USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 652 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 57 ASN :FLIP amide:sc= -0.099 F(o=-1.3,f=-0.099) USER MOD Set 1.2: A 67 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 35 SER OG : rot 180:sc= -0.207 USER MOD Set 2.2: A 36 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 25 SER OG : rot 137:sc= -2.2 USER MOD Set 3.2: A 27 SER OG : rot 180:sc= 0 USER MOD Set 3.3: A 28 ASN : amide:sc= -2.06 X(o=-4.3,f=-4.3!) USER MOD Single : A 23 MET CE :methyl -154:sc= -0.204 (180deg=-1.2) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot -166:sc= 0.0563 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 42 ASN :FLIP amide:sc= -0.141 F(o=-1,f=-0.14) USER MOD Single : A 43 ASN : amide:sc=-0.00212 K(o=-0.0021,f=-1.3) USER MOD Single : A 45 GLN : amide:sc= 0.0357 X(o=0.036,f=-0.21) USER MOD Single : A 52 ASN :FLIP amide:sc= 0.789 F(o=-0.82,f=0.79) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 163:sc= 1.22 (180deg=0.126) USER MOD Single : A 61 LYS NZ :NH3+ -111:sc= -1.15 (180deg=-3.32!) USER MOD Single : A 63 SER OG : rot -42:sc= 0.367 USER MOD Single : A 64 ASN : amide:sc=-2.47e-05 K(o=-2.5e-05,f=-1.1) USER MOD Single : A 66 TYR OH : rot 117:sc= -2.81! USER MOD Single : A 68 THR OG1 : rot 55:sc= 0.137 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN :FLIP amide:sc= -0.348 F(o=-2.6!,f=-0.35) USER MOD Single : A 83 THR OG1 : rot 79:sc= 0.149 USER MOD Single : A 84 LYS NZ :NH3+ -163:sc= -0.0626 (180deg=-0.55) USER MOD Single : A 85 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 HIS : no HD1:sc= -1.08 K(o=-1.1,f=-3.3!) USER MOD Single : A 100 HIS : no HD1:sc=-0.00046 K(o=-0.00046,f=-1.8) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 104 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 23 57.769 -18.905 -0.844 1.00 9.02 N ATOM 2 CA MET A 23 57.480 -17.579 -0.229 1.00 8.78 C ATOM 3 C MET A 23 58.792 -16.859 0.062 1.00 8.11 C ATOM 4 O MET A 23 59.714 -17.436 0.637 1.00 7.92 O ATOM 5 CB MET A 23 56.697 -17.781 1.071 1.00 9.30 C ATOM 6 CG MET A 23 55.338 -18.410 0.756 1.00 10.00 C ATOM 7 SD MET A 23 54.318 -18.446 2.251 1.00 10.68 S ATOM 8 CE MET A 23 55.410 -19.478 3.260 1.00 11.41 C ATOM 0 HA MET A 23 56.885 -16.977 -0.916 1.00 8.78 H new ATOM 0 HB2 MET A 23 57.258 -18.423 1.750 1.00 9.30 H new ATOM 0 HB3 MET A 23 56.559 -16.826 1.577 1.00 9.30 H new ATOM 0 HG2 MET A 23 54.835 -17.839 -0.025 1.00 10.00 H new ATOM 0 HG3 MET A 23 55.475 -19.422 0.374 1.00 10.00 H new ATOM 0 HE1 MET A 23 54.822 -20.003 4.012 1.00 11.41 H new ATOM 0 HE2 MET A 23 55.916 -20.204 2.623 1.00 11.41 H new ATOM 0 HE3 MET A 23 56.151 -18.849 3.753 1.00 11.41 H new ATOM 20 N ALA A 24 58.869 -15.593 -0.339 1.00 8.05 N ATOM 21 CA ALA A 24 60.071 -14.799 -0.115 1.00 7.74 C ATOM 22 C ALA A 24 59.875 -13.855 1.067 1.00 6.97 C ATOM 23 O ALA A 24 58.788 -13.314 1.264 1.00 6.94 O ATOM 24 CB ALA A 24 60.401 -13.987 -1.368 1.00 8.27 C ATOM 0 H ALA A 24 58.117 -15.098 -0.818 1.00 8.05 H new ATOM 0 HA ALA A 24 60.896 -15.476 0.107 1.00 7.74 H new ATOM 0 HB1 ALA A 24 61.300 -13.397 -1.193 1.00 8.27 H new ATOM 0 HB2 ALA A 24 60.569 -14.663 -2.206 1.00 8.27 H new ATOM 0 HB3 ALA A 24 59.569 -13.321 -1.600 1.00 8.27 H new ATOM 30 N SER A 25 60.933 -13.660 1.852 1.00 6.66 N ATOM 31 CA SER A 25 60.863 -12.777 3.014 1.00 6.24 C ATOM 32 C SER A 25 61.786 -11.575 2.840 1.00 5.45 C ATOM 33 O SER A 25 62.926 -11.711 2.397 1.00 5.11 O ATOM 34 CB SER A 25 61.258 -13.544 4.276 1.00 6.82 C ATOM 35 OG SER A 25 62.635 -13.885 4.205 1.00 6.97 O ATOM 0 H SER A 25 61.843 -14.098 1.706 1.00 6.66 H new ATOM 0 HA SER A 25 59.838 -12.419 3.108 1.00 6.24 H new ATOM 0 HB2 SER A 25 61.067 -12.936 5.160 1.00 6.82 H new ATOM 0 HB3 SER A 25 60.653 -14.445 4.372 1.00 6.82 H new ATOM 0 HG SER A 25 63.057 -13.724 5.075 1.00 6.97 H new ATOM 41 N GLU A 26 61.278 -10.398 3.193 1.00 5.55 N ATOM 42 CA GLU A 26 62.067 -9.173 3.117 1.00 5.28 C ATOM 43 C GLU A 26 63.209 -9.173 4.135 1.00 4.53 C ATOM 44 O GLU A 26 64.269 -8.602 3.884 1.00 4.32 O ATOM 45 CB GLU A 26 61.166 -7.962 3.365 1.00 6.07 C ATOM 46 CG GLU A 26 60.113 -7.869 2.255 1.00 6.65 C ATOM 47 CD GLU A 26 59.233 -6.624 2.407 1.00 7.59 C ATOM 48 OE1 GLU A 26 59.301 -5.966 3.435 1.00 7.84 O ATOM 49 OE2 GLU A 26 58.493 -6.343 1.479 1.00 8.27 O ATOM 0 H GLU A 26 60.326 -10.267 3.534 1.00 5.55 H new ATOM 0 HA GLU A 26 62.502 -9.119 2.119 1.00 5.28 H new ATOM 0 HB2 GLU A 26 60.679 -8.051 4.336 1.00 6.07 H new ATOM 0 HB3 GLU A 26 61.763 -7.051 3.391 1.00 6.07 H new ATOM 0 HG2 GLU A 26 60.609 -7.847 1.285 1.00 6.65 H new ATOM 0 HG3 GLU A 26 59.487 -8.761 2.273 1.00 6.65 H new ATOM 56 N SER A 27 62.985 -9.801 5.288 1.00 4.51 N ATOM 57 CA SER A 27 63.990 -9.827 6.348 1.00 4.24 C ATOM 58 C SER A 27 65.318 -10.429 5.875 1.00 3.26 C ATOM 59 O SER A 27 66.370 -10.111 6.429 1.00 3.52 O ATOM 60 CB SER A 27 63.465 -10.634 7.535 1.00 4.94 C ATOM 61 OG SER A 27 63.355 -12.000 7.157 1.00 5.46 O ATOM 0 H SER A 27 62.121 -10.296 5.511 1.00 4.51 H new ATOM 0 HA SER A 27 64.179 -8.795 6.642 1.00 4.24 H new ATOM 0 HB2 SER A 27 64.139 -10.532 8.386 1.00 4.94 H new ATOM 0 HB3 SER A 27 62.494 -10.252 7.850 1.00 4.94 H new ATOM 0 HG SER A 27 63.020 -12.523 7.915 1.00 5.46 H new ATOM 67 N ASN A 28 65.276 -11.292 4.862 1.00 2.48 N ATOM 68 CA ASN A 28 66.494 -11.934 4.366 1.00 1.96 C ATOM 69 C ASN A 28 67.553 -10.910 3.951 1.00 1.30 C ATOM 70 O ASN A 28 68.750 -11.192 4.024 1.00 1.85 O ATOM 71 CB ASN A 28 66.164 -12.825 3.166 1.00 2.32 C ATOM 72 CG ASN A 28 65.290 -14.003 3.591 1.00 3.21 C ATOM 73 OD1 ASN A 28 65.201 -14.325 4.777 1.00 3.70 O ATOM 74 ND2 ASN A 28 64.638 -14.675 2.682 1.00 3.91 N ATOM 0 H ASN A 28 64.423 -11.561 4.372 1.00 2.48 H new ATOM 0 HA ASN A 28 66.899 -12.533 5.182 1.00 1.96 H new ATOM 0 HB2 ASN A 28 65.649 -12.240 2.404 1.00 2.32 H new ATOM 0 HB3 ASN A 28 67.086 -13.194 2.716 1.00 2.32 H new ATOM 0 HD21 ASN A 28 64.055 -15.467 2.953 1.00 3.91 H new ATOM 0 HD22 ASN A 28 64.712 -14.409 1.700 1.00 3.91 H new ATOM 81 N GLY A 29 67.121 -9.727 3.519 1.00 0.90 N ATOM 82 CA GLY A 29 68.055 -8.692 3.093 1.00 0.33 C ATOM 83 C GLY A 29 68.879 -8.179 4.269 1.00 0.27 C ATOM 84 O GLY A 29 68.337 -7.857 5.327 1.00 0.30 O ATOM 0 H GLY A 29 66.137 -9.464 3.456 1.00 0.90 H new ATOM 0 HA2 GLY A 29 68.719 -9.090 2.326 1.00 0.33 H new ATOM 0 HA3 GLY A 29 67.506 -7.866 2.642 1.00 0.33 H new ATOM 88 N ARG A 30 70.192 -8.108 4.076 1.00 0.21 N ATOM 89 CA ARG A 30 71.082 -7.614 5.122 1.00 0.22 C ATOM 90 C ARG A 30 70.706 -6.187 5.507 1.00 0.17 C ATOM 91 O ARG A 30 70.229 -5.426 4.667 1.00 0.13 O ATOM 92 CB ARG A 30 72.533 -7.651 4.639 1.00 0.23 C ATOM 93 CG ARG A 30 72.941 -9.097 4.348 1.00 0.30 C ATOM 94 CD ARG A 30 74.420 -9.142 3.960 1.00 0.90 C ATOM 95 NE ARG A 30 74.778 -10.480 3.480 1.00 1.33 N ATOM 96 CZ ARG A 30 75.999 -10.801 3.026 1.00 2.00 C ATOM 97 NH1 ARG A 30 76.979 -9.930 2.977 1.00 2.59 N ATOM 98 NH2 ARG A 30 76.219 -12.021 2.618 1.00 2.59 N ATOM 0 H ARG A 30 70.661 -8.383 3.213 1.00 0.21 H new ATOM 0 HA ARG A 30 70.979 -8.256 5.996 1.00 0.22 H new ATOM 0 HB2 ARG A 30 72.643 -7.044 3.741 1.00 0.23 H new ATOM 0 HB3 ARG A 30 73.190 -7.223 5.396 1.00 0.23 H new ATOM 0 HG2 ARG A 30 72.765 -9.719 5.226 1.00 0.30 H new ATOM 0 HG3 ARG A 30 72.330 -9.503 3.542 1.00 0.30 H new ATOM 0 HD2 ARG A 30 74.622 -8.403 3.184 1.00 0.90 H new ATOM 0 HD3 ARG A 30 75.037 -8.879 4.819 1.00 0.90 H new ATOM 0 HE ARG A 30 74.061 -11.205 3.492 1.00 1.33 H new ATOM 0 HH11 ARG A 30 76.826 -8.972 3.291 1.00 2.59 H new ATOM 0 HH12 ARG A 30 77.894 -10.211 2.625 1.00 2.59 H new ATOM 0 HH21 ARG A 30 75.469 -12.712 2.648 1.00 2.59 H new ATOM 0 HH22 ARG A 30 77.141 -12.284 2.269 1.00 2.59 H new ATOM 112 N LYS A 31 70.880 -5.833 6.778 1.00 0.21 N ATOM 113 CA LYS A 31 70.642 -4.459 7.208 1.00 0.19 C ATOM 114 C LYS A 31 71.855 -3.595 6.876 1.00 0.17 C ATOM 115 O LYS A 31 72.993 -3.999 7.117 1.00 0.20 O ATOM 116 CB LYS A 31 70.363 -4.412 8.711 1.00 0.23 C ATOM 117 CG LYS A 31 69.071 -5.174 9.014 1.00 1.25 C ATOM 118 CD LYS A 31 68.733 -5.040 10.501 1.00 1.62 C ATOM 119 CE LYS A 31 67.511 -5.901 10.827 1.00 2.67 C ATOM 120 NZ LYS A 31 66.276 -5.204 10.367 1.00 3.35 N ATOM 0 H LYS A 31 71.180 -6.468 7.518 1.00 0.21 H new ATOM 0 HA LYS A 31 69.771 -4.072 6.680 1.00 0.19 H new ATOM 0 HB2 LYS A 31 71.195 -4.853 9.260 1.00 0.23 H new ATOM 0 HB3 LYS A 31 70.274 -3.378 9.043 1.00 0.23 H new ATOM 0 HG2 LYS A 31 68.254 -4.781 8.408 1.00 1.25 H new ATOM 0 HG3 LYS A 31 69.186 -6.225 8.750 1.00 1.25 H new ATOM 0 HD2 LYS A 31 69.583 -5.352 11.107 1.00 1.62 H new ATOM 0 HD3 LYS A 31 68.532 -3.997 10.747 1.00 1.62 H new ATOM 0 HE2 LYS A 31 67.596 -6.872 10.340 1.00 2.67 H new ATOM 0 HE3 LYS A 31 67.459 -6.086 11.900 1.00 2.67 H new ATOM 0 HZ1 LYS A 31 65.445 -5.788 10.588 1.00 3.35 H new ATOM 0 HZ2 LYS A 31 66.194 -4.287 10.852 1.00 3.35 H new ATOM 0 HZ3 LYS A 31 66.327 -5.049 9.340 1.00 3.35 H new ATOM 134 N VAL A 32 71.616 -2.407 6.323 1.00 0.14 N ATOM 135 CA VAL A 32 72.715 -1.513 5.955 1.00 0.14 C ATOM 136 C VAL A 32 72.426 -0.072 6.375 1.00 0.14 C ATOM 137 O VAL A 32 71.332 0.450 6.157 1.00 0.14 O ATOM 138 CB VAL A 32 72.953 -1.584 4.440 1.00 0.13 C ATOM 139 CG1 VAL A 32 74.150 -0.711 4.046 1.00 0.15 C ATOM 140 CG2 VAL A 32 73.252 -3.031 4.036 1.00 0.14 C ATOM 0 H VAL A 32 70.684 -2.044 6.122 1.00 0.14 H new ATOM 0 HA VAL A 32 73.612 -1.839 6.481 1.00 0.14 H new ATOM 0 HB VAL A 32 72.058 -1.225 3.932 1.00 0.13 H new ATOM 0 HG11 VAL A 32 74.306 -0.772 2.969 1.00 0.15 H new ATOM 0 HG12 VAL A 32 73.953 0.324 4.326 1.00 0.15 H new ATOM 0 HG13 VAL A 32 75.043 -1.063 4.562 1.00 0.15 H new ATOM 0 HG21 VAL A 32 73.421 -3.081 2.960 1.00 0.14 H new ATOM 0 HG22 VAL A 32 74.143 -3.378 4.560 1.00 0.14 H new ATOM 0 HG23 VAL A 32 72.405 -3.665 4.300 1.00 0.14 H new ATOM 150 N ASP A 33 73.427 0.557 6.984 1.00 0.15 N ATOM 151 CA ASP A 33 73.349 1.965 7.356 1.00 0.16 C ATOM 152 C ASP A 33 73.497 2.855 6.122 1.00 0.16 C ATOM 153 O ASP A 33 74.196 2.502 5.173 1.00 0.16 O ATOM 154 CB ASP A 33 74.456 2.286 8.366 1.00 0.18 C ATOM 155 CG ASP A 33 74.269 1.446 9.624 1.00 1.00 C ATOM 156 OD1 ASP A 33 74.813 0.355 9.671 1.00 1.54 O ATOM 157 OD2 ASP A 33 73.585 1.906 10.524 1.00 1.55 O ATOM 0 H ASP A 33 74.309 0.108 7.232 1.00 0.15 H new ATOM 0 HA ASP A 33 72.375 2.159 7.806 1.00 0.16 H new ATOM 0 HB2 ASP A 33 75.432 2.084 7.925 1.00 0.18 H new ATOM 0 HB3 ASP A 33 74.433 3.346 8.619 1.00 0.18 H new ATOM 162 N TYR A 34 72.844 4.016 6.134 1.00 0.17 N ATOM 163 CA TYR A 34 72.919 4.937 5.002 1.00 0.18 C ATOM 164 C TYR A 34 74.371 5.270 4.655 1.00 0.20 C ATOM 165 O TYR A 34 74.724 5.366 3.479 1.00 0.20 O ATOM 166 CB TYR A 34 72.150 6.223 5.335 1.00 0.20 C ATOM 167 CG TYR A 34 72.231 7.300 4.273 1.00 0.23 C ATOM 168 CD1 TYR A 34 72.186 6.960 2.916 1.00 0.25 C ATOM 169 CD2 TYR A 34 72.358 8.644 4.651 1.00 0.29 C ATOM 170 CE1 TYR A 34 72.267 7.959 1.940 1.00 0.30 C ATOM 171 CE2 TYR A 34 72.437 9.644 3.674 1.00 0.35 C ATOM 172 CZ TYR A 34 72.391 9.301 2.317 1.00 0.34 C ATOM 173 OH TYR A 34 72.473 10.279 1.346 1.00 0.41 O ATOM 0 H TYR A 34 72.262 4.339 6.907 1.00 0.17 H new ATOM 0 HA TYR A 34 72.469 4.455 4.134 1.00 0.18 H new ATOM 0 HB2 TYR A 34 71.102 5.972 5.500 1.00 0.20 H new ATOM 0 HB3 TYR A 34 72.532 6.627 6.273 1.00 0.20 H new ATOM 0 HD1 TYR A 34 72.089 5.925 2.622 1.00 0.25 H new ATOM 0 HD2 TYR A 34 72.395 8.909 5.697 1.00 0.29 H new ATOM 0 HE1 TYR A 34 72.234 7.694 0.894 1.00 0.30 H new ATOM 0 HE2 TYR A 34 72.533 10.679 3.967 1.00 0.35 H new ATOM 0 HH TYR A 34 72.779 11.117 1.751 1.00 0.41 H new ATOM 183 N SER A 35 75.217 5.412 5.672 1.00 0.21 N ATOM 184 CA SER A 35 76.620 5.742 5.435 1.00 0.23 C ATOM 185 C SER A 35 77.288 4.663 4.587 1.00 0.22 C ATOM 186 O SER A 35 78.015 4.959 3.636 1.00 0.23 O ATOM 187 CB SER A 35 77.356 5.870 6.769 1.00 0.24 C ATOM 188 OG SER A 35 77.432 4.592 7.386 1.00 1.27 O ATOM 0 H SER A 35 74.962 5.306 6.654 1.00 0.21 H new ATOM 0 HA SER A 35 76.666 6.690 4.900 1.00 0.23 H new ATOM 0 HB2 SER A 35 78.357 6.270 6.608 1.00 0.24 H new ATOM 0 HB3 SER A 35 76.834 6.571 7.420 1.00 0.24 H new ATOM 0 HG SER A 35 77.905 4.669 8.241 1.00 1.27 H new ATOM 194 N THR A 36 76.996 3.406 4.905 1.00 0.20 N ATOM 195 CA THR A 36 77.601 2.292 4.183 1.00 0.19 C ATOM 196 C THR A 36 77.152 2.295 2.724 1.00 0.18 C ATOM 197 O THR A 36 77.952 2.060 1.819 1.00 0.19 O ATOM 198 CB THR A 36 77.228 0.965 4.846 1.00 0.18 C ATOM 199 OG1 THR A 36 77.582 1.010 6.220 1.00 0.20 O ATOM 200 CG2 THR A 36 77.976 -0.182 4.163 1.00 0.18 C ATOM 0 H THR A 36 76.352 3.135 5.648 1.00 0.20 H new ATOM 0 HA THR A 36 78.684 2.408 4.214 1.00 0.19 H new ATOM 0 HB THR A 36 76.155 0.801 4.750 1.00 0.18 H new ATOM 0 HG1 THR A 36 77.342 0.161 6.648 1.00 0.20 H new ATOM 0 HG21 THR A 36 77.708 -1.125 4.638 1.00 0.18 H new ATOM 0 HG22 THR A 36 77.704 -0.217 3.108 1.00 0.18 H new ATOM 0 HG23 THR A 36 79.050 -0.022 4.255 1.00 0.18 H new ATOM 208 N PHE A 37 75.874 2.589 2.497 1.00 0.17 N ATOM 209 CA PHE A 37 75.348 2.631 1.137 1.00 0.16 C ATOM 210 C PHE A 37 76.108 3.651 0.290 1.00 0.19 C ATOM 211 O PHE A 37 76.469 3.363 -0.849 1.00 0.18 O ATOM 212 CB PHE A 37 73.856 2.986 1.169 1.00 0.16 C ATOM 213 CG PHE A 37 73.228 3.146 -0.199 1.00 0.16 C ATOM 214 CD1 PHE A 37 72.670 2.043 -0.856 1.00 0.14 C ATOM 215 CD2 PHE A 37 73.223 4.404 -0.814 1.00 0.18 C ATOM 216 CE1 PHE A 37 72.103 2.203 -2.127 1.00 0.15 C ATOM 217 CE2 PHE A 37 72.657 4.562 -2.084 1.00 0.19 C ATOM 218 CZ PHE A 37 72.097 3.460 -2.742 1.00 0.17 C ATOM 0 H PHE A 37 75.193 2.799 3.226 1.00 0.17 H new ATOM 0 HA PHE A 37 75.478 1.647 0.686 1.00 0.16 H new ATOM 0 HB2 PHE A 37 73.320 2.209 1.714 1.00 0.16 H new ATOM 0 HB3 PHE A 37 73.726 3.913 1.727 1.00 0.16 H new ATOM 0 HD1 PHE A 37 72.677 1.071 -0.384 1.00 0.14 H new ATOM 0 HD2 PHE A 37 73.657 5.254 -0.307 1.00 0.18 H new ATOM 0 HE1 PHE A 37 71.669 1.354 -2.634 1.00 0.15 H new ATOM 0 HE2 PHE A 37 72.652 5.533 -2.556 1.00 0.19 H new ATOM 0 HZ PHE A 37 71.661 3.580 -3.723 1.00 0.17 H new ATOM 228 N LEU A 38 76.371 4.828 0.853 1.00 0.22 N ATOM 229 CA LEU A 38 77.050 5.875 0.099 1.00 0.25 C ATOM 230 C LEU A 38 78.430 5.412 -0.350 1.00 0.25 C ATOM 231 O LEU A 38 78.835 5.660 -1.485 1.00 0.26 O ATOM 232 CB LEU A 38 77.177 7.137 0.955 1.00 0.28 C ATOM 233 CG LEU A 38 75.781 7.645 1.328 1.00 0.28 C ATOM 234 CD1 LEU A 38 75.903 8.795 2.327 1.00 0.33 C ATOM 235 CD2 LEU A 38 75.063 8.145 0.072 1.00 0.30 C ATOM 0 H LEU A 38 76.129 5.077 1.812 1.00 0.22 H new ATOM 0 HA LEU A 38 76.457 6.099 -0.788 1.00 0.25 H new ATOM 0 HB2 LEU A 38 77.750 6.921 1.857 1.00 0.28 H new ATOM 0 HB3 LEU A 38 77.721 7.907 0.408 1.00 0.28 H new ATOM 0 HG LEU A 38 75.212 6.830 1.775 1.00 0.28 H new ATOM 0 HD11 LEU A 38 74.909 9.155 2.591 1.00 0.33 H new ATOM 0 HD12 LEU A 38 76.412 8.445 3.225 1.00 0.33 H new ATOM 0 HD13 LEU A 38 76.476 9.607 1.879 1.00 0.33 H new ATOM 0 HD21 LEU A 38 74.070 8.506 0.340 1.00 0.30 H new ATOM 0 HD22 LEU A 38 75.636 8.957 -0.376 1.00 0.30 H new ATOM 0 HD23 LEU A 38 74.971 7.328 -0.644 1.00 0.30 H new ATOM 247 N GLN A 39 79.138 4.715 0.533 1.00 0.25 N ATOM 248 CA GLN A 39 80.465 4.213 0.191 1.00 0.26 C ATOM 249 C GLN A 39 80.388 3.239 -0.981 1.00 0.24 C ATOM 250 O GLN A 39 81.181 3.314 -1.922 1.00 0.26 O ATOM 251 CB GLN A 39 81.096 3.519 1.400 1.00 0.27 C ATOM 252 CG GLN A 39 82.543 3.141 1.076 1.00 0.29 C ATOM 253 CD GLN A 39 83.125 2.293 2.203 1.00 0.94 C ATOM 254 OE1 GLN A 39 82.570 1.249 2.545 1.00 1.46 O ATOM 255 NE2 GLN A 39 84.216 2.683 2.803 1.00 1.49 N ATOM 0 H GLN A 39 78.822 4.487 1.476 1.00 0.25 H new ATOM 0 HA GLN A 39 81.085 5.061 -0.100 1.00 0.26 H new ATOM 0 HB2 GLN A 39 81.067 4.179 2.267 1.00 0.27 H new ATOM 0 HB3 GLN A 39 80.526 2.627 1.659 1.00 0.27 H new ATOM 0 HG2 GLN A 39 82.582 2.589 0.137 1.00 0.29 H new ATOM 0 HG3 GLN A 39 83.142 4.042 0.941 1.00 0.29 H new ATOM 0 HE21 GLN A 39 84.674 3.549 2.517 1.00 1.49 H new ATOM 0 HE22 GLN A 39 84.611 2.122 3.558 1.00 1.49 H new ATOM 264 N GLU A 40 79.402 2.350 -0.945 1.00 0.21 N ATOM 265 CA GLU A 40 79.252 1.355 -2.003 1.00 0.19 C ATOM 266 C GLU A 40 78.980 2.023 -3.348 1.00 0.20 C ATOM 267 O GLU A 40 79.468 1.571 -4.383 1.00 0.21 O ATOM 268 CB GLU A 40 78.109 0.397 -1.662 1.00 0.17 C ATOM 269 CG GLU A 40 78.463 -0.381 -0.389 1.00 1.02 C ATOM 270 CD GLU A 40 77.399 -1.428 -0.046 1.00 1.06 C ATOM 271 OE1 GLU A 40 76.344 -1.430 -0.661 1.00 0.36 O ATOM 272 OE2 GLU A 40 77.661 -2.225 0.840 1.00 1.82 O ATOM 0 H GLU A 40 78.702 2.296 -0.205 1.00 0.21 H new ATOM 0 HA GLU A 40 80.185 0.796 -2.078 1.00 0.19 H new ATOM 0 HB2 GLU A 40 77.184 0.954 -1.516 1.00 0.17 H new ATOM 0 HB3 GLU A 40 77.939 -0.293 -2.488 1.00 0.17 H new ATOM 0 HG2 GLU A 40 79.427 -0.872 -0.520 1.00 1.02 H new ATOM 0 HG3 GLU A 40 78.570 0.314 0.444 1.00 1.02 H new ATOM 279 N VAL A 41 78.176 3.082 -3.330 1.00 0.21 N ATOM 280 CA VAL A 41 77.889 3.831 -4.547 1.00 0.23 C ATOM 281 C VAL A 41 79.190 4.372 -5.142 1.00 0.26 C ATOM 282 O VAL A 41 79.450 4.210 -6.332 1.00 0.28 O ATOM 283 CB VAL A 41 76.922 4.982 -4.227 1.00 0.25 C ATOM 284 CG1 VAL A 41 76.619 5.795 -5.490 1.00 0.29 C ATOM 285 CG2 VAL A 41 75.606 4.417 -3.682 1.00 0.23 C ATOM 0 H VAL A 41 77.715 3.438 -2.493 1.00 0.21 H new ATOM 0 HA VAL A 41 77.421 3.172 -5.279 1.00 0.23 H new ATOM 0 HB VAL A 41 77.391 5.627 -3.484 1.00 0.25 H new ATOM 0 HG11 VAL A 41 75.933 6.606 -5.245 1.00 0.29 H new ATOM 0 HG12 VAL A 41 77.545 6.211 -5.886 1.00 0.29 H new ATOM 0 HG13 VAL A 41 76.163 5.147 -6.239 1.00 0.29 H new ATOM 0 HG21 VAL A 41 74.924 5.237 -3.457 1.00 0.23 H new ATOM 0 HG22 VAL A 41 75.154 3.763 -4.428 1.00 0.23 H new ATOM 0 HG23 VAL A 41 75.803 3.848 -2.773 1.00 0.23 H new ATOM 295 N ASN A 42 80.021 4.976 -4.301 1.00 0.28 N ATOM 296 CA ASN A 42 81.308 5.494 -4.755 1.00 0.31 C ATOM 297 C ASN A 42 82.167 4.392 -5.382 1.00 0.32 C ATOM 298 O ASN A 42 82.930 4.645 -6.314 1.00 0.35 O ATOM 299 CB ASN A 42 82.051 6.126 -3.576 1.00 0.32 C ATOM 300 CG ASN A 42 81.269 7.329 -3.059 1.00 0.33 C ATOM 301 OD1 ASN A 42 80.930 7.389 -1.799 1.00 0.35 O flip ATOM 302 ND2 ASN A 42 80.949 8.238 -3.826 1.00 0.33 N flip ATOM 0 H ASN A 42 79.830 5.119 -3.309 1.00 0.28 H new ATOM 0 HA ASN A 42 81.120 6.247 -5.520 1.00 0.31 H new ATOM 0 HB2 ASN A 42 82.178 5.393 -2.779 1.00 0.32 H new ATOM 0 HB3 ASN A 42 83.049 6.435 -3.887 1.00 0.32 H new ATOM 0 HD21 ASN A 42 81.213 8.192 -4.810 1.00 0.33 H new ATOM 0 HD22 ASN A 42 80.420 9.037 -3.477 1.00 0.33 H new ATOM 309 N ASN A 43 82.038 3.171 -4.867 1.00 0.29 N ATOM 310 CA ASN A 43 82.805 2.034 -5.380 1.00 0.30 C ATOM 311 C ASN A 43 82.145 1.346 -6.585 1.00 0.29 C ATOM 312 O ASN A 43 82.596 0.280 -7.000 1.00 0.31 O ATOM 313 CB ASN A 43 83.012 1.008 -4.266 1.00 0.30 C ATOM 314 CG ASN A 43 83.854 1.604 -3.141 1.00 0.33 C ATOM 315 OD1 ASN A 43 84.580 2.576 -3.350 1.00 0.36 O ATOM 316 ND2 ASN A 43 83.797 1.075 -1.949 1.00 0.36 N ATOM 0 H ASN A 43 81.411 2.942 -4.096 1.00 0.29 H new ATOM 0 HA ASN A 43 83.759 2.434 -5.724 1.00 0.30 H new ATOM 0 HB2 ASN A 43 82.047 0.687 -3.875 1.00 0.30 H new ATOM 0 HB3 ASN A 43 83.504 0.122 -4.666 1.00 0.30 H new ATOM 0 HD21 ASN A 43 84.354 1.467 -1.190 1.00 0.36 H new ATOM 0 HD22 ASN A 43 83.195 0.270 -1.777 1.00 0.36 H new ATOM 323 N ASP A 44 81.079 1.928 -7.135 1.00 0.28 N ATOM 324 CA ASP A 44 80.386 1.343 -8.283 1.00 0.29 C ATOM 325 C ASP A 44 80.043 -0.130 -8.053 1.00 0.26 C ATOM 326 O ASP A 44 80.062 -0.935 -8.984 1.00 0.28 O ATOM 327 CB ASP A 44 81.257 1.482 -9.534 1.00 0.35 C ATOM 328 CG ASP A 44 80.469 1.090 -10.783 1.00 0.40 C ATOM 329 OD1 ASP A 44 79.262 1.276 -10.791 1.00 0.90 O ATOM 330 OD2 ASP A 44 81.088 0.606 -11.717 1.00 1.24 O ATOM 0 H ASP A 44 80.676 2.805 -6.804 1.00 0.28 H new ATOM 0 HA ASP A 44 79.449 1.884 -8.418 1.00 0.29 H new ATOM 0 HB2 ASP A 44 81.609 2.510 -9.627 1.00 0.35 H new ATOM 0 HB3 ASP A 44 82.140 0.850 -9.441 1.00 0.35 H new ATOM 335 N GLN A 45 79.723 -0.479 -6.811 1.00 0.23 N ATOM 336 CA GLN A 45 79.297 -1.843 -6.496 1.00 0.22 C ATOM 337 C GLN A 45 77.778 -2.023 -6.604 1.00 0.17 C ATOM 338 O GLN A 45 77.298 -3.144 -6.777 1.00 0.16 O ATOM 339 CB GLN A 45 79.769 -2.228 -5.090 1.00 0.30 C ATOM 340 CG GLN A 45 81.300 -2.199 -5.030 1.00 0.43 C ATOM 341 CD GLN A 45 81.893 -3.208 -6.011 1.00 0.53 C ATOM 342 OE1 GLN A 45 81.571 -4.395 -5.953 1.00 0.73 O ATOM 343 NE2 GLN A 45 82.728 -2.800 -6.928 1.00 0.87 N ATOM 0 H GLN A 45 79.749 0.154 -6.012 1.00 0.23 H new ATOM 0 HA GLN A 45 79.754 -2.501 -7.234 1.00 0.22 H new ATOM 0 HB2 GLN A 45 79.354 -1.538 -4.355 1.00 0.30 H new ATOM 0 HB3 GLN A 45 79.405 -3.223 -4.834 1.00 0.30 H new ATOM 0 HG2 GLN A 45 81.660 -1.198 -5.267 1.00 0.43 H new ATOM 0 HG3 GLN A 45 81.635 -2.427 -4.018 1.00 0.43 H new ATOM 0 HE21 GLN A 45 82.994 -1.816 -6.975 1.00 0.87 H new ATOM 0 HE22 GLN A 45 83.115 -3.465 -7.598 1.00 0.87 H new ATOM 352 N VAL A 46 77.017 -0.931 -6.507 1.00 0.17 N ATOM 353 CA VAL A 46 75.560 -1.019 -6.551 1.00 0.15 C ATOM 354 C VAL A 46 75.074 -1.139 -7.994 1.00 0.14 C ATOM 355 O VAL A 46 75.602 -0.487 -8.896 1.00 0.16 O ATOM 356 CB VAL A 46 74.932 0.215 -5.887 1.00 0.17 C ATOM 357 CG1 VAL A 46 73.408 0.069 -5.847 1.00 0.17 C ATOM 358 CG2 VAL A 46 75.454 0.355 -4.454 1.00 0.20 C ATOM 0 H VAL A 46 77.383 0.015 -6.399 1.00 0.17 H new ATOM 0 HA VAL A 46 75.253 -1.910 -6.004 1.00 0.15 H new ATOM 0 HB VAL A 46 75.200 1.099 -6.466 1.00 0.17 H new ATOM 0 HG11 VAL A 46 72.971 0.948 -5.374 1.00 0.17 H new ATOM 0 HG12 VAL A 46 73.025 -0.026 -6.863 1.00 0.17 H new ATOM 0 HG13 VAL A 46 73.143 -0.820 -5.275 1.00 0.17 H new ATOM 0 HG21 VAL A 46 75.005 1.232 -3.987 1.00 0.20 H new ATOM 0 HG22 VAL A 46 75.191 -0.535 -3.882 1.00 0.20 H new ATOM 0 HG23 VAL A 46 76.538 0.468 -4.471 1.00 0.20 H new ATOM 368 N ARG A 47 74.064 -1.979 -8.199 1.00 0.14 N ATOM 369 CA ARG A 47 73.505 -2.191 -9.528 1.00 0.18 C ATOM 370 C ARG A 47 72.188 -1.435 -9.681 1.00 0.14 C ATOM 371 O ARG A 47 71.979 -0.702 -10.650 1.00 0.15 O ATOM 372 CB ARG A 47 73.239 -3.686 -9.718 1.00 0.29 C ATOM 373 CG ARG A 47 72.773 -3.965 -11.147 1.00 0.53 C ATOM 374 CD ARG A 47 72.469 -5.457 -11.293 1.00 0.46 C ATOM 375 NE ARG A 47 71.258 -5.800 -10.540 1.00 1.52 N ATOM 376 CZ ARG A 47 70.016 -5.592 -11.003 1.00 2.09 C ATOM 377 NH1 ARG A 47 69.788 -5.061 -12.180 1.00 2.21 N ATOM 378 NH2 ARG A 47 69.001 -5.930 -10.256 1.00 3.13 N ATOM 0 H ARG A 47 73.617 -2.523 -7.461 1.00 0.14 H new ATOM 0 HA ARG A 47 74.213 -1.827 -10.273 1.00 0.18 H new ATOM 0 HB2 ARG A 47 74.145 -4.253 -9.507 1.00 0.29 H new ATOM 0 HB3 ARG A 47 72.481 -4.020 -9.009 1.00 0.29 H new ATOM 0 HG2 ARG A 47 71.884 -3.376 -11.374 1.00 0.53 H new ATOM 0 HG3 ARG A 47 73.543 -3.667 -11.858 1.00 0.53 H new ATOM 0 HD2 ARG A 47 72.336 -5.708 -12.345 1.00 0.46 H new ATOM 0 HD3 ARG A 47 73.312 -6.045 -10.929 1.00 0.46 H new ATOM 0 HE ARG A 47 71.366 -6.219 -9.616 1.00 1.52 H new ATOM 0 HH11 ARG A 47 70.569 -4.791 -12.778 1.00 2.21 H new ATOM 0 HH12 ARG A 47 68.829 -4.918 -12.498 1.00 2.21 H new ATOM 0 HH21 ARG A 47 69.159 -6.344 -9.338 1.00 3.13 H new ATOM 0 HH22 ARG A 47 68.049 -5.780 -10.590 1.00 3.13 H new ATOM 392 N GLU A 48 71.315 -1.607 -8.693 1.00 0.11 N ATOM 393 CA GLU A 48 69.977 -1.029 -8.750 1.00 0.11 C ATOM 394 C GLU A 48 69.551 -0.488 -7.389 1.00 0.11 C ATOM 395 O GLU A 48 69.827 -1.099 -6.358 1.00 0.10 O ATOM 396 CB GLU A 48 68.985 -2.104 -9.204 1.00 0.12 C ATOM 397 CG GLU A 48 67.594 -1.487 -9.393 1.00 0.15 C ATOM 398 CD GLU A 48 66.545 -2.540 -9.769 1.00 0.19 C ATOM 399 OE1 GLU A 48 66.875 -3.714 -9.847 1.00 0.19 O ATOM 400 OE2 GLU A 48 65.408 -2.148 -9.976 1.00 0.22 O ATOM 0 H GLU A 48 71.509 -2.140 -7.846 1.00 0.11 H new ATOM 0 HA GLU A 48 69.988 -0.200 -9.458 1.00 0.11 H new ATOM 0 HB2 GLU A 48 69.323 -2.552 -10.138 1.00 0.12 H new ATOM 0 HB3 GLU A 48 68.940 -2.904 -8.465 1.00 0.12 H new ATOM 0 HG2 GLU A 48 67.292 -0.986 -8.473 1.00 0.15 H new ATOM 0 HG3 GLU A 48 67.638 -0.725 -10.171 1.00 0.15 H new ATOM 407 N ALA A 49 68.846 0.641 -7.397 1.00 0.12 N ATOM 408 CA ALA A 49 68.307 1.210 -6.165 1.00 0.12 C ATOM 409 C ALA A 49 66.851 1.633 -6.353 1.00 0.12 C ATOM 410 O ALA A 49 66.539 2.514 -7.156 1.00 0.13 O ATOM 411 CB ALA A 49 69.142 2.420 -5.740 1.00 0.14 C ATOM 0 H ALA A 49 68.636 1.177 -8.239 1.00 0.12 H new ATOM 0 HA ALA A 49 68.350 0.446 -5.389 1.00 0.12 H new ATOM 0 HB1 ALA A 49 68.734 2.839 -4.820 1.00 0.14 H new ATOM 0 HB2 ALA A 49 70.173 2.109 -5.571 1.00 0.14 H new ATOM 0 HB3 ALA A 49 69.115 3.175 -6.526 1.00 0.14 H new ATOM 417 N ARG A 50 65.958 0.972 -5.623 1.00 0.11 N ATOM 418 CA ARG A 50 64.546 1.337 -5.627 1.00 0.11 C ATOM 419 C ARG A 50 64.243 2.278 -4.464 1.00 0.11 C ATOM 420 O ARG A 50 64.643 2.012 -3.332 1.00 0.12 O ATOM 421 CB ARG A 50 63.693 0.076 -5.484 1.00 0.11 C ATOM 422 CG ARG A 50 63.857 -0.805 -6.724 1.00 0.14 C ATOM 423 CD ARG A 50 62.926 -2.015 -6.619 1.00 0.15 C ATOM 424 NE ARG A 50 63.209 -2.966 -7.697 1.00 1.34 N ATOM 425 CZ ARG A 50 62.357 -3.932 -8.075 1.00 1.97 C ATOM 426 NH1 ARG A 50 61.193 -4.104 -7.496 1.00 2.07 N ATOM 427 NH2 ARG A 50 62.700 -4.729 -9.050 1.00 3.08 N ATOM 0 H ARG A 50 66.187 0.181 -5.021 1.00 0.11 H new ATOM 0 HA ARG A 50 64.314 1.839 -6.566 1.00 0.11 H new ATOM 0 HB2 ARG A 50 63.991 -0.476 -4.593 1.00 0.11 H new ATOM 0 HB3 ARG A 50 62.645 0.347 -5.356 1.00 0.11 H new ATOM 0 HG2 ARG A 50 63.626 -0.233 -7.623 1.00 0.14 H new ATOM 0 HG3 ARG A 50 64.892 -1.136 -6.814 1.00 0.14 H new ATOM 0 HD2 ARG A 50 63.057 -2.501 -5.652 1.00 0.15 H new ATOM 0 HD3 ARG A 50 61.887 -1.690 -6.675 1.00 0.15 H new ATOM 0 HE ARG A 50 64.101 -2.890 -8.186 1.00 1.34 H new ATOM 0 HH11 ARG A 50 60.909 -3.492 -6.731 1.00 2.07 H new ATOM 0 HH12 ARG A 50 60.572 -4.849 -7.811 1.00 2.07 H new ATOM 0 HH21 ARG A 50 63.602 -4.612 -9.511 1.00 3.08 H new ATOM 0 HH22 ARG A 50 62.066 -5.469 -9.351 1.00 3.08 H new ATOM 441 N ILE A 51 63.483 3.336 -4.731 1.00 0.12 N ATOM 442 CA ILE A 51 63.129 4.303 -3.695 1.00 0.13 C ATOM 443 C ILE A 51 61.648 4.191 -3.331 1.00 0.14 C ATOM 444 O ILE A 51 60.776 4.297 -4.193 1.00 0.19 O ATOM 445 CB ILE A 51 63.438 5.723 -4.195 1.00 0.17 C ATOM 446 CG1 ILE A 51 64.922 5.828 -4.563 1.00 0.19 C ATOM 447 CG2 ILE A 51 63.119 6.756 -3.109 1.00 0.20 C ATOM 448 CD1 ILE A 51 65.187 7.164 -5.260 1.00 0.26 C ATOM 0 H ILE A 51 63.101 3.546 -5.653 1.00 0.12 H new ATOM 0 HA ILE A 51 63.718 4.091 -2.802 1.00 0.13 H new ATOM 0 HB ILE A 51 62.821 5.923 -5.071 1.00 0.17 H new ATOM 0 HG12 ILE A 51 65.536 5.747 -3.666 1.00 0.19 H new ATOM 0 HG13 ILE A 51 65.204 5.003 -5.218 1.00 0.19 H new ATOM 0 HG21 ILE A 51 63.344 7.756 -3.481 1.00 0.20 H new ATOM 0 HG22 ILE A 51 62.062 6.695 -2.848 1.00 0.20 H new ATOM 0 HG23 ILE A 51 63.723 6.553 -2.225 1.00 0.20 H new ATOM 0 HD11 ILE A 51 66.243 7.235 -5.520 1.00 0.26 H new ATOM 0 HD12 ILE A 51 64.585 7.227 -6.166 1.00 0.26 H new ATOM 0 HD13 ILE A 51 64.922 7.982 -4.591 1.00 0.26 H new ATOM 460 N ASN A 52 61.383 4.028 -2.038 1.00 0.13 N ATOM 461 CA ASN A 52 60.018 4.004 -1.526 1.00 0.17 C ATOM 462 C ASN A 52 59.963 4.736 -0.190 1.00 0.18 C ATOM 463 O ASN A 52 60.339 4.186 0.847 1.00 0.20 O ATOM 464 CB ASN A 52 59.553 2.558 -1.339 1.00 0.23 C ATOM 465 CG ASN A 52 58.053 2.521 -1.066 1.00 0.33 C ATOM 466 OD1 ASN A 52 57.621 2.111 0.095 1.00 1.11 O flip ATOM 467 ND2 ASN A 52 57.254 2.875 -1.932 1.00 0.90 N flip ATOM 0 H ASN A 52 62.101 3.910 -1.323 1.00 0.13 H new ATOM 0 HA ASN A 52 59.360 4.499 -2.241 1.00 0.17 H new ATOM 0 HB2 ASN A 52 59.783 1.976 -2.231 1.00 0.23 H new ATOM 0 HB3 ASN A 52 60.093 2.098 -0.511 1.00 0.23 H new ATOM 0 HD21 ASN A 52 57.594 3.195 -2.839 1.00 0.90 H new ATOM 0 HD22 ASN A 52 56.252 2.848 -1.743 1.00 0.90 H new ATOM 474 N GLY A 53 59.528 5.992 -0.221 1.00 0.24 N ATOM 475 CA GLY A 53 59.474 6.794 0.997 1.00 0.29 C ATOM 476 C GLY A 53 60.872 6.973 1.581 1.00 0.25 C ATOM 477 O GLY A 53 61.810 7.336 0.873 1.00 0.26 O ATOM 0 H GLY A 53 59.212 6.472 -1.064 1.00 0.24 H new ATOM 0 HA2 GLY A 53 59.037 7.768 0.779 1.00 0.29 H new ATOM 0 HA3 GLY A 53 58.827 6.311 1.729 1.00 0.29 H new ATOM 481 N ARG A 54 61.002 6.715 2.880 1.00 0.24 N ATOM 482 CA ARG A 54 62.294 6.838 3.555 1.00 0.23 C ATOM 483 C ARG A 54 63.201 5.618 3.325 1.00 0.18 C ATOM 484 O ARG A 54 64.397 5.680 3.613 1.00 0.18 O ATOM 485 CB ARG A 54 62.078 7.023 5.058 1.00 0.29 C ATOM 486 CG ARG A 54 63.349 7.587 5.700 1.00 0.38 C ATOM 487 CD ARG A 54 63.134 7.773 7.203 1.00 0.62 C ATOM 488 NE ARG A 54 63.067 6.467 7.864 1.00 0.97 N ATOM 489 CZ ARG A 54 61.922 5.813 8.111 1.00 1.57 C ATOM 490 NH1 ARG A 54 60.754 6.275 7.734 1.00 1.55 N ATOM 491 NH2 ARG A 54 61.973 4.667 8.733 1.00 2.40 N ATOM 0 H ARG A 54 60.235 6.421 3.484 1.00 0.24 H new ATOM 0 HA ARG A 54 62.793 7.708 3.128 1.00 0.23 H new ATOM 0 HB2 ARG A 54 61.241 7.698 5.234 1.00 0.29 H new ATOM 0 HB3 ARG A 54 61.820 6.069 5.518 1.00 0.29 H new ATOM 0 HG2 ARG A 54 64.186 6.912 5.524 1.00 0.38 H new ATOM 0 HG3 ARG A 54 63.607 8.541 5.240 1.00 0.38 H new ATOM 0 HD2 ARG A 54 63.948 8.362 7.625 1.00 0.62 H new ATOM 0 HD3 ARG A 54 62.213 8.328 7.381 1.00 0.62 H new ATOM 0 HE ARG A 54 63.942 6.030 8.153 1.00 0.97 H new ATOM 0 HH11 ARG A 54 60.694 7.162 7.234 1.00 1.55 H new ATOM 0 HH12 ARG A 54 59.906 5.747 7.941 1.00 1.55 H new ATOM 0 HH21 ARG A 54 62.873 4.283 9.022 1.00 2.40 H new ATOM 0 HH22 ARG A 54 61.113 4.155 8.930 1.00 2.40 H new ATOM 505 N GLU A 55 62.650 4.508 2.828 1.00 0.16 N ATOM 506 CA GLU A 55 63.422 3.278 2.693 1.00 0.15 C ATOM 507 C GLU A 55 63.849 3.054 1.247 1.00 0.12 C ATOM 508 O GLU A 55 63.101 3.343 0.316 1.00 0.12 O ATOM 509 CB GLU A 55 62.576 2.089 3.157 1.00 0.20 C ATOM 510 CG GLU A 55 62.204 2.270 4.635 1.00 0.72 C ATOM 511 CD GLU A 55 61.426 1.067 5.177 1.00 0.94 C ATOM 512 OE1 GLU A 55 61.021 0.216 4.397 1.00 1.11 O ATOM 513 OE2 GLU A 55 61.240 1.016 6.381 1.00 1.41 O ATOM 0 H GLU A 55 61.681 4.439 2.516 1.00 0.16 H new ATOM 0 HA GLU A 55 64.316 3.367 3.310 1.00 0.15 H new ATOM 0 HB2 GLU A 55 61.673 2.013 2.551 1.00 0.20 H new ATOM 0 HB3 GLU A 55 63.130 1.160 3.022 1.00 0.20 H new ATOM 0 HG2 GLU A 55 63.111 2.412 5.223 1.00 0.72 H new ATOM 0 HG3 GLU A 55 61.604 3.173 4.751 1.00 0.72 H new ATOM 520 N ILE A 56 65.064 2.550 1.066 1.00 0.12 N ATOM 521 CA ILE A 56 65.552 2.184 -0.261 1.00 0.11 C ATOM 522 C ILE A 56 65.899 0.698 -0.272 1.00 0.10 C ATOM 523 O ILE A 56 66.588 0.214 0.626 1.00 0.12 O ATOM 524 CB ILE A 56 66.802 2.999 -0.616 1.00 0.14 C ATOM 525 CG1 ILE A 56 66.491 4.495 -0.518 1.00 0.16 C ATOM 526 CG2 ILE A 56 67.246 2.677 -2.047 1.00 0.14 C ATOM 527 CD1 ILE A 56 67.785 5.303 -0.656 1.00 0.19 C ATOM 0 H ILE A 56 65.730 2.385 1.820 1.00 0.12 H new ATOM 0 HA ILE A 56 64.775 2.394 -0.996 1.00 0.11 H new ATOM 0 HB ILE A 56 67.599 2.741 0.082 1.00 0.14 H new ATOM 0 HG12 ILE A 56 65.787 4.782 -1.299 1.00 0.16 H new ATOM 0 HG13 ILE A 56 66.014 4.715 0.437 1.00 0.16 H new ATOM 0 HG21 ILE A 56 68.134 3.259 -2.292 1.00 0.14 H new ATOM 0 HG22 ILE A 56 67.476 1.614 -2.126 1.00 0.14 H new ATOM 0 HG23 ILE A 56 66.444 2.928 -2.742 1.00 0.14 H new ATOM 0 HD11 ILE A 56 67.559 6.367 -0.586 1.00 0.19 H new ATOM 0 HD12 ILE A 56 68.474 5.025 0.141 1.00 0.19 H new ATOM 0 HD13 ILE A 56 68.244 5.093 -1.622 1.00 0.19 H new ATOM 539 N ASN A 57 65.428 -0.022 -1.285 1.00 0.10 N ATOM 540 CA ASN A 57 65.788 -1.429 -1.435 1.00 0.09 C ATOM 541 C ASN A 57 66.857 -1.543 -2.514 1.00 0.09 C ATOM 542 O ASN A 57 66.695 -1.007 -3.606 1.00 0.12 O ATOM 543 CB ASN A 57 64.560 -2.254 -1.826 1.00 0.12 C ATOM 544 CG ASN A 57 63.483 -2.131 -0.754 1.00 0.24 C ATOM 545 OD1 ASN A 57 63.809 -2.258 0.503 1.00 1.18 O flip ATOM 546 ND2 ASN A 57 62.314 -1.913 -1.070 1.00 0.73 N flip ATOM 0 H ASN A 57 64.804 0.339 -2.006 1.00 0.10 H new ATOM 0 HA ASN A 57 66.169 -1.813 -0.489 1.00 0.09 H new ATOM 0 HB2 ASN A 57 64.171 -1.910 -2.784 1.00 0.12 H new ATOM 0 HB3 ASN A 57 64.840 -3.300 -1.953 1.00 0.12 H new ATOM 0 HD21 ASN A 57 62.061 -1.814 -2.053 1.00 0.73 H new ATOM 0 HD22 ASN A 57 61.597 -1.831 -0.349 1.00 0.73 H new ATOM 553 N VAL A 58 67.948 -2.241 -2.217 1.00 0.08 N ATOM 554 CA VAL A 58 69.126 -2.199 -3.084 1.00 0.08 C ATOM 555 C VAL A 58 69.566 -3.603 -3.492 1.00 0.09 C ATOM 556 O VAL A 58 69.563 -4.530 -2.682 1.00 0.08 O ATOM 557 CB VAL A 58 70.284 -1.498 -2.361 1.00 0.09 C ATOM 558 CG1 VAL A 58 71.469 -1.330 -3.320 1.00 0.10 C ATOM 559 CG2 VAL A 58 69.852 -0.115 -1.855 1.00 0.10 C ATOM 0 H VAL A 58 68.044 -2.836 -1.394 1.00 0.08 H new ATOM 0 HA VAL A 58 68.858 -1.644 -3.983 1.00 0.08 H new ATOM 0 HB VAL A 58 70.576 -2.113 -1.510 1.00 0.09 H new ATOM 0 HG11 VAL A 58 72.288 -0.832 -2.802 1.00 0.10 H new ATOM 0 HG12 VAL A 58 71.800 -2.310 -3.665 1.00 0.10 H new ATOM 0 HG13 VAL A 58 71.162 -0.729 -4.176 1.00 0.10 H new ATOM 0 HG21 VAL A 58 70.688 0.364 -1.346 1.00 0.10 H new ATOM 0 HG22 VAL A 58 69.541 0.500 -2.699 1.00 0.10 H new ATOM 0 HG23 VAL A 58 69.019 -0.226 -1.160 1.00 0.10 H new ATOM 569 N THR A 59 69.957 -3.733 -4.757 1.00 0.09 N ATOM 570 CA THR A 59 70.556 -4.965 -5.255 1.00 0.10 C ATOM 571 C THR A 59 71.994 -4.691 -5.690 1.00 0.10 C ATOM 572 O THR A 59 72.250 -3.764 -6.458 1.00 0.10 O ATOM 573 CB THR A 59 69.743 -5.488 -6.447 1.00 0.10 C ATOM 574 OG1 THR A 59 68.401 -5.707 -6.038 1.00 0.12 O ATOM 575 CG2 THR A 59 70.337 -6.801 -6.972 1.00 0.12 C ATOM 0 H THR A 59 69.869 -2.996 -5.457 1.00 0.09 H new ATOM 0 HA THR A 59 70.555 -5.716 -4.465 1.00 0.10 H new ATOM 0 HB THR A 59 69.774 -4.747 -7.246 1.00 0.10 H new ATOM 0 HG1 THR A 59 67.878 -6.040 -6.797 1.00 0.12 H new ATOM 0 HG21 THR A 59 69.746 -7.155 -7.817 1.00 0.12 H new ATOM 0 HG22 THR A 59 71.365 -6.633 -7.293 1.00 0.12 H new ATOM 0 HG23 THR A 59 70.322 -7.549 -6.180 1.00 0.12 H new ATOM 583 N LYS A 60 72.928 -5.489 -5.183 1.00 0.12 N ATOM 584 CA LYS A 60 74.323 -5.374 -5.593 1.00 0.13 C ATOM 585 C LYS A 60 74.575 -6.183 -6.859 1.00 0.14 C ATOM 586 O LYS A 60 73.859 -7.143 -7.143 1.00 0.16 O ATOM 587 CB LYS A 60 75.244 -5.895 -4.486 1.00 0.18 C ATOM 588 CG LYS A 60 75.143 -4.995 -3.252 1.00 0.21 C ATOM 589 CD LYS A 60 76.155 -5.466 -2.205 1.00 0.32 C ATOM 590 CE LYS A 60 75.996 -4.643 -0.926 1.00 0.91 C ATOM 591 NZ LYS A 60 77.257 -4.708 -0.135 1.00 1.40 N ATOM 0 H LYS A 60 72.746 -6.217 -4.492 1.00 0.12 H new ATOM 0 HA LYS A 60 74.533 -4.322 -5.785 1.00 0.13 H new ATOM 0 HB2 LYS A 60 74.969 -6.917 -4.224 1.00 0.18 H new ATOM 0 HB3 LYS A 60 76.274 -5.923 -4.842 1.00 0.18 H new ATOM 0 HG2 LYS A 60 75.340 -3.958 -3.525 1.00 0.21 H new ATOM 0 HG3 LYS A 60 74.134 -5.031 -2.842 1.00 0.21 H new ATOM 0 HD2 LYS A 60 76.004 -6.524 -1.989 1.00 0.32 H new ATOM 0 HD3 LYS A 60 77.169 -5.362 -2.592 1.00 0.32 H new ATOM 0 HE2 LYS A 60 75.762 -3.608 -1.174 1.00 0.91 H new ATOM 0 HE3 LYS A 60 75.163 -5.025 -0.336 1.00 0.91 H new ATOM 0 HZ1 LYS A 60 77.266 -3.942 0.568 1.00 1.40 H new ATOM 0 HZ2 LYS A 60 77.315 -5.625 0.352 1.00 1.40 H new ATOM 0 HZ3 LYS A 60 78.072 -4.602 -0.772 1.00 1.40 H new ATOM 605 N LYS A 61 75.616 -5.819 -7.600 1.00 0.15 N ATOM 606 CA LYS A 61 75.976 -6.568 -8.802 1.00 0.19 C ATOM 607 C LYS A 61 76.170 -8.059 -8.505 1.00 0.22 C ATOM 608 O LYS A 61 75.934 -8.901 -9.372 1.00 0.26 O ATOM 609 CB LYS A 61 77.260 -6.000 -9.411 1.00 0.22 C ATOM 610 CG LYS A 61 77.038 -4.538 -9.807 1.00 1.23 C ATOM 611 CD LYS A 61 78.216 -4.047 -10.653 1.00 1.34 C ATOM 612 CE LYS A 61 79.494 -4.042 -9.811 1.00 2.29 C ATOM 613 NZ LYS A 61 80.125 -5.390 -9.858 1.00 2.80 N ATOM 0 H LYS A 61 76.219 -5.022 -7.395 1.00 0.15 H new ATOM 0 HA LYS A 61 75.153 -6.466 -9.510 1.00 0.19 H new ATOM 0 HB2 LYS A 61 78.078 -6.073 -8.694 1.00 0.22 H new ATOM 0 HB3 LYS A 61 77.549 -6.584 -10.285 1.00 0.22 H new ATOM 0 HG2 LYS A 61 76.109 -4.441 -10.369 1.00 1.23 H new ATOM 0 HG3 LYS A 61 76.937 -3.921 -8.914 1.00 1.23 H new ATOM 0 HD2 LYS A 61 78.345 -4.692 -11.522 1.00 1.34 H new ATOM 0 HD3 LYS A 61 78.013 -3.044 -11.028 1.00 1.34 H new ATOM 0 HE2 LYS A 61 80.188 -3.291 -10.188 1.00 2.29 H new ATOM 0 HE3 LYS A 61 79.262 -3.773 -8.780 1.00 2.29 H new ATOM 0 HZ1 LYS A 61 80.047 -5.842 -8.925 1.00 2.80 H new ATOM 0 HZ2 LYS A 61 79.641 -5.975 -10.568 1.00 2.80 H new ATOM 0 HZ3 LYS A 61 81.129 -5.295 -10.114 1.00 2.80 H new ATOM 627 N ASP A 62 76.597 -8.387 -7.286 1.00 0.24 N ATOM 628 CA ASP A 62 76.866 -9.779 -6.922 1.00 0.30 C ATOM 629 C ASP A 62 75.599 -10.547 -6.520 1.00 0.29 C ATOM 630 O ASP A 62 75.692 -11.608 -5.902 1.00 0.33 O ATOM 631 CB ASP A 62 77.869 -9.813 -5.767 1.00 0.34 C ATOM 632 CG ASP A 62 78.518 -11.191 -5.671 1.00 0.43 C ATOM 633 OD1 ASP A 62 79.542 -11.386 -6.305 1.00 1.25 O ATOM 634 OD2 ASP A 62 77.983 -12.031 -4.967 1.00 1.01 O ATOM 0 H ASP A 62 76.763 -7.714 -6.538 1.00 0.24 H new ATOM 0 HA ASP A 62 77.273 -10.272 -7.805 1.00 0.30 H new ATOM 0 HB2 ASP A 62 78.635 -9.052 -5.919 1.00 0.34 H new ATOM 0 HB3 ASP A 62 77.364 -9.575 -4.831 1.00 0.34 H new ATOM 639 N SER A 63 74.416 -10.028 -6.863 1.00 0.26 N ATOM 640 CA SER A 63 73.143 -10.701 -6.571 1.00 0.27 C ATOM 641 C SER A 63 72.762 -10.666 -5.084 1.00 0.24 C ATOM 642 O SER A 63 71.677 -11.126 -4.724 1.00 0.26 O ATOM 643 CB SER A 63 73.168 -12.157 -7.050 1.00 0.34 C ATOM 644 OG SER A 63 71.834 -12.642 -7.135 1.00 1.27 O ATOM 0 H SER A 63 74.312 -9.136 -7.347 1.00 0.26 H new ATOM 0 HA SER A 63 72.385 -10.141 -7.118 1.00 0.27 H new ATOM 0 HB2 SER A 63 73.655 -12.224 -8.023 1.00 0.34 H new ATOM 0 HB3 SER A 63 73.748 -12.770 -6.360 1.00 0.34 H new ATOM 0 HG SER A 63 71.326 -12.340 -6.354 1.00 1.27 H new ATOM 650 N ASN A 64 73.628 -10.134 -4.220 1.00 0.22 N ATOM 651 CA ASN A 64 73.296 -10.002 -2.804 1.00 0.21 C ATOM 652 C ASN A 64 72.289 -8.874 -2.611 1.00 0.15 C ATOM 653 O ASN A 64 72.419 -7.814 -3.220 1.00 0.13 O ATOM 654 CB ASN A 64 74.562 -9.702 -2.000 1.00 0.24 C ATOM 655 CG ASN A 64 75.548 -10.859 -2.127 1.00 0.32 C ATOM 656 OD1 ASN A 64 75.140 -12.004 -2.320 1.00 0.92 O ATOM 657 ND2 ASN A 64 76.829 -10.627 -2.030 1.00 0.99 N ATOM 0 H ASN A 64 74.555 -9.791 -4.474 1.00 0.22 H new ATOM 0 HA ASN A 64 72.860 -10.937 -2.453 1.00 0.21 H new ATOM 0 HB2 ASN A 64 75.021 -8.781 -2.360 1.00 0.24 H new ATOM 0 HB3 ASN A 64 74.308 -9.543 -0.952 1.00 0.24 H new ATOM 0 HD21 ASN A 64 77.494 -11.396 -2.114 1.00 0.99 H new ATOM 0 HD22 ASN A 64 77.165 -9.677 -1.870 1.00 0.99 H new ATOM 664 N ARG A 65 71.284 -9.099 -1.769 1.00 0.12 N ATOM 665 CA ARG A 65 70.245 -8.094 -1.550 1.00 0.10 C ATOM 666 C ARG A 65 70.311 -7.529 -0.134 1.00 0.08 C ATOM 667 O ARG A 65 70.624 -8.237 0.826 1.00 0.09 O ATOM 668 CB ARG A 65 68.867 -8.723 -1.773 1.00 0.13 C ATOM 669 CG ARG A 65 68.744 -9.185 -3.227 1.00 0.18 C ATOM 670 CD ARG A 65 67.333 -9.720 -3.474 1.00 0.23 C ATOM 671 NE ARG A 65 67.253 -10.350 -4.795 1.00 1.18 N ATOM 672 CZ ARG A 65 67.865 -11.503 -5.103 1.00 1.74 C ATOM 673 NH1 ARG A 65 68.590 -12.164 -4.232 1.00 2.04 N ATOM 674 NH2 ARG A 65 67.733 -11.985 -6.308 1.00 2.65 N ATOM 0 H ARG A 65 71.166 -9.958 -1.232 1.00 0.12 H new ATOM 0 HA ARG A 65 70.408 -7.280 -2.257 1.00 0.10 H new ATOM 0 HB2 ARG A 65 68.728 -9.568 -1.099 1.00 0.13 H new ATOM 0 HB3 ARG A 65 68.084 -8.000 -1.543 1.00 0.13 H new ATOM 0 HG2 ARG A 65 68.953 -8.355 -3.902 1.00 0.18 H new ATOM 0 HG3 ARG A 65 69.481 -9.961 -3.437 1.00 0.18 H new ATOM 0 HD2 ARG A 65 67.070 -10.443 -2.702 1.00 0.23 H new ATOM 0 HD3 ARG A 65 66.611 -8.906 -3.407 1.00 0.23 H new ATOM 0 HE ARG A 65 66.703 -9.887 -5.518 1.00 1.18 H new ATOM 0 HH11 ARG A 65 68.703 -11.804 -3.284 1.00 2.04 H new ATOM 0 HH12 ARG A 65 69.041 -13.038 -4.502 1.00 2.04 H new ATOM 0 HH21 ARG A 65 67.172 -11.486 -6.998 1.00 2.65 H new ATOM 0 HH22 ARG A 65 68.191 -12.861 -6.560 1.00 2.65 H new ATOM 688 N TYR A 66 69.993 -6.244 -0.008 1.00 0.07 N ATOM 689 CA TYR A 66 69.967 -5.605 1.301 1.00 0.07 C ATOM 690 C TYR A 66 69.006 -4.418 1.317 1.00 0.08 C ATOM 691 O TYR A 66 68.570 -3.940 0.272 1.00 0.07 O ATOM 692 CB TYR A 66 71.377 -5.160 1.699 1.00 0.08 C ATOM 693 CG TYR A 66 71.920 -3.984 0.918 1.00 0.08 C ATOM 694 CD1 TYR A 66 71.664 -2.677 1.351 1.00 0.09 C ATOM 695 CD2 TYR A 66 72.703 -4.202 -0.222 1.00 0.10 C ATOM 696 CE1 TYR A 66 72.191 -1.589 0.645 1.00 0.10 C ATOM 697 CE2 TYR A 66 73.226 -3.114 -0.929 1.00 0.11 C ATOM 698 CZ TYR A 66 72.971 -1.807 -0.494 1.00 0.10 C ATOM 699 OH TYR A 66 73.496 -0.736 -1.187 1.00 0.12 O ATOM 0 H TYR A 66 69.752 -5.632 -0.787 1.00 0.07 H new ATOM 0 HA TYR A 66 69.609 -6.334 2.028 1.00 0.07 H new ATOM 0 HB2 TYR A 66 71.375 -4.904 2.758 1.00 0.08 H new ATOM 0 HB3 TYR A 66 72.056 -6.004 1.576 1.00 0.08 H new ATOM 0 HD1 TYR A 66 71.060 -2.508 2.230 1.00 0.09 H new ATOM 0 HD2 TYR A 66 72.903 -5.210 -0.555 1.00 0.10 H new ATOM 0 HE1 TYR A 66 71.995 -0.581 0.980 1.00 0.10 H new ATOM 0 HE2 TYR A 66 73.827 -3.282 -1.811 1.00 0.11 H new ATOM 0 HH TYR A 66 74.475 -0.775 -1.156 1.00 0.12 H new ATOM 709 N THR A 67 68.682 -3.952 2.519 1.00 0.09 N ATOM 710 CA THR A 67 67.792 -2.808 2.686 1.00 0.10 C ATOM 711 C THR A 67 68.475 -1.734 3.526 1.00 0.10 C ATOM 712 O THR A 67 69.108 -2.033 4.538 1.00 0.12 O ATOM 713 CB THR A 67 66.497 -3.249 3.371 1.00 0.14 C ATOM 714 OG1 THR A 67 65.919 -4.322 2.640 1.00 0.14 O ATOM 715 CG2 THR A 67 65.515 -2.077 3.418 1.00 0.18 C ATOM 0 H THR A 67 69.023 -4.350 3.394 1.00 0.09 H new ATOM 0 HA THR A 67 67.557 -2.399 1.703 1.00 0.10 H new ATOM 0 HB THR A 67 66.718 -3.576 4.387 1.00 0.14 H new ATOM 0 HG1 THR A 67 65.090 -4.607 3.078 1.00 0.14 H new ATOM 0 HG21 THR A 67 64.593 -2.394 3.906 1.00 0.18 H new ATOM 0 HG22 THR A 67 65.958 -1.253 3.978 1.00 0.18 H new ATOM 0 HG23 THR A 67 65.293 -1.747 2.403 1.00 0.18 H new ATOM 723 N THR A 68 68.347 -0.480 3.103 1.00 0.11 N ATOM 724 CA THR A 68 68.975 0.628 3.823 1.00 0.12 C ATOM 725 C THR A 68 67.954 1.710 4.162 1.00 0.11 C ATOM 726 O THR A 68 67.044 1.985 3.382 1.00 0.12 O ATOM 727 CB THR A 68 70.105 1.222 2.973 1.00 0.14 C ATOM 728 OG1 THR A 68 70.736 2.269 3.694 1.00 0.17 O ATOM 729 CG2 THR A 68 69.549 1.765 1.654 1.00 0.13 C ATOM 0 H THR A 68 67.820 -0.205 2.274 1.00 0.11 H new ATOM 0 HA THR A 68 69.385 0.244 4.757 1.00 0.12 H new ATOM 0 HB THR A 68 70.831 0.440 2.751 1.00 0.14 H new ATOM 0 HG1 THR A 68 71.034 1.933 4.565 1.00 0.17 H new ATOM 0 HG21 THR A 68 70.362 2.183 1.061 1.00 0.13 H new ATOM 0 HG22 THR A 68 69.074 0.956 1.099 1.00 0.13 H new ATOM 0 HG23 THR A 68 68.814 2.543 1.862 1.00 0.13 H new ATOM 737 N TYR A 69 68.116 2.324 5.331 1.00 0.11 N ATOM 738 CA TYR A 69 67.226 3.404 5.750 1.00 0.11 C ATOM 739 C TYR A 69 67.932 4.749 5.614 1.00 0.11 C ATOM 740 O TYR A 69 69.123 4.860 5.904 1.00 0.12 O ATOM 741 CB TYR A 69 66.804 3.193 7.205 1.00 0.12 C ATOM 742 CG TYR A 69 66.122 1.868 7.445 1.00 0.19 C ATOM 743 CD1 TYR A 69 64.731 1.763 7.319 1.00 0.29 C ATOM 744 CD2 TYR A 69 66.879 0.744 7.795 1.00 0.27 C ATOM 745 CE1 TYR A 69 64.099 0.534 7.542 1.00 0.38 C ATOM 746 CE2 TYR A 69 66.248 -0.485 8.018 1.00 0.35 C ATOM 747 CZ TYR A 69 64.857 -0.590 7.892 1.00 0.38 C ATOM 748 OH TYR A 69 64.234 -1.803 8.111 1.00 0.48 O ATOM 0 H TYR A 69 68.850 2.095 6.001 1.00 0.11 H new ATOM 0 HA TYR A 69 66.342 3.399 5.112 1.00 0.11 H new ATOM 0 HB2 TYR A 69 67.684 3.261 7.844 1.00 0.12 H new ATOM 0 HB3 TYR A 69 66.132 3.998 7.501 1.00 0.12 H new ATOM 0 HD1 TYR A 69 64.146 2.630 7.050 1.00 0.29 H new ATOM 0 HD2 TYR A 69 67.951 0.825 7.893 1.00 0.27 H new ATOM 0 HE1 TYR A 69 63.027 0.453 7.444 1.00 0.38 H new ATOM 0 HE2 TYR A 69 66.833 -1.352 8.287 1.00 0.35 H new ATOM 0 HH TYR A 69 64.905 -2.478 8.344 1.00 0.48 H new ATOM 758 N ILE A 70 67.199 5.769 5.172 1.00 0.12 N ATOM 759 CA ILE A 70 67.789 7.097 5.006 1.00 0.13 C ATOM 760 C ILE A 70 67.474 7.970 6.227 1.00 0.12 C ATOM 761 O ILE A 70 66.331 8.417 6.355 1.00 0.15 O ATOM 762 CB ILE A 70 67.221 7.804 3.768 1.00 0.16 C ATOM 763 CG1 ILE A 70 67.258 6.897 2.531 1.00 0.19 C ATOM 764 CG2 ILE A 70 68.065 9.047 3.484 1.00 0.18 C ATOM 765 CD1 ILE A 70 66.470 7.549 1.390 1.00 0.24 C ATOM 0 H ILE A 70 66.211 5.705 4.926 1.00 0.12 H new ATOM 0 HA ILE A 70 68.865 6.963 4.893 1.00 0.13 H new ATOM 0 HB ILE A 70 66.183 8.066 3.971 1.00 0.16 H new ATOM 0 HG12 ILE A 70 68.290 6.727 2.223 1.00 0.19 H new ATOM 0 HG13 ILE A 70 66.832 5.922 2.770 1.00 0.19 H new ATOM 0 HG21 ILE A 70 67.673 9.560 2.606 1.00 0.18 H new ATOM 0 HG22 ILE A 70 68.027 9.717 4.343 1.00 0.18 H new ATOM 0 HG23 ILE A 70 69.098 8.751 3.300 1.00 0.18 H new ATOM 0 HD11 ILE A 70 66.498 6.903 0.513 1.00 0.24 H new ATOM 0 HD12 ILE A 70 65.435 7.696 1.700 1.00 0.24 H new ATOM 0 HD13 ILE A 70 66.915 8.513 1.145 1.00 0.24 H new ATOM 777 N PRO A 71 68.412 8.231 7.118 1.00 0.17 N ATOM 778 CA PRO A 71 68.123 9.072 8.322 1.00 0.20 C ATOM 779 C PRO A 71 67.558 10.444 7.947 1.00 0.19 C ATOM 780 O PRO A 71 66.626 10.933 8.586 1.00 0.22 O ATOM 781 CB PRO A 71 69.464 9.194 9.060 1.00 0.28 C ATOM 782 CG PRO A 71 70.509 8.670 8.132 1.00 0.45 C ATOM 783 CD PRO A 71 69.807 7.750 7.137 1.00 0.27 C ATOM 0 HA PRO A 71 67.356 8.616 8.948 1.00 0.20 H new ATOM 0 HB2 PRO A 71 69.667 10.231 9.326 1.00 0.28 H new ATOM 0 HB3 PRO A 71 69.449 8.623 9.989 1.00 0.28 H new ATOM 0 HG2 PRO A 71 71.009 9.488 7.613 1.00 0.45 H new ATOM 0 HG3 PRO A 71 71.276 8.127 8.684 1.00 0.45 H new ATOM 0 HD2 PRO A 71 70.263 7.811 6.149 1.00 0.27 H new ATOM 0 HD3 PRO A 71 69.864 6.708 7.450 1.00 0.27 H new ATOM 791 N VAL A 72 68.124 11.059 6.913 1.00 0.19 N ATOM 792 CA VAL A 72 67.616 12.333 6.412 1.00 0.24 C ATOM 793 C VAL A 72 67.607 12.308 4.886 1.00 0.24 C ATOM 794 O VAL A 72 68.562 11.846 4.264 1.00 0.24 O ATOM 795 CB VAL A 72 68.486 13.492 6.913 1.00 0.30 C ATOM 796 CG1 VAL A 72 67.887 14.823 6.454 1.00 1.26 C ATOM 797 CG2 VAL A 72 68.543 13.470 8.444 1.00 1.45 C ATOM 0 H VAL A 72 68.932 10.698 6.407 1.00 0.19 H new ATOM 0 HA VAL A 72 66.601 12.481 6.780 1.00 0.24 H new ATOM 0 HB VAL A 72 69.492 13.383 6.507 1.00 0.30 H new ATOM 0 HG11 VAL A 72 68.508 15.644 6.812 1.00 1.26 H new ATOM 0 HG12 VAL A 72 67.846 14.847 5.365 1.00 1.26 H new ATOM 0 HG13 VAL A 72 66.880 14.927 6.858 1.00 1.26 H new ATOM 0 HG21 VAL A 72 69.162 14.295 8.797 1.00 1.45 H new ATOM 0 HG22 VAL A 72 67.536 13.574 8.847 1.00 1.45 H new ATOM 0 HG23 VAL A 72 68.972 12.525 8.779 1.00 1.45 H new ATOM 807 N GLN A 73 66.531 12.814 4.288 1.00 0.29 N ATOM 808 CA GLN A 73 66.402 12.781 2.835 1.00 0.33 C ATOM 809 C GLN A 73 67.572 13.505 2.177 1.00 0.33 C ATOM 810 O GLN A 73 67.894 14.639 2.534 1.00 0.34 O ATOM 811 CB GLN A 73 65.087 13.440 2.413 1.00 0.40 C ATOM 812 CG GLN A 73 63.909 12.620 2.946 1.00 1.20 C ATOM 813 CD GLN A 73 62.585 13.304 2.614 1.00 1.47 C ATOM 814 OE1 GLN A 73 62.551 14.496 2.307 1.00 1.57 O ATOM 815 NE2 GLN A 73 61.479 12.611 2.658 1.00 2.17 N ATOM 0 H GLN A 73 65.748 13.245 4.779 1.00 0.29 H new ATOM 0 HA GLN A 73 66.406 11.740 2.511 1.00 0.33 H new ATOM 0 HB2 GLN A 73 65.039 14.458 2.798 1.00 0.40 H new ATOM 0 HB3 GLN A 73 65.034 13.508 1.326 1.00 0.40 H new ATOM 0 HG2 GLN A 73 63.928 11.621 2.511 1.00 1.20 H new ATOM 0 HG3 GLN A 73 64.002 12.499 4.025 1.00 1.20 H new ATOM 0 HE21 GLN A 73 61.506 11.624 2.912 1.00 2.17 H new ATOM 0 HE22 GLN A 73 60.588 13.057 2.438 1.00 2.17 H new ATOM 824 N ASP A 74 68.202 12.841 1.211 1.00 0.34 N ATOM 825 CA ASP A 74 69.345 13.412 0.507 1.00 0.34 C ATOM 826 C ASP A 74 69.036 13.546 -0.990 1.00 0.37 C ATOM 827 O ASP A 74 69.285 12.609 -1.750 1.00 0.39 O ATOM 828 CB ASP A 74 70.563 12.504 0.713 1.00 0.35 C ATOM 829 CG ASP A 74 71.850 13.323 0.681 1.00 0.42 C ATOM 830 OD1 ASP A 74 72.082 13.990 -0.315 1.00 0.42 O ATOM 831 OD2 ASP A 74 72.583 13.270 1.655 1.00 0.77 O ATOM 0 H ASP A 74 67.939 11.906 0.898 1.00 0.34 H new ATOM 0 HA ASP A 74 69.556 14.405 0.904 1.00 0.34 H new ATOM 0 HB2 ASP A 74 70.479 11.984 1.667 1.00 0.35 H new ATOM 0 HB3 ASP A 74 70.591 11.741 -0.065 1.00 0.35 H new ATOM 836 N PRO A 75 68.490 14.660 -1.435 1.00 0.38 N ATOM 837 CA PRO A 75 68.173 14.848 -2.888 1.00 0.39 C ATOM 838 C PRO A 75 69.406 14.706 -3.779 1.00 0.38 C ATOM 839 O PRO A 75 69.304 14.293 -4.934 1.00 0.38 O ATOM 840 CB PRO A 75 67.612 16.271 -2.969 1.00 0.41 C ATOM 841 CG PRO A 75 67.121 16.565 -1.594 1.00 0.42 C ATOM 842 CD PRO A 75 68.097 15.855 -0.662 1.00 0.40 C ATOM 0 HA PRO A 75 67.476 14.089 -3.244 1.00 0.39 H new ATOM 0 HB2 PRO A 75 68.379 16.982 -3.275 1.00 0.41 H new ATOM 0 HB3 PRO A 75 66.806 16.337 -3.700 1.00 0.41 H new ATOM 0 HG2 PRO A 75 67.104 17.638 -1.403 1.00 0.42 H new ATOM 0 HG3 PRO A 75 66.104 16.199 -1.452 1.00 0.42 H new ATOM 0 HD2 PRO A 75 68.956 16.482 -0.425 1.00 0.40 H new ATOM 0 HD3 PRO A 75 67.628 15.586 0.284 1.00 0.40 H new ATOM 850 N LYS A 76 70.570 15.050 -3.235 1.00 0.38 N ATOM 851 CA LYS A 76 71.818 14.950 -3.989 1.00 0.38 C ATOM 852 C LYS A 76 72.125 13.503 -4.384 1.00 0.37 C ATOM 853 O LYS A 76 72.725 13.252 -5.431 1.00 0.35 O ATOM 854 CB LYS A 76 72.976 15.522 -3.168 1.00 0.39 C ATOM 855 CG LYS A 76 74.242 15.567 -4.026 1.00 0.41 C ATOM 856 CD LYS A 76 75.418 16.060 -3.180 1.00 0.76 C ATOM 857 CE LYS A 76 76.644 16.254 -4.073 1.00 1.25 C ATOM 858 NZ LYS A 76 77.856 16.430 -3.223 1.00 2.03 N ATOM 0 H LYS A 76 70.676 15.398 -2.282 1.00 0.38 H new ATOM 0 HA LYS A 76 71.699 15.530 -4.904 1.00 0.38 H new ATOM 0 HB2 LYS A 76 72.726 16.524 -2.818 1.00 0.39 H new ATOM 0 HB3 LYS A 76 73.146 14.908 -2.284 1.00 0.39 H new ATOM 0 HG2 LYS A 76 74.458 14.576 -4.425 1.00 0.41 H new ATOM 0 HG3 LYS A 76 74.092 16.229 -4.879 1.00 0.41 H new ATOM 0 HD2 LYS A 76 75.159 16.999 -2.691 1.00 0.76 H new ATOM 0 HD3 LYS A 76 75.639 15.340 -2.392 1.00 0.76 H new ATOM 0 HE2 LYS A 76 76.769 15.393 -4.729 1.00 1.25 H new ATOM 0 HE3 LYS A 76 76.506 17.125 -4.713 1.00 1.25 H new ATOM 0 HZ1 LYS A 76 78.690 16.562 -3.830 1.00 2.03 H new ATOM 0 HZ2 LYS A 76 77.735 17.265 -2.615 1.00 2.03 H new ATOM 0 HZ3 LYS A 76 77.990 15.586 -2.630 1.00 2.03 H new ATOM 872 N LEU A 77 71.707 12.548 -3.556 1.00 0.38 N ATOM 873 CA LEU A 77 72.010 11.144 -3.812 1.00 0.37 C ATOM 874 C LEU A 77 71.502 10.721 -5.189 1.00 0.32 C ATOM 875 O LEU A 77 72.167 9.962 -5.893 1.00 0.31 O ATOM 876 CB LEU A 77 71.365 10.269 -2.734 1.00 0.41 C ATOM 877 CG LEU A 77 71.803 8.814 -2.918 1.00 0.41 C ATOM 878 CD1 LEU A 77 73.280 8.674 -2.547 1.00 0.44 C ATOM 879 CD2 LEU A 77 70.963 7.912 -2.010 1.00 0.45 C ATOM 0 H LEU A 77 71.163 12.719 -2.710 1.00 0.38 H new ATOM 0 HA LEU A 77 73.092 11.016 -3.787 1.00 0.37 H new ATOM 0 HB2 LEU A 77 71.654 10.623 -1.744 1.00 0.41 H new ATOM 0 HB3 LEU A 77 70.279 10.342 -2.795 1.00 0.41 H new ATOM 0 HG LEU A 77 71.661 8.520 -3.958 1.00 0.41 H new ATOM 0 HD11 LEU A 77 73.591 7.638 -2.678 1.00 0.44 H new ATOM 0 HD12 LEU A 77 73.879 9.317 -3.191 1.00 0.44 H new ATOM 0 HD13 LEU A 77 73.423 8.967 -1.507 1.00 0.44 H new ATOM 0 HD21 LEU A 77 71.273 6.875 -2.139 1.00 0.45 H new ATOM 0 HD22 LEU A 77 71.107 8.207 -0.971 1.00 0.45 H new ATOM 0 HD23 LEU A 77 69.910 8.011 -2.273 1.00 0.45 H new ATOM 891 N LEU A 78 70.339 11.232 -5.580 1.00 0.31 N ATOM 892 CA LEU A 78 69.758 10.868 -6.867 1.00 0.28 C ATOM 893 C LEU A 78 70.712 11.236 -7.998 1.00 0.24 C ATOM 894 O LEU A 78 70.992 10.426 -8.882 1.00 0.22 O ATOM 895 CB LEU A 78 68.424 11.594 -7.065 1.00 0.30 C ATOM 896 CG LEU A 78 67.463 11.241 -5.927 1.00 0.36 C ATOM 897 CD1 LEU A 78 66.174 12.051 -6.082 1.00 0.39 C ATOM 898 CD2 LEU A 78 67.125 9.748 -5.979 1.00 0.38 C ATOM 0 H LEU A 78 69.786 11.891 -5.032 1.00 0.31 H new ATOM 0 HA LEU A 78 69.587 9.792 -6.880 1.00 0.28 H new ATOM 0 HB2 LEU A 78 68.587 12.671 -7.093 1.00 0.30 H new ATOM 0 HB3 LEU A 78 67.986 11.313 -8.023 1.00 0.30 H new ATOM 0 HG LEU A 78 67.936 11.474 -4.973 1.00 0.36 H new ATOM 0 HD11 LEU A 78 65.488 11.801 -5.273 1.00 0.39 H new ATOM 0 HD12 LEU A 78 66.406 13.115 -6.045 1.00 0.39 H new ATOM 0 HD13 LEU A 78 65.708 11.814 -7.039 1.00 0.39 H new ATOM 0 HD21 LEU A 78 66.441 9.501 -5.167 1.00 0.38 H new ATOM 0 HD22 LEU A 78 66.654 9.515 -6.934 1.00 0.38 H new ATOM 0 HD23 LEU A 78 68.039 9.164 -5.873 1.00 0.38 H new ATOM 910 N ASP A 79 71.249 12.448 -7.938 1.00 0.26 N ATOM 911 CA ASP A 79 72.147 12.923 -8.986 1.00 0.26 C ATOM 912 C ASP A 79 73.376 12.026 -9.088 1.00 0.27 C ATOM 913 O ASP A 79 73.824 11.699 -10.186 1.00 0.28 O ATOM 914 CB ASP A 79 72.583 14.361 -8.694 1.00 0.30 C ATOM 915 CG ASP A 79 71.380 15.303 -8.732 1.00 1.10 C ATOM 916 OD1 ASP A 79 70.455 15.032 -9.481 1.00 1.59 O ATOM 917 OD2 ASP A 79 71.403 16.285 -8.008 1.00 1.74 O ATOM 0 H ASP A 79 71.082 13.115 -7.184 1.00 0.26 H new ATOM 0 HA ASP A 79 71.611 12.894 -9.935 1.00 0.26 H new ATOM 0 HB2 ASP A 79 73.061 14.411 -7.716 1.00 0.30 H new ATOM 0 HB3 ASP A 79 73.324 14.679 -9.427 1.00 0.30 H new ATOM 922 N ASN A 80 73.904 11.612 -7.942 1.00 0.29 N ATOM 923 CA ASN A 80 75.086 10.758 -7.929 1.00 0.33 C ATOM 924 C ASN A 80 74.815 9.446 -8.660 1.00 0.30 C ATOM 925 O ASN A 80 75.580 9.042 -9.538 1.00 0.34 O ATOM 926 CB ASN A 80 75.490 10.462 -6.484 1.00 0.38 C ATOM 927 CG ASN A 80 76.900 9.882 -6.445 1.00 0.45 C ATOM 928 OD1 ASN A 80 77.121 8.776 -5.790 1.00 1.07 O flip ATOM 929 ND2 ASN A 80 77.824 10.454 -7.024 1.00 1.09 N flip ATOM 0 H ASN A 80 73.538 11.850 -7.020 1.00 0.29 H new ATOM 0 HA ASN A 80 75.895 11.281 -8.440 1.00 0.33 H new ATOM 0 HB2 ASN A 80 75.447 11.376 -5.891 1.00 0.38 H new ATOM 0 HB3 ASN A 80 74.786 9.759 -6.038 1.00 0.38 H new ATOM 0 HD21 ASN A 80 77.648 11.319 -7.535 1.00 1.09 H new ATOM 0 HD22 ASN A 80 78.766 10.063 -6.992 1.00 1.09 H new ATOM 936 N LEU A 81 73.704 8.796 -8.325 1.00 0.25 N ATOM 937 CA LEU A 81 73.367 7.517 -8.942 1.00 0.23 C ATOM 938 C LEU A 81 73.260 7.648 -10.457 1.00 0.22 C ATOM 939 O LEU A 81 73.636 6.728 -11.181 1.00 0.24 O ATOM 940 CB LEU A 81 72.043 6.995 -8.378 1.00 0.21 C ATOM 941 CG LEU A 81 72.157 6.812 -6.863 1.00 0.27 C ATOM 942 CD1 LEU A 81 70.793 6.415 -6.293 1.00 0.30 C ATOM 943 CD2 LEU A 81 73.170 5.707 -6.553 1.00 0.34 C ATOM 0 H LEU A 81 73.028 9.129 -7.637 1.00 0.25 H new ATOM 0 HA LEU A 81 74.166 6.812 -8.712 1.00 0.23 H new ATOM 0 HB2 LEU A 81 71.239 7.694 -8.609 1.00 0.21 H new ATOM 0 HB3 LEU A 81 71.786 6.046 -8.849 1.00 0.21 H new ATOM 0 HG LEU A 81 72.487 7.748 -6.412 1.00 0.27 H new ATOM 0 HD11 LEU A 81 70.874 6.284 -5.214 1.00 0.30 H new ATOM 0 HD12 LEU A 81 70.066 7.197 -6.511 1.00 0.30 H new ATOM 0 HD13 LEU A 81 70.467 5.480 -6.748 1.00 0.30 H new ATOM 0 HD21 LEU A 81 73.249 5.579 -5.474 1.00 0.34 H new ATOM 0 HD22 LEU A 81 72.839 4.773 -7.006 1.00 0.34 H new ATOM 0 HD23 LEU A 81 74.144 5.982 -6.958 1.00 0.34 H new ATOM 955 N LEU A 82 72.746 8.780 -10.933 1.00 0.21 N ATOM 956 CA LEU A 82 72.621 8.986 -12.373 1.00 0.26 C ATOM 957 C LEU A 82 73.993 9.085 -13.036 1.00 0.33 C ATOM 958 O LEU A 82 74.231 8.454 -14.064 1.00 0.38 O ATOM 959 CB LEU A 82 71.804 10.245 -12.671 1.00 0.28 C ATOM 960 CG LEU A 82 70.392 10.100 -12.100 1.00 0.27 C ATOM 961 CD1 LEU A 82 69.634 11.417 -12.278 1.00 0.33 C ATOM 962 CD2 LEU A 82 69.648 8.989 -12.845 1.00 0.29 C ATOM 0 H LEU A 82 72.416 9.554 -10.356 1.00 0.21 H new ATOM 0 HA LEU A 82 72.100 8.122 -12.786 1.00 0.26 H new ATOM 0 HB2 LEU A 82 72.293 11.117 -12.237 1.00 0.28 H new ATOM 0 HB3 LEU A 82 71.755 10.410 -13.747 1.00 0.28 H new ATOM 0 HG LEU A 82 70.456 9.851 -11.041 1.00 0.27 H new ATOM 0 HD11 LEU A 82 68.628 11.315 -11.872 1.00 0.33 H new ATOM 0 HD12 LEU A 82 70.159 12.213 -11.751 1.00 0.33 H new ATOM 0 HD13 LEU A 82 69.574 11.662 -13.338 1.00 0.33 H new ATOM 0 HD21 LEU A 82 68.642 8.887 -12.437 1.00 0.29 H new ATOM 0 HD22 LEU A 82 69.586 9.239 -13.904 1.00 0.29 H new ATOM 0 HD23 LEU A 82 70.185 8.048 -12.725 1.00 0.29 H new ATOM 974 N THR A 83 74.909 9.835 -12.426 1.00 0.36 N ATOM 975 CA THR A 83 76.255 9.971 -12.982 1.00 0.45 C ATOM 976 C THR A 83 76.965 8.618 -13.086 1.00 0.49 C ATOM 977 O THR A 83 77.758 8.396 -14.002 1.00 0.57 O ATOM 978 CB THR A 83 77.081 10.914 -12.103 1.00 0.48 C ATOM 979 OG1 THR A 83 76.375 12.135 -11.931 1.00 0.44 O ATOM 980 CG2 THR A 83 78.428 11.195 -12.773 1.00 0.58 C ATOM 0 H THR A 83 74.749 10.350 -11.561 1.00 0.36 H new ATOM 0 HA THR A 83 76.161 10.380 -13.988 1.00 0.45 H new ATOM 0 HB THR A 83 77.251 10.449 -11.132 1.00 0.48 H new ATOM 0 HG1 THR A 83 75.673 12.015 -11.258 1.00 0.44 H new ATOM 0 HG21 THR A 83 79.014 11.866 -12.145 1.00 0.58 H new ATOM 0 HG22 THR A 83 78.970 10.259 -12.907 1.00 0.58 H new ATOM 0 HG23 THR A 83 78.261 11.660 -13.745 1.00 0.58 H new ATOM 988 N LYS A 84 76.679 7.718 -12.148 1.00 0.45 N ATOM 989 CA LYS A 84 77.274 6.381 -12.159 1.00 0.50 C ATOM 990 C LYS A 84 76.565 5.399 -13.102 1.00 0.47 C ATOM 991 O LYS A 84 76.981 4.245 -13.203 1.00 0.51 O ATOM 992 CB LYS A 84 77.317 5.811 -10.741 1.00 0.51 C ATOM 993 CG LYS A 84 78.259 6.663 -9.888 1.00 0.62 C ATOM 994 CD LYS A 84 78.405 6.040 -8.497 1.00 0.73 C ATOM 995 CE LYS A 84 79.257 6.954 -7.615 1.00 1.22 C ATOM 996 NZ LYS A 84 80.588 7.161 -8.252 1.00 2.08 N ATOM 0 H LYS A 84 76.040 7.888 -11.371 1.00 0.45 H new ATOM 0 HA LYS A 84 78.286 6.500 -12.545 1.00 0.50 H new ATOM 0 HB2 LYS A 84 76.317 5.806 -10.307 1.00 0.51 H new ATOM 0 HB3 LYS A 84 77.660 4.777 -10.762 1.00 0.51 H new ATOM 0 HG2 LYS A 84 79.235 6.735 -10.369 1.00 0.62 H new ATOM 0 HG3 LYS A 84 77.870 7.678 -9.803 1.00 0.62 H new ATOM 0 HD2 LYS A 84 77.423 5.895 -8.047 1.00 0.73 H new ATOM 0 HD3 LYS A 84 78.868 5.056 -8.574 1.00 0.73 H new ATOM 0 HE2 LYS A 84 78.756 7.912 -7.475 1.00 1.22 H new ATOM 0 HE3 LYS A 84 79.380 6.511 -6.627 1.00 1.22 H new ATOM 0 HZ1 LYS A 84 81.257 7.528 -7.546 1.00 2.08 H new ATOM 0 HZ2 LYS A 84 80.939 6.256 -8.624 1.00 2.08 H new ATOM 0 HZ3 LYS A 84 80.498 7.844 -9.031 1.00 2.08 H new ATOM 1010 N ASN A 85 75.490 5.829 -13.766 1.00 0.41 N ATOM 1011 CA ASN A 85 74.719 4.949 -14.637 1.00 0.41 C ATOM 1012 C ASN A 85 74.134 3.781 -13.844 1.00 0.34 C ATOM 1013 O ASN A 85 74.136 2.636 -14.297 1.00 0.35 O ATOM 1014 CB ASN A 85 75.593 4.431 -15.786 1.00 0.51 C ATOM 1015 CG ASN A 85 76.158 5.603 -16.581 1.00 0.59 C ATOM 1016 OD1 ASN A 85 75.566 6.681 -16.606 1.00 1.14 O ATOM 1017 ND2 ASN A 85 77.275 5.454 -17.237 1.00 1.25 N ATOM 0 H ASN A 85 75.136 6.784 -13.715 1.00 0.41 H new ATOM 0 HA ASN A 85 73.895 5.523 -15.060 1.00 0.41 H new ATOM 0 HB2 ASN A 85 76.407 3.824 -15.390 1.00 0.51 H new ATOM 0 HB3 ASN A 85 75.004 3.787 -16.440 1.00 0.51 H new ATOM 0 HD21 ASN A 85 77.660 6.232 -17.772 1.00 1.25 H new ATOM 0 HD22 ASN A 85 77.764 4.559 -17.215 1.00 1.25 H new ATOM 1024 N VAL A 86 73.624 4.084 -12.653 1.00 0.27 N ATOM 1025 CA VAL A 86 72.973 3.071 -11.828 1.00 0.22 C ATOM 1026 C VAL A 86 71.464 3.132 -12.045 1.00 0.18 C ATOM 1027 O VAL A 86 70.895 4.219 -12.151 1.00 0.19 O ATOM 1028 CB VAL A 86 73.296 3.307 -10.348 1.00 0.24 C ATOM 1029 CG1 VAL A 86 72.682 2.192 -9.498 1.00 0.23 C ATOM 1030 CG2 VAL A 86 74.813 3.309 -10.143 1.00 0.31 C ATOM 0 H VAL A 86 73.649 5.016 -12.240 1.00 0.27 H new ATOM 0 HA VAL A 86 73.342 2.086 -12.114 1.00 0.22 H new ATOM 0 HB VAL A 86 72.882 4.269 -10.046 1.00 0.24 H new ATOM 0 HG11 VAL A 86 72.915 2.365 -8.447 1.00 0.23 H new ATOM 0 HG12 VAL A 86 71.600 2.185 -9.633 1.00 0.23 H new ATOM 0 HG13 VAL A 86 73.093 1.231 -9.807 1.00 0.23 H new ATOM 0 HG21 VAL A 86 75.038 3.477 -9.090 1.00 0.31 H new ATOM 0 HG22 VAL A 86 75.223 2.348 -10.453 1.00 0.31 H new ATOM 0 HG23 VAL A 86 75.260 4.104 -10.741 1.00 0.31 H new ATOM 1040 N LYS A 87 70.819 1.969 -12.107 1.00 0.15 N ATOM 1041 CA LYS A 87 69.384 1.929 -12.369 1.00 0.16 C ATOM 1042 C LYS A 87 68.623 2.548 -11.200 1.00 0.14 C ATOM 1043 O LYS A 87 68.888 2.230 -10.042 1.00 0.17 O ATOM 1044 CB LYS A 87 68.923 0.486 -12.582 1.00 0.19 C ATOM 1045 CG LYS A 87 67.458 0.479 -13.022 1.00 0.30 C ATOM 1046 CD LYS A 87 66.971 -0.965 -13.158 1.00 0.95 C ATOM 1047 CE LYS A 87 65.559 -0.973 -13.750 1.00 1.11 C ATOM 1048 NZ LYS A 87 65.062 -2.376 -13.828 1.00 1.89 N ATOM 0 H LYS A 87 71.259 1.057 -11.982 1.00 0.15 H new ATOM 0 HA LYS A 87 69.178 2.501 -13.274 1.00 0.16 H new ATOM 0 HB2 LYS A 87 69.543 0.002 -13.337 1.00 0.19 H new ATOM 0 HB3 LYS A 87 69.040 -0.084 -11.660 1.00 0.19 H new ATOM 0 HG2 LYS A 87 66.847 1.013 -12.295 1.00 0.30 H new ATOM 0 HG3 LYS A 87 67.351 1.001 -13.973 1.00 0.30 H new ATOM 0 HD2 LYS A 87 67.649 -1.530 -13.798 1.00 0.95 H new ATOM 0 HD3 LYS A 87 66.971 -1.454 -12.184 1.00 0.95 H new ATOM 0 HE2 LYS A 87 64.891 -0.373 -13.133 1.00 1.11 H new ATOM 0 HE3 LYS A 87 65.566 -0.523 -14.743 1.00 1.11 H new ATOM 0 HZ1 LYS A 87 64.103 -2.383 -14.230 1.00 1.89 H new ATOM 0 HZ2 LYS A 87 65.695 -2.935 -14.434 1.00 1.89 H new ATOM 0 HZ3 LYS A 87 65.040 -2.790 -12.874 1.00 1.89 H new ATOM 1062 N VAL A 88 67.651 3.403 -11.507 1.00 0.16 N ATOM 1063 CA VAL A 88 66.895 4.096 -10.465 1.00 0.15 C ATOM 1064 C VAL A 88 65.397 3.910 -10.687 1.00 0.16 C ATOM 1065 O VAL A 88 64.891 4.099 -11.792 1.00 0.18 O ATOM 1066 CB VAL A 88 67.241 5.591 -10.463 1.00 0.18 C ATOM 1067 CG1 VAL A 88 66.523 6.291 -9.305 1.00 0.19 C ATOM 1068 CG2 VAL A 88 68.751 5.775 -10.292 1.00 0.20 C ATOM 0 H VAL A 88 67.369 3.632 -12.460 1.00 0.16 H new ATOM 0 HA VAL A 88 67.165 3.669 -9.499 1.00 0.15 H new ATOM 0 HB VAL A 88 66.921 6.025 -11.410 1.00 0.18 H new ATOM 0 HG11 VAL A 88 66.773 7.352 -9.310 1.00 0.19 H new ATOM 0 HG12 VAL A 88 65.446 6.172 -9.420 1.00 0.19 H new ATOM 0 HG13 VAL A 88 66.838 5.848 -8.360 1.00 0.19 H new ATOM 0 HG21 VAL A 88 68.990 6.838 -10.291 1.00 0.20 H new ATOM 0 HG22 VAL A 88 69.067 5.331 -9.348 1.00 0.20 H new ATOM 0 HG23 VAL A 88 69.273 5.286 -11.115 1.00 0.20 H new ATOM 1078 N VAL A 89 64.696 3.539 -9.619 1.00 0.16 N ATOM 1079 CA VAL A 89 63.245 3.355 -9.682 1.00 0.18 C ATOM 1080 C VAL A 89 62.572 4.210 -8.615 1.00 0.21 C ATOM 1081 O VAL A 89 63.016 4.229 -7.471 1.00 0.22 O ATOM 1082 CB VAL A 89 62.870 1.887 -9.439 1.00 0.19 C ATOM 1083 CG1 VAL A 89 61.371 1.701 -9.688 1.00 0.23 C ATOM 1084 CG2 VAL A 89 63.658 0.965 -10.376 1.00 0.18 C ATOM 0 H VAL A 89 65.105 3.360 -8.702 1.00 0.16 H new ATOM 0 HA VAL A 89 62.909 3.652 -10.675 1.00 0.18 H new ATOM 0 HB VAL A 89 63.114 1.629 -8.408 1.00 0.19 H new ATOM 0 HG11 VAL A 89 61.100 0.659 -9.516 1.00 0.23 H new ATOM 0 HG12 VAL A 89 60.807 2.339 -9.008 1.00 0.23 H new ATOM 0 HG13 VAL A 89 61.137 1.972 -10.717 1.00 0.23 H new ATOM 0 HG21 VAL A 89 63.377 -0.071 -10.187 1.00 0.18 H new ATOM 0 HG22 VAL A 89 63.432 1.219 -11.412 1.00 0.18 H new ATOM 0 HG23 VAL A 89 64.726 1.090 -10.196 1.00 0.18 H new ATOM 1094 N GLY A 90 61.496 4.901 -8.979 1.00 0.25 N ATOM 1095 CA GLY A 90 60.758 5.711 -8.011 1.00 0.32 C ATOM 1096 C GLY A 90 59.317 5.230 -7.882 1.00 0.40 C ATOM 1097 O GLY A 90 58.615 5.074 -8.880 1.00 0.52 O ATOM 0 H GLY A 90 61.117 4.918 -9.926 1.00 0.25 H new ATOM 0 HA2 GLY A 90 61.250 5.661 -7.040 1.00 0.32 H new ATOM 0 HA3 GLY A 90 60.770 6.756 -8.321 1.00 0.32 H new ATOM 1101 N GLU A 91 58.881 4.996 -6.647 1.00 0.39 N ATOM 1102 CA GLU A 91 57.500 4.597 -6.403 1.00 0.57 C ATOM 1103 C GLU A 91 57.063 5.004 -4.992 1.00 0.59 C ATOM 1104 O GLU A 91 57.156 4.194 -4.068 1.00 0.57 O ATOM 1105 CB GLU A 91 57.352 3.083 -6.579 1.00 0.65 C ATOM 1106 CG GLU A 91 57.220 2.751 -8.067 1.00 0.74 C ATOM 1107 CD GLU A 91 56.531 1.402 -8.240 1.00 0.92 C ATOM 1108 OE1 GLU A 91 55.312 1.375 -8.229 1.00 1.46 O ATOM 1109 OE2 GLU A 91 57.233 0.414 -8.380 1.00 1.31 O ATOM 0 H GLU A 91 59.457 5.075 -5.809 1.00 0.39 H new ATOM 0 HA GLU A 91 56.861 5.105 -7.125 1.00 0.57 H new ATOM 0 HB2 GLU A 91 58.217 2.571 -6.157 1.00 0.65 H new ATOM 0 HB3 GLU A 91 56.475 2.727 -6.037 1.00 0.65 H new ATOM 0 HG2 GLU A 91 56.647 3.529 -8.572 1.00 0.74 H new ATOM 0 HG3 GLU A 91 58.206 2.728 -8.532 1.00 0.74 H new ATOM 1116 N PRO A 92 56.599 6.222 -4.794 1.00 0.75 N ATOM 1117 CA PRO A 92 56.150 6.671 -3.439 1.00 0.82 C ATOM 1118 C PRO A 92 55.048 5.764 -2.878 1.00 0.93 C ATOM 1119 O PRO A 92 54.257 5.225 -3.653 1.00 1.13 O ATOM 1120 CB PRO A 92 55.624 8.094 -3.655 1.00 1.14 C ATOM 1121 CG PRO A 92 56.238 8.558 -4.931 1.00 1.16 C ATOM 1122 CD PRO A 92 56.445 7.309 -5.783 1.00 0.97 C ATOM 0 HA PRO A 92 56.962 6.631 -2.713 1.00 0.82 H new ATOM 0 HB2 PRO A 92 54.536 8.105 -3.717 1.00 1.14 H new ATOM 0 HB3 PRO A 92 55.903 8.745 -2.826 1.00 1.14 H new ATOM 0 HG2 PRO A 92 55.589 9.272 -5.438 1.00 1.16 H new ATOM 0 HG3 PRO A 92 57.185 9.064 -4.746 1.00 1.16 H new ATOM 0 HD2 PRO A 92 55.596 7.131 -6.443 1.00 0.97 H new ATOM 0 HD3 PRO A 92 57.327 7.400 -6.417 1.00 0.97 H new ATOM 1130 N PRO A 93 54.967 5.576 -1.575 1.00 0.90 N ATOM 1131 CA PRO A 93 53.913 4.696 -0.978 1.00 1.15 C ATOM 1132 C PRO A 93 52.510 5.108 -1.416 1.00 1.52 C ATOM 1133 O PRO A 93 52.226 6.294 -1.587 1.00 1.63 O ATOM 1134 CB PRO A 93 54.081 4.881 0.531 1.00 1.08 C ATOM 1135 CG PRO A 93 55.501 5.291 0.705 1.00 0.81 C ATOM 1136 CD PRO A 93 55.825 6.146 -0.516 1.00 0.76 C ATOM 0 HA PRO A 93 54.025 3.660 -1.297 1.00 1.15 H new ATOM 0 HB2 PRO A 93 53.400 5.640 0.915 1.00 1.08 H new ATOM 0 HB3 PRO A 93 53.866 3.958 1.070 1.00 1.08 H new ATOM 0 HG2 PRO A 93 55.637 5.855 1.628 1.00 0.81 H new ATOM 0 HG3 PRO A 93 56.157 4.422 0.762 1.00 0.81 H new ATOM 0 HD2 PRO A 93 55.600 7.198 -0.340 1.00 0.76 H new ATOM 0 HD3 PRO A 93 56.881 6.086 -0.779 1.00 0.76 H new ATOM 1144 N GLU A 94 51.635 4.121 -1.595 1.00 1.80 N ATOM 1145 CA GLU A 94 50.262 4.388 -2.015 1.00 2.20 C ATOM 1146 C GLU A 94 49.293 4.165 -0.858 1.00 2.62 C ATOM 1147 O GLU A 94 49.456 3.236 -0.069 1.00 2.78 O ATOM 1148 CB GLU A 94 49.886 3.468 -3.179 1.00 2.32 C ATOM 1149 CG GLU A 94 48.519 3.879 -3.736 1.00 2.66 C ATOM 1150 CD GLU A 94 48.045 2.937 -4.848 1.00 3.13 C ATOM 1151 OE1 GLU A 94 48.739 1.978 -5.158 1.00 3.34 O ATOM 1152 OE2 GLU A 94 46.977 3.192 -5.381 1.00 3.70 O ATOM 0 H GLU A 94 51.851 3.134 -1.457 1.00 1.80 H new ATOM 0 HA GLU A 94 50.196 5.428 -2.334 1.00 2.20 H new ATOM 0 HB2 GLU A 94 50.642 3.527 -3.962 1.00 2.32 H new ATOM 0 HB3 GLU A 94 49.856 2.432 -2.842 1.00 2.32 H new ATOM 0 HG2 GLU A 94 47.786 3.885 -2.929 1.00 2.66 H new ATOM 0 HG3 GLU A 94 48.576 4.896 -4.123 1.00 2.66 H new ATOM 1159 N GLU A 95 48.283 5.027 -0.766 1.00 3.03 N ATOM 1160 CA GLU A 95 47.278 4.921 0.288 1.00 3.50 C ATOM 1161 C GLU A 95 45.871 4.875 -0.322 1.00 4.22 C ATOM 1162 O GLU A 95 45.175 5.893 -0.352 1.00 4.68 O ATOM 1163 CB GLU A 95 47.401 6.113 1.242 1.00 3.63 C ATOM 1164 CG GLU A 95 48.554 5.872 2.217 1.00 3.52 C ATOM 1165 CD GLU A 95 48.523 6.913 3.331 1.00 3.70 C ATOM 1166 OE1 GLU A 95 48.223 8.058 3.036 1.00 4.18 O ATOM 1167 OE2 GLU A 95 48.796 6.549 4.463 1.00 3.78 O ATOM 0 H GLU A 95 48.139 5.806 -1.408 1.00 3.03 H new ATOM 0 HA GLU A 95 47.445 3.999 0.846 1.00 3.50 H new ATOM 0 HB2 GLU A 95 47.575 7.028 0.676 1.00 3.63 H new ATOM 0 HB3 GLU A 95 46.469 6.250 1.791 1.00 3.63 H new ATOM 0 HG2 GLU A 95 48.479 4.871 2.642 1.00 3.52 H new ATOM 0 HG3 GLU A 95 49.505 5.923 1.687 1.00 3.52 H new ATOM 1174 N PRO A 96 45.435 3.735 -0.820 1.00 4.54 N ATOM 1175 CA PRO A 96 44.086 3.627 -1.464 1.00 5.37 C ATOM 1176 C PRO A 96 42.942 4.043 -0.538 1.00 5.86 C ATOM 1177 O PRO A 96 41.874 4.436 -1.008 1.00 6.08 O ATOM 1178 CB PRO A 96 43.972 2.150 -1.865 1.00 5.73 C ATOM 1179 CG PRO A 96 44.974 1.438 -1.023 1.00 5.24 C ATOM 1180 CD PRO A 96 46.125 2.426 -0.850 1.00 4.41 C ATOM 0 HA PRO A 96 44.001 4.305 -2.313 1.00 5.37 H new ATOM 0 HB2 PRO A 96 42.966 1.770 -1.686 1.00 5.73 H new ATOM 0 HB3 PRO A 96 44.181 2.013 -2.926 1.00 5.73 H new ATOM 0 HG2 PRO A 96 44.549 1.155 -0.060 1.00 5.24 H new ATOM 0 HG3 PRO A 96 45.312 0.520 -1.504 1.00 5.24 H new ATOM 0 HD2 PRO A 96 46.681 2.241 0.069 1.00 4.41 H new ATOM 0 HD3 PRO A 96 46.838 2.364 -1.672 1.00 4.41 H new ATOM 1188 N LEU A 97 43.162 3.955 0.770 1.00 6.27 N ATOM 1189 CA LEU A 97 42.123 4.309 1.735 1.00 6.85 C ATOM 1190 C LEU A 97 41.735 5.783 1.614 1.00 7.14 C ATOM 1191 O LEU A 97 40.566 6.136 1.762 1.00 7.40 O ATOM 1192 CB LEU A 97 42.616 4.028 3.157 1.00 7.53 C ATOM 1193 CG LEU A 97 43.007 2.554 3.294 1.00 7.78 C ATOM 1194 CD1 LEU A 97 43.593 2.311 4.686 1.00 8.69 C ATOM 1195 CD2 LEU A 97 41.771 1.670 3.111 1.00 7.86 C ATOM 0 H LEU A 97 44.041 3.645 1.185 1.00 6.27 H new ATOM 0 HA LEU A 97 41.244 3.701 1.521 1.00 6.85 H new ATOM 0 HB2 LEU A 97 43.472 4.663 3.386 1.00 7.53 H new ATOM 0 HB3 LEU A 97 41.835 4.274 3.877 1.00 7.53 H new ATOM 0 HG LEU A 97 43.746 2.308 2.532 1.00 7.78 H new ATOM 0 HD11 LEU A 97 43.872 1.262 4.785 1.00 8.69 H new ATOM 0 HD12 LEU A 97 44.476 2.936 4.823 1.00 8.69 H new ATOM 0 HD13 LEU A 97 42.850 2.562 5.443 1.00 8.69 H new ATOM 0 HD21 LEU A 97 42.055 0.622 3.209 1.00 7.86 H new ATOM 0 HD22 LEU A 97 41.030 1.918 3.871 1.00 7.86 H new ATOM 0 HD23 LEU A 97 41.346 1.839 2.122 1.00 7.86 H new ATOM 1207 N GLU A 98 42.719 6.636 1.346 1.00 7.40 N ATOM 1208 CA GLU A 98 42.468 8.071 1.243 1.00 8.04 C ATOM 1209 C GLU A 98 41.419 8.387 0.177 1.00 8.26 C ATOM 1210 O GLU A 98 40.645 9.333 0.323 1.00 8.60 O ATOM 1211 CB GLU A 98 43.771 8.799 0.904 1.00 8.47 C ATOM 1212 CG GLU A 98 43.548 10.315 0.980 1.00 8.86 C ATOM 1213 CD GLU A 98 44.795 11.100 0.560 1.00 9.54 C ATOM 1214 OE1 GLU A 98 45.791 10.493 0.194 1.00 9.63 O ATOM 1215 OE2 GLU A 98 44.734 12.317 0.611 1.00 10.14 O ATOM 0 H GLU A 98 43.690 6.362 1.197 1.00 7.40 H new ATOM 0 HA GLU A 98 42.086 8.412 2.205 1.00 8.04 H new ATOM 0 HB2 GLU A 98 44.557 8.502 1.598 1.00 8.47 H new ATOM 0 HB3 GLU A 98 44.106 8.520 -0.095 1.00 8.47 H new ATOM 0 HG2 GLU A 98 42.712 10.591 0.337 1.00 8.86 H new ATOM 0 HG3 GLU A 98 43.272 10.590 1.998 1.00 8.86 H new ATOM 1222 N HIS A 99 41.394 7.597 -0.893 1.00 8.38 N ATOM 1223 CA HIS A 99 40.453 7.833 -1.984 1.00 8.92 C ATOM 1224 C HIS A 99 39.013 7.893 -1.479 1.00 9.49 C ATOM 1225 O HIS A 99 38.202 8.659 -2.000 1.00 10.02 O ATOM 1226 CB HIS A 99 40.584 6.724 -3.029 1.00 9.23 C ATOM 1227 CG HIS A 99 41.897 6.747 -3.762 1.00 9.43 C ATOM 1228 ND1 HIS A 99 43.075 6.309 -3.182 1.00 9.40 N ATOM 1229 CD2 HIS A 99 42.231 7.152 -5.032 1.00 9.94 C ATOM 1230 CE1 HIS A 99 44.055 6.456 -4.090 1.00 9.88 C ATOM 1231 NE2 HIS A 99 43.597 6.967 -5.236 1.00 10.23 N ATOM 0 H HIS A 99 42.009 6.794 -1.028 1.00 8.38 H new ATOM 0 HA HIS A 99 40.695 8.796 -2.433 1.00 8.92 H new ATOM 0 HB2 HIS A 99 40.467 5.757 -2.539 1.00 9.23 H new ATOM 0 HB3 HIS A 99 39.772 6.817 -3.750 1.00 9.23 H new ATOM 0 HD2 HIS A 99 41.541 7.552 -5.760 1.00 9.94 H new ATOM 0 HE1 HIS A 99 45.088 6.193 -3.914 1.00 9.88 H new ATOM 0 HE2 HIS A 99 44.132 7.177 -6.079 1.00 10.23 H new ATOM 1239 N HIS A 100 38.697 7.088 -0.469 1.00 9.61 N ATOM 1240 CA HIS A 100 37.342 7.058 0.070 1.00 10.40 C ATOM 1241 C HIS A 100 36.924 8.442 0.557 1.00 10.78 C ATOM 1242 O HIS A 100 37.729 9.181 1.123 1.00 11.04 O ATOM 1243 CB HIS A 100 37.259 6.061 1.227 1.00 10.64 C ATOM 1244 CG HIS A 100 37.425 4.629 0.796 1.00 10.95 C ATOM 1245 ND1 HIS A 100 38.663 4.007 0.758 1.00 10.66 N ATOM 1246 CD2 HIS A 100 36.518 3.684 0.382 1.00 11.76 C ATOM 1247 CE1 HIS A 100 38.470 2.746 0.336 1.00 11.30 C ATOM 1248 NE2 HIS A 100 37.181 2.494 0.093 1.00 11.97 N ATOM 0 H HIS A 100 39.353 6.454 -0.012 1.00 9.61 H new ATOM 0 HA HIS A 100 36.665 6.747 -0.726 1.00 10.40 H new ATOM 0 HB2 HIS A 100 38.028 6.303 1.961 1.00 10.64 H new ATOM 0 HB3 HIS A 100 36.296 6.173 1.725 1.00 10.64 H new ATOM 0 HD2 HIS A 100 35.453 3.840 0.294 1.00 11.76 H new ATOM 0 HE1 HIS A 100 39.262 2.023 0.209 1.00 11.30 H new ATOM 0 HE2 HIS A 100 36.771 1.619 -0.234 1.00 11.97 H new ATOM 1256 N HIS A 101 35.659 8.784 0.333 1.00 11.04 N ATOM 1257 CA HIS A 101 35.133 10.072 0.777 1.00 11.67 C ATOM 1258 C HIS A 101 34.705 10.038 2.246 1.00 12.17 C ATOM 1259 O HIS A 101 34.757 11.060 2.932 1.00 12.60 O ATOM 1260 CB HIS A 101 33.936 10.466 -0.090 1.00 12.03 C ATOM 1261 CG HIS A 101 34.292 10.690 -1.535 1.00 12.21 C ATOM 1262 ND1 HIS A 101 34.222 9.677 -2.478 1.00 12.14 N ATOM 1263 CD2 HIS A 101 34.722 11.804 -2.212 1.00 12.68 C ATOM 1264 CE1 HIS A 101 34.600 10.196 -3.659 1.00 12.56 C ATOM 1265 NE2 HIS A 101 34.917 11.489 -3.555 1.00 12.90 N ATOM 0 H HIS A 101 34.983 8.193 -0.150 1.00 11.04 H new ATOM 0 HA HIS A 101 35.931 10.807 0.676 1.00 11.67 H new ATOM 0 HB2 HIS A 101 33.179 9.685 -0.027 1.00 12.03 H new ATOM 0 HB3 HIS A 101 33.490 11.376 0.312 1.00 12.03 H new ATOM 0 HD2 HIS A 101 34.884 12.776 -1.771 1.00 12.68 H new ATOM 0 HE1 HIS A 101 34.642 9.635 -4.581 1.00 12.56 H new ATOM 0 HE2 HIS A 101 35.234 12.112 -4.298 1.00 12.90 H new ATOM 1273 N HIS A 102 34.283 8.871 2.729 1.00 12.31 N ATOM 1274 CA HIS A 102 33.833 8.743 4.111 1.00 13.01 C ATOM 1275 C HIS A 102 34.923 9.185 5.087 1.00 13.46 C ATOM 1276 O HIS A 102 34.633 9.796 6.115 1.00 14.02 O ATOM 1277 CB HIS A 102 33.448 7.292 4.401 1.00 13.25 C ATOM 1278 CG HIS A 102 32.868 7.090 5.774 1.00 13.45 C ATOM 1279 ND1 HIS A 102 33.642 6.701 6.855 1.00 13.51 N ATOM 1280 CD2 HIS A 102 31.589 7.223 6.259 1.00 13.83 C ATOM 1281 CE1 HIS A 102 32.832 6.613 7.924 1.00 13.89 C ATOM 1282 NE2 HIS A 102 31.570 6.920 7.618 1.00 14.10 N ATOM 0 H HIS A 102 34.244 8.007 2.188 1.00 12.31 H new ATOM 0 HA HIS A 102 32.965 9.388 4.245 1.00 13.01 H new ATOM 0 HB2 HIS A 102 32.724 6.960 3.657 1.00 13.25 H new ATOM 0 HB3 HIS A 102 34.330 6.661 4.291 1.00 13.25 H new ATOM 0 HD2 HIS A 102 30.730 7.518 5.675 1.00 13.83 H new ATOM 0 HE1 HIS A 102 33.163 6.328 8.912 1.00 13.89 H new ATOM 0 HE2 HIS A 102 30.765 6.930 8.244 1.00 14.10 H new ATOM 1290 N HIS A 103 36.175 8.875 4.762 1.00 13.39 N ATOM 1291 CA HIS A 103 37.292 9.243 5.625 1.00 13.99 C ATOM 1292 C HIS A 103 37.332 10.751 5.883 1.00 14.42 C ATOM 1293 O HIS A 103 37.743 11.189 6.956 1.00 14.93 O ATOM 1294 CB HIS A 103 38.609 8.803 4.984 1.00 13.97 C ATOM 1295 CG HIS A 103 39.812 9.056 5.851 1.00 14.55 C ATOM 1296 ND1 HIS A 103 40.011 8.389 7.050 1.00 14.82 N ATOM 1297 CD2 HIS A 103 40.887 9.898 5.708 1.00 15.09 C ATOM 1298 CE1 HIS A 103 41.165 8.837 7.576 1.00 15.47 C ATOM 1299 NE2 HIS A 103 41.741 9.757 6.799 1.00 15.66 N ATOM 0 H HIS A 103 36.440 8.374 3.914 1.00 13.39 H new ATOM 0 HA HIS A 103 37.154 8.738 6.581 1.00 13.99 H new ATOM 0 HB2 HIS A 103 38.554 7.739 4.754 1.00 13.97 H new ATOM 0 HB3 HIS A 103 38.736 9.328 4.037 1.00 13.97 H new ATOM 0 HD2 HIS A 103 41.046 10.568 4.876 1.00 15.09 H new ATOM 0 HE1 HIS A 103 41.576 8.494 8.514 1.00 15.47 H new ATOM 0 HE2 HIS A 103 42.618 10.250 6.968 1.00 15.66 H new ATOM 1307 N HIS A 104 36.906 11.542 4.900 1.00 14.37 N ATOM 1308 CA HIS A 104 36.902 12.993 5.048 1.00 14.93 C ATOM 1309 C HIS A 104 35.591 13.466 5.667 1.00 14.91 C ATOM 1310 O HIS A 104 34.564 12.895 5.337 1.00 15.19 O ATOM 1311 CB HIS A 104 37.094 13.658 3.684 1.00 15.24 C ATOM 1312 CG HIS A 104 37.210 15.156 3.760 1.00 15.94 C ATOM 1313 ND1 HIS A 104 38.281 15.784 4.373 1.00 16.16 N ATOM 1314 CD2 HIS A 104 36.396 16.164 3.302 1.00 16.62 C ATOM 1315 CE1 HIS A 104 38.087 17.111 4.270 1.00 16.93 C ATOM 1316 NE2 HIS A 104 36.952 17.398 3.627 1.00 17.23 N ATOM 1317 OXT HIS A 104 35.632 14.390 6.461 1.00 14.76 O ATOM 0 H HIS A 104 36.562 11.205 4.001 1.00 14.37 H new ATOM 0 HA HIS A 104 37.723 13.274 5.707 1.00 14.93 H new ATOM 0 HB2 HIS A 104 37.992 13.255 3.215 1.00 15.24 H new ATOM 0 HB3 HIS A 104 36.254 13.398 3.040 1.00 15.24 H new ATOM 0 HD2 HIS A 104 35.467 16.021 2.771 1.00 16.62 H new ATOM 0 HE1 HIS A 104 38.767 17.854 4.660 1.00 16.93 H new ATOM 0 HE2 HIS A 104 36.574 18.322 3.419 1.00 17.23 H new TER 1325 HIS A 104