9.2!,f=-9.8!) USER MOD Single : A 131 LYS NZ :NH3+ -150:sc= -0.19 (180deg=-1.59!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 28 66.575 -20.819 3.858 1.00 0.00 N ATOM 2 CA GLY A 28 67.283 -19.777 3.063 1.00 0.00 C ATOM 3 C GLY A 28 67.034 -20.015 1.572 1.00 0.00 C ATOM 4 O GLY A 28 67.956 -20.131 0.790 1.00 0.00 O ATOM 0 HA2 GLY A 28 66.931 -18.786 3.348 1.00 0.00 H new ATOM 0 HA3 GLY A 28 68.352 -19.808 3.273 1.00 0.00 H new ATOM 10 N SER A 29 65.794 -20.087 1.173 1.00 0.00 N ATOM 11 CA SER A 29 65.486 -20.318 -0.268 1.00 0.00 C ATOM 12 C SER A 29 66.264 -21.531 -0.789 1.00 0.00 C ATOM 13 O SER A 29 66.569 -22.447 -0.051 1.00 0.00 O ATOM 14 CB SER A 29 65.940 -19.043 -0.979 1.00 0.00 C ATOM 15 OG SER A 29 67.227 -19.246 -1.543 1.00 0.00 O ATOM 0 H SER A 29 64.981 -19.996 1.782 1.00 0.00 H new ATOM 0 HA SER A 29 64.429 -20.524 -0.436 1.00 0.00 H new ATOM 0 HB2 SER A 29 65.228 -18.776 -1.760 1.00 0.00 H new ATOM 0 HB3 SER A 29 65.967 -18.212 -0.275 1.00 0.00 H new ATOM 0 HG SER A 29 67.878 -19.397 -0.826 1.00 0.00 H new ATOM 21 N GLY A 30 66.586 -21.543 -2.053 1.00 0.00 N ATOM 22 CA GLY A 30 67.341 -22.697 -2.618 1.00 0.00 C ATOM 23 C GLY A 30 68.715 -22.220 -3.103 1.00 0.00 C ATOM 24 O GLY A 30 69.703 -22.394 -2.419 1.00 0.00 O ATOM 0 H GLY A 30 66.359 -20.804 -2.719 1.00 0.00 H new ATOM 0 HA2 GLY A 30 67.460 -23.473 -1.862 1.00 0.00 H new ATOM 0 HA3 GLY A 30 66.785 -23.140 -3.445 1.00 0.00 H new ATOM 28 N PRO A 31 68.734 -21.630 -4.274 1.00 0.00 N ATOM 29 CA PRO A 31 70.001 -21.123 -4.855 1.00 0.00 C ATOM 30 C PRO A 31 70.616 -20.051 -3.950 1.00 0.00 C ATOM 31 O PRO A 31 70.445 -20.068 -2.747 1.00 0.00 O ATOM 32 CB PRO A 31 69.544 -20.525 -6.189 1.00 0.00 C ATOM 33 CG PRO A 31 68.021 -20.719 -6.324 1.00 0.00 C ATOM 34 CD PRO A 31 67.500 -21.440 -5.074 1.00 0.00 C ATOM 0 HA PRO A 31 70.769 -21.888 -4.969 1.00 0.00 H new ATOM 0 HB2 PRO A 31 69.795 -19.465 -6.233 1.00 0.00 H new ATOM 0 HB3 PRO A 31 70.061 -21.010 -7.017 1.00 0.00 H new ATOM 0 HG2 PRO A 31 67.526 -19.754 -6.436 1.00 0.00 H new ATOM 0 HG3 PRO A 31 67.793 -21.300 -7.217 1.00 0.00 H new ATOM 0 HD2 PRO A 31 66.759 -20.844 -4.541 1.00 0.00 H new ATOM 0 HD3 PRO A 31 67.027 -22.390 -5.321 1.00 0.00 H new ATOM 42 N LYS A 32 71.332 -19.118 -4.519 1.00 0.00 N ATOM 43 CA LYS A 32 71.959 -18.046 -3.691 1.00 0.00 C ATOM 44 C LYS A 32 73.073 -18.635 -2.821 1.00 0.00 C ATOM 45 O LYS A 32 73.149 -19.830 -2.618 1.00 0.00 O ATOM 46 CB LYS A 32 70.827 -17.500 -2.819 1.00 0.00 C ATOM 47 CG LYS A 32 70.965 -15.981 -2.697 1.00 0.00 C ATOM 48 CD LYS A 32 70.606 -15.327 -4.032 1.00 0.00 C ATOM 49 CE LYS A 32 70.123 -13.896 -3.786 1.00 0.00 C ATOM 50 NZ LYS A 32 70.937 -13.054 -4.707 1.00 0.00 N ATOM 0 H LYS A 32 71.510 -19.052 -5.521 1.00 0.00 H new ATOM 0 HA LYS A 32 72.412 -17.265 -4.302 1.00 0.00 H new ATOM 0 HB2 LYS A 32 69.862 -17.754 -3.256 1.00 0.00 H new ATOM 0 HB3 LYS A 32 70.860 -17.960 -1.831 1.00 0.00 H new ATOM 0 HG2 LYS A 32 70.310 -15.608 -1.909 1.00 0.00 H new ATOM 0 HG3 LYS A 32 71.985 -15.719 -2.414 1.00 0.00 H new ATOM 0 HD2 LYS A 32 71.474 -15.321 -4.691 1.00 0.00 H new ATOM 0 HD3 LYS A 32 69.829 -15.903 -4.534 1.00 0.00 H new ATOM 0 HE2 LYS A 32 69.058 -13.797 -3.997 1.00 0.00 H new ATOM 0 HE3 LYS A 32 70.271 -13.602 -2.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 70.664 -12.056 -4.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 71.945 -13.164 -4.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 70.770 -13.353 -5.689 1.00 0.00 H new ATOM 64 N GLY A 33 73.938 -17.804 -2.305 1.00 0.00 N ATOM 65 CA GLY A 33 75.046 -18.317 -1.452 1.00 0.00 C ATOM 66 C GLY A 33 75.437 -17.251 -0.426 1.00 0.00 C ATOM 67 O GLY A 33 74.904 -17.199 0.664 1.00 0.00 O ATOM 0 H GLY A 33 73.925 -16.793 -2.438 1.00 0.00 H new ATOM 0 HA2 GLY A 33 74.735 -19.229 -0.943 1.00 0.00 H new ATOM 0 HA3 GLY A 33 75.906 -18.574 -2.070 1.00 0.00 H new ATOM 71 N GLY A 34 76.365 -16.398 -0.768 1.00 0.00 N ATOM 72 CA GLY A 34 76.787 -15.337 0.189 1.00 0.00 C ATOM 73 C GLY A 34 78.244 -14.953 -0.079 1.00 0.00 C ATOM 74 O GLY A 34 78.606 -13.794 -0.046 1.00 0.00 O ATOM 0 H GLY A 34 76.848 -16.391 -1.667 1.00 0.00 H new ATOM 0 HA2 GLY A 34 76.145 -14.462 0.084 1.00 0.00 H new ATOM 0 HA3 GLY A 34 76.677 -15.693 1.213 1.00 0.00 H new ATOM 78 N GLY A 35 79.083 -15.917 -0.341 1.00 0.00 N ATOM 79 CA GLY A 35 80.516 -15.606 -0.608 1.00 0.00 C ATOM 80 C GLY A 35 81.213 -15.268 0.712 1.00 0.00 C ATOM 81 O GLY A 35 80.576 -14.957 1.698 1.00 0.00 O ATOM 0 H GLY A 35 78.839 -16.906 -0.382 1.00 0.00 H new ATOM 0 HA2 GLY A 35 81.003 -16.458 -1.082 1.00 0.00 H new ATOM 0 HA3 GLY A 35 80.596 -14.768 -1.300 1.00 0.00 H new ATOM 85 N ASN A 36 82.518 -15.328 0.741 1.00 0.00 N ATOM 86 CA ASN A 36 83.246 -15.011 2.004 1.00 0.00 C ATOM 87 C ASN A 36 84.000 -13.685 1.868 1.00 0.00 C ATOM 88 O ASN A 36 83.980 -12.856 2.755 1.00 0.00 O ATOM 89 CB ASN A 36 84.221 -16.174 2.206 1.00 0.00 C ATOM 90 CG ASN A 36 85.417 -16.016 1.263 1.00 0.00 C ATOM 91 OD1 ASN A 36 85.253 -15.953 0.061 1.00 0.00 O ATOM 92 ND2 ASN A 36 86.620 -15.946 1.761 1.00 0.00 N ATOM 0 H ASN A 36 83.109 -15.581 -0.051 1.00 0.00 H new ATOM 0 HA ASN A 36 82.570 -14.899 2.851 1.00 0.00 H new ATOM 0 HB2 ASN A 36 84.563 -16.199 3.241 1.00 0.00 H new ATOM 0 HB3 ASN A 36 83.717 -17.121 2.014 1.00 0.00 H new ATOM 0 HD21 ASN A 36 87.423 -15.838 1.141 1.00 0.00 H new ATOM 0 HD22 ASN A 36 86.758 -15.999 2.770 1.00 0.00 H new ATOM 99 N ALA A 37 84.657 -13.479 0.764 1.00 0.00 N ATOM 100 CA ALA A 37 85.408 -12.209 0.565 1.00 0.00 C ATOM 101 C ALA A 37 84.717 -11.371 -0.510 1.00 0.00 C ATOM 102 O ALA A 37 84.174 -11.901 -1.449 1.00 0.00 O ATOM 103 CB ALA A 37 86.802 -12.635 0.104 1.00 0.00 C ATOM 0 H ALA A 37 84.707 -14.138 -0.013 1.00 0.00 H new ATOM 0 HA ALA A 37 85.455 -11.603 1.470 1.00 0.00 H new ATOM 0 HB1 ALA A 37 87.416 -11.750 -0.064 1.00 0.00 H new ATOM 0 HB2 ALA A 37 87.264 -13.257 0.870 1.00 0.00 H new ATOM 0 HB3 ALA A 37 86.721 -13.202 -0.824 1.00 0.00 H new ATOM 109 N VAL A 38 84.713 -10.076 -0.353 1.00 0.00 N ATOM 110 CA VAL A 38 84.043 -9.178 -1.352 1.00 0.00 C ATOM 111 C VAL A 38 84.752 -7.815 -1.375 1.00 0.00 C ATOM 112 O VAL A 38 85.295 -7.403 -0.369 1.00 0.00 O ATOM 113 CB VAL A 38 82.598 -9.043 -0.849 1.00 0.00 C ATOM 114 CG1 VAL A 38 82.091 -10.400 -0.349 1.00 0.00 C ATOM 115 CG2 VAL A 38 82.537 -8.028 0.297 1.00 0.00 C ATOM 0 H VAL A 38 85.149 -9.591 0.432 1.00 0.00 H new ATOM 0 HA VAL A 38 84.077 -9.570 -2.369 1.00 0.00 H new ATOM 0 HB VAL A 38 81.970 -8.701 -1.672 1.00 0.00 H new ATOM 0 HG11 VAL A 38 81.066 -10.297 0.006 1.00 0.00 H new ATOM 0 HG12 VAL A 38 82.122 -11.123 -1.164 1.00 0.00 H new ATOM 0 HG13 VAL A 38 82.725 -10.747 0.467 1.00 0.00 H new ATOM 0 HG21 VAL A 38 81.509 -7.938 0.649 1.00 0.00 H new ATOM 0 HG22 VAL A 38 83.172 -8.365 1.116 1.00 0.00 H new ATOM 0 HG23 VAL A 38 82.886 -7.058 -0.057 1.00 0.00 H new ATOM 125 N LYS A 39 84.772 -7.085 -2.477 1.00 0.00 N ATOM 126 CA LYS A 39 85.477 -5.767 -2.405 1.00 0.00 C ATOM 127 C LYS A 39 84.496 -4.700 -1.946 1.00 0.00 C ATOM 128 O LYS A 39 83.816 -4.078 -2.735 1.00 0.00 O ATOM 129 CB LYS A 39 85.922 -5.473 -3.819 1.00 0.00 C ATOM 130 CG LYS A 39 87.346 -5.982 -4.015 1.00 0.00 C ATOM 131 CD LYS A 39 88.283 -5.187 -3.104 1.00 0.00 C ATOM 132 CE LYS A 39 89.728 -5.620 -3.363 1.00 0.00 C ATOM 133 NZ LYS A 39 90.518 -4.356 -3.338 1.00 0.00 N ATOM 0 H LYS A 39 84.353 -7.332 -3.374 1.00 0.00 H new ATOM 0 HA LYS A 39 86.316 -5.783 -1.709 1.00 0.00 H new ATOM 0 HB2 LYS A 39 85.251 -5.953 -4.531 1.00 0.00 H new ATOM 0 HB3 LYS A 39 85.877 -4.401 -4.011 1.00 0.00 H new ATOM 0 HG2 LYS A 39 87.403 -7.045 -3.780 1.00 0.00 H new ATOM 0 HG3 LYS A 39 87.647 -5.870 -5.057 1.00 0.00 H new ATOM 0 HD2 LYS A 39 88.172 -4.119 -3.292 1.00 0.00 H new ATOM 0 HD3 LYS A 39 88.022 -5.356 -2.059 1.00 0.00 H new ATOM 0 HE2 LYS A 39 90.074 -6.317 -2.600 1.00 0.00 H new ATOM 0 HE3 LYS A 39 89.823 -6.126 -4.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 90.749 -4.072 -4.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 89.960 -3.607 -2.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 91.397 -4.507 -2.803 1.00 0.00 H new ATOM 147 N VAL A 40 84.412 -4.512 -0.659 1.00 0.00 N ATOM 148 CA VAL A 40 83.449 -3.519 -0.102 1.00 0.00 C ATOM 149 C VAL A 40 84.118 -2.187 0.253 1.00 0.00 C ATOM 150 O VAL A 40 85.222 -2.141 0.761 1.00 0.00 O ATOM 151 CB VAL A 40 82.894 -4.188 1.160 1.00 0.00 C ATOM 152 CG1 VAL A 40 83.892 -4.041 2.312 1.00 0.00 C ATOM 153 CG2 VAL A 40 81.573 -3.523 1.548 1.00 0.00 C ATOM 0 H VAL A 40 84.972 -5.006 0.036 1.00 0.00 H new ATOM 0 HA VAL A 40 82.678 -3.270 -0.831 1.00 0.00 H new ATOM 0 HB VAL A 40 82.730 -5.247 0.960 1.00 0.00 H new ATOM 0 HG11 VAL A 40 83.490 -4.519 3.205 1.00 0.00 H new ATOM 0 HG12 VAL A 40 84.835 -4.516 2.040 1.00 0.00 H new ATOM 0 HG13 VAL A 40 84.063 -2.983 2.513 1.00 0.00 H new ATOM 0 HG21 VAL A 40 81.177 -3.998 2.446 1.00 0.00 H new ATOM 0 HG22 VAL A 40 81.742 -2.464 1.742 1.00 0.00 H new ATOM 0 HG23 VAL A 40 80.857 -3.633 0.733 1.00 0.00 H new ATOM 163 N ARG A 41 83.424 -1.106 0.017 1.00 0.00 N ATOM 164 CA ARG A 41 83.962 0.243 0.365 1.00 0.00 C ATOM 165 C ARG A 41 83.005 0.873 1.381 1.00 0.00 C ATOM 166 O ARG A 41 81.822 0.602 1.358 1.00 0.00 O ATOM 167 CB ARG A 41 83.995 1.073 -0.935 1.00 0.00 C ATOM 168 CG ARG A 41 83.538 0.240 -2.143 1.00 0.00 C ATOM 169 CD ARG A 41 84.532 -0.896 -2.391 1.00 0.00 C ATOM 170 NE ARG A 41 85.366 -0.434 -3.536 1.00 0.00 N ATOM 171 CZ ARG A 41 85.424 -1.144 -4.629 1.00 0.00 C ATOM 172 NH1 ARG A 41 86.259 -2.143 -4.714 1.00 0.00 N ATOM 173 NH2 ARG A 41 84.647 -0.855 -5.636 1.00 0.00 N ATOM 0 H ARG A 41 82.496 -1.099 -0.407 1.00 0.00 H new ATOM 0 HA ARG A 41 84.963 0.195 0.793 1.00 0.00 H new ATOM 0 HB2 ARG A 41 83.351 1.946 -0.828 1.00 0.00 H new ATOM 0 HB3 ARG A 41 85.006 1.442 -1.107 1.00 0.00 H new ATOM 0 HG2 ARG A 41 82.543 -0.167 -1.961 1.00 0.00 H new ATOM 0 HG3 ARG A 41 83.466 0.873 -3.027 1.00 0.00 H new ATOM 0 HD2 ARG A 41 85.143 -1.086 -1.509 1.00 0.00 H new ATOM 0 HD3 ARG A 41 84.017 -1.827 -2.628 1.00 0.00 H new ATOM 0 HE ARG A 41 85.892 0.437 -3.465 1.00 0.00 H new ATOM 0 HH11 ARG A 41 86.866 -2.369 -3.926 1.00 0.00 H new ATOM 0 HH12 ARG A 41 86.305 -2.698 -5.568 1.00 0.00 H new ATOM 0 HH21 ARG A 41 83.994 -0.074 -5.569 1.00 0.00 H new ATOM 0 HH22 ARG A 41 84.692 -1.410 -6.491 1.00 0.00 H new ATOM 187 N HIS A 42 83.484 1.680 2.291 1.00 0.00 N ATOM 188 CA HIS A 42 82.544 2.255 3.298 1.00 0.00 C ATOM 189 C HIS A 42 82.605 3.787 3.364 1.00 0.00 C ATOM 190 O HIS A 42 83.633 4.376 3.634 1.00 0.00 O ATOM 191 CB HIS A 42 82.972 1.643 4.633 1.00 0.00 C ATOM 192 CG HIS A 42 84.151 2.394 5.200 1.00 0.00 C ATOM 193 ND1 HIS A 42 84.171 2.856 6.505 1.00 0.00 N ATOM 194 CD2 HIS A 42 85.354 2.764 4.653 1.00 0.00 C ATOM 195 CE1 HIS A 42 85.352 3.471 6.700 1.00 0.00 C ATOM 196 NE2 HIS A 42 86.111 3.444 5.602 1.00 0.00 N ATOM 0 H HIS A 42 84.460 1.961 2.381 1.00 0.00 H new ATOM 0 HA HIS A 42 81.512 2.023 3.036 1.00 0.00 H new ATOM 0 HB2 HIS A 42 82.141 1.673 5.337 1.00 0.00 H new ATOM 0 HB3 HIS A 42 83.234 0.594 4.493 1.00 0.00 H new ATOM 0 HD1 HIS A 42 83.426 2.750 7.194 1.00 0.00 H new ATOM 0 HD2 HIS A 42 85.666 2.559 3.640 1.00 0.00 H new ATOM 0 HE1 HIS A 42 85.649 3.930 7.631 1.00 0.00 H new ATOM 204 N ILE A 43 81.487 4.422 3.142 1.00 0.00 N ATOM 205 CA ILE A 43 81.427 5.917 3.213 1.00 0.00 C ATOM 206 C ILE A 43 80.424 6.336 4.307 1.00 0.00 C ATOM 207 O ILE A 43 79.430 5.672 4.508 1.00 0.00 O ATOM 208 CB ILE A 43 80.954 6.342 1.812 1.00 0.00 C ATOM 209 CG1 ILE A 43 82.176 6.592 0.927 1.00 0.00 C ATOM 210 CG2 ILE A 43 80.106 7.620 1.877 1.00 0.00 C ATOM 211 CD1 ILE A 43 81.757 6.554 -0.544 1.00 0.00 C ATOM 0 H ILE A 43 80.603 3.969 2.912 1.00 0.00 H new ATOM 0 HA ILE A 43 82.378 6.383 3.471 1.00 0.00 H new ATOM 0 HB ILE A 43 80.339 5.543 1.397 1.00 0.00 H new ATOM 0 HG12 ILE A 43 82.619 7.559 1.165 1.00 0.00 H new ATOM 0 HG13 ILE A 43 82.938 5.836 1.119 1.00 0.00 H new ATOM 0 HG21 ILE A 43 79.786 7.896 0.872 1.00 0.00 H new ATOM 0 HG22 ILE A 43 79.230 7.444 2.501 1.00 0.00 H new ATOM 0 HG23 ILE A 43 80.699 8.429 2.304 1.00 0.00 H new ATOM 0 HD11 ILE A 43 82.628 6.732 -1.175 1.00 0.00 H new ATOM 0 HD12 ILE A 43 81.334 5.577 -0.777 1.00 0.00 H new ATOM 0 HD13 ILE A 43 81.010 7.326 -0.730 1.00 0.00 H new ATOM 223 N LEU A 44 80.654 7.423 5.025 1.00 0.00 N ATOM 224 CA LEU A 44 79.654 7.797 6.087 1.00 0.00 C ATOM 225 C LEU A 44 79.338 9.287 6.072 1.00 0.00 C ATOM 226 O LEU A 44 80.157 10.113 5.756 1.00 0.00 O ATOM 227 CB LEU A 44 80.303 7.476 7.429 1.00 0.00 C ATOM 228 CG LEU A 44 80.954 6.113 7.392 1.00 0.00 C ATOM 229 CD1 LEU A 44 81.459 5.778 8.793 1.00 0.00 C ATOM 230 CD2 LEU A 44 79.918 5.083 6.977 1.00 0.00 C ATOM 0 H LEU A 44 81.458 8.043 4.927 1.00 0.00 H new ATOM 0 HA LEU A 44 78.727 7.251 5.914 1.00 0.00 H new ATOM 0 HB2 LEU A 44 81.048 8.234 7.670 1.00 0.00 H new ATOM 0 HB3 LEU A 44 79.552 7.505 8.219 1.00 0.00 H new ATOM 0 HG LEU A 44 81.782 6.108 6.684 1.00 0.00 H new ATOM 0 HD11 LEU A 44 81.932 4.796 8.784 1.00 0.00 H new ATOM 0 HD12 LEU A 44 82.185 6.528 9.107 1.00 0.00 H new ATOM 0 HD13 LEU A 44 80.621 5.770 9.490 1.00 0.00 H new ATOM 0 HD21 LEU A 44 80.378 4.095 6.947 1.00 0.00 H new ATOM 0 HD22 LEU A 44 79.099 5.080 7.697 1.00 0.00 H new ATOM 0 HD23 LEU A 44 79.532 5.333 5.989 1.00 0.00 H new ATOM 242 N CYS A 45 78.160 9.639 6.459 1.00 0.00 N ATOM 243 CA CYS A 45 77.806 11.084 6.495 1.00 0.00 C ATOM 244 C CYS A 45 77.504 11.526 7.927 1.00 0.00 C ATOM 245 O CYS A 45 77.444 12.703 8.221 1.00 0.00 O ATOM 246 CB CYS A 45 76.567 11.206 5.616 1.00 0.00 C ATOM 247 SG CYS A 45 76.997 10.741 3.926 1.00 0.00 S ATOM 0 H CYS A 45 77.423 8.998 6.753 1.00 0.00 H new ATOM 0 HA CYS A 45 78.619 11.718 6.142 1.00 0.00 H new ATOM 0 HB2 CYS A 45 75.773 10.562 5.993 1.00 0.00 H new ATOM 0 HB3 CYS A 45 76.187 12.227 5.640 1.00 0.00 H new ATOM 0 HG CYS A 45 78.127 11.294 3.598 1.00 0.00 H new ATOM 253 N GLU A 46 77.299 10.596 8.821 1.00 0.00 N ATOM 254 CA GLU A 46 76.980 10.966 10.232 1.00 0.00 C ATOM 255 C GLU A 46 75.589 11.593 10.266 1.00 0.00 C ATOM 256 O GLU A 46 74.685 11.107 10.916 1.00 0.00 O ATOM 257 CB GLU A 46 78.050 11.982 10.637 1.00 0.00 C ATOM 258 CG GLU A 46 78.548 11.665 12.049 1.00 0.00 C ATOM 259 CD GLU A 46 78.773 12.969 12.815 1.00 0.00 C ATOM 260 OE1 GLU A 46 77.828 13.729 12.944 1.00 0.00 O ATOM 261 OE2 GLU A 46 79.888 13.186 13.263 1.00 0.00 O ATOM 0 H GLU A 46 77.339 9.594 8.635 1.00 0.00 H new ATOM 0 HA GLU A 46 76.978 10.113 10.911 1.00 0.00 H new ATOM 0 HB2 GLU A 46 78.881 11.952 9.932 1.00 0.00 H new ATOM 0 HB3 GLU A 46 77.640 12.991 10.603 1.00 0.00 H new ATOM 0 HG2 GLU A 46 77.820 11.044 12.572 1.00 0.00 H new ATOM 0 HG3 GLU A 46 79.476 11.095 12.000 1.00 0.00 H new ATOM 268 N LYS A 47 75.410 12.653 9.533 1.00 0.00 N ATOM 269 CA LYS A 47 74.079 13.308 9.468 1.00 0.00 C ATOM 270 C LYS A 47 73.283 12.677 8.324 1.00 0.00 C ATOM 271 O LYS A 47 72.082 12.835 8.221 1.00 0.00 O ATOM 272 CB LYS A 47 74.373 14.779 9.176 1.00 0.00 C ATOM 273 CG LYS A 47 75.339 15.323 10.231 1.00 0.00 C ATOM 274 CD LYS A 47 75.469 16.838 10.068 1.00 0.00 C ATOM 275 CE LYS A 47 76.932 17.200 9.802 1.00 0.00 C ATOM 276 NZ LYS A 47 77.478 17.587 11.134 1.00 0.00 N ATOM 0 H LYS A 47 76.136 13.097 8.971 1.00 0.00 H new ATOM 0 HA LYS A 47 73.498 13.197 10.383 1.00 0.00 H new ATOM 0 HB2 LYS A 47 74.806 14.884 8.181 1.00 0.00 H new ATOM 0 HB3 LYS A 47 73.447 15.355 9.183 1.00 0.00 H new ATOM 0 HG2 LYS A 47 74.976 15.084 11.230 1.00 0.00 H new ATOM 0 HG3 LYS A 47 76.315 14.850 10.125 1.00 0.00 H new ATOM 0 HD2 LYS A 47 74.843 17.181 9.244 1.00 0.00 H new ATOM 0 HD3 LYS A 47 75.116 17.343 10.967 1.00 0.00 H new ATOM 0 HE2 LYS A 47 77.478 16.356 9.381 1.00 0.00 H new ATOM 0 HE3 LYS A 47 77.013 18.020 9.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 78.479 17.850 11.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 76.943 18.397 11.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 77.393 16.785 11.790 1.00 0.00 H new ATOM 290 N HIS A 48 73.957 11.946 7.472 1.00 0.00 N ATOM 291 CA HIS A 48 73.266 11.277 6.339 1.00 0.00 C ATOM 292 C HIS A 48 72.588 12.304 5.433 1.00 0.00 C ATOM 293 O HIS A 48 71.750 11.974 4.616 1.00 0.00 O ATOM 294 CB HIS A 48 72.257 10.361 7.010 1.00 0.00 C ATOM 295 CG HIS A 48 72.984 9.533 8.035 1.00 0.00 C ATOM 296 ND1 HIS A 48 74.370 9.492 8.100 1.00 0.00 N ATOM 297 CD2 HIS A 48 72.541 8.722 9.046 1.00 0.00 C ATOM 298 CE1 HIS A 48 74.710 8.683 9.119 1.00 0.00 C ATOM 299 NE2 HIS A 48 73.631 8.188 9.733 1.00 0.00 N ATOM 0 H HIS A 48 74.963 11.786 7.517 1.00 0.00 H new ATOM 0 HA HIS A 48 73.948 10.726 5.691 1.00 0.00 H new ATOM 0 HB2 HIS A 48 71.468 10.946 7.483 1.00 0.00 H new ATOM 0 HB3 HIS A 48 71.778 9.718 6.272 1.00 0.00 H new ATOM 0 HD2 HIS A 48 71.504 8.526 9.276 1.00 0.00 H new ATOM 0 HE1 HIS A 48 75.727 8.461 9.405 1.00 0.00 H new ATOM 0 HE2 HIS A 48 73.609 7.555 10.533 1.00 0.00 H new ATOM 307 N GLY A 49 72.960 13.546 5.559 1.00 0.00 N ATOM 308 CA GLY A 49 72.359 14.596 4.692 1.00 0.00 C ATOM 309 C GLY A 49 72.932 14.449 3.280 1.00 0.00 C ATOM 310 O GLY A 49 72.206 14.381 2.308 1.00 0.00 O ATOM 0 H GLY A 49 73.656 13.880 6.226 1.00 0.00 H new ATOM 0 HA2 GLY A 49 71.274 14.495 4.672 1.00 0.00 H new ATOM 0 HA3 GLY A 49 72.580 15.587 5.089 1.00 0.00 H new ATOM 314 N LYS A 50 74.232 14.385 3.164 1.00 0.00 N ATOM 315 CA LYS A 50 74.857 14.224 1.819 1.00 0.00 C ATOM 316 C LYS A 50 74.953 12.749 1.466 1.00 0.00 C ATOM 317 O LYS A 50 75.304 12.398 0.362 1.00 0.00 O ATOM 318 CB LYS A 50 76.245 14.859 1.931 1.00 0.00 C ATOM 319 CG LYS A 50 77.130 14.023 2.855 1.00 0.00 C ATOM 320 CD LYS A 50 77.114 14.627 4.261 1.00 0.00 C ATOM 321 CE LYS A 50 78.511 15.149 4.609 1.00 0.00 C ATOM 322 NZ LYS A 50 79.277 13.944 5.035 1.00 0.00 N ATOM 0 H LYS A 50 74.888 14.437 3.943 1.00 0.00 H new ATOM 0 HA LYS A 50 74.272 14.699 1.031 1.00 0.00 H new ATOM 0 HB2 LYS A 50 76.702 14.931 0.944 1.00 0.00 H new ATOM 0 HB3 LYS A 50 76.159 15.875 2.317 1.00 0.00 H new ATOM 0 HG2 LYS A 50 76.772 12.994 2.886 1.00 0.00 H new ATOM 0 HG3 LYS A 50 78.150 13.995 2.471 1.00 0.00 H new ATOM 0 HD2 LYS A 50 76.388 15.439 4.311 1.00 0.00 H new ATOM 0 HD3 LYS A 50 76.803 13.876 4.987 1.00 0.00 H new ATOM 0 HE2 LYS A 50 78.978 15.630 3.750 1.00 0.00 H new ATOM 0 HE3 LYS A 50 78.468 15.892 5.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 80.274 14.052 4.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 79.212 13.838 6.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 78.880 13.100 4.575 1.00 0.00 H new ATOM 336 N ILE A 51 74.616 11.875 2.373 1.00 0.00 N ATOM 337 CA ILE A 51 74.669 10.432 2.027 1.00 0.00 C ATOM 338 C ILE A 51 73.957 10.248 0.694 1.00 0.00 C ATOM 339 O ILE A 51 74.337 9.430 -0.117 1.00 0.00 O ATOM 340 CB ILE A 51 73.949 9.706 3.161 1.00 0.00 C ATOM 341 CG1 ILE A 51 74.171 8.202 3.017 1.00 0.00 C ATOM 342 CG2 ILE A 51 72.451 10.010 3.109 1.00 0.00 C ATOM 343 CD1 ILE A 51 75.509 7.821 3.656 1.00 0.00 C ATOM 0 H ILE A 51 74.312 12.094 3.322 1.00 0.00 H new ATOM 0 HA ILE A 51 75.682 10.042 1.923 1.00 0.00 H new ATOM 0 HB ILE A 51 74.347 10.047 4.117 1.00 0.00 H new ATOM 0 HG12 ILE A 51 73.358 7.656 3.496 1.00 0.00 H new ATOM 0 HG13 ILE A 51 74.166 7.922 1.964 1.00 0.00 H new ATOM 0 HG21 ILE A 51 71.945 9.488 3.921 1.00 0.00 H new ATOM 0 HG22 ILE A 51 72.294 11.083 3.214 1.00 0.00 H new ATOM 0 HG23 ILE A 51 72.045 9.675 2.154 1.00 0.00 H new ATOM 0 HD11 ILE A 51 75.668 6.748 3.554 1.00 0.00 H new ATOM 0 HD12 ILE A 51 76.316 8.357 3.157 1.00 0.00 H new ATOM 0 HD13 ILE A 51 75.496 8.087 4.713 1.00 0.00 H new ATOM 355 N MET A 52 72.956 11.052 0.443 1.00 0.00 N ATOM 356 CA MET A 52 72.250 10.970 -0.859 1.00 0.00 C ATOM 357 C MET A 52 73.029 11.809 -1.871 1.00 0.00 C ATOM 358 O MET A 52 73.160 11.451 -3.023 1.00 0.00 O ATOM 359 CB MET A 52 70.824 11.491 -0.595 1.00 0.00 C ATOM 360 CG MET A 52 70.681 12.941 -1.050 1.00 0.00 C ATOM 361 SD MET A 52 70.172 12.982 -2.787 1.00 0.00 S ATOM 362 CE MET A 52 71.614 13.873 -3.416 1.00 0.00 C ATOM 0 H MET A 52 72.601 11.760 1.086 1.00 0.00 H new ATOM 0 HA MET A 52 72.186 9.963 -1.272 1.00 0.00 H new ATOM 0 HB2 MET A 52 70.101 10.867 -1.122 1.00 0.00 H new ATOM 0 HB3 MET A 52 70.596 11.415 0.468 1.00 0.00 H new ATOM 0 HG2 MET A 52 69.945 13.456 -0.432 1.00 0.00 H new ATOM 0 HG3 MET A 52 71.627 13.468 -0.925 1.00 0.00 H new ATOM 0 HE1 MET A 52 71.308 14.533 -4.227 1.00 0.00 H new ATOM 0 HE2 MET A 52 72.055 14.464 -2.613 1.00 0.00 H new ATOM 0 HE3 MET A 52 72.349 13.159 -3.787 1.00 0.00 H new ATOM 372 N GLU A 53 73.613 12.885 -1.424 1.00 0.00 N ATOM 373 CA GLU A 53 74.447 13.690 -2.321 1.00 0.00 C ATOM 374 C GLU A 53 75.570 12.777 -2.752 1.00 0.00 C ATOM 375 O GLU A 53 76.076 12.848 -3.849 1.00 0.00 O ATOM 376 CB GLU A 53 74.957 14.834 -1.454 1.00 0.00 C ATOM 377 CG GLU A 53 75.298 16.009 -2.350 1.00 0.00 C ATOM 378 CD GLU A 53 74.436 17.213 -1.964 1.00 0.00 C ATOM 379 OE1 GLU A 53 74.805 17.906 -1.029 1.00 0.00 O ATOM 380 OE2 GLU A 53 73.422 17.423 -2.608 1.00 0.00 O ATOM 0 H GLU A 53 73.540 13.233 -0.468 1.00 0.00 H new ATOM 0 HA GLU A 53 73.945 14.087 -3.203 1.00 0.00 H new ATOM 0 HB2 GLU A 53 74.200 15.122 -0.725 1.00 0.00 H new ATOM 0 HB3 GLU A 53 75.837 14.519 -0.892 1.00 0.00 H new ATOM 0 HG2 GLU A 53 76.355 16.259 -2.253 1.00 0.00 H new ATOM 0 HG3 GLU A 53 75.127 15.746 -3.394 1.00 0.00 H new ATOM 387 N ALA A 54 75.910 11.867 -1.881 1.00 0.00 N ATOM 388 CA ALA A 54 76.957 10.874 -2.215 1.00 0.00 C ATOM 389 C ALA A 54 76.328 9.871 -3.172 1.00 0.00 C ATOM 390 O ALA A 54 76.953 9.384 -4.093 1.00 0.00 O ATOM 391 CB ALA A 54 77.328 10.209 -0.889 1.00 0.00 C ATOM 0 H ALA A 54 75.503 11.772 -0.950 1.00 0.00 H new ATOM 0 HA ALA A 54 77.843 11.302 -2.684 1.00 0.00 H new ATOM 0 HB1 ALA A 54 78.101 9.460 -1.061 1.00 0.00 H new ATOM 0 HB2 ALA A 54 77.701 10.963 -0.196 1.00 0.00 H new ATOM 0 HB3 ALA A 54 76.447 9.730 -0.463 1.00 0.00 H new ATOM 397 N MET A 55 75.068 9.586 -2.966 1.00 0.00 N ATOM 398 CA MET A 55 74.362 8.643 -3.876 1.00 0.00 C ATOM 399 C MET A 55 74.275 9.262 -5.271 1.00 0.00 C ATOM 400 O MET A 55 74.777 8.725 -6.240 1.00 0.00 O ATOM 401 CB MET A 55 72.955 8.490 -3.294 1.00 0.00 C ATOM 402 CG MET A 55 73.009 7.719 -1.978 1.00 0.00 C ATOM 403 SD MET A 55 71.653 6.519 -1.938 1.00 0.00 S ATOM 404 CE MET A 55 71.424 6.491 -0.143 1.00 0.00 C ATOM 0 H MET A 55 74.501 9.966 -2.208 1.00 0.00 H new ATOM 0 HA MET A 55 74.875 7.685 -3.957 1.00 0.00 H new ATOM 0 HB2 MET A 55 72.513 9.473 -3.130 1.00 0.00 H new ATOM 0 HB3 MET A 55 72.315 7.967 -4.004 1.00 0.00 H new ATOM 0 HG2 MET A 55 73.967 7.208 -1.881 1.00 0.00 H new ATOM 0 HG3 MET A 55 72.928 8.406 -1.136 1.00 0.00 H new ATOM 0 HE1 MET A 55 70.978 5.541 0.152 1.00 0.00 H new ATOM 0 HE2 MET A 55 72.390 6.607 0.349 1.00 0.00 H new ATOM 0 HE3 MET A 55 70.766 7.308 0.153 1.00 0.00 H new ATOM 414 N GLU A 56 73.638 10.399 -5.373 1.00 0.00 N ATOM 415 CA GLU A 56 73.509 11.071 -6.697 1.00 0.00 C ATOM 416 C GLU A 56 74.890 11.371 -7.277 1.00 0.00 C ATOM 417 O GLU A 56 75.196 10.977 -8.384 1.00 0.00 O ATOM 418 CB GLU A 56 72.755 12.370 -6.416 1.00 0.00 C ATOM 419 CG GLU A 56 71.252 12.092 -6.380 1.00 0.00 C ATOM 420 CD GLU A 56 70.491 13.383 -6.682 1.00 0.00 C ATOM 421 OE1 GLU A 56 71.140 14.374 -6.974 1.00 0.00 O ATOM 422 OE2 GLU A 56 69.274 13.360 -6.617 1.00 0.00 O ATOM 0 H GLU A 56 73.201 10.891 -4.594 1.00 0.00 H new ATOM 0 HA GLU A 56 72.988 10.447 -7.423 1.00 0.00 H new ATOM 0 HB2 GLU A 56 73.080 12.793 -5.465 1.00 0.00 H new ATOM 0 HB3 GLU A 56 72.981 13.107 -7.186 1.00 0.00 H new ATOM 0 HG2 GLU A 56 70.995 11.325 -7.111 1.00 0.00 H new ATOM 0 HG3 GLU A 56 70.965 11.708 -5.401 1.00 0.00 H new ATOM 429 N LYS A 57 75.728 12.067 -6.545 1.00 0.00 N ATOM 430 CA LYS A 57 77.088 12.381 -7.076 1.00 0.00 C ATOM 431 C LYS A 57 77.646 11.145 -7.778 1.00 0.00 C ATOM 432 O LYS A 57 77.690 11.082 -8.991 1.00 0.00 O ATOM 433 CB LYS A 57 77.942 12.734 -5.855 1.00 0.00 C ATOM 434 CG LYS A 57 77.797 14.225 -5.525 1.00 0.00 C ATOM 435 CD LYS A 57 79.188 14.863 -5.448 1.00 0.00 C ATOM 436 CE LYS A 57 79.188 16.210 -6.177 1.00 0.00 C ATOM 437 NZ LYS A 57 79.082 17.231 -5.099 1.00 0.00 N ATOM 0 H LYS A 57 75.529 12.427 -5.612 1.00 0.00 H new ATOM 0 HA LYS A 57 77.075 13.200 -7.795 1.00 0.00 H new ATOM 0 HB2 LYS A 57 77.634 12.132 -5.000 1.00 0.00 H new ATOM 0 HB3 LYS A 57 78.988 12.497 -6.052 1.00 0.00 H new ATOM 0 HG2 LYS A 57 77.198 14.722 -6.288 1.00 0.00 H new ATOM 0 HG3 LYS A 57 77.274 14.350 -4.577 1.00 0.00 H new ATOM 0 HD2 LYS A 57 79.475 15.004 -4.406 1.00 0.00 H new ATOM 0 HD3 LYS A 57 79.927 14.198 -5.895 1.00 0.00 H new ATOM 0 HE2 LYS A 57 80.100 16.344 -6.759 1.00 0.00 H new ATOM 0 HE3 LYS A 57 78.352 16.282 -6.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 78.229 17.807 -5.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 79.022 16.756 -4.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 79.921 17.845 -5.118 1.00 0.00 H new ATOM 451 N LEU A 58 78.057 10.163 -7.017 1.00 0.00 N ATOM 452 CA LEU A 58 78.596 8.906 -7.614 1.00 0.00 C ATOM 453 C LEU A 58 77.876 8.583 -8.930 1.00 0.00 C ATOM 454 O LEU A 58 78.457 8.044 -9.851 1.00 0.00 O ATOM 455 CB LEU A 58 78.293 7.831 -6.570 1.00 0.00 C ATOM 456 CG LEU A 58 79.546 7.554 -5.742 1.00 0.00 C ATOM 457 CD1 LEU A 58 79.628 8.545 -4.582 1.00 0.00 C ATOM 458 CD2 LEU A 58 79.485 6.127 -5.188 1.00 0.00 C ATOM 0 H LEU A 58 78.042 10.180 -5.997 1.00 0.00 H new ATOM 0 HA LEU A 58 79.658 8.980 -7.847 1.00 0.00 H new ATOM 0 HB2 LEU A 58 77.481 8.159 -5.921 1.00 0.00 H new ATOM 0 HB3 LEU A 58 77.960 6.917 -7.061 1.00 0.00 H new ATOM 0 HG LEU A 58 80.427 7.665 -6.374 1.00 0.00 H new ATOM 0 HD11 LEU A 58 80.523 8.344 -3.994 1.00 0.00 H new ATOM 0 HD12 LEU A 58 79.672 9.561 -4.974 1.00 0.00 H new ATOM 0 HD13 LEU A 58 78.747 8.438 -3.949 1.00 0.00 H new ATOM 0 HD21 LEU A 58 80.379 5.928 -4.597 1.00 0.00 H new ATOM 0 HD22 LEU A 58 78.602 6.019 -4.558 1.00 0.00 H new ATOM 0 HD23 LEU A 58 79.431 5.418 -6.014 1.00 0.00 H new ATOM 470 N LYS A 59 76.613 8.912 -9.026 1.00 0.00 N ATOM 471 CA LYS A 59 75.860 8.626 -10.283 1.00 0.00 C ATOM 472 C LYS A 59 75.971 9.806 -11.257 1.00 0.00 C ATOM 473 O LYS A 59 76.456 9.663 -12.363 1.00 0.00 O ATOM 474 CB LYS A 59 74.407 8.435 -9.840 1.00 0.00 C ATOM 475 CG LYS A 59 74.219 7.008 -9.318 1.00 0.00 C ATOM 476 CD LYS A 59 72.859 6.469 -9.769 1.00 0.00 C ATOM 477 CE LYS A 59 71.761 7.464 -9.393 1.00 0.00 C ATOM 478 NZ LYS A 59 70.497 6.836 -9.873 1.00 0.00 N ATOM 0 H LYS A 59 76.072 9.365 -8.290 1.00 0.00 H new ATOM 0 HA LYS A 59 76.250 7.751 -10.803 1.00 0.00 H new ATOM 0 HB2 LYS A 59 74.155 9.155 -9.062 1.00 0.00 H new ATOM 0 HB3 LYS A 59 73.733 8.620 -10.676 1.00 0.00 H new ATOM 0 HG2 LYS A 59 75.017 6.366 -9.691 1.00 0.00 H new ATOM 0 HG3 LYS A 59 74.283 6.997 -8.230 1.00 0.00 H new ATOM 0 HD2 LYS A 59 72.861 6.305 -10.847 1.00 0.00 H new ATOM 0 HD3 LYS A 59 72.665 5.504 -9.300 1.00 0.00 H new ATOM 0 HE2 LYS A 59 71.734 7.635 -8.317 1.00 0.00 H new ATOM 0 HE3 LYS A 59 71.926 8.432 -9.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 69.694 7.459 -9.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 70.550 6.691 -10.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 70.364 5.919 -9.401 1.00 0.00 H new ATOM 492 N SER A 60 75.520 10.965 -10.858 1.00 0.00 N ATOM 493 CA SER A 60 75.592 12.153 -11.763 1.00 0.00 C ATOM 494 C SER A 60 76.928 12.182 -12.509 1.00 0.00 C ATOM 495 O SER A 60 77.015 12.646 -13.629 1.00 0.00 O ATOM 496 CB SER A 60 75.471 13.369 -10.846 1.00 0.00 C ATOM 497 OG SER A 60 74.966 12.963 -9.586 1.00 0.00 O ATOM 0 H SER A 60 75.104 11.142 -9.944 1.00 0.00 H new ATOM 0 HA SER A 60 74.807 12.132 -12.519 1.00 0.00 H new ATOM 0 HB2 SER A 60 76.445 13.844 -10.724 1.00 0.00 H new ATOM 0 HB3 SER A 60 74.809 14.110 -11.293 1.00 0.00 H new ATOM 0 HG SER A 60 75.614 12.371 -9.149 1.00 0.00 H new ATOM 503 N GLY A 61 77.970 11.691 -11.898 1.00 0.00 N ATOM 504 CA GLY A 61 79.294 11.693 -12.577 1.00 0.00 C ATOM 505 C GLY A 61 80.314 12.448 -11.723 1.00 0.00 C ATOM 506 O GLY A 61 81.447 12.634 -12.119 1.00 0.00 O ATOM 0 H GLY A 61 77.962 11.290 -10.960 1.00 0.00 H new ATOM 0 HA2 GLY A 61 79.630 10.669 -12.741 1.00 0.00 H new ATOM 0 HA3 GLY A 61 79.209 12.162 -13.558 1.00 0.00 H new ATOM 510 N MET A 62 79.928 12.881 -10.552 1.00 0.00 N ATOM 511 CA MET A 62 80.890 13.616 -9.686 1.00 0.00 C ATOM 512 C MET A 62 82.087 12.727 -9.374 1.00 0.00 C ATOM 513 O MET A 62 82.511 11.921 -10.178 1.00 0.00 O ATOM 514 CB MET A 62 80.141 13.911 -8.386 1.00 0.00 C ATOM 515 CG MET A 62 78.749 14.447 -8.681 1.00 0.00 C ATOM 516 SD MET A 62 78.858 15.908 -9.728 1.00 0.00 S ATOM 517 CE MET A 62 77.176 16.461 -9.394 1.00 0.00 C ATOM 0 H MET A 62 78.994 12.758 -10.161 1.00 0.00 H new ATOM 0 HA MET A 62 81.249 14.523 -10.171 1.00 0.00 H new ATOM 0 HB2 MET A 62 80.068 13.003 -7.788 1.00 0.00 H new ATOM 0 HB3 MET A 62 80.699 14.638 -7.795 1.00 0.00 H new ATOM 0 HG2 MET A 62 78.152 13.680 -9.175 1.00 0.00 H new ATOM 0 HG3 MET A 62 78.241 14.695 -7.749 1.00 0.00 H new ATOM 0 HE1 MET A 62 76.723 16.824 -10.316 1.00 0.00 H new ATOM 0 HE2 MET A 62 76.590 15.629 -9.005 1.00 0.00 H new ATOM 0 HE3 MET A 62 77.197 17.265 -8.659 1.00 0.00 H new ATOM 527 N ARG A 63 82.620 12.860 -8.197 1.00 0.00 N ATOM 528 CA ARG A 63 83.770 12.025 -7.803 1.00 0.00 C ATOM 529 C ARG A 63 83.297 10.880 -6.931 1.00 0.00 C ATOM 530 O ARG A 63 82.411 11.036 -6.114 1.00 0.00 O ATOM 531 CB ARG A 63 84.638 12.938 -6.963 1.00 0.00 C ATOM 532 CG ARG A 63 85.088 14.133 -7.782 1.00 0.00 C ATOM 533 CD ARG A 63 84.572 15.414 -7.113 1.00 0.00 C ATOM 534 NE ARG A 63 85.509 16.487 -7.554 1.00 0.00 N ATOM 535 CZ ARG A 63 85.289 17.726 -7.208 1.00 0.00 C ATOM 536 NH1 ARG A 63 84.559 17.990 -6.159 1.00 0.00 N ATOM 537 NH2 ARG A 63 85.799 18.701 -7.910 1.00 0.00 N ATOM 0 H ARG A 63 82.301 13.520 -7.487 1.00 0.00 H new ATOM 0 HA ARG A 63 84.289 11.611 -8.667 1.00 0.00 H new ATOM 0 HB2 ARG A 63 84.083 13.276 -6.088 1.00 0.00 H new ATOM 0 HB3 ARG A 63 85.507 12.391 -6.597 1.00 0.00 H new ATOM 0 HG2 ARG A 63 86.176 14.155 -7.851 1.00 0.00 H new ATOM 0 HG3 ARG A 63 84.705 14.058 -8.800 1.00 0.00 H new ATOM 0 HD2 ARG A 63 83.549 15.634 -7.419 1.00 0.00 H new ATOM 0 HD3 ARG A 63 84.567 15.317 -6.027 1.00 0.00 H new ATOM 0 HE ARG A 63 86.321 16.253 -8.125 1.00 0.00 H new ATOM 0 HH11 ARG A 63 84.161 17.228 -5.610 1.00 0.00 H new ATOM 0 HH12 ARG A 63 84.387 18.958 -5.888 1.00 0.00 H new ATOM 0 HH21 ARG A 63 86.370 18.495 -8.730 1.00 0.00 H new ATOM 0 HH22 ARG A 63 85.627 19.669 -7.639 1.00 0.00 H new ATOM 551 N PHE A 64 83.897 9.745 -7.057 1.00 0.00 N ATOM 552 CA PHE A 64 83.496 8.626 -6.188 1.00 0.00 C ATOM 553 C PHE A 64 84.349 8.680 -4.928 1.00 0.00 C ATOM 554 O PHE A 64 83.883 8.413 -3.842 1.00 0.00 O ATOM 555 CB PHE A 64 83.797 7.360 -6.992 1.00 0.00 C ATOM 556 CG PHE A 64 82.544 6.887 -7.687 1.00 0.00 C ATOM 557 CD1 PHE A 64 82.183 7.430 -8.926 1.00 0.00 C ATOM 558 CD2 PHE A 64 81.747 5.902 -7.094 1.00 0.00 C ATOM 559 CE1 PHE A 64 81.020 6.988 -9.570 1.00 0.00 C ATOM 560 CE2 PHE A 64 80.586 5.461 -7.738 1.00 0.00 C ATOM 561 CZ PHE A 64 80.222 6.004 -8.976 1.00 0.00 C ATOM 0 H PHE A 64 84.645 9.543 -7.721 1.00 0.00 H new ATOM 0 HA PHE A 64 82.447 8.659 -5.894 1.00 0.00 H new ATOM 0 HB2 PHE A 64 84.577 7.561 -7.726 1.00 0.00 H new ATOM 0 HB3 PHE A 64 84.174 6.579 -6.331 1.00 0.00 H new ATOM 0 HD1 PHE A 64 82.800 8.188 -9.385 1.00 0.00 H new ATOM 0 HD2 PHE A 64 82.028 5.482 -6.139 1.00 0.00 H new ATOM 0 HE1 PHE A 64 80.739 7.407 -10.525 1.00 0.00 H new ATOM 0 HE2 PHE A 64 79.970 4.701 -7.280 1.00 0.00 H new ATOM 0 HZ PHE A 64 79.325 5.663 -9.472 1.00 0.00 H new ATOM 571 N ASN A 65 85.602 9.033 -5.072 1.00 0.00 N ATOM 572 CA ASN A 65 86.493 9.102 -3.879 1.00 0.00 C ATOM 573 C ASN A 65 86.491 10.497 -3.236 1.00 0.00 C ATOM 574 O ASN A 65 86.537 10.623 -2.029 1.00 0.00 O ATOM 575 CB ASN A 65 87.879 8.725 -4.384 1.00 0.00 C ATOM 576 CG ASN A 65 88.446 9.863 -5.232 1.00 0.00 C ATOM 577 OD1 ASN A 65 88.731 10.931 -4.727 1.00 0.00 O ATOM 578 ND2 ASN A 65 88.623 9.676 -6.511 1.00 0.00 N ATOM 0 H ASN A 65 86.042 9.275 -5.960 1.00 0.00 H new ATOM 0 HA ASN A 65 86.151 8.427 -3.095 1.00 0.00 H new ATOM 0 HB2 ASN A 65 88.541 8.522 -3.542 1.00 0.00 H new ATOM 0 HB3 ASN A 65 87.825 7.811 -4.975 1.00 0.00 H new ATOM 0 HD21 ASN A 65 89.001 10.427 -7.089 1.00 0.00 H new ATOM 0 HD22 ASN A 65 88.383 8.779 -6.933 1.00 0.00 H new ATOM 585 N GLU A 66 86.432 11.554 -4.007 1.00 0.00 N ATOM 586 CA GLU A 66 86.421 12.899 -3.364 1.00 0.00 C ATOM 587 C GLU A 66 85.198 12.958 -2.467 1.00 0.00 C ATOM 588 O GLU A 66 85.285 13.274 -1.295 1.00 0.00 O ATOM 589 CB GLU A 66 86.334 13.924 -4.491 1.00 0.00 C ATOM 590 CG GLU A 66 87.478 13.693 -5.481 1.00 0.00 C ATOM 591 CD GLU A 66 88.214 15.011 -5.724 1.00 0.00 C ATOM 592 OE1 GLU A 66 87.591 15.932 -6.225 1.00 0.00 O ATOM 593 OE2 GLU A 66 89.390 15.078 -5.403 1.00 0.00 O ATOM 0 H GLU A 66 86.392 11.545 -5.026 1.00 0.00 H new ATOM 0 HA GLU A 66 87.309 13.098 -2.763 1.00 0.00 H new ATOM 0 HB2 GLU A 66 85.375 13.839 -5.001 1.00 0.00 H new ATOM 0 HB3 GLU A 66 86.390 14.934 -4.084 1.00 0.00 H new ATOM 0 HG2 GLU A 66 88.168 12.946 -5.089 1.00 0.00 H new ATOM 0 HG3 GLU A 66 87.087 13.304 -6.421 1.00 0.00 H new ATOM 600 N VAL A 67 84.062 12.592 -2.990 1.00 0.00 N ATOM 601 CA VAL A 67 82.864 12.563 -2.131 1.00 0.00 C ATOM 602 C VAL A 67 83.163 11.554 -1.015 1.00 0.00 C ATOM 603 O VAL A 67 82.969 11.813 0.156 1.00 0.00 O ATOM 604 CB VAL A 67 81.711 12.061 -3.017 1.00 0.00 C ATOM 605 CG1 VAL A 67 81.469 12.995 -4.207 1.00 0.00 C ATOM 606 CG2 VAL A 67 82.051 10.679 -3.535 1.00 0.00 C ATOM 0 H VAL A 67 83.919 12.317 -3.962 1.00 0.00 H new ATOM 0 HA VAL A 67 82.605 13.530 -1.699 1.00 0.00 H new ATOM 0 HB VAL A 67 80.804 12.035 -2.413 1.00 0.00 H new ATOM 0 HG11 VAL A 67 80.648 12.609 -4.811 1.00 0.00 H new ATOM 0 HG12 VAL A 67 81.215 13.990 -3.843 1.00 0.00 H new ATOM 0 HG13 VAL A 67 82.372 13.051 -4.815 1.00 0.00 H new ATOM 0 HG21 VAL A 67 81.238 10.316 -4.164 1.00 0.00 H new ATOM 0 HG22 VAL A 67 82.970 10.725 -4.120 1.00 0.00 H new ATOM 0 HG23 VAL A 67 82.190 9.999 -2.694 1.00 0.00 H new ATOM 616 N ALA A 68 83.682 10.409 -1.380 1.00 0.00 N ATOM 617 CA ALA A 68 84.027 9.387 -0.354 1.00 0.00 C ATOM 618 C ALA A 68 84.819 10.052 0.748 1.00 0.00 C ATOM 619 O ALA A 68 84.794 9.652 1.887 1.00 0.00 O ATOM 620 CB ALA A 68 84.886 8.348 -1.059 1.00 0.00 C ATOM 0 H ALA A 68 83.880 10.141 -2.344 1.00 0.00 H new ATOM 0 HA ALA A 68 83.141 8.928 0.084 1.00 0.00 H new ATOM 0 HB1 ALA A 68 85.170 7.570 -0.351 1.00 0.00 H new ATOM 0 HB2 ALA A 68 84.321 7.904 -1.879 1.00 0.00 H new ATOM 0 HB3 ALA A 68 85.783 8.825 -1.453 1.00 0.00 H new ATOM 626 N ALA A 69 85.538 11.070 0.421 1.00 0.00 N ATOM 627 CA ALA A 69 86.316 11.747 1.466 1.00 0.00 C ATOM 628 C ALA A 69 85.356 12.403 2.448 1.00 0.00 C ATOM 629 O ALA A 69 85.161 11.929 3.549 1.00 0.00 O ATOM 630 CB ALA A 69 87.154 12.797 0.738 1.00 0.00 C ATOM 0 H ALA A 69 85.620 11.460 -0.518 1.00 0.00 H new ATOM 0 HA ALA A 69 86.952 11.065 2.030 1.00 0.00 H new ATOM 0 HB1 ALA A 69 87.762 13.342 1.460 1.00 0.00 H new ATOM 0 HB2 ALA A 69 87.804 12.306 0.014 1.00 0.00 H new ATOM 0 HB3 ALA A 69 86.495 13.493 0.220 1.00 0.00 H new ATOM 636 N GLN A 70 84.762 13.497 2.066 1.00 0.00 N ATOM 637 CA GLN A 70 83.832 14.188 3.003 1.00 0.00 C ATOM 638 C GLN A 70 82.391 13.755 2.855 1.00 0.00 C ATOM 639 O GLN A 70 81.690 13.644 3.839 1.00 0.00 O ATOM 640 CB GLN A 70 84.076 15.661 2.778 1.00 0.00 C ATOM 641 CG GLN A 70 85.379 16.049 3.529 1.00 0.00 C ATOM 642 CD GLN A 70 86.331 14.826 3.685 1.00 0.00 C ATOM 643 OE1 GLN A 70 87.308 14.724 2.971 1.00 0.00 O ATOM 644 NE2 GLN A 70 86.085 13.887 4.591 1.00 0.00 N ATOM 0 H GLN A 70 84.877 13.940 1.155 1.00 0.00 H new ATOM 0 HA GLN A 70 84.030 13.921 4.041 1.00 0.00 H new ATOM 0 HB2 GLN A 70 84.172 15.874 1.713 1.00 0.00 H new ATOM 0 HB3 GLN A 70 83.234 16.248 3.146 1.00 0.00 H new ATOM 0 HG2 GLN A 70 85.891 16.843 2.986 1.00 0.00 H new ATOM 0 HG3 GLN A 70 85.129 16.445 4.513 1.00 0.00 H new ATOM 0 HE21 GLN A 70 85.267 13.963 5.196 1.00 0.00 H new ATOM 0 HE22 GLN A 70 86.714 13.089 4.682 1.00 0.00 H new ATOM 653 N TYR A 71 81.921 13.461 1.680 1.00 0.00 N ATOM 654 CA TYR A 71 80.523 12.983 1.621 1.00 0.00 C ATOM 655 C TYR A 71 80.480 11.801 2.582 1.00 0.00 C ATOM 656 O TYR A 71 79.506 11.553 3.261 1.00 0.00 O ATOM 657 CB TYR A 71 80.229 12.608 0.171 1.00 0.00 C ATOM 658 CG TYR A 71 79.933 13.875 -0.597 1.00 0.00 C ATOM 659 CD1 TYR A 71 80.685 15.042 -0.364 1.00 0.00 C ATOM 660 CD2 TYR A 71 78.895 13.892 -1.533 1.00 0.00 C ATOM 661 CE1 TYR A 71 80.393 16.212 -1.070 1.00 0.00 C ATOM 662 CE2 TYR A 71 78.604 15.066 -2.235 1.00 0.00 C ATOM 663 CZ TYR A 71 79.353 16.227 -2.004 1.00 0.00 C ATOM 664 OH TYR A 71 79.062 17.385 -2.693 1.00 0.00 O ATOM 0 H TYR A 71 82.421 13.527 0.793 1.00 0.00 H new ATOM 0 HA TYR A 71 79.767 13.712 1.913 1.00 0.00 H new ATOM 0 HB2 TYR A 71 81.082 12.089 -0.267 1.00 0.00 H new ATOM 0 HB3 TYR A 71 79.380 11.926 0.120 1.00 0.00 H new ATOM 0 HD1 TYR A 71 81.487 15.033 0.360 1.00 0.00 H new ATOM 0 HD2 TYR A 71 78.317 12.998 -1.714 1.00 0.00 H new ATOM 0 HE1 TYR A 71 80.972 17.106 -0.894 1.00 0.00 H new ATOM 0 HE2 TYR A 71 77.800 15.078 -2.956 1.00 0.00 H new ATOM 0 HH TYR A 71 79.879 17.915 -2.801 1.00 0.00 H new ATOM 674 N SER A 72 81.608 11.143 2.709 1.00 0.00 N ATOM 675 CA SER A 72 81.739 10.051 3.697 1.00 0.00 C ATOM 676 C SER A 72 82.445 10.659 4.921 1.00 0.00 C ATOM 677 O SER A 72 82.457 11.862 5.084 1.00 0.00 O ATOM 678 CB SER A 72 82.607 8.997 3.023 1.00 0.00 C ATOM 679 OG SER A 72 83.811 8.826 3.754 1.00 0.00 O ATOM 0 H SER A 72 82.447 11.326 2.159 1.00 0.00 H new ATOM 0 HA SER A 72 80.795 9.608 4.013 1.00 0.00 H new ATOM 0 HB2 SER A 72 82.068 8.051 2.966 1.00 0.00 H new ATOM 0 HB3 SER A 72 82.832 9.298 2.000 1.00 0.00 H new ATOM 0 HG SER A 72 84.577 8.975 3.162 1.00 0.00 H new ATOM 685 N GLU A 73 83.036 9.883 5.779 1.00 0.00 N ATOM 686 CA GLU A 73 83.718 10.496 6.953 1.00 0.00 C ATOM 687 C GLU A 73 84.946 9.679 7.347 1.00 0.00 C ATOM 688 O GLU A 73 85.212 9.466 8.512 1.00 0.00 O ATOM 689 CB GLU A 73 82.681 10.477 8.064 1.00 0.00 C ATOM 690 CG GLU A 73 81.924 11.803 8.073 1.00 0.00 C ATOM 691 CD GLU A 73 81.442 12.109 9.492 1.00 0.00 C ATOM 692 OE1 GLU A 73 81.335 11.179 10.274 1.00 0.00 O ATOM 693 OE2 GLU A 73 81.188 13.270 9.774 1.00 0.00 O ATOM 0 H GLU A 73 83.079 8.865 5.724 1.00 0.00 H new ATOM 0 HA GLU A 73 84.071 11.505 6.742 1.00 0.00 H new ATOM 0 HB2 GLU A 73 81.987 9.650 7.914 1.00 0.00 H new ATOM 0 HB3 GLU A 73 83.166 10.316 9.027 1.00 0.00 H new ATOM 0 HG2 GLU A 73 82.571 12.605 7.717 1.00 0.00 H new ATOM 0 HG3 GLU A 73 81.074 11.753 7.392 1.00 0.00 H new ATOM 700 N ASP A 74 85.692 9.230 6.379 1.00 0.00 N ATOM 701 CA ASP A 74 86.915 8.423 6.678 1.00 0.00 C ATOM 702 C ASP A 74 87.555 7.941 5.369 1.00 0.00 C ATOM 703 O ASP A 74 87.737 8.709 4.445 1.00 0.00 O ATOM 704 CB ASP A 74 86.421 7.239 7.517 1.00 0.00 C ATOM 705 CG ASP A 74 85.307 6.507 6.765 1.00 0.00 C ATOM 706 OD1 ASP A 74 85.232 6.662 5.558 1.00 0.00 O ATOM 707 OD2 ASP A 74 84.548 5.804 7.411 1.00 0.00 O ATOM 0 H ASP A 74 85.510 9.386 5.388 1.00 0.00 H new ATOM 0 HA ASP A 74 87.674 8.997 7.209 1.00 0.00 H new ATOM 0 HB2 ASP A 74 87.245 6.556 7.721 1.00 0.00 H new ATOM 0 HB3 ASP A 74 86.053 7.591 8.480 1.00 0.00 H new ATOM 712 N LYS A 75 87.897 6.679 5.275 1.00 0.00 N ATOM 713 CA LYS A 75 88.519 6.167 4.020 1.00 0.00 C ATOM 714 C LYS A 75 87.789 6.742 2.807 1.00 0.00 C ATOM 715 O LYS A 75 86.612 6.511 2.612 1.00 0.00 O ATOM 716 CB LYS A 75 88.337 4.650 4.082 1.00 0.00 C ATOM 717 CG LYS A 75 89.252 3.982 3.054 1.00 0.00 C ATOM 718 CD LYS A 75 90.508 3.458 3.753 1.00 0.00 C ATOM 719 CE LYS A 75 90.620 1.947 3.540 1.00 0.00 C ATOM 720 NZ LYS A 75 92.003 1.601 3.979 1.00 0.00 N ATOM 0 H LYS A 75 87.772 5.985 6.012 1.00 0.00 H new ATOM 0 HA LYS A 75 89.568 6.449 3.929 1.00 0.00 H new ATOM 0 HB2 LYS A 75 88.570 4.286 5.083 1.00 0.00 H new ATOM 0 HB3 LYS A 75 87.298 4.390 3.882 1.00 0.00 H new ATOM 0 HG2 LYS A 75 88.728 3.162 2.563 1.00 0.00 H new ATOM 0 HG3 LYS A 75 89.526 4.696 2.277 1.00 0.00 H new ATOM 0 HD2 LYS A 75 91.392 3.958 3.357 1.00 0.00 H new ATOM 0 HD3 LYS A 75 90.464 3.683 4.819 1.00 0.00 H new ATOM 0 HE2 LYS A 75 89.873 1.409 4.124 1.00 0.00 H new ATOM 0 HE3 LYS A 75 90.459 1.682 2.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 92.158 0.579 3.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 92.692 2.123 3.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 92.124 1.859 4.979 1.00 0.00 H new ATOM 734 N ALA A 76 88.472 7.493 1.989 1.00 0.00 N ATOM 735 CA ALA A 76 87.801 8.080 0.797 1.00 0.00 C ATOM 736 C ALA A 76 88.228 7.340 -0.474 1.00 0.00 C ATOM 737 O ALA A 76 87.622 7.485 -1.517 1.00 0.00 O ATOM 738 CB ALA A 76 88.267 9.533 0.753 1.00 0.00 C ATOM 0 H ALA A 76 89.460 7.725 2.093 1.00 0.00 H new ATOM 0 HA ALA A 76 86.715 8.002 0.858 1.00 0.00 H new ATOM 0 HB1 ALA A 76 87.814 10.035 -0.102 1.00 0.00 H new ATOM 0 HB2 ALA A 76 87.968 10.039 1.671 1.00 0.00 H new ATOM 0 HB3 ALA A 76 89.352 9.564 0.658 1.00 0.00 H new ATOM 744 N ARG A 77 89.267 6.546 -0.396 1.00 0.00 N ATOM 745 CA ARG A 77 89.730 5.794 -1.600 1.00 0.00 C ATOM 746 C ARG A 77 88.524 5.259 -2.373 1.00 0.00 C ATOM 747 O ARG A 77 87.883 4.322 -1.947 1.00 0.00 O ATOM 748 CB ARG A 77 90.565 4.640 -1.049 1.00 0.00 C ATOM 749 CG ARG A 77 91.841 4.495 -1.877 1.00 0.00 C ATOM 750 CD ARG A 77 93.048 4.407 -0.942 1.00 0.00 C ATOM 751 NE ARG A 77 93.088 2.982 -0.508 1.00 0.00 N ATOM 752 CZ ARG A 77 94.205 2.463 -0.077 1.00 0.00 C ATOM 753 NH1 ARG A 77 94.910 3.091 0.824 1.00 0.00 N ATOM 754 NH2 ARG A 77 94.616 1.317 -0.545 1.00 0.00 N ATOM 0 H ARG A 77 89.814 6.387 0.450 1.00 0.00 H new ATOM 0 HA ARG A 77 90.303 6.418 -2.286 1.00 0.00 H new ATOM 0 HB2 ARG A 77 90.815 4.824 -0.004 1.00 0.00 H new ATOM 0 HB3 ARG A 77 89.991 3.714 -1.080 1.00 0.00 H new ATOM 0 HG2 ARG A 77 91.784 3.602 -2.500 1.00 0.00 H new ATOM 0 HG3 ARG A 77 91.950 5.346 -2.549 1.00 0.00 H new ATOM 0 HD2 ARG A 77 93.967 4.691 -1.454 1.00 0.00 H new ATOM 0 HD3 ARG A 77 92.938 5.078 -0.090 1.00 0.00 H new ATOM 0 HE ARG A 77 92.243 2.413 -0.548 1.00 0.00 H new ATOM 0 HH11 ARG A 77 94.588 3.987 1.191 1.00 0.00 H new ATOM 0 HH12 ARG A 77 95.783 2.686 1.162 1.00 0.00 H new ATOM 0 HH21 ARG A 77 94.064 0.826 -1.248 1.00 0.00 H new ATOM 0 HH22 ARG A 77 95.489 0.912 -0.208 1.00 0.00 H new ATOM 768 N GLN A 78 88.208 5.866 -3.492 1.00 0.00 N ATOM 769 CA GLN A 78 87.025 5.424 -4.301 1.00 0.00 C ATOM 770 C GLN A 78 85.745 5.606 -3.486 1.00 0.00 C ATOM 771 O GLN A 78 84.857 6.342 -3.859 1.00 0.00 O ATOM 772 CB GLN A 78 87.252 3.943 -4.620 1.00 0.00 C ATOM 773 CG GLN A 78 85.916 3.303 -5.022 1.00 0.00 C ATOM 774 CD GLN A 78 85.242 2.705 -3.780 1.00 0.00 C ATOM 775 OE1 GLN A 78 85.831 1.903 -3.084 1.00 0.00 O ATOM 776 NE2 GLN A 78 84.024 3.065 -3.471 1.00 0.00 N ATOM 0 H GLN A 78 88.722 6.655 -3.883 1.00 0.00 H new ATOM 0 HA GLN A 78 86.920 6.009 -5.215 1.00 0.00 H new ATOM 0 HB2 GLN A 78 87.976 3.840 -5.428 1.00 0.00 H new ATOM 0 HB3 GLN A 78 87.668 3.431 -3.752 1.00 0.00 H new ATOM 0 HG2 GLN A 78 85.266 4.049 -5.478 1.00 0.00 H new ATOM 0 HG3 GLN A 78 86.082 2.526 -5.768 1.00 0.00 H new ATOM 0 HE21 GLN A 78 83.528 3.739 -4.054 1.00 0.00 H new ATOM 0 HE22 GLN A 78 83.570 2.672 -2.646 1.00 0.00 H new ATOM 785 N GLY A 79 85.653 4.940 -2.376 1.00 0.00 N ATOM 786 CA GLY A 79 84.449 5.062 -1.518 1.00 0.00 C ATOM 787 C GLY A 79 84.718 4.329 -0.204 1.00 0.00 C ATOM 788 O GLY A 79 83.834 3.739 0.387 1.00 0.00 O ATOM 0 H GLY A 79 86.370 4.307 -2.021 1.00 0.00 H new ATOM 0 HA2 GLY A 79 84.223 6.111 -1.328 1.00 0.00 H new ATOM 0 HA3 GLY A 79 83.581 4.635 -2.020 1.00 0.00 H new ATOM 792 N GLY A 80 85.943 4.350 0.248 1.00 0.00 N ATOM 793 CA GLY A 80 86.288 3.644 1.511 1.00 0.00 C ATOM 794 C GLY A 80 86.521 2.168 1.195 1.00 0.00 C ATOM 795 O GLY A 80 86.212 1.298 1.981 1.00 0.00 O ATOM 0 H GLY A 80 86.721 4.828 -0.206 1.00 0.00 H new ATOM 0 HA2 GLY A 80 87.181 4.081 1.957 1.00 0.00 H new ATOM 0 HA3 GLY A 80 85.483 3.753 2.238 1.00 0.00 H new ATOM 799 N ASP A 81 87.054 1.886 0.036 1.00 0.00 N ATOM 800 CA ASP A 81 87.301 0.469 -0.362 1.00 0.00 C ATOM 801 C ASP A 81 88.100 -0.282 0.709 1.00 0.00 C ATOM 802 O ASP A 81 89.298 -0.442 0.598 1.00 0.00 O ATOM 803 CB ASP A 81 88.112 0.563 -1.655 1.00 0.00 C ATOM 804 CG ASP A 81 88.073 -0.783 -2.380 1.00 0.00 C ATOM 805 OD1 ASP A 81 87.324 -1.644 -1.947 1.00 0.00 O ATOM 806 OD2 ASP A 81 88.792 -0.931 -3.353 1.00 0.00 O ATOM 0 H ASP A 81 87.331 2.581 -0.657 1.00 0.00 H new ATOM 0 HA ASP A 81 86.368 -0.080 -0.488 1.00 0.00 H new ATOM 0 HB2 ASP A 81 87.705 1.345 -2.296 1.00 0.00 H new ATOM 0 HB3 ASP A 81 89.143 0.838 -1.431 1.00 0.00 H new ATOM 811 N LEU A 82 87.448 -0.760 1.736 1.00 0.00 N ATOM 812 CA LEU A 82 88.186 -1.514 2.788 1.00 0.00 C ATOM 813 C LEU A 82 89.053 -2.593 2.132 1.00 0.00 C ATOM 814 O LEU A 82 90.020 -3.059 2.701 1.00 0.00 O ATOM 815 CB LEU A 82 87.100 -2.151 3.656 1.00 0.00 C ATOM 816 CG LEU A 82 86.720 -1.184 4.778 1.00 0.00 C ATOM 817 CD1 LEU A 82 85.793 -0.101 4.224 1.00 0.00 C ATOM 818 CD2 LEU A 82 86.004 -1.946 5.894 1.00 0.00 C ATOM 0 H LEU A 82 86.445 -0.662 1.890 1.00 0.00 H new ATOM 0 HA LEU A 82 88.848 -0.877 3.375 1.00 0.00 H new ATOM 0 HB2 LEU A 82 86.225 -2.386 3.050 1.00 0.00 H new ATOM 0 HB3 LEU A 82 87.458 -3.091 4.076 1.00 0.00 H new ATOM 0 HG LEU A 82 87.623 -0.722 5.178 1.00 0.00 H new ATOM 0 HD11 LEU A 82 85.521 0.589 5.023 1.00 0.00 H new ATOM 0 HD12 LEU A 82 86.304 0.445 3.431 1.00 0.00 H new ATOM 0 HD13 LEU A 82 84.892 -0.564 3.822 1.00 0.00 H new ATOM 0 HD21 LEU A 82 85.735 -1.254 6.692 1.00 0.00 H new ATOM 0 HD22 LEU A 82 85.102 -2.411 5.496 1.00 0.00 H new ATOM 0 HD23 LEU A 82 86.665 -2.717 6.290 1.00 0.00 H new ATOM 830 N GLY A 83 88.709 -2.991 0.935 1.00 0.00 N ATOM 831 CA GLY A 83 89.507 -4.038 0.235 1.00 0.00 C ATOM 832 C GLY A 83 88.891 -5.410 0.513 1.00 0.00 C ATOM 833 O GLY A 83 87.967 -5.536 1.293 1.00 0.00 O ATOM 0 H GLY A 83 87.909 -2.635 0.412 1.00 0.00 H new ATOM 0 HA2 GLY A 83 89.523 -3.844 -0.837 1.00 0.00 H new ATOM 0 HA3 GLY A 83 90.541 -4.014 0.578 1.00 0.00 H new ATOM 837 N TRP A 84 89.398 -6.440 -0.112 1.00 0.00 N ATOM 838 CA TRP A 84 88.843 -7.805 0.127 1.00 0.00 C ATOM 839 C TRP A 84 88.580 -7.990 1.624 1.00 0.00 C ATOM 840 O TRP A 84 89.439 -7.734 2.445 1.00 0.00 O ATOM 841 CB TRP A 84 89.937 -8.760 -0.356 1.00 0.00 C ATOM 842 CG TRP A 84 89.774 -9.015 -1.818 1.00 0.00 C ATOM 843 CD1 TRP A 84 90.624 -8.584 -2.769 1.00 0.00 C ATOM 844 CD2 TRP A 84 88.725 -9.756 -2.509 1.00 0.00 C ATOM 845 NE1 TRP A 84 90.167 -9.002 -4.006 1.00 0.00 N ATOM 846 CE2 TRP A 84 88.997 -9.729 -3.898 1.00 0.00 C ATOM 847 CE3 TRP A 84 87.577 -10.436 -2.072 1.00 0.00 C ATOM 848 CZ2 TRP A 84 88.159 -10.358 -4.820 1.00 0.00 C ATOM 849 CZ3 TRP A 84 86.732 -11.070 -2.996 1.00 0.00 C ATOM 850 CH2 TRP A 84 87.021 -11.031 -4.369 1.00 0.00 C ATOM 0 H TRP A 84 90.171 -6.395 -0.776 1.00 0.00 H new ATOM 0 HA TRP A 84 87.900 -7.980 -0.391 1.00 0.00 H new ATOM 0 HB2 TRP A 84 90.920 -8.332 -0.159 1.00 0.00 H new ATOM 0 HB3 TRP A 84 89.883 -9.699 0.195 1.00 0.00 H new ATOM 0 HD1 TRP A 84 91.519 -8.005 -2.594 1.00 0.00 H new ATOM 0 HE1 TRP A 84 90.636 -8.799 -4.889 1.00 0.00 H new ATOM 0 HE3 TRP A 84 87.343 -10.471 -1.018 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 88.389 -10.325 -5.875 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 85.853 -11.592 -2.648 1.00 0.00 H new ATOM 0 HH2 TRP A 84 86.366 -11.520 -5.075 1.00 0.00 H new ATOM 861 N MET A 85 87.402 -8.413 1.995 1.00 0.00 N ATOM 862 CA MET A 85 87.111 -8.583 3.449 1.00 0.00 C ATOM 863 C MET A 85 86.221 -9.801 3.692 1.00 0.00 C ATOM 864 O MET A 85 85.357 -10.123 2.901 1.00 0.00 O ATOM 865 CB MET A 85 86.386 -7.301 3.855 1.00 0.00 C ATOM 866 CG MET A 85 87.400 -6.285 4.383 1.00 0.00 C ATOM 867 SD MET A 85 87.925 -6.768 6.047 1.00 0.00 S ATOM 868 CE MET A 85 89.302 -5.603 6.197 1.00 0.00 C ATOM 0 H MET A 85 86.636 -8.646 1.363 1.00 0.00 H new ATOM 0 HA MET A 85 88.020 -8.747 4.028 1.00 0.00 H new ATOM 0 HB2 MET A 85 85.852 -6.887 3.000 1.00 0.00 H new ATOM 0 HB3 MET A 85 85.641 -7.519 4.621 1.00 0.00 H new ATOM 0 HG2 MET A 85 88.262 -6.236 3.718 1.00 0.00 H new ATOM 0 HG3 MET A 85 86.957 -5.290 4.404 1.00 0.00 H new ATOM 0 HE1 MET A 85 89.598 -5.522 7.243 1.00 0.00 H new ATOM 0 HE2 MET A 85 90.147 -5.960 5.608 1.00 0.00 H new ATOM 0 HE3 MET A 85 88.992 -4.624 5.831 1.00 0.00 H new ATOM 878 N THR A 86 86.427 -10.475 4.791 1.00 0.00 N ATOM 879 CA THR A 86 85.602 -11.673 5.107 1.00 0.00 C ATOM 880 C THR A 86 84.929 -11.503 6.474 1.00 0.00 C ATOM 881 O THR A 86 85.449 -10.842 7.351 1.00 0.00 O ATOM 882 CB THR A 86 86.593 -12.836 5.137 1.00 0.00 C ATOM 883 OG1 THR A 86 87.869 -12.359 5.543 1.00 0.00 O ATOM 884 CG2 THR A 86 86.697 -13.456 3.743 1.00 0.00 C ATOM 0 H THR A 86 87.136 -10.245 5.487 1.00 0.00 H new ATOM 0 HA THR A 86 84.807 -11.834 4.379 1.00 0.00 H new ATOM 0 HB THR A 86 86.246 -13.591 5.842 1.00 0.00 H new ATOM 0 HG1 THR A 86 88.505 -13.104 5.564 1.00 0.00 H new ATOM 0 HG21 THR A 86 87.404 -14.285 3.765 1.00 0.00 H new ATOM 0 HG22 THR A 86 85.718 -13.822 3.434 1.00 0.00 H new ATOM 0 HG23 THR A 86 87.043 -12.703 3.035 1.00 0.00 H new ATOM 892 N ARG A 87 83.777 -12.091 6.654 1.00 0.00 N ATOM 893 CA ARG A 87 83.063 -11.967 7.960 1.00 0.00 C ATOM 894 C ARG A 87 84.057 -12.028 9.124 1.00 0.00 C ATOM 895 O ARG A 87 83.960 -11.278 10.076 1.00 0.00 O ATOM 896 CB ARG A 87 82.112 -13.163 8.003 1.00 0.00 C ATOM 897 CG ARG A 87 81.308 -13.129 9.303 1.00 0.00 C ATOM 898 CD ARG A 87 80.692 -14.507 9.557 1.00 0.00 C ATOM 899 NE ARG A 87 79.641 -14.653 8.511 1.00 0.00 N ATOM 900 CZ ARG A 87 79.153 -15.833 8.237 1.00 0.00 C ATOM 901 NH1 ARG A 87 79.011 -16.717 9.186 1.00 0.00 N ATOM 902 NH2 ARG A 87 78.808 -16.127 7.013 1.00 0.00 N ATOM 0 H ARG A 87 83.297 -12.654 5.951 1.00 0.00 H new ATOM 0 HA ARG A 87 82.534 -11.018 8.051 1.00 0.00 H new ATOM 0 HB2 ARG A 87 81.439 -13.137 7.146 1.00 0.00 H new ATOM 0 HB3 ARG A 87 82.677 -14.093 7.937 1.00 0.00 H new ATOM 0 HG2 ARG A 87 81.953 -12.848 10.135 1.00 0.00 H new ATOM 0 HG3 ARG A 87 80.524 -12.374 9.239 1.00 0.00 H new ATOM 0 HD2 ARG A 87 81.441 -15.295 9.478 1.00 0.00 H new ATOM 0 HD3 ARG A 87 80.265 -14.571 10.558 1.00 0.00 H new ATOM 0 HE ARG A 87 79.303 -13.832 8.009 1.00 0.00 H new ATOM 0 HH11 ARG A 87 79.281 -16.487 10.142 1.00 0.00 H new ATOM 0 HH12 ARG A 87 78.630 -17.639 8.972 1.00 0.00 H new ATOM 0 HH21 ARG A 87 78.920 -15.435 6.272 1.00 0.00 H new ATOM 0 HH22 ARG A 87 78.427 -17.048 6.798 1.00 0.00 H new ATOM 916 N GLY A 88 85.014 -12.914 9.058 1.00 0.00 N ATOM 917 CA GLY A 88 86.010 -13.018 10.161 1.00 0.00 C ATOM 918 C GLY A 88 86.550 -11.624 10.488 1.00 0.00 C ATOM 919 O GLY A 88 86.982 -11.358 11.592 1.00 0.00 O ATOM 0 H GLY A 88 85.148 -13.570 8.288 1.00 0.00 H new ATOM 0 HA2 GLY A 88 85.547 -13.458 11.044 1.00 0.00 H new ATOM 0 HA3 GLY A 88 86.827 -13.677 9.868 1.00 0.00 H new ATOM 923 N SER A 89 86.527 -10.732 9.536 1.00 0.00 N ATOM 924 CA SER A 89 87.037 -9.354 9.791 1.00 0.00 C ATOM 925 C SER A 89 85.871 -8.362 9.840 1.00 0.00 C ATOM 926 O SER A 89 85.854 -7.448 10.640 1.00 0.00 O ATOM 927 CB SER A 89 87.952 -9.046 8.605 1.00 0.00 C ATOM 928 OG SER A 89 88.675 -7.852 8.864 1.00 0.00 O ATOM 0 H SER A 89 86.177 -10.897 8.592 1.00 0.00 H new ATOM 0 HA SER A 89 87.562 -9.276 10.743 1.00 0.00 H new ATOM 0 HB2 SER A 89 88.642 -9.873 8.440 1.00 0.00 H new ATOM 0 HB3 SER A 89 87.362 -8.937 7.695 1.00 0.00 H new ATOM 0 HG SER A 89 88.591 -7.246 8.098 1.00 0.00 H new ATOM 934 N MET A 90 84.896 -8.539 8.990 1.00 0.00 N ATOM 935 CA MET A 90 83.732 -7.608 8.988 1.00 0.00 C ATOM 936 C MET A 90 82.914 -7.784 10.270 1.00 0.00 C ATOM 937 O MET A 90 83.393 -8.308 11.256 1.00 0.00 O ATOM 938 CB MET A 90 82.905 -8.011 7.765 1.00 0.00 C ATOM 939 CG MET A 90 83.661 -7.629 6.490 1.00 0.00 C ATOM 940 SD MET A 90 82.592 -6.619 5.434 1.00 0.00 S ATOM 941 CE MET A 90 81.775 -7.983 4.570 1.00 0.00 C ATOM 0 H MET A 90 84.855 -9.287 8.298 1.00 0.00 H new ATOM 0 HA MET A 90 84.038 -6.563 8.947 1.00 0.00 H new ATOM 0 HB2 MET A 90 82.714 -9.084 7.780 1.00 0.00 H new ATOM 0 HB3 MET A 90 81.935 -7.514 7.788 1.00 0.00 H new ATOM 0 HG2 MET A 90 84.566 -7.077 6.743 1.00 0.00 H new ATOM 0 HG3 MET A 90 83.973 -8.527 5.957 1.00 0.00 H new ATOM 0 HE1 MET A 90 81.058 -7.582 3.854 1.00 0.00 H new ATOM 0 HE2 MET A 90 82.520 -8.578 4.043 1.00 0.00 H new ATOM 0 HE3 MET A 90 81.254 -8.611 5.292 1.00 0.00 H new ATOM 951 N VAL A 91 81.683 -7.350 10.266 1.00 0.00 N ATOM 952 CA VAL A 91 80.840 -7.495 11.487 1.00 0.00 C ATOM 953 C VAL A 91 79.505 -8.162 11.128 1.00 0.00 C ATOM 954 O VAL A 91 79.312 -8.624 10.021 1.00 0.00 O ATOM 955 CB VAL A 91 80.635 -6.063 11.992 1.00 0.00 C ATOM 956 CG1 VAL A 91 79.557 -5.366 11.161 1.00 0.00 C ATOM 957 CG2 VAL A 91 80.211 -6.094 13.463 1.00 0.00 C ATOM 0 H VAL A 91 81.225 -6.902 9.472 1.00 0.00 H new ATOM 0 HA VAL A 91 81.301 -8.124 12.249 1.00 0.00 H new ATOM 0 HB VAL A 91 81.571 -5.512 11.895 1.00 0.00 H new ATOM 0 HG11 VAL A 91 79.417 -4.349 11.526 1.00 0.00 H new ATOM 0 HG12 VAL A 91 79.865 -5.337 10.116 1.00 0.00 H new ATOM 0 HG13 VAL A 91 78.619 -5.915 11.248 1.00 0.00 H new ATOM 0 HG21 VAL A 91 80.065 -5.075 13.821 1.00 0.00 H new ATOM 0 HG22 VAL A 91 79.279 -6.650 13.561 1.00 0.00 H new ATOM 0 HG23 VAL A 91 80.987 -6.579 14.055 1.00 0.00 H new ATOM 967 N GLY A 92 78.589 -8.227 12.056 1.00 0.00 N ATOM 968 CA GLY A 92 77.278 -8.877 11.768 1.00 0.00 C ATOM 969 C GLY A 92 76.446 -7.995 10.828 1.00 0.00 C ATOM 970 O GLY A 92 76.187 -8.370 9.705 1.00 0.00 O ATOM 0 H GLY A 92 78.692 -7.858 13.001 1.00 0.00 H new ATOM 0 HA2 GLY A 92 77.440 -9.854 11.313 1.00 0.00 H new ATOM 0 HA3 GLY A 92 76.734 -9.044 12.698 1.00 0.00 H new ATOM 974 N PRO A 93 76.045 -6.849 11.321 1.00 0.00 N ATOM 975 CA PRO A 93 75.225 -5.912 10.514 1.00 0.00 C ATOM 976 C PRO A 93 75.928 -5.559 9.198 1.00 0.00 C ATOM 977 O PRO A 93 75.473 -5.913 8.129 1.00 0.00 O ATOM 978 CB PRO A 93 75.117 -4.690 11.430 1.00 0.00 C ATOM 979 CG PRO A 93 75.882 -4.980 12.737 1.00 0.00 C ATOM 980 CD PRO A 93 76.388 -6.428 12.701 1.00 0.00 C ATOM 0 HA PRO A 93 74.257 -6.320 10.222 1.00 0.00 H new ATOM 0 HB2 PRO A 93 75.532 -3.811 10.937 1.00 0.00 H new ATOM 0 HB3 PRO A 93 74.071 -4.471 11.645 1.00 0.00 H new ATOM 0 HG2 PRO A 93 76.719 -4.290 12.846 1.00 0.00 H new ATOM 0 HG3 PRO A 93 75.230 -4.829 13.598 1.00 0.00 H new ATOM 0 HD2 PRO A 93 77.460 -6.489 12.890 1.00 0.00 H new ATOM 0 HD3 PRO A 93 75.896 -7.049 13.450 1.00 0.00 H new ATOM 988 N PHE A 94 77.024 -4.857 9.270 1.00 0.00 N ATOM 989 CA PHE A 94 77.751 -4.471 8.025 1.00 0.00 C ATOM 990 C PHE A 94 77.781 -5.635 7.027 1.00 0.00 C ATOM 991 O PHE A 94 77.663 -5.442 5.834 1.00 0.00 O ATOM 992 CB PHE A 94 79.166 -4.128 8.491 1.00 0.00 C ATOM 993 CG PHE A 94 79.862 -3.293 7.442 1.00 0.00 C ATOM 994 CD1 PHE A 94 79.682 -1.904 7.421 1.00 0.00 C ATOM 995 CD2 PHE A 94 80.690 -3.906 6.494 1.00 0.00 C ATOM 996 CE1 PHE A 94 80.329 -1.129 6.451 1.00 0.00 C ATOM 997 CE2 PHE A 94 81.338 -3.130 5.524 1.00 0.00 C ATOM 998 CZ PHE A 94 81.158 -1.741 5.503 1.00 0.00 C ATOM 0 H PHE A 94 77.450 -4.532 10.138 1.00 0.00 H new ATOM 0 HA PHE A 94 77.270 -3.638 7.512 1.00 0.00 H new ATOM 0 HB2 PHE A 94 79.126 -3.584 9.435 1.00 0.00 H new ATOM 0 HB3 PHE A 94 79.730 -5.043 8.674 1.00 0.00 H new ATOM 0 HD1 PHE A 94 79.044 -1.431 8.153 1.00 0.00 H new ATOM 0 HD2 PHE A 94 80.829 -4.977 6.510 1.00 0.00 H new ATOM 0 HE1 PHE A 94 80.189 -0.058 6.434 1.00 0.00 H new ATOM 0 HE2 PHE A 94 81.976 -3.603 4.792 1.00 0.00 H new ATOM 0 HZ PHE A 94 81.658 -1.143 4.756 1.00 0.00 H new ATOM 1008 N GLN A 95 77.945 -6.840 7.502 1.00 0.00 N ATOM 1009 CA GLN A 95 77.989 -8.007 6.571 1.00 0.00 C ATOM 1010 C GLN A 95 76.579 -8.553 6.320 1.00 0.00 C ATOM 1011 O GLN A 95 76.222 -8.885 5.208 1.00 0.00 O ATOM 1012 CB GLN A 95 78.847 -9.051 7.288 1.00 0.00 C ATOM 1013 CG GLN A 95 78.962 -10.303 6.414 1.00 0.00 C ATOM 1014 CD GLN A 95 78.479 -11.523 7.202 1.00 0.00 C ATOM 1015 OE1 GLN A 95 79.181 -12.509 7.308 1.00 0.00 O ATOM 1016 NE2 GLN A 95 77.301 -11.499 7.762 1.00 0.00 N ATOM 0 H GLN A 95 78.050 -7.068 8.491 1.00 0.00 H new ATOM 0 HA GLN A 95 78.397 -7.737 5.597 1.00 0.00 H new ATOM 0 HB2 GLN A 95 79.838 -8.645 7.493 1.00 0.00 H new ATOM 0 HB3 GLN A 95 78.402 -9.305 8.250 1.00 0.00 H new ATOM 0 HG2 GLN A 95 78.367 -10.183 5.509 1.00 0.00 H new ATOM 0 HG3 GLN A 95 79.996 -10.446 6.100 1.00 0.00 H new ATOM 0 HE21 GLN A 95 76.711 -10.672 7.674 1.00 0.00 H new ATOM 0 HE22 GLN A 95 76.970 -12.308 8.288 1.00 0.00 H new ATOM 1025 N GLU A 96 75.779 -8.656 7.346 1.00 0.00 N ATOM 1026 CA GLU A 96 74.395 -9.186 7.172 1.00 0.00 C ATOM 1027 C GLU A 96 73.765 -8.632 5.891 1.00 0.00 C ATOM 1028 O GLU A 96 72.981 -9.291 5.238 1.00 0.00 O ATOM 1029 CB GLU A 96 73.627 -8.697 8.400 1.00 0.00 C ATOM 1030 CG GLU A 96 73.635 -9.784 9.475 1.00 0.00 C ATOM 1031 CD GLU A 96 72.931 -9.266 10.730 1.00 0.00 C ATOM 1032 OE1 GLU A 96 73.521 -8.455 11.424 1.00 0.00 O ATOM 1033 OE2 GLU A 96 71.814 -9.688 10.976 1.00 0.00 O ATOM 0 H GLU A 96 76.025 -8.395 8.301 1.00 0.00 H new ATOM 0 HA GLU A 96 74.381 -10.272 7.085 1.00 0.00 H new ATOM 0 HB2 GLU A 96 74.082 -7.785 8.787 1.00 0.00 H new ATOM 0 HB3 GLU A 96 72.601 -8.450 8.126 1.00 0.00 H new ATOM 0 HG2 GLU A 96 73.133 -10.678 9.106 1.00 0.00 H new ATOM 0 HG3 GLU A 96 74.660 -10.069 9.712 1.00 0.00 H new ATOM 1040 N ALA A 97 74.098 -7.424 5.528 1.00 0.00 N ATOM 1041 CA ALA A 97 73.513 -6.830 4.292 1.00 0.00 C ATOM 1042 C ALA A 97 74.244 -7.351 3.052 1.00 0.00 C ATOM 1043 O ALA A 97 73.732 -8.174 2.317 1.00 0.00 O ATOM 1044 CB ALA A 97 73.720 -5.322 4.441 1.00 0.00 C ATOM 0 H ALA A 97 74.749 -6.823 6.033 1.00 0.00 H new ATOM 0 HA ALA A 97 72.461 -7.089 4.170 1.00 0.00 H new ATOM 0 HB1 ALA A 97 73.315 -4.811 3.568 1.00 0.00 H new ATOM 0 HB2 ALA A 97 73.208 -4.971 5.337 1.00 0.00 H new ATOM 0 HB3 ALA A 97 74.785 -5.108 4.525 1.00 0.00 H new ATOM 1050 N ALA A 98 75.432 -6.875 2.813 1.00 0.00 N ATOM 1051 CA ALA A 98 76.200 -7.334 1.618 1.00 0.00 C ATOM 1052 C ALA A 98 76.130 -8.858 1.482 1.00 0.00 C ATOM 1053 O ALA A 98 75.578 -9.381 0.534 1.00 0.00 O ATOM 1054 CB ALA A 98 77.638 -6.885 1.877 1.00 0.00 C ATOM 0 H ALA A 98 75.908 -6.185 3.394 1.00 0.00 H new ATOM 0 HA ALA A 98 75.800 -6.920 0.692 1.00 0.00 H new ATOM 0 HB1 ALA A 98 78.269 -7.186 1.041 1.00 0.00 H new ATOM 0 HB2 ALA A 98 77.667 -5.800 1.982 1.00 0.00 H new ATOM 0 HB3 ALA A 98 78.004 -7.348 2.793 1.00 0.00 H new ATOM 1060 N PHE A 99 76.689 -9.576 2.418 1.00 0.00 N ATOM 1061 CA PHE A 99 76.660 -11.066 2.334 1.00 0.00 C ATOM 1062 C PHE A 99 75.274 -11.557 1.910 1.00 0.00 C ATOM 1063 O PHE A 99 75.130 -12.614 1.329 1.00 0.00 O ATOM 1064 CB PHE A 99 76.987 -11.550 3.747 1.00 0.00 C ATOM 1065 CG PHE A 99 78.466 -11.825 3.857 1.00 0.00 C ATOM 1066 CD1 PHE A 99 79.378 -11.071 3.110 1.00 0.00 C ATOM 1067 CD2 PHE A 99 78.927 -12.837 4.710 1.00 0.00 C ATOM 1068 CE1 PHE A 99 80.751 -11.328 3.214 1.00 0.00 C ATOM 1069 CE2 PHE A 99 80.299 -13.093 4.814 1.00 0.00 C ATOM 1070 CZ PHE A 99 81.211 -12.339 4.066 1.00 0.00 C ATOM 0 H PHE A 99 77.164 -9.197 3.237 1.00 0.00 H new ATOM 0 HA PHE A 99 77.366 -11.445 1.595 1.00 0.00 H new ATOM 0 HB2 PHE A 99 76.691 -10.797 4.478 1.00 0.00 H new ATOM 0 HB3 PHE A 99 76.421 -12.454 3.973 1.00 0.00 H new ATOM 0 HD1 PHE A 99 79.023 -10.291 2.453 1.00 0.00 H new ATOM 0 HD2 PHE A 99 78.224 -13.419 5.287 1.00 0.00 H new ATOM 0 HE1 PHE A 99 81.455 -10.746 2.637 1.00 0.00 H new ATOM 0 HE2 PHE A 99 80.654 -13.873 5.472 1.00 0.00 H new ATOM 0 HZ PHE A 99 82.270 -12.537 4.146 1.00 0.00 H new ATOM 1080 N ALA A 100 74.250 -10.804 2.199 1.00 0.00 N ATOM 1081 CA ALA A 100 72.876 -11.237 1.813 1.00 0.00 C ATOM 1082 C ALA A 100 72.351 -10.381 0.657 1.00 0.00 C ATOM 1083 O ALA A 100 71.266 -10.597 0.156 1.00 0.00 O ATOM 1084 CB ALA A 100 72.028 -11.024 3.067 1.00 0.00 C ATOM 0 H ALA A 100 74.304 -9.909 2.685 1.00 0.00 H new ATOM 0 HA ALA A 100 72.851 -12.272 1.473 1.00 0.00 H new ATOM 0 HB1 ALA A 100 70.999 -11.320 2.865 1.00 0.00 H new ATOM 0 HB2 ALA A 100 72.426 -11.628 3.882 1.00 0.00 H new ATOM 0 HB3 ALA A 100 72.054 -9.971 3.349 1.00 0.00 H new ATOM 1090 N LEU A 101 73.113 -9.413 0.229 1.00 0.00 N ATOM 1091 CA LEU A 101 72.658 -8.546 -0.893 1.00 0.00 C ATOM 1092 C LEU A 101 73.654 -8.622 -2.057 1.00 0.00 C ATOM 1093 O LEU A 101 74.746 -9.131 -1.901 1.00 0.00 O ATOM 1094 CB LEU A 101 72.624 -7.137 -0.306 1.00 0.00 C ATOM 1095 CG LEU A 101 71.256 -6.886 0.332 1.00 0.00 C ATOM 1096 CD1 LEU A 101 71.433 -6.044 1.596 1.00 0.00 C ATOM 1097 CD2 LEU A 101 70.359 -6.140 -0.659 1.00 0.00 C ATOM 0 H LEU A 101 74.032 -9.185 0.608 1.00 0.00 H new ATOM 0 HA LEU A 101 71.688 -8.849 -1.287 1.00 0.00 H new ATOM 0 HB2 LEU A 101 73.412 -7.022 0.439 1.00 0.00 H new ATOM 0 HB3 LEU A 101 72.814 -6.401 -1.087 1.00 0.00 H new ATOM 0 HG LEU A 101 70.794 -7.839 0.591 1.00 0.00 H new ATOM 0 HD11 LEU A 101 70.460 -5.864 2.052 1.00 0.00 H new ATOM 0 HD12 LEU A 101 72.072 -6.576 2.301 1.00 0.00 H new ATOM 0 HD13 LEU A 101 71.894 -5.091 1.337 1.00 0.00 H new ATOM 0 HD21 LEU A 101 69.385 -5.961 -0.204 1.00 0.00 H new ATOM 0 HD22 LEU A 101 70.818 -5.186 -0.919 1.00 0.00 H new ATOM 0 HD23 LEU A 101 70.234 -6.740 -1.560 1.00 0.00 H new ATOM 1109 N PRO A 102 73.246 -8.109 -3.193 1.00 0.00 N ATOM 1110 CA PRO A 102 74.115 -8.122 -4.392 1.00 0.00 C ATOM 1111 C PRO A 102 75.389 -7.315 -4.134 1.00 0.00 C ATOM 1112 O PRO A 102 75.390 -6.372 -3.368 1.00 0.00 O ATOM 1113 CB PRO A 102 73.245 -7.435 -5.448 1.00 0.00 C ATOM 1114 CG PRO A 102 71.901 -7.040 -4.802 1.00 0.00 C ATOM 1115 CD PRO A 102 71.903 -7.496 -3.337 1.00 0.00 C ATOM 0 HA PRO A 102 74.442 -9.120 -4.684 1.00 0.00 H new ATOM 0 HB2 PRO A 102 73.751 -6.552 -5.838 1.00 0.00 H new ATOM 0 HB3 PRO A 102 73.076 -8.104 -6.292 1.00 0.00 H new ATOM 0 HG2 PRO A 102 71.757 -5.961 -4.861 1.00 0.00 H new ATOM 0 HG3 PRO A 102 71.073 -7.502 -5.340 1.00 0.00 H new ATOM 0 HD2 PRO A 102 71.763 -6.660 -2.652 1.00 0.00 H new ATOM 0 HD3 PRO A 102 71.106 -8.212 -3.134 1.00 0.00 H new ATOM 1123 N VAL A 103 76.473 -7.671 -4.765 1.00 0.00 N ATOM 1124 CA VAL A 103 77.728 -6.927 -4.557 1.00 0.00 C ATOM 1125 C VAL A 103 77.540 -5.458 -4.951 1.00 0.00 C ATOM 1126 O VAL A 103 76.432 -4.971 -5.045 1.00 0.00 O ATOM 1127 CB VAL A 103 78.730 -7.623 -5.476 1.00 0.00 C ATOM 1128 CG1 VAL A 103 79.148 -8.962 -4.862 1.00 0.00 C ATOM 1129 CG2 VAL A 103 78.117 -7.866 -6.857 1.00 0.00 C ATOM 0 H VAL A 103 76.535 -8.452 -5.418 1.00 0.00 H new ATOM 0 HA VAL A 103 78.059 -6.925 -3.518 1.00 0.00 H new ATOM 0 HB VAL A 103 79.603 -6.980 -5.588 1.00 0.00 H new ATOM 0 HG11 VAL A 103 79.863 -9.456 -5.520 1.00 0.00 H new ATOM 0 HG12 VAL A 103 79.609 -8.788 -3.890 1.00 0.00 H new ATOM 0 HG13 VAL A 103 78.270 -9.596 -4.739 1.00 0.00 H new ATOM 0 HG21 VAL A 103 78.847 -8.363 -7.497 1.00 0.00 H new ATOM 0 HG22 VAL A 103 77.233 -8.496 -6.757 1.00 0.00 H new ATOM 0 HG23 VAL A 103 77.834 -6.912 -7.302 1.00 0.00 H new ATOM 1139 N SER A 104 78.613 -4.747 -5.183 1.00 0.00 N ATOM 1140 CA SER A 104 78.491 -3.310 -5.575 1.00 0.00 C ATOM 1141 C SER A 104 77.708 -2.520 -4.520 1.00 0.00 C ATOM 1142 O SER A 104 77.059 -3.083 -3.660 1.00 0.00 O ATOM 1143 CB SER A 104 77.730 -3.324 -6.903 1.00 0.00 C ATOM 1144 OG SER A 104 78.574 -3.832 -7.925 1.00 0.00 O ATOM 0 H SER A 104 79.568 -5.099 -5.118 1.00 0.00 H new ATOM 0 HA SER A 104 79.466 -2.831 -5.662 1.00 0.00 H new ATOM 0 HB2 SER A 104 76.835 -3.940 -6.815 1.00 0.00 H new ATOM 0 HB3 SER A 104 77.400 -2.317 -7.156 1.00 0.00 H new ATOM 0 HG SER A 104 78.087 -3.843 -8.776 1.00 0.00 H new ATOM 1150 N GLY A 105 77.765 -1.215 -4.583 1.00 0.00 N ATOM 1151 CA GLY A 105 77.029 -0.376 -3.593 1.00 0.00 C ATOM 1152 C GLY A 105 76.519 0.889 -4.284 1.00 0.00 C ATOM 1153 O GLY A 105 75.718 0.826 -5.194 1.00 0.00 O ATOM 0 H GLY A 105 78.293 -0.692 -5.282 1.00 0.00 H new ATOM 0 HA2 GLY A 105 76.194 -0.937 -3.173 1.00 0.00 H new ATOM 0 HA3 GLY A 105 77.685 -0.112 -2.764 1.00 0.00 H new ATOM 1157 N MET A 106 76.982 2.038 -3.862 1.00 0.00 N ATOM 1158 CA MET A 106 76.526 3.308 -4.499 1.00 0.00 C ATOM 1159 C MET A 106 75.008 3.466 -4.339 1.00 0.00 C ATOM 1160 O MET A 106 74.548 4.244 -3.529 1.00 0.00 O ATOM 1161 CB MET A 106 76.916 3.170 -5.971 1.00 0.00 C ATOM 1162 CG MET A 106 76.646 4.488 -6.700 1.00 0.00 C ATOM 1163 SD MET A 106 75.513 4.189 -8.079 1.00 0.00 S ATOM 1164 CE MET A 106 76.771 3.966 -9.360 1.00 0.00 C ATOM 0 H MET A 106 77.656 2.151 -3.104 1.00 0.00 H new ATOM 0 HA MET A 106 76.977 4.190 -4.045 1.00 0.00 H new ATOM 0 HB2 MET A 106 77.970 2.906 -6.055 1.00 0.00 H new ATOM 0 HB3 MET A 106 76.347 2.364 -6.434 1.00 0.00 H new ATOM 0 HG2 MET A 106 76.215 5.216 -6.012 1.00 0.00 H new ATOM 0 HG3 MET A 106 77.581 4.911 -7.068 1.00 0.00 H new ATOM 0 HE1 MET A 106 76.294 3.644 -10.286 1.00 0.00 H new ATOM 0 HE2 MET A 106 77.290 4.909 -9.528 1.00 0.00 H new ATOM 0 HE3 MET A 106 77.487 3.210 -9.039 1.00 0.00 H new ATOM 1174 N ASP A 107 74.231 2.732 -5.097 1.00 0.00 N ATOM 1175 CA ASP A 107 72.740 2.834 -4.979 1.00 0.00 C ATOM 1176 C ASP A 107 72.053 2.164 -6.177 1.00 0.00 C ATOM 1177 O ASP A 107 70.910 1.760 -6.099 1.00 0.00 O ATOM 1178 CB ASP A 107 72.419 4.333 -4.966 1.00 0.00 C ATOM 1179 CG ASP A 107 73.310 5.063 -5.973 1.00 0.00 C ATOM 1180 OD1 ASP A 107 73.048 4.947 -7.158 1.00 0.00 O ATOM 1181 OD2 ASP A 107 74.235 5.729 -5.541 1.00 0.00 O ATOM 0 H ASP A 107 74.564 2.065 -5.794 1.00 0.00 H new ATOM 0 HA ASP A 107 72.383 2.333 -4.079 1.00 0.00 H new ATOM 0 HB2 ASP A 107 71.369 4.492 -5.214 1.00 0.00 H new ATOM 0 HB3 ASP A 107 72.576 4.739 -3.967 1.00 0.00 H new ATOM 1186 N LYS A 108 72.729 2.065 -7.289 1.00 0.00 N ATOM 1187 CA LYS A 108 72.098 1.446 -8.496 1.00 0.00 C ATOM 1188 C LYS A 108 72.303 -0.080 -8.546 1.00 0.00 C ATOM 1189 O LYS A 108 71.363 -0.811 -8.791 1.00 0.00 O ATOM 1190 CB LYS A 108 72.785 2.111 -9.687 1.00 0.00 C ATOM 1191 CG LYS A 108 71.732 2.514 -10.721 1.00 0.00 C ATOM 1192 CD LYS A 108 72.155 3.818 -11.402 1.00 0.00 C ATOM 1193 CE LYS A 108 72.792 3.502 -12.756 1.00 0.00 C ATOM 1194 NZ LYS A 108 74.105 2.879 -12.427 1.00 0.00 N ATOM 0 H LYS A 108 73.689 2.384 -7.417 1.00 0.00 H new ATOM 0 HA LYS A 108 71.019 1.598 -8.490 1.00 0.00 H new ATOM 0 HB2 LYS A 108 73.341 2.989 -9.357 1.00 0.00 H new ATOM 0 HB3 LYS A 108 73.506 1.426 -10.134 1.00 0.00 H new ATOM 0 HG2 LYS A 108 71.616 1.725 -11.464 1.00 0.00 H new ATOM 0 HG3 LYS A 108 70.763 2.642 -10.238 1.00 0.00 H new ATOM 0 HD2 LYS A 108 71.290 4.467 -11.538 1.00 0.00 H new ATOM 0 HD3 LYS A 108 72.863 4.357 -10.772 1.00 0.00 H new ATOM 0 HE2 LYS A 108 72.168 2.824 -13.337 1.00 0.00 H new ATOM 0 HE3 LYS A 108 72.922 4.405 -13.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 74.797 3.118 -13.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 74.439 3.238 -11.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 73.996 1.846 -12.376 1.00 0.00 H new ATOM 1208 N PRO A 109 73.522 -0.520 -8.345 1.00 0.00 N ATOM 1209 CA PRO A 109 73.825 -1.971 -8.410 1.00 0.00 C ATOM 1210 C PRO A 109 73.086 -2.756 -7.320 1.00 0.00 C ATOM 1211 O PRO A 109 72.213 -3.549 -7.606 1.00 0.00 O ATOM 1212 CB PRO A 109 75.338 -2.011 -8.189 1.00 0.00 C ATOM 1213 CG PRO A 109 75.850 -0.567 -8.015 1.00 0.00 C ATOM 1214 CD PRO A 109 74.652 0.389 -8.040 1.00 0.00 C ATOM 0 HA PRO A 109 73.509 -2.429 -9.347 1.00 0.00 H new ATOM 0 HB2 PRO A 109 75.575 -2.605 -7.307 1.00 0.00 H new ATOM 0 HB3 PRO A 109 75.831 -2.487 -9.036 1.00 0.00 H new ATOM 0 HG2 PRO A 109 76.391 -0.469 -7.074 1.00 0.00 H new ATOM 0 HG3 PRO A 109 76.550 -0.316 -8.812 1.00 0.00 H new ATOM 0 HD2 PRO A 109 74.518 0.897 -7.085 1.00 0.00 H new ATOM 0 HD3 PRO A 109 74.766 1.163 -8.799 1.00 0.00 H new ATOM 1222 N VAL A 110 73.442 -2.563 -6.078 1.00 0.00 N ATOM 1223 CA VAL A 110 72.765 -3.322 -4.983 1.00 0.00 C ATOM 1224 C VAL A 110 71.251 -3.250 -5.107 1.00 0.00 C ATOM 1225 O VAL A 110 70.700 -2.736 -6.062 1.00 0.00 O ATOM 1226 CB VAL A 110 73.160 -2.651 -3.667 1.00 0.00 C ATOM 1227 CG1 VAL A 110 74.473 -3.226 -3.153 1.00 0.00 C ATOM 1228 CG2 VAL A 110 73.284 -1.145 -3.869 1.00 0.00 C ATOM 0 H VAL A 110 74.169 -1.916 -5.774 1.00 0.00 H new ATOM 0 HA VAL A 110 73.064 -4.369 -5.032 1.00 0.00 H new ATOM 0 HB VAL A 110 72.385 -2.845 -2.926 1.00 0.00 H new ATOM 0 HG11 VAL A 110 74.741 -2.739 -2.216 1.00 0.00 H new ATOM 0 HG12 VAL A 110 74.360 -4.297 -2.986 1.00 0.00 H new ATOM 0 HG13 VAL A 110 75.258 -3.054 -3.889 1.00 0.00 H new ATOM 0 HG21 VAL A 110 73.566 -0.674 -2.927 1.00 0.00 H new ATOM 0 HG22 VAL A 110 74.047 -0.940 -4.620 1.00 0.00 H new ATOM 0 HG23 VAL A 110 72.328 -0.743 -4.204 1.00 0.00 H new ATOM 1238 N PHE A 111 70.586 -3.757 -4.117 1.00 0.00 N ATOM 1239 CA PHE A 111 69.104 -3.738 -4.101 1.00 0.00 C ATOM 1240 C PHE A 111 68.616 -3.074 -2.809 1.00 0.00 C ATOM 1241 O PHE A 111 67.472 -2.681 -2.694 1.00 0.00 O ATOM 1242 CB PHE A 111 68.721 -5.210 -4.126 1.00 0.00 C ATOM 1243 CG PHE A 111 68.180 -5.573 -5.487 1.00 0.00 C ATOM 1244 CD1 PHE A 111 69.036 -5.610 -6.595 1.00 0.00 C ATOM 1245 CD2 PHE A 111 66.821 -5.877 -5.643 1.00 0.00 C ATOM 1246 CE1 PHE A 111 68.534 -5.949 -7.857 1.00 0.00 C ATOM 1247 CE2 PHE A 111 66.320 -6.216 -6.905 1.00 0.00 C ATOM 1248 CZ PHE A 111 67.176 -6.252 -8.011 1.00 0.00 C ATOM 0 H PHE A 111 71.015 -4.193 -3.301 1.00 0.00 H new ATOM 0 HA PHE A 111 68.667 -3.182 -4.930 1.00 0.00 H new ATOM 0 HB2 PHE A 111 69.590 -5.826 -3.894 1.00 0.00 H new ATOM 0 HB3 PHE A 111 67.972 -5.414 -3.360 1.00 0.00 H new ATOM 0 HD1 PHE A 111 70.084 -5.377 -6.476 1.00 0.00 H new ATOM 0 HD2 PHE A 111 66.160 -5.850 -4.789 1.00 0.00 H new ATOM 0 HE1 PHE A 111 69.194 -5.977 -8.711 1.00 0.00 H new ATOM 0 HE2 PHE A 111 65.272 -6.450 -7.025 1.00 0.00 H new ATOM 0 HZ PHE A 111 66.789 -6.514 -8.985 1.00 0.00 H new ATOM 1258 N THR A 112 69.481 -2.945 -1.835 1.00 0.00 N ATOM 1259 CA THR A 112 69.071 -2.305 -0.551 1.00 0.00 C ATOM 1260 C THR A 112 69.531 -0.849 -0.519 1.00 0.00 C ATOM 1261 O THR A 112 69.761 -0.234 -1.542 1.00 0.00 O ATOM 1262 CB THR A 112 69.786 -3.104 0.541 1.00 0.00 C ATOM 1263 OG1 THR A 112 69.264 -2.738 1.811 1.00 0.00 O ATOM 1264 CG2 THR A 112 71.285 -2.797 0.498 1.00 0.00 C ATOM 0 H THR A 112 70.452 -3.255 -1.874 1.00 0.00 H new ATOM 0 HA THR A 112 67.989 -2.307 -0.420 1.00 0.00 H new ATOM 0 HB THR A 112 69.629 -4.170 0.376 1.00 0.00 H new ATOM 0 HG1 THR A 112 68.378 -2.336 1.697 1.00 0.00 H new ATOM 0 HG21 THR A 112 71.795 -3.366 1.275 1.00 0.00 H new ATOM 0 HG22 THR A 112 71.685 -3.075 -0.477 1.00 0.00 H new ATOM 0 HG23 THR A 112 71.443 -1.732 0.665 1.00 0.00 H new ATOM 1272 N ASP A 113 69.687 -0.304 0.653 1.00 0.00 N ATOM 1273 CA ASP A 113 70.155 1.104 0.764 1.00 0.00 C ATOM 1274 C ASP A 113 71.662 1.098 1.038 1.00 0.00 C ATOM 1275 O ASP A 113 72.122 0.367 1.892 1.00 0.00 O ATOM 1276 CB ASP A 113 69.392 1.687 1.955 1.00 0.00 C ATOM 1277 CG ASP A 113 69.759 0.916 3.224 1.00 0.00 C ATOM 1278 OD1 ASP A 113 69.566 -0.289 3.238 1.00 0.00 O ATOM 1279 OD2 ASP A 113 70.228 1.543 4.160 1.00 0.00 O ATOM 0 H ASP A 113 69.510 -0.774 1.541 1.00 0.00 H new ATOM 0 HA ASP A 113 69.980 1.687 -0.140 1.00 0.00 H new ATOM 0 HB2 ASP A 113 69.636 2.743 2.075 1.00 0.00 H new ATOM 0 HB3 ASP A 113 68.318 1.626 1.778 1.00 0.00 H new ATOM 1284 N PRO A 114 72.398 1.890 0.300 1.00 0.00 N ATOM 1285 CA PRO A 114 73.859 1.928 0.483 1.00 0.00 C ATOM 1286 C PRO A 114 74.231 2.309 1.924 1.00 0.00 C ATOM 1287 O PRO A 114 74.932 1.568 2.573 1.00 0.00 O ATOM 1288 CB PRO A 114 74.313 2.960 -0.553 1.00 0.00 C ATOM 1289 CG PRO A 114 73.067 3.471 -1.308 1.00 0.00 C ATOM 1290 CD PRO A 114 71.820 2.778 -0.736 1.00 0.00 C ATOM 0 HA PRO A 114 74.346 0.964 0.336 1.00 0.00 H new ATOM 0 HB2 PRO A 114 74.827 3.788 -0.064 1.00 0.00 H new ATOM 0 HB3 PRO A 114 75.022 2.512 -1.250 1.00 0.00 H new ATOM 0 HG2 PRO A 114 72.979 4.552 -1.202 1.00 0.00 H new ATOM 0 HG3 PRO A 114 73.159 3.261 -2.374 1.00 0.00 H new ATOM 0 HD2 PRO A 114 71.116 3.494 -0.311 1.00 0.00 H new ATOM 0 HD3 PRO A 114 71.282 2.216 -1.499 1.00 0.00 H new ATOM 1298 N PRO A 115 73.743 3.435 2.389 1.00 0.00 N ATOM 1299 CA PRO A 115 74.041 3.892 3.776 1.00 0.00 C ATOM 1300 C PRO A 115 73.403 2.933 4.789 1.00 0.00 C ATOM 1301 O PRO A 115 72.363 3.219 5.348 1.00 0.00 O ATOM 1302 CB PRO A 115 73.346 5.254 3.832 1.00 0.00 C ATOM 1303 CG PRO A 115 72.666 5.522 2.475 1.00 0.00 C ATOM 1304 CD PRO A 115 72.872 4.303 1.570 1.00 0.00 C ATOM 0 HA PRO A 115 75.105 3.933 4.008 1.00 0.00 H new ATOM 0 HB2 PRO A 115 72.607 5.268 4.633 1.00 0.00 H new ATOM 0 HB3 PRO A 115 74.070 6.038 4.052 1.00 0.00 H new ATOM 0 HG2 PRO A 115 71.602 5.711 2.617 1.00 0.00 H new ATOM 0 HG3 PRO A 115 73.089 6.413 2.010 1.00 0.00 H new ATOM 0 HD2 PRO A 115 71.928 3.815 1.326 1.00 0.00 H new ATOM 0 HD3 PRO A 115 73.344 4.575 0.626 1.00 0.00 H new ATOM 1312 N VAL A 116 73.999 1.796 5.024 1.00 0.00 N ATOM 1313 CA VAL A 116 73.398 0.836 5.990 1.00 0.00 C ATOM 1314 C VAL A 116 73.919 1.103 7.403 1.00 0.00 C ATOM 1315 O VAL A 116 75.028 1.561 7.591 1.00 0.00 O ATOM 1316 CB VAL A 116 73.845 -0.545 5.513 1.00 0.00 C ATOM 1317 CG1 VAL A 116 73.614 -0.679 4.004 1.00 0.00 C ATOM 1318 CG2 VAL A 116 75.330 -0.732 5.824 1.00 0.00 C ATOM 0 H VAL A 116 74.871 1.492 4.591 1.00 0.00 H new ATOM 0 HA VAL A 116 72.312 0.924 6.029 1.00 0.00 H new ATOM 0 HB VAL A 116 73.264 -1.309 6.029 1.00 0.00 H new ATOM 0 HG11 VAL A 116 73.936 -1.666 3.673 1.00 0.00 H new ATOM 0 HG12 VAL A 116 72.554 -0.550 3.785 1.00 0.00 H new ATOM 0 HG13 VAL A 116 74.188 0.084 3.479 1.00 0.00 H new ATOM 0 HG21 VAL A 116 75.652 -1.717 5.485 1.00 0.00 H new ATOM 0 HG22 VAL A 116 75.909 0.036 5.310 1.00 0.00 H new ATOM 0 HG23 VAL A 116 75.490 -0.649 6.899 1.00 0.00 H new ATOM 1328 N LYS A 117 73.126 0.819 8.399 1.00 0.00 N ATOM 1329 CA LYS A 117 73.571 1.055 9.802 1.00 0.00 C ATOM 1330 C LYS A 117 74.141 -0.233 10.402 1.00 0.00 C ATOM 1331 O LYS A 117 73.711 -1.323 10.080 1.00 0.00 O ATOM 1332 CB LYS A 117 72.306 1.478 10.546 1.00 0.00 C ATOM 1333 CG LYS A 117 72.570 1.469 12.053 1.00 0.00 C ATOM 1334 CD LYS A 117 72.019 2.756 12.672 1.00 0.00 C ATOM 1335 CE LYS A 117 71.043 2.402 13.795 1.00 0.00 C ATOM 1336 NZ LYS A 117 69.769 3.079 13.420 1.00 0.00 N ATOM 0 H LYS A 117 72.187 0.433 8.302 1.00 0.00 H new ATOM 0 HA LYS A 117 74.357 1.808 9.867 1.00 0.00 H new ATOM 0 HB2 LYS A 117 72.000 2.474 10.226 1.00 0.00 H new ATOM 0 HB3 LYS A 117 71.487 0.800 10.306 1.00 0.00 H new ATOM 0 HG2 LYS A 117 72.097 0.600 12.511 1.00 0.00 H new ATOM 0 HG3 LYS A 117 73.640 1.388 12.246 1.00 0.00 H new ATOM 0 HD2 LYS A 117 72.835 3.363 13.063 1.00 0.00 H new ATOM 0 HD3 LYS A 117 71.515 3.352 11.911 1.00 0.00 H new ATOM 0 HE2 LYS A 117 70.909 1.323 13.877 1.00 0.00 H new ATOM 0 HE3 LYS A 117 71.408 2.752 14.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 69.047 2.884 14.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 69.927 4.105 13.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 69.443 2.721 12.500 1.00 0.00 H new ATOM 1350 N THR A 118 75.108 -0.117 11.271 1.00 0.00 N ATOM 1351 CA THR A 118 75.704 -1.337 11.889 1.00 0.00 C ATOM 1352 C THR A 118 76.116 -1.056 13.339 1.00 0.00 C ATOM 1353 O THR A 118 75.794 -1.804 14.240 1.00 0.00 O ATOM 1354 CB THR A 118 76.930 -1.664 11.031 1.00 0.00 C ATOM 1355 OG1 THR A 118 77.742 -2.609 11.713 1.00 0.00 O ATOM 1356 CG2 THR A 118 77.741 -0.392 10.766 1.00 0.00 C ATOM 0 H THR A 118 75.511 0.768 11.580 1.00 0.00 H new ATOM 0 HA THR A 118 74.998 -2.167 11.919 1.00 0.00 H new ATOM 0 HB THR A 118 76.600 -2.080 10.079 1.00 0.00 H new ATOM 0 HG1 THR A 118 78.687 -2.407 11.549 1.00 0.00 H new ATOM 0 HG21 THR A 118 78.610 -0.635 10.155 1.00 0.00 H new ATOM 0 HG22 THR A 118 77.120 0.333 10.240 1.00 0.00 H new ATOM 0 HG23 THR A 118 78.071 0.033 11.714 1.00 0.00 H new ATOM 1364 N LYS A 119 76.823 0.016 13.571 1.00 0.00 N ATOM 1365 CA LYS A 119 77.252 0.341 14.963 1.00 0.00 C ATOM 1366 C LYS A 119 78.013 1.671 14.990 1.00 0.00 C ATOM 1367 O LYS A 119 78.869 1.890 15.825 1.00 0.00 O ATOM 1368 CB LYS A 119 78.170 -0.810 15.375 1.00 0.00 C ATOM 1369 CG LYS A 119 79.236 -1.021 14.299 1.00 0.00 C ATOM 1370 CD LYS A 119 80.415 -1.795 14.894 1.00 0.00 C ATOM 1371 CE LYS A 119 81.683 -0.946 14.795 1.00 0.00 C ATOM 1372 NZ LYS A 119 82.701 -1.849 14.187 1.00 0.00 N ATOM 0 H LYS A 119 77.122 0.681 12.858 1.00 0.00 H new ATOM 0 HA LYS A 119 76.404 0.449 15.639 1.00 0.00 H new ATOM 0 HB2 LYS A 119 78.643 -0.588 16.332 1.00 0.00 H new ATOM 0 HB3 LYS A 119 77.589 -1.722 15.511 1.00 0.00 H new ATOM 0 HG2 LYS A 119 78.814 -1.570 13.457 1.00 0.00 H new ATOM 0 HG3 LYS A 119 79.575 -0.059 13.915 1.00 0.00 H new ATOM 0 HD2 LYS A 119 80.212 -2.045 15.935 1.00 0.00 H new ATOM 0 HD3 LYS A 119 80.552 -2.736 14.362 1.00 0.00 H new ATOM 0 HE2 LYS A 119 81.520 -0.062 14.178 1.00 0.00 H new ATOM 0 HE3 LYS A 119 82.002 -0.595 15.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 83.602 -1.339 14.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 82.840 -2.678 14.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 82.373 -2.161 13.251 1.00 0.00 H new ATOM 1386 N PHE A 120 77.709 2.557 14.083 1.00 0.00 N ATOM 1387 CA PHE A 120 78.410 3.870 14.052 1.00 0.00 C ATOM 1388 C PHE A 120 77.542 4.904 13.333 1.00 0.00 C ATOM 1389 O PHE A 120 77.480 6.056 13.715 1.00 0.00 O ATOM 1390 CB PHE A 120 79.695 3.611 13.268 1.00 0.00 C ATOM 1391 CG PHE A 120 80.879 3.690 14.202 1.00 0.00 C ATOM 1392 CD1 PHE A 120 80.975 4.741 15.121 1.00 0.00 C ATOM 1393 CD2 PHE A 120 81.881 2.714 14.149 1.00 0.00 C ATOM 1394 CE1 PHE A 120 82.071 4.817 15.987 1.00 0.00 C ATOM 1395 CE2 PHE A 120 82.979 2.788 15.015 1.00 0.00 C ATOM 1396 CZ PHE A 120 83.073 3.841 15.935 1.00 0.00 C ATOM 0 H PHE A 120 77.002 2.427 13.359 1.00 0.00 H new ATOM 0 HA PHE A 120 78.614 4.259 15.049 1.00 0.00 H new ATOM 0 HB2 PHE A 120 79.655 2.629 12.797 1.00 0.00 H new ATOM 0 HB3 PHE A 120 79.800 4.344 12.468 1.00 0.00 H new ATOM 0 HD1 PHE A 120 80.202 5.494 15.162 1.00 0.00 H new ATOM 0 HD2 PHE A 120 81.807 1.903 13.440 1.00 0.00 H new ATOM 0 HE1 PHE A 120 82.144 5.629 16.696 1.00 0.00 H new ATOM 0 HE2 PHE A 120 83.752 2.035 14.974 1.00 0.00 H new ATOM 0 HZ PHE A 120 83.919 3.899 16.604 1.00 0.00 H new ATOM 1406 N GLY A 121 76.869 4.496 12.292 1.00 0.00 N ATOM 1407 CA GLY A 121 76.001 5.444 11.539 1.00 0.00 C ATOM 1408 C GLY A 121 75.565 4.790 10.227 1.00 0.00 C ATOM 1409 O GLY A 121 75.402 3.589 10.147 1.00 0.00 O ATOM 0 H GLY A 121 76.883 3.543 11.930 1.00 0.00 H new ATOM 0 HA2 GLY A 121 75.128 5.709 12.135 1.00 0.00 H new ATOM 0 HA3 GLY A 121 76.541 6.369 11.337 1.00 0.00 H new ATOM 1413 N TYR A 122 75.384 5.567 9.197 1.00 0.00 N ATOM 1414 CA TYR A 122 74.967 4.987 7.888 1.00 0.00 C ATOM 1415 C TYR A 122 76.191 4.851 6.981 1.00 0.00 C ATOM 1416 O TYR A 122 76.891 5.809 6.723 1.00 0.00 O ATOM 1417 CB TYR A 122 73.961 5.985 7.309 1.00 0.00 C ATOM 1418 CG TYR A 122 72.617 5.781 7.972 1.00 0.00 C ATOM 1419 CD1 TYR A 122 72.512 5.819 9.367 1.00 0.00 C ATOM 1420 CD2 TYR A 122 71.477 5.545 7.193 1.00 0.00 C ATOM 1421 CE1 TYR A 122 71.272 5.623 9.984 1.00 0.00 C ATOM 1422 CE2 TYR A 122 70.234 5.350 7.811 1.00 0.00 C ATOM 1423 CZ TYR A 122 70.132 5.389 9.205 1.00 0.00 C ATOM 1424 OH TYR A 122 68.908 5.196 9.814 1.00 0.00 O ATOM 0 H TYR A 122 75.507 6.580 9.204 1.00 0.00 H new ATOM 0 HA TYR A 122 74.526 3.995 7.985 1.00 0.00 H new ATOM 0 HB2 TYR A 122 74.309 7.005 7.472 1.00 0.00 H new ATOM 0 HB3 TYR A 122 73.873 5.846 6.231 1.00 0.00 H new ATOM 0 HD1 TYR A 122 73.390 6.000 9.969 1.00 0.00 H new ATOM 0 HD2 TYR A 122 71.556 5.513 6.116 1.00 0.00 H new ATOM 0 HE1 TYR A 122 71.194 5.652 11.061 1.00 0.00 H new ATOM 0 HE2 TYR A 122 69.355 5.170 7.210 1.00 0.00 H new ATOM 0 HH TYR A 122 68.222 5.048 9.130 1.00 0.00 H new ATOM 1434 N HIS A 123 76.467 3.666 6.513 1.00 0.00 N ATOM 1435 CA HIS A 123 77.662 3.474 5.644 1.00 0.00 C ATOM 1436 C HIS A 123 77.252 3.035 4.242 1.00 0.00 C ATOM 1437 O HIS A 123 76.447 2.147 4.088 1.00 0.00 O ATOM 1438 CB HIS A 123 78.478 2.348 6.298 1.00 0.00 C ATOM 1439 CG HIS A 123 78.490 2.469 7.804 1.00 0.00 C ATOM 1440 ND1 HIS A 123 79.665 2.358 8.534 1.00 0.00 N ATOM 1441 CD2 HIS A 123 77.494 2.663 8.733 1.00 0.00 C ATOM 1442 CE1 HIS A 123 79.349 2.486 9.835 1.00 0.00 C ATOM 1443 NE2 HIS A 123 78.041 2.674 10.013 1.00 0.00 N ATOM 0 H HIS A 123 75.919 2.825 6.694 1.00 0.00 H new ATOM 0 HA HIS A 123 78.224 4.403 5.551 1.00 0.00 H new ATOM 0 HB2 HIS A 123 78.059 1.383 6.014 1.00 0.00 H new ATOM 0 HB3 HIS A 123 79.501 2.375 5.923 1.00 0.00 H new ATOM 0 HD1 HIS A 123 80.599 2.207 8.153 1.00 0.00 H new ATOM 0 HD2 HIS A 123 76.446 2.788 8.504 1.00 0.00 H new ATOM 0 HE1 HIS A 123 80.069 2.442 10.639 1.00 0.00 H new ATOM 1451 N ILE A 124 77.838 3.607 3.219 1.00 0.00 N ATOM 1452 CA ILE A 124 77.501 3.158 1.837 1.00 0.00 C ATOM 1453 C ILE A 124 78.456 2.023 1.488 1.00 0.00 C ATOM 1454 O ILE A 124 79.641 2.231 1.303 1.00 0.00 O ATOM 1455 CB ILE A 124 77.726 4.359 0.905 1.00 0.00 C ATOM 1456 CG1 ILE A 124 76.690 5.454 1.198 1.00 0.00 C ATOM 1457 CG2 ILE A 124 77.579 3.901 -0.547 1.00 0.00 C ATOM 1458 CD1 ILE A 124 76.813 6.580 0.157 1.00 0.00 C ATOM 0 H ILE A 124 78.527 4.357 3.281 1.00 0.00 H new ATOM 0 HA ILE A 124 76.472 2.810 1.743 1.00 0.00 H new ATOM 0 HB ILE A 124 78.726 4.760 1.071 1.00 0.00 H new ATOM 0 HG12 ILE A 124 75.685 5.032 1.174 1.00 0.00 H new ATOM 0 HG13 ILE A 124 76.844 5.854 2.200 1.00 0.00 H new ATOM 0 HG21 ILE A 124 77.737 4.749 -1.214 1.00 0.00 H new ATOM 0 HG22 ILE A 124 78.317 3.128 -0.761 1.00 0.00 H new ATOM 0 HG23 ILE A 124 76.578 3.500 -0.702 1.00 0.00 H new ATOM 0 HD11 ILE A 124 76.076 7.354 0.370 1.00 0.00 H new ATOM 0 HD12 ILE A 124 77.814 7.010 0.202 1.00 0.00 H new ATOM 0 HD13 ILE A 124 76.637 6.175 -0.840 1.00 0.00 H new ATOM 1470 N ILE A 125 77.958 0.818 1.455 1.00 0.00 N ATOM 1471 CA ILE A 125 78.832 -0.347 1.177 1.00 0.00 C ATOM 1472 C ILE A 125 78.714 -0.803 -0.277 1.00 0.00 C ATOM 1473 O ILE A 125 77.659 -1.187 -0.740 1.00 0.00 O ATOM 1474 CB ILE A 125 78.310 -1.431 2.118 1.00 0.00 C ATOM 1475 CG1 ILE A 125 78.756 -1.127 3.548 1.00 0.00 C ATOM 1476 CG2 ILE A 125 78.854 -2.793 1.693 1.00 0.00 C ATOM 1477 CD1 ILE A 125 77.995 -2.031 4.520 1.00 0.00 C ATOM 0 H ILE A 125 76.975 0.593 1.610 1.00 0.00 H new ATOM 0 HA ILE A 125 79.886 -0.115 1.331 1.00 0.00 H new ATOM 0 HB ILE A 125 77.221 -1.449 2.073 1.00 0.00 H new ATOM 0 HG12 ILE A 125 79.829 -1.289 3.648 1.00 0.00 H new ATOM 0 HG13 ILE A 125 78.568 -0.080 3.785 1.00 0.00 H new ATOM 0 HG21 ILE A 125 78.478 -3.562 2.368 1.00 0.00 H new ATOM 0 HG22 ILE A 125 78.530 -3.013 0.676 1.00 0.00 H new ATOM 0 HG23 ILE A 125 79.943 -2.778 1.731 1.00 0.00 H new ATOM 0 HD11 ILE A 125 78.312 -1.816 5.541 1.00 0.00 H new ATOM 0 HD12 ILE A 125 76.925 -1.847 4.426 1.00 0.00 H new ATOM 0 HD13 ILE A 125 78.206 -3.075 4.287 1.00 0.00 H new ATOM 1489 N MET A 126 79.806 -0.796 -0.987 1.00 0.00 N ATOM 1490 CA MET A 126 79.786 -1.261 -2.397 1.00 0.00 C ATOM 1491 C MET A 126 80.770 -2.426 -2.527 1.00 0.00 C ATOM 1492 O MET A 126 81.958 -2.265 -2.342 1.00 0.00 O ATOM 1493 CB MET A 126 80.206 -0.032 -3.223 1.00 0.00 C ATOM 1494 CG MET A 126 81.238 -0.417 -4.289 1.00 0.00 C ATOM 1495 SD MET A 126 81.495 0.973 -5.423 1.00 0.00 S ATOM 1496 CE MET A 126 81.338 2.309 -4.212 1.00 0.00 C ATOM 0 H MET A 126 80.716 -0.486 -0.647 1.00 0.00 H new ATOM 0 HA MET A 126 78.818 -1.626 -2.739 1.00 0.00 H new ATOM 0 HB2 MET A 126 79.330 0.407 -3.701 1.00 0.00 H new ATOM 0 HB3 MET A 126 80.624 0.729 -2.564 1.00 0.00 H new ATOM 0 HG2 MET A 126 82.180 -0.690 -3.814 1.00 0.00 H new ATOM 0 HG3 MET A 126 80.895 -1.291 -4.842 1.00 0.00 H new ATOM 0 HE1 MET A 126 81.786 3.218 -4.613 1.00 0.00 H new ATOM 0 HE2 MET A 126 80.283 2.487 -4.001 1.00 0.00 H new ATOM 0 HE3 MET A 126 81.850 2.028 -3.292 1.00 0.00 H new ATOM 1506 N VAL A 127 80.282 -3.598 -2.824 1.00 0.00 N ATOM 1507 CA VAL A 127 81.183 -4.779 -2.931 1.00 0.00 C ATOM 1508 C VAL A 127 81.712 -4.919 -4.359 1.00 0.00 C ATOM 1509 O VAL A 127 81.055 -4.547 -5.310 1.00 0.00 O ATOM 1510 CB VAL A 127 80.292 -5.967 -2.569 1.00 0.00 C ATOM 1511 CG1 VAL A 127 80.891 -7.260 -3.128 1.00 0.00 C ATOM 1512 CG2 VAL A 127 80.180 -6.074 -1.046 1.00 0.00 C ATOM 0 H VAL A 127 79.295 -3.789 -2.998 1.00 0.00 H new ATOM 0 HA VAL A 127 82.056 -4.700 -2.283 1.00 0.00 H new ATOM 0 HB VAL A 127 79.302 -5.816 -3.000 1.00 0.00 H new ATOM 0 HG11 VAL A 127 80.250 -8.101 -2.865 1.00 0.00 H new ATOM 0 HG12 VAL A 127 80.967 -7.186 -4.213 1.00 0.00 H new ATOM 0 HG13 VAL A 127 81.883 -7.414 -2.704 1.00 0.00 H new ATOM 0 HG21 VAL A 127 79.545 -6.921 -0.786 1.00 0.00 H new ATOM 0 HG22 VAL A 127 81.172 -6.219 -0.618 1.00 0.00 H new ATOM 0 HG23 VAL A 127 79.744 -5.158 -0.648 1.00 0.00 H new ATOM 1522 N GLU A 128 82.894 -5.457 -4.526 1.00 0.00 N ATOM 1523 CA GLU A 128 83.429 -5.611 -5.898 1.00 0.00 C ATOM 1524 C GLU A 128 84.098 -6.977 -6.081 1.00 0.00 C ATOM 1525 O GLU A 128 85.275 -7.167 -5.873 1.00 0.00 O ATOM 1526 CB GLU A 128 84.446 -4.480 -6.063 1.00 0.00 C ATOM 1527 CG GLU A 128 84.221 -3.786 -7.409 1.00 0.00 C ATOM 1528 CD GLU A 128 84.292 -4.820 -8.536 1.00 0.00 C ATOM 1529 OE1 GLU A 128 83.481 -5.730 -8.530 1.00 0.00 O ATOM 1530 OE2 GLU A 128 85.157 -4.681 -9.386 1.00 0.00 O ATOM 0 H GLU A 128 83.500 -5.791 -3.776 1.00 0.00 H new ATOM 0 HA GLU A 128 82.638 -5.559 -6.646 1.00 0.00 H new ATOM 0 HB2 GLU A 128 84.343 -3.762 -5.249 1.00 0.00 H new ATOM 0 HB3 GLU A 128 85.460 -4.877 -6.011 1.00 0.00 H new ATOM 0 HG2 GLU A 128 83.250 -3.290 -7.417 1.00 0.00 H new ATOM 0 HG3 GLU A 128 84.975 -3.013 -7.562 1.00 0.00 H new ATOM 1537 N GLY A 129 83.330 -7.916 -6.472 1.00 0.00 N ATOM 1538 CA GLY A 129 83.855 -9.283 -6.721 1.00 0.00 C ATOM 1539 C GLY A 129 84.096 -9.987 -5.408 1.00 0.00 C ATOM 1540 O GLY A 129 84.811 -9.506 -4.552 1.00 0.00 O ATOM 0 H GLY A 129 82.330 -7.807 -6.639 1.00 0.00 H new ATOM 0 HA2 GLY A 129 83.145 -9.851 -7.323 1.00 0.00 H new ATOM 0 HA3 GLY A 129 84.783 -9.228 -7.290 1.00 0.00 H new ATOM 1544 N ARG A 130 83.513 -11.130 -5.235 1.00 0.00 N ATOM 1545 CA ARG A 130 83.730 -11.848 -3.965 1.00 0.00 C ATOM 1546 C ARG A 130 84.650 -13.046 -4.169 1.00 0.00 C ATOM 1547 O ARG A 130 85.010 -13.390 -5.277 1.00 0.00 O ATOM 1548 CB ARG A 130 82.349 -12.290 -3.497 1.00 0.00 C ATOM 1549 CG ARG A 130 81.572 -12.896 -4.668 1.00 0.00 C ATOM 1550 CD ARG A 130 80.325 -13.609 -4.142 1.00 0.00 C ATOM 1551 NE ARG A 130 79.280 -12.550 -4.080 1.00 0.00 N ATOM 1552 CZ ARG A 130 78.526 -12.439 -3.020 1.00 0.00 C ATOM 1553 NH1 ARG A 130 78.999 -11.877 -1.941 1.00 0.00 N ATOM 1554 NH2 ARG A 130 77.303 -12.891 -3.039 1.00 0.00 N ATOM 0 H ARG A 130 82.903 -11.593 -5.909 1.00 0.00 H new ATOM 0 HA ARG A 130 84.215 -11.213 -3.224 1.00 0.00 H new ATOM 0 HB2 ARG A 130 82.444 -13.022 -2.695 1.00 0.00 H new ATOM 0 HB3 ARG A 130 81.804 -11.439 -3.089 1.00 0.00 H new ATOM 0 HG2 ARG A 130 81.287 -12.114 -5.372 1.00 0.00 H new ATOM 0 HG3 ARG A 130 82.203 -13.599 -5.211 1.00 0.00 H new ATOM 0 HD2 ARG A 130 80.026 -14.422 -4.803 1.00 0.00 H new ATOM 0 HD3 ARG A 130 80.504 -14.046 -3.160 1.00 0.00 H new ATOM 0 HE ARG A 130 79.153 -11.912 -4.865 1.00 0.00 H new ATOM 0 HH11 ARG A 130 79.956 -11.525 -1.927 1.00 0.00 H new ATOM 0 HH12 ARG A 130 78.411 -11.789 -1.112 1.00 0.00 H new ATOM 0 HH21 ARG A 130 76.935 -13.331 -3.882 1.00 0.00 H new ATOM 0 HH22 ARG A 130 76.714 -12.804 -2.211 1.00 0.00 H new ATOM 1568 N LYS A 131 85.035 -13.679 -3.100 1.00 0.00 N ATOM 1569 CA LYS A 131 85.939 -14.859 -3.211 1.00 0.00 C ATOM 1570 C LYS A 131 87.305 -14.427 -3.750 1.00 0.00 C ATOM 1571 O LYS A 131 88.000 -13.715 -3.044 1.00 0.00 O ATOM 1572 CB LYS A 131 85.248 -15.803 -4.198 1.00 0.00 C ATOM 1573 CG LYS A 131 83.744 -15.847 -3.907 1.00 0.00 C ATOM 1574 CD LYS A 131 83.518 -15.998 -2.400 1.00 0.00 C ATOM 1575 CE LYS A 131 84.232 -17.257 -1.905 1.00 0.00 C ATOM 1576 NZ LYS A 131 83.702 -18.355 -2.762 1.00 0.00 N ATOM 1577 OXT LYS A 131 87.632 -14.814 -4.860 1.00 0.00 O ATOM 0 H LYS A 131 84.763 -13.431 -2.149 1.00 0.00 H new ATOM 0 HA LYS A 131 86.112 -15.337 -2.247 1.00 0.00 H new ATOM 0 HB2 LYS A 131 85.420 -15.465 -5.220 1.00 0.00 H new ATOM 0 HB3 LYS A 131 85.673 -16.803 -4.117 1.00 0.00 H new ATOM 0 HG2 LYS A 131 83.267 -14.936 -4.267 1.00 0.00 H new ATOM 0 HG3 LYS A 131 83.284 -16.680 -4.439 1.00 0.00 H new ATOM 0 HD2 LYS A 131 83.896 -15.121 -1.874 1.00 0.00 H new ATOM 0 HD3 LYS A 131 82.451 -16.063 -2.185 1.00 0.00 H new ATOM 0 HE2 LYS A 131 85.313 -17.164 -2.005 1.00 0.00 H new ATOM 0 HE3 LYS A 131 84.024 -17.442 -0.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 83.707 -19.247 -2.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 82.729 -18.130 -3.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 84.300 -18.455 -3.607 1.00 0.00 H new TER 1591 LYS A 131