USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 680 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 41 MET CE :methyl 152:sc= -0.236 (180deg=-0.941) USER MOD Set 1.2: A 49 MET CE :methyl -145:sc= -4.32! (180deg=-5.74!) USER MOD Set 2.1: A 33 MET CE :methyl -113:sc= 0 (180deg=-0.437) USER MOD Set 2.2: A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 ASN : amide:sc= -0.0419 X(o=-0.042,f=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.012 USER MOD Single : A 19 TYR OH : rot 14:sc= 1.27 USER MOD Single : A 26 SER OG : rot 37:sc= 0.342! USER MOD Single : A 28 ASN : amide:sc= 0.715 K(o=0.71,f=-4.9!) USER MOD Single : A 31 ASN : amide:sc=-0.00352 X(o=-0.0035,f=-0.0035) USER MOD Single : A 39 ASN : amide:sc= -0.0711 K(o=-0.071,f=-1.7!) USER MOD Single : A 44 SER OG : rot 180:sc= 0.116 USER MOD Single : A 47 LYS NZ :NH3+ -176:sc= 1.17 (180deg=1.16) USER MOD Single : A 48 LYS NZ :NH3+ -125:sc= 1.09 (180deg=-0.0919) USER MOD Single : A 55 MET CE :methyl 160:sc= -0.407 (180deg=-1.16) USER MOD Single : A 56 ASN : amide:sc= -0.297 K(o=-0.3,f=-2.7!) USER MOD Single : A 58 SER OG : rot 180:sc= 0.189 USER MOD Single : A 62 THR OG1 : rot 71:sc= 1.32 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -135:sc= 1.24 (180deg=-0.553) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -150:sc= -0.138 (180deg=-0.889) USER MOD Single : A 80 THR OG1 : rot 110:sc= -0.486 USER MOD Single : A 85 SER OG : rot 133:sc= 0.154 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -122:sc= 0.924 (180deg=-0.354!) USER MOD Single : A 89 SER OG : rot 67:sc= -0.627 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 11 17.734 1.016 2.599 1.00 3.94 N ATOM 2 CA GLU A 11 16.634 0.206 2.085 1.00 3.58 C ATOM 3 C GLU A 11 15.534 1.083 1.491 1.00 2.90 C ATOM 4 O GLU A 11 14.378 1.038 1.917 1.00 3.21 O ATOM 5 CB GLU A 11 16.073 -0.684 3.190 1.00 4.35 C ATOM 6 CG GLU A 11 16.015 -2.154 2.813 1.00 5.21 C ATOM 7 CD GLU A 11 17.060 -2.548 1.783 1.00 5.91 C ATOM 8 OE1 GLU A 11 18.261 -2.304 2.031 1.00 6.57 O ATOM 9 OE2 GLU A 11 16.694 -3.093 0.721 1.00 6.06 O ATOM 0 HA GLU A 11 17.022 -0.427 1.287 1.00 3.58 H new ATOM 0 HB2 GLU A 11 16.686 -0.570 4.084 1.00 4.35 H new ATOM 0 HB3 GLU A 11 15.070 -0.343 3.446 1.00 4.35 H new ATOM 0 HG2 GLU A 11 16.152 -2.758 3.710 1.00 5.21 H new ATOM 0 HG3 GLU A 11 15.024 -2.384 2.422 1.00 5.21 H new ATOM 16 N LEU A 12 15.911 1.885 0.506 1.00 2.57 N ATOM 17 CA LEU A 12 14.972 2.791 -0.153 1.00 2.59 C ATOM 18 C LEU A 12 14.009 2.027 -1.059 1.00 1.93 C ATOM 19 O LEU A 12 13.037 2.585 -1.571 1.00 2.11 O ATOM 20 CB LEU A 12 15.731 3.841 -0.966 1.00 3.54 C ATOM 21 CG LEU A 12 16.123 5.106 -0.190 1.00 4.47 C ATOM 22 CD1 LEU A 12 17.098 5.965 -0.995 1.00 5.39 C ATOM 23 CD2 LEU A 12 14.878 5.903 0.188 1.00 5.10 C ATOM 0 H LEU A 12 16.863 1.929 0.142 1.00 2.57 H new ATOM 0 HA LEU A 12 14.388 3.289 0.621 1.00 2.59 H new ATOM 0 HB2 LEU A 12 16.636 3.384 -1.366 1.00 3.54 H new ATOM 0 HB3 LEU A 12 15.117 4.132 -1.818 1.00 3.54 H new ATOM 0 HG LEU A 12 16.629 4.802 0.726 1.00 4.47 H new ATOM 0 HD11 LEU A 12 17.359 6.854 -0.421 1.00 5.39 H new ATOM 0 HD12 LEU A 12 18.001 5.391 -1.205 1.00 5.39 H new ATOM 0 HD13 LEU A 12 16.631 6.263 -1.934 1.00 5.39 H new ATOM 0 HD21 LEU A 12 15.171 6.797 0.738 1.00 5.10 H new ATOM 0 HD22 LEU A 12 14.343 6.192 -0.716 1.00 5.10 H new ATOM 0 HD23 LEU A 12 14.229 5.289 0.813 1.00 5.10 H new ATOM 35 N ASN A 13 14.281 0.742 -1.239 1.00 1.62 N ATOM 36 CA ASN A 13 13.442 -0.116 -2.066 1.00 1.41 C ATOM 37 C ASN A 13 12.326 -0.723 -1.224 1.00 1.08 C ATOM 38 O ASN A 13 11.645 -1.652 -1.653 1.00 1.16 O ATOM 39 CB ASN A 13 14.282 -1.226 -2.710 1.00 2.03 C ATOM 40 CG ASN A 13 13.900 -1.489 -4.151 1.00 2.40 C ATOM 41 OD1 ASN A 13 13.190 -2.450 -4.455 1.00 2.71 O ATOM 42 ND2 ASN A 13 14.371 -0.640 -5.049 1.00 3.15 N ATOM 0 H ASN A 13 15.081 0.268 -0.821 1.00 1.62 H new ATOM 0 HA ASN A 13 12.999 0.488 -2.858 1.00 1.41 H new ATOM 0 HB2 ASN A 13 15.336 -0.952 -2.662 1.00 2.03 H new ATOM 0 HB3 ASN A 13 14.165 -2.144 -2.134 1.00 2.03 H new ATOM 0 HD21 ASN A 13 14.150 -0.767 -6.037 1.00 3.15 H new ATOM 0 HD22 ASN A 13 14.955 0.142 -4.754 1.00 3.15 H new ATOM 49 N ASN A 14 12.143 -0.173 -0.023 1.00 0.88 N ATOM 50 CA ASN A 14 11.112 -0.626 0.910 1.00 0.81 C ATOM 51 C ASN A 14 9.721 -0.468 0.305 1.00 0.64 C ATOM 52 O ASN A 14 8.767 -1.098 0.763 1.00 0.66 O ATOM 53 CB ASN A 14 11.193 0.166 2.224 1.00 0.96 C ATOM 54 CG ASN A 14 10.604 1.565 2.105 1.00 1.62 C ATOM 55 OD1 ASN A 14 11.271 2.487 1.641 1.00 2.24 O ATOM 56 ND2 ASN A 14 9.352 1.734 2.514 1.00 2.24 N ATOM 0 H ASN A 14 12.707 0.600 0.330 1.00 0.88 H new ATOM 0 HA ASN A 14 11.288 -1.682 1.114 1.00 0.81 H new ATOM 0 HB2 ASN A 14 10.665 -0.380 3.006 1.00 0.96 H new ATOM 0 HB3 ASN A 14 12.235 0.240 2.535 1.00 0.96 H new ATOM 0 HD21 ASN A 14 8.914 2.653 2.448 1.00 2.24 H new ATOM 0 HD22 ASN A 14 8.829 0.945 2.894 1.00 2.24 H new ATOM 63 N LEU A 15 9.620 0.367 -0.728 1.00 0.56 N ATOM 64 CA LEU A 15 8.356 0.616 -1.411 1.00 0.48 C ATOM 65 C LEU A 15 7.778 -0.691 -1.951 1.00 0.37 C ATOM 66 O LEU A 15 6.560 -0.868 -2.025 1.00 0.33 O ATOM 67 CB LEU A 15 8.567 1.603 -2.557 1.00 0.58 C ATOM 68 CG LEU A 15 7.474 2.657 -2.727 1.00 0.65 C ATOM 69 CD1 LEU A 15 8.032 3.914 -3.380 1.00 0.91 C ATOM 70 CD2 LEU A 15 6.316 2.099 -3.535 1.00 0.60 C ATOM 0 H LEU A 15 10.409 0.887 -1.112 1.00 0.56 H new ATOM 0 HA LEU A 15 7.652 1.043 -0.697 1.00 0.48 H new ATOM 0 HB2 LEU A 15 9.518 2.113 -2.404 1.00 0.58 H new ATOM 0 HB3 LEU A 15 8.653 1.040 -3.487 1.00 0.58 H new ATOM 0 HG LEU A 15 7.103 2.927 -1.738 1.00 0.65 H new ATOM 0 HD11 LEU A 15 7.236 4.650 -3.491 1.00 0.91 H new ATOM 0 HD12 LEU A 15 8.824 4.327 -2.756 1.00 0.91 H new ATOM 0 HD13 LEU A 15 8.436 3.666 -4.361 1.00 0.91 H new ATOM 0 HD21 LEU A 15 5.547 2.864 -3.646 1.00 0.60 H new ATOM 0 HD22 LEU A 15 6.672 1.797 -4.520 1.00 0.60 H new ATOM 0 HD23 LEU A 15 5.896 1.235 -3.020 1.00 0.60 H new ATOM 82 N ARG A 16 8.668 -1.607 -2.309 1.00 0.36 N ATOM 83 CA ARG A 16 8.273 -2.908 -2.825 1.00 0.33 C ATOM 84 C ARG A 16 7.572 -3.713 -1.739 1.00 0.27 C ATOM 85 O ARG A 16 6.587 -4.407 -2.003 1.00 0.28 O ATOM 86 CB ARG A 16 9.502 -3.665 -3.341 1.00 0.40 C ATOM 87 CG ARG A 16 9.209 -5.078 -3.809 1.00 0.65 C ATOM 88 CD ARG A 16 10.173 -6.076 -3.197 1.00 1.29 C ATOM 89 NE ARG A 16 9.656 -6.639 -1.952 1.00 2.05 N ATOM 90 CZ ARG A 16 10.293 -6.609 -0.782 1.00 2.78 C ATOM 91 NH1 ARG A 16 11.476 -6.015 -0.666 1.00 3.11 N ATOM 92 NH2 ARG A 16 9.730 -7.175 0.280 1.00 3.67 N ATOM 0 H ARG A 16 9.677 -1.469 -2.250 1.00 0.36 H new ATOM 0 HA ARG A 16 7.579 -2.763 -3.653 1.00 0.33 H new ATOM 0 HB2 ARG A 16 9.940 -3.104 -4.166 1.00 0.40 H new ATOM 0 HB3 ARG A 16 10.250 -3.704 -2.549 1.00 0.40 H new ATOM 0 HG2 ARG A 16 8.187 -5.347 -3.542 1.00 0.65 H new ATOM 0 HG3 ARG A 16 9.277 -5.124 -4.896 1.00 0.65 H new ATOM 0 HD2 ARG A 16 10.363 -6.880 -3.908 1.00 1.29 H new ATOM 0 HD3 ARG A 16 11.128 -5.588 -3.005 1.00 1.29 H new ATOM 0 HE ARG A 16 8.741 -7.088 -1.980 1.00 2.05 H new ATOM 0 HH11 ARG A 16 11.907 -5.575 -1.479 1.00 3.11 H new ATOM 0 HH12 ARG A 16 11.953 -5.999 0.236 1.00 3.11 H new ATOM 0 HH21 ARG A 16 8.819 -7.626 0.195 1.00 3.67 H new ATOM 0 HH22 ARG A 16 10.208 -7.158 1.181 1.00 3.67 H new ATOM 106 N MET A 17 8.073 -3.599 -0.511 1.00 0.28 N ATOM 107 CA MET A 17 7.485 -4.303 0.618 1.00 0.32 C ATOM 108 C MET A 17 6.102 -3.740 0.914 1.00 0.25 C ATOM 109 O MET A 17 5.187 -4.474 1.277 1.00 0.27 O ATOM 110 CB MET A 17 8.366 -4.187 1.866 1.00 0.45 C ATOM 111 CG MET A 17 8.023 -5.196 2.953 1.00 0.81 C ATOM 112 SD MET A 17 9.488 -5.860 3.764 1.00 1.96 S ATOM 113 CE MET A 17 9.404 -5.038 5.352 1.00 2.93 C ATOM 0 H MET A 17 8.883 -3.026 -0.276 1.00 0.28 H new ATOM 0 HA MET A 17 7.405 -5.357 0.354 1.00 0.32 H new ATOM 0 HB2 MET A 17 9.409 -4.318 1.577 1.00 0.45 H new ATOM 0 HB3 MET A 17 8.272 -3.181 2.274 1.00 0.45 H new ATOM 0 HG2 MET A 17 7.384 -4.721 3.697 1.00 0.81 H new ATOM 0 HG3 MET A 17 7.450 -6.015 2.517 1.00 0.81 H new ATOM 0 HE1 MET A 17 10.248 -5.349 5.968 1.00 2.93 H new ATOM 0 HE2 MET A 17 9.440 -3.959 5.205 1.00 2.93 H new ATOM 0 HE3 MET A 17 8.473 -5.305 5.851 1.00 2.93 H new ATOM 123 N THR A 18 5.962 -2.432 0.736 1.00 0.21 N ATOM 124 CA THR A 18 4.698 -1.746 0.962 1.00 0.20 C ATOM 125 C THR A 18 3.608 -2.294 0.044 1.00 0.19 C ATOM 126 O THR A 18 2.533 -2.678 0.502 1.00 0.23 O ATOM 127 CB THR A 18 4.856 -0.235 0.718 1.00 0.27 C ATOM 128 OG1 THR A 18 6.092 0.218 1.294 1.00 0.38 O ATOM 129 CG2 THR A 18 3.691 0.545 1.311 1.00 0.30 C ATOM 0 H THR A 18 6.719 -1.820 0.432 1.00 0.21 H new ATOM 0 HA THR A 18 4.407 -1.918 1.998 1.00 0.20 H new ATOM 0 HB THR A 18 4.865 -0.060 -0.358 1.00 0.27 H new ATOM 0 HG1 THR A 18 6.193 1.180 1.137 1.00 0.38 H new ATOM 0 HG21 THR A 18 3.832 1.609 1.122 1.00 0.30 H new ATOM 0 HG22 THR A 18 2.760 0.215 0.850 1.00 0.30 H new ATOM 0 HG23 THR A 18 3.646 0.370 2.386 1.00 0.30 H new ATOM 137 N TYR A 19 3.906 -2.338 -1.253 1.00 0.21 N ATOM 138 CA TYR A 19 2.960 -2.845 -2.241 1.00 0.28 C ATOM 139 C TYR A 19 2.642 -4.313 -1.971 1.00 0.31 C ATOM 140 O TYR A 19 1.485 -4.735 -2.044 1.00 0.36 O ATOM 141 CB TYR A 19 3.528 -2.673 -3.656 1.00 0.35 C ATOM 142 CG TYR A 19 2.934 -3.601 -4.694 1.00 0.36 C ATOM 143 CD1 TYR A 19 1.689 -3.346 -5.249 1.00 0.32 C ATOM 144 CD2 TYR A 19 3.638 -4.714 -5.137 1.00 0.52 C ATOM 145 CE1 TYR A 19 1.153 -4.184 -6.211 1.00 0.39 C ATOM 146 CE2 TYR A 19 3.110 -5.558 -6.095 1.00 0.59 C ATOM 147 CZ TYR A 19 1.872 -5.287 -6.633 1.00 0.52 C ATOM 148 OH TYR A 19 1.358 -6.128 -7.593 1.00 0.61 O ATOM 0 H TYR A 19 4.796 -2.028 -1.643 1.00 0.21 H new ATOM 0 HA TYR A 19 2.036 -2.272 -2.163 1.00 0.28 H new ATOM 0 HB2 TYR A 19 3.367 -1.643 -3.975 1.00 0.35 H new ATOM 0 HB3 TYR A 19 4.606 -2.831 -3.622 1.00 0.35 H new ATOM 0 HD1 TYR A 19 1.129 -2.481 -4.926 1.00 0.32 H new ATOM 0 HD2 TYR A 19 4.614 -4.923 -4.726 1.00 0.52 H new ATOM 0 HE1 TYR A 19 0.179 -3.978 -6.630 1.00 0.39 H new ATOM 0 HE2 TYR A 19 3.665 -6.425 -6.420 1.00 0.59 H new ATOM 0 HH TYR A 19 0.594 -5.697 -8.030 1.00 0.61 H new ATOM 158 N GLU A 20 3.675 -5.079 -1.639 1.00 0.32 N ATOM 159 CA GLU A 20 3.519 -6.497 -1.342 1.00 0.40 C ATOM 160 C GLU A 20 2.626 -6.686 -0.124 1.00 0.35 C ATOM 161 O GLU A 20 1.704 -7.505 -0.135 1.00 0.35 O ATOM 162 CB GLU A 20 4.883 -7.136 -1.084 1.00 0.51 C ATOM 163 CG GLU A 20 5.437 -7.916 -2.264 1.00 1.21 C ATOM 164 CD GLU A 20 6.896 -8.274 -2.086 1.00 1.65 C ATOM 165 OE1 GLU A 20 7.408 -8.150 -0.953 1.00 2.35 O ATOM 166 OE2 GLU A 20 7.543 -8.684 -3.071 1.00 1.93 O ATOM 0 H GLU A 20 4.634 -4.739 -1.569 1.00 0.32 H new ATOM 0 HA GLU A 20 3.055 -6.981 -2.202 1.00 0.40 H new ATOM 0 HB2 GLU A 20 5.593 -6.354 -0.814 1.00 0.51 H new ATOM 0 HB3 GLU A 20 4.803 -7.804 -0.226 1.00 0.51 H new ATOM 0 HG2 GLU A 20 4.856 -8.828 -2.398 1.00 1.21 H new ATOM 0 HG3 GLU A 20 5.319 -7.326 -3.173 1.00 1.21 H new ATOM 173 N ARG A 21 2.904 -5.916 0.917 1.00 0.33 N ATOM 174 CA ARG A 21 2.140 -5.979 2.150 1.00 0.32 C ATOM 175 C ARG A 21 0.679 -5.622 1.913 1.00 0.26 C ATOM 176 O ARG A 21 -0.210 -6.187 2.541 1.00 0.29 O ATOM 177 CB ARG A 21 2.739 -5.017 3.174 1.00 0.34 C ATOM 178 CG ARG A 21 2.052 -5.052 4.526 1.00 0.48 C ATOM 179 CD ARG A 21 3.033 -5.411 5.629 1.00 0.87 C ATOM 180 NE ARG A 21 2.472 -6.390 6.561 1.00 1.73 N ATOM 181 CZ ARG A 21 2.441 -6.233 7.885 1.00 2.60 C ATOM 182 NH1 ARG A 21 2.891 -5.109 8.428 1.00 2.99 N ATOM 183 NH2 ARG A 21 1.942 -7.185 8.664 1.00 3.57 N ATOM 0 H ARG A 21 3.662 -5.234 0.930 1.00 0.33 H new ATOM 0 HA ARG A 21 2.186 -7.001 2.527 1.00 0.32 H new ATOM 0 HB2 ARG A 21 3.794 -5.255 3.307 1.00 0.34 H new ATOM 0 HB3 ARG A 21 2.689 -4.003 2.778 1.00 0.34 H new ATOM 0 HG2 ARG A 21 1.604 -4.080 4.735 1.00 0.48 H new ATOM 0 HG3 ARG A 21 1.240 -5.779 4.506 1.00 0.48 H new ATOM 0 HD2 ARG A 21 3.945 -5.812 5.187 1.00 0.87 H new ATOM 0 HD3 ARG A 21 3.312 -4.509 6.174 1.00 0.87 H new ATOM 0 HE ARG A 21 2.079 -7.248 6.173 1.00 1.73 H new ATOM 0 HH11 ARG A 21 3.260 -4.367 7.833 1.00 2.99 H new ATOM 0 HH12 ARG A 21 2.868 -4.987 9.440 1.00 2.99 H new ATOM 0 HH21 ARG A 21 1.579 -8.044 8.251 1.00 3.57 H new ATOM 0 HH22 ARG A 21 1.922 -7.058 9.676 1.00 3.57 H new ATOM 197 N LEU A 22 0.437 -4.693 1.001 1.00 0.22 N ATOM 198 CA LEU A 22 -0.924 -4.279 0.694 1.00 0.20 C ATOM 199 C LEU A 22 -1.655 -5.351 -0.097 1.00 0.23 C ATOM 200 O LEU A 22 -2.841 -5.575 0.114 1.00 0.24 O ATOM 201 CB LEU A 22 -0.911 -2.967 -0.077 1.00 0.22 C ATOM 202 CG LEU A 22 -0.842 -1.726 0.799 1.00 0.24 C ATOM 203 CD1 LEU A 22 -0.047 -0.637 0.095 1.00 0.27 C ATOM 204 CD2 LEU A 22 -2.246 -1.246 1.147 1.00 0.33 C ATOM 0 H LEU A 22 1.160 -4.214 0.464 1.00 0.22 H new ATOM 0 HA LEU A 22 -1.457 -4.132 1.634 1.00 0.20 H new ATOM 0 HB2 LEU A 22 -0.058 -2.966 -0.755 1.00 0.22 H new ATOM 0 HB3 LEU A 22 -1.808 -2.913 -0.693 1.00 0.22 H new ATOM 0 HG LEU A 22 -0.332 -1.973 1.730 1.00 0.24 H new ATOM 0 HD11 LEU A 22 -0.002 0.248 0.729 1.00 0.27 H new ATOM 0 HD12 LEU A 22 0.964 -0.994 -0.102 1.00 0.27 H new ATOM 0 HD13 LEU A 22 -0.532 -0.384 -0.848 1.00 0.27 H new ATOM 0 HD21 LEU A 22 -2.182 -0.357 1.774 1.00 0.33 H new ATOM 0 HD22 LEU A 22 -2.786 -1.005 0.231 1.00 0.33 H new ATOM 0 HD23 LEU A 22 -2.776 -2.032 1.685 1.00 0.33 H new ATOM 216 N ARG A 23 -0.946 -6.023 -0.989 1.00 0.27 N ATOM 217 CA ARG A 23 -1.553 -7.078 -1.787 1.00 0.32 C ATOM 218 C ARG A 23 -1.832 -8.294 -0.918 1.00 0.31 C ATOM 219 O ARG A 23 -2.877 -8.936 -1.039 1.00 0.34 O ATOM 220 CB ARG A 23 -0.644 -7.457 -2.956 1.00 0.39 C ATOM 221 CG ARG A 23 -1.384 -8.079 -4.132 1.00 0.82 C ATOM 222 CD ARG A 23 -0.616 -7.904 -5.434 1.00 1.40 C ATOM 223 NE ARG A 23 -0.475 -9.170 -6.160 1.00 1.98 N ATOM 224 CZ ARG A 23 -1.042 -9.418 -7.337 1.00 2.61 C ATOM 225 NH1 ARG A 23 -1.728 -8.462 -7.959 1.00 3.01 N ATOM 226 NH2 ARG A 23 -0.913 -10.615 -7.895 1.00 3.33 N ATOM 0 H ARG A 23 0.043 -5.860 -1.179 1.00 0.27 H new ATOM 0 HA ARG A 23 -2.496 -6.710 -2.191 1.00 0.32 H new ATOM 0 HB2 ARG A 23 -0.119 -6.566 -3.299 1.00 0.39 H new ATOM 0 HB3 ARG A 23 0.113 -8.157 -2.603 1.00 0.39 H new ATOM 0 HG2 ARG A 23 -1.542 -9.141 -3.942 1.00 0.82 H new ATOM 0 HG3 ARG A 23 -2.369 -7.622 -4.226 1.00 0.82 H new ATOM 0 HD2 ARG A 23 -1.131 -7.179 -6.065 1.00 1.40 H new ATOM 0 HD3 ARG A 23 0.372 -7.496 -5.221 1.00 1.40 H new ATOM 0 HE ARG A 23 0.092 -9.905 -5.737 1.00 1.98 H new ATOM 0 HH11 ARG A 23 -1.819 -7.540 -7.533 1.00 3.01 H new ATOM 0 HH12 ARG A 23 -2.163 -8.652 -8.862 1.00 3.01 H new ATOM 0 HH21 ARG A 23 -0.379 -11.344 -7.421 1.00 3.33 H new ATOM 0 HH22 ARG A 23 -1.348 -10.806 -8.798 1.00 3.33 H new ATOM 240 N GLU A 24 -0.909 -8.583 -0.014 1.00 0.31 N ATOM 241 CA GLU A 24 -1.068 -9.705 0.897 1.00 0.33 C ATOM 242 C GLU A 24 -2.174 -9.410 1.903 1.00 0.28 C ATOM 243 O GLU A 24 -2.914 -10.307 2.313 1.00 0.30 O ATOM 244 CB GLU A 24 0.240 -9.989 1.628 1.00 0.38 C ATOM 245 CG GLU A 24 0.432 -11.459 1.968 1.00 0.61 C ATOM 246 CD GLU A 24 0.861 -12.288 0.779 1.00 1.63 C ATOM 247 OE1 GLU A 24 0.081 -12.396 -0.195 1.00 2.36 O ATOM 248 OE2 GLU A 24 1.970 -12.855 0.818 1.00 2.24 O ATOM 0 H GLU A 24 -0.044 -8.057 0.108 1.00 0.31 H new ATOM 0 HA GLU A 24 -1.341 -10.586 0.317 1.00 0.33 H new ATOM 0 HB2 GLU A 24 1.073 -9.654 1.010 1.00 0.38 H new ATOM 0 HB3 GLU A 24 0.269 -9.404 2.547 1.00 0.38 H new ATOM 0 HG2 GLU A 24 1.180 -11.550 2.756 1.00 0.61 H new ATOM 0 HG3 GLU A 24 -0.501 -11.859 2.366 1.00 0.61 H new ATOM 255 N LEU A 25 -2.297 -8.141 2.281 1.00 0.24 N ATOM 256 CA LEU A 25 -3.326 -7.723 3.222 1.00 0.22 C ATOM 257 C LEU A 25 -4.674 -7.680 2.510 1.00 0.18 C ATOM 258 O LEU A 25 -5.708 -7.954 3.107 1.00 0.20 O ATOM 259 CB LEU A 25 -3.000 -6.338 3.797 1.00 0.22 C ATOM 260 CG LEU A 25 -3.260 -6.136 5.294 1.00 0.25 C ATOM 261 CD1 LEU A 25 -3.988 -4.822 5.522 1.00 0.28 C ATOM 262 CD2 LEU A 25 -4.033 -7.305 5.886 1.00 0.28 C ATOM 0 H LEU A 25 -1.696 -7.386 1.949 1.00 0.24 H new ATOM 0 HA LEU A 25 -3.365 -8.439 4.043 1.00 0.22 H new ATOM 0 HB2 LEU A 25 -1.948 -6.128 3.603 1.00 0.22 H new ATOM 0 HB3 LEU A 25 -3.580 -5.596 3.248 1.00 0.22 H new ATOM 0 HG LEU A 25 -2.300 -6.094 5.808 1.00 0.25 H new ATOM 0 HD11 LEU A 25 -4.169 -4.686 6.588 1.00 0.28 H new ATOM 0 HD12 LEU A 25 -3.378 -3.999 5.150 1.00 0.28 H new ATOM 0 HD13 LEU A 25 -4.940 -4.837 4.992 1.00 0.28 H new ATOM 0 HD21 LEU A 25 -4.200 -7.130 6.949 1.00 0.28 H new ATOM 0 HD22 LEU A 25 -4.993 -7.401 5.378 1.00 0.28 H new ATOM 0 HD23 LEU A 25 -3.460 -8.223 5.756 1.00 0.28 H new ATOM 274 N SER A 26 -4.642 -7.352 1.223 1.00 0.17 N ATOM 275 CA SER A 26 -5.843 -7.286 0.403 1.00 0.16 C ATOM 276 C SER A 26 -6.463 -8.673 0.290 1.00 0.19 C ATOM 277 O SER A 26 -7.684 -8.834 0.306 1.00 0.22 O ATOM 278 CB SER A 26 -5.499 -6.735 -0.992 1.00 0.19 C ATOM 279 OG SER A 26 -6.002 -5.427 -1.166 1.00 0.86 O ATOM 0 H SER A 26 -3.784 -7.125 0.721 1.00 0.17 H new ATOM 0 HA SER A 26 -6.563 -6.615 0.872 1.00 0.16 H new ATOM 0 HB2 SER A 26 -4.417 -6.732 -1.127 1.00 0.19 H new ATOM 0 HB3 SER A 26 -5.914 -7.391 -1.757 1.00 0.19 H new ATOM 0 HG SER A 26 -5.928 -4.933 -0.323 1.00 0.86 H new ATOM 285 N LEU A 27 -5.610 -9.681 0.212 1.00 0.23 N ATOM 286 CA LEU A 27 -6.062 -11.057 0.122 1.00 0.28 C ATOM 287 C LEU A 27 -6.505 -11.572 1.487 1.00 0.29 C ATOM 288 O LEU A 27 -7.381 -12.426 1.584 1.00 0.34 O ATOM 289 CB LEU A 27 -4.956 -11.938 -0.448 1.00 0.33 C ATOM 290 CG LEU A 27 -5.143 -12.367 -1.910 1.00 0.42 C ATOM 291 CD1 LEU A 27 -5.504 -11.180 -2.795 1.00 0.54 C ATOM 292 CD2 LEU A 27 -3.891 -13.052 -2.424 1.00 0.60 C ATOM 0 H LEU A 27 -4.596 -9.570 0.209 1.00 0.23 H new ATOM 0 HA LEU A 27 -6.920 -11.094 -0.549 1.00 0.28 H new ATOM 0 HB2 LEU A 27 -4.009 -11.405 -0.362 1.00 0.33 H new ATOM 0 HB3 LEU A 27 -4.874 -12.834 0.168 1.00 0.33 H new ATOM 0 HG LEU A 27 -5.971 -13.075 -1.948 1.00 0.42 H new ATOM 0 HD11 LEU A 27 -5.629 -11.518 -3.824 1.00 0.54 H new ATOM 0 HD12 LEU A 27 -6.434 -10.734 -2.444 1.00 0.54 H new ATOM 0 HD13 LEU A 27 -4.707 -10.438 -2.752 1.00 0.54 H new ATOM 0 HD21 LEU A 27 -4.039 -13.350 -3.462 1.00 0.60 H new ATOM 0 HD22 LEU A 27 -3.048 -12.364 -2.361 1.00 0.60 H new ATOM 0 HD23 LEU A 27 -3.685 -13.935 -1.819 1.00 0.60 H new ATOM 304 N ASN A 28 -5.892 -11.043 2.540 1.00 0.28 N ATOM 305 CA ASN A 28 -6.221 -11.453 3.901 1.00 0.35 C ATOM 306 C ASN A 28 -7.532 -10.824 4.363 1.00 0.35 C ATOM 307 O ASN A 28 -8.484 -11.530 4.679 1.00 0.42 O ATOM 308 CB ASN A 28 -5.098 -11.072 4.864 1.00 0.41 C ATOM 309 CG ASN A 28 -4.917 -12.085 5.977 1.00 0.84 C ATOM 310 OD1 ASN A 28 -5.393 -11.889 7.097 1.00 1.14 O ATOM 311 ND2 ASN A 28 -4.228 -13.175 5.678 1.00 1.31 N ATOM 0 H ASN A 28 -5.165 -10.330 2.478 1.00 0.28 H new ATOM 0 HA ASN A 28 -6.338 -12.537 3.901 1.00 0.35 H new ATOM 0 HB2 ASN A 28 -4.165 -10.977 4.309 1.00 0.41 H new ATOM 0 HB3 ASN A 28 -5.312 -10.095 5.298 1.00 0.41 H new ATOM 0 HD21 ASN A 28 -4.074 -13.892 6.387 1.00 1.31 H new ATOM 0 HD22 ASN A 28 -3.851 -13.298 4.738 1.00 1.31 H new ATOM 318 N LEU A 29 -7.580 -9.489 4.394 1.00 0.33 N ATOM 319 CA LEU A 29 -8.782 -8.770 4.823 1.00 0.38 C ATOM 320 C LEU A 29 -9.964 -9.109 3.940 1.00 0.40 C ATOM 321 O LEU A 29 -11.094 -9.171 4.408 1.00 0.49 O ATOM 322 CB LEU A 29 -8.566 -7.260 4.793 1.00 0.40 C ATOM 323 CG LEU A 29 -7.630 -6.714 5.864 1.00 0.38 C ATOM 324 CD1 LEU A 29 -7.188 -5.322 5.486 1.00 0.36 C ATOM 325 CD2 LEU A 29 -8.298 -6.697 7.229 1.00 0.39 C ATOM 0 H LEU A 29 -6.802 -8.886 4.128 1.00 0.33 H new ATOM 0 HA LEU A 29 -8.989 -9.084 5.846 1.00 0.38 H new ATOM 0 HB2 LEU A 29 -8.171 -6.986 3.815 1.00 0.40 H new ATOM 0 HB3 LEU A 29 -9.534 -6.769 4.895 1.00 0.40 H new ATOM 0 HG LEU A 29 -6.762 -7.370 5.927 1.00 0.38 H new ATOM 0 HD11 LEU A 29 -6.518 -4.932 6.253 1.00 0.36 H new ATOM 0 HD12 LEU A 29 -6.666 -5.353 4.530 1.00 0.36 H new ATOM 0 HD13 LEU A 29 -8.060 -4.674 5.402 1.00 0.36 H new ATOM 0 HD21 LEU A 29 -7.603 -6.302 7.970 1.00 0.39 H new ATOM 0 HD22 LEU A 29 -9.186 -6.066 7.192 1.00 0.39 H new ATOM 0 HD23 LEU A 29 -8.585 -7.711 7.506 1.00 0.39 H new ATOM 337 N GLY A 30 -9.693 -9.317 2.658 1.00 0.35 N ATOM 338 CA GLY A 30 -10.746 -9.638 1.719 1.00 0.43 C ATOM 339 C GLY A 30 -11.484 -10.919 2.075 1.00 0.53 C ATOM 340 O GLY A 30 -12.691 -11.010 1.858 1.00 0.65 O ATOM 0 H GLY A 30 -8.758 -9.268 2.252 1.00 0.35 H new ATOM 0 HA2 GLY A 30 -11.457 -8.813 1.682 1.00 0.43 H new ATOM 0 HA3 GLY A 30 -10.319 -9.736 0.721 1.00 0.43 H new ATOM 344 N ASN A 31 -10.769 -11.900 2.635 1.00 0.53 N ATOM 345 CA ASN A 31 -11.380 -13.168 3.037 1.00 0.66 C ATOM 346 C ASN A 31 -11.744 -13.126 4.524 1.00 0.71 C ATOM 347 O ASN A 31 -12.550 -13.927 5.010 1.00 0.84 O ATOM 348 CB ASN A 31 -10.420 -14.337 2.773 1.00 0.70 C ATOM 349 CG ASN A 31 -11.084 -15.688 2.965 1.00 1.17 C ATOM 350 OD1 ASN A 31 -11.934 -16.097 2.171 1.00 1.94 O ATOM 351 ND2 ASN A 31 -10.692 -16.392 4.015 1.00 1.52 N ATOM 0 H ASN A 31 -9.768 -11.839 2.819 1.00 0.53 H new ATOM 0 HA ASN A 31 -12.285 -13.317 2.448 1.00 0.66 H new ATOM 0 HB2 ASN A 31 -10.037 -14.265 1.755 1.00 0.70 H new ATOM 0 HB3 ASN A 31 -9.564 -14.258 3.443 1.00 0.70 H new ATOM 0 HD21 ASN A 31 -11.096 -17.311 4.192 1.00 1.52 H new ATOM 0 HD22 ASN A 31 -9.985 -16.015 4.647 1.00 1.52 H new ATOM 358 N ARG A 32 -11.164 -12.162 5.236 1.00 0.66 N ATOM 359 CA ARG A 32 -11.431 -11.983 6.659 1.00 0.77 C ATOM 360 C ARG A 32 -12.702 -11.173 6.838 1.00 0.86 C ATOM 361 O ARG A 32 -13.224 -11.033 7.948 1.00 1.01 O ATOM 362 CB ARG A 32 -10.262 -11.253 7.324 1.00 0.76 C ATOM 363 CG ARG A 32 -9.959 -11.739 8.730 1.00 0.91 C ATOM 364 CD ARG A 32 -8.574 -12.351 8.814 1.00 1.14 C ATOM 365 NE ARG A 32 -8.171 -12.607 10.191 1.00 2.09 N ATOM 366 CZ ARG A 32 -6.914 -12.831 10.570 1.00 2.75 C ATOM 367 NH1 ARG A 32 -5.926 -12.779 9.683 1.00 2.70 N ATOM 368 NH2 ARG A 32 -6.649 -13.089 11.844 1.00 3.82 N ATOM 0 H ARG A 32 -10.503 -11.490 4.847 1.00 0.66 H new ATOM 0 HA ARG A 32 -11.552 -12.961 7.125 1.00 0.77 H new ATOM 0 HB2 ARG A 32 -9.371 -11.374 6.707 1.00 0.76 H new ATOM 0 HB3 ARG A 32 -10.483 -10.186 7.358 1.00 0.76 H new ATOM 0 HG2 ARG A 32 -10.034 -10.906 9.429 1.00 0.91 H new ATOM 0 HG3 ARG A 32 -10.704 -12.476 9.031 1.00 0.91 H new ATOM 0 HD2 ARG A 32 -8.556 -13.285 8.252 1.00 1.14 H new ATOM 0 HD3 ARG A 32 -7.853 -11.682 8.344 1.00 1.14 H new ATOM 0 HE ARG A 32 -8.896 -12.615 10.908 1.00 2.09 H new ATOM 0 HH11 ARG A 32 -6.128 -12.567 8.706 1.00 2.70 H new ATOM 0 HH12 ARG A 32 -4.965 -12.951 9.979 1.00 2.70 H new ATOM 0 HH21 ARG A 32 -7.406 -13.115 12.527 1.00 3.82 H new ATOM 0 HH22 ARG A 32 -5.688 -13.261 12.140 1.00 3.82 H new ATOM 382 N MET A 33 -13.198 -10.662 5.728 1.00 0.83 N ATOM 383 CA MET A 33 -14.410 -9.877 5.712 1.00 0.96 C ATOM 384 C MET A 33 -15.605 -10.798 5.541 1.00 1.17 C ATOM 385 O MET A 33 -15.526 -11.800 4.827 1.00 1.55 O ATOM 386 CB MET A 33 -14.367 -8.857 4.566 1.00 0.80 C ATOM 387 CG MET A 33 -15.393 -7.746 4.709 1.00 0.95 C ATOM 388 SD MET A 33 -14.647 -6.107 4.781 1.00 1.18 S ATOM 389 CE MET A 33 -16.067 -5.082 4.377 1.00 1.84 C ATOM 0 H MET A 33 -12.768 -10.782 4.811 1.00 0.83 H new ATOM 0 HA MET A 33 -14.499 -9.337 6.655 1.00 0.96 H new ATOM 0 HB2 MET A 33 -13.371 -8.417 4.518 1.00 0.80 H new ATOM 0 HB3 MET A 33 -14.533 -9.375 3.622 1.00 0.80 H new ATOM 0 HG2 MET A 33 -16.086 -7.788 3.868 1.00 0.95 H new ATOM 0 HG3 MET A 33 -15.978 -7.913 5.613 1.00 0.95 H new ATOM 0 HE1 MET A 33 -15.908 -4.605 3.410 1.00 1.84 H new ATOM 0 HE2 MET A 33 -16.962 -5.702 4.333 1.00 1.84 H new ATOM 0 HE3 MET A 33 -16.193 -4.317 5.143 1.00 1.84 H new ATOM 399 N VAL A 34 -16.707 -10.454 6.191 1.00 1.22 N ATOM 400 CA VAL A 34 -17.936 -11.229 6.109 1.00 1.41 C ATOM 401 C VAL A 34 -19.102 -10.285 5.818 1.00 1.54 C ATOM 402 O VAL A 34 -19.465 -9.466 6.660 1.00 1.66 O ATOM 403 CB VAL A 34 -18.220 -12.018 7.414 1.00 1.65 C ATOM 404 CG1 VAL A 34 -19.422 -12.935 7.227 1.00 1.87 C ATOM 405 CG2 VAL A 34 -16.989 -12.815 7.836 1.00 1.64 C ATOM 0 H VAL A 34 -16.774 -9.631 6.789 1.00 1.22 H new ATOM 0 HA VAL A 34 -17.821 -11.957 5.306 1.00 1.41 H new ATOM 0 HB VAL A 34 -18.452 -11.308 8.207 1.00 1.65 H new ATOM 0 HG11 VAL A 34 -19.609 -13.482 8.151 1.00 1.87 H new ATOM 0 HG12 VAL A 34 -20.299 -12.339 6.974 1.00 1.87 H new ATOM 0 HG13 VAL A 34 -19.219 -13.641 6.422 1.00 1.87 H new ATOM 0 HG21 VAL A 34 -17.207 -13.362 8.753 1.00 1.64 H new ATOM 0 HG22 VAL A 34 -16.724 -13.519 7.048 1.00 1.64 H new ATOM 0 HG23 VAL A 34 -16.156 -12.134 8.009 1.00 1.64 H new ATOM 415 N PRO A 35 -19.689 -10.363 4.611 1.00 1.58 N ATOM 416 CA PRO A 35 -19.276 -11.319 3.579 1.00 1.51 C ATOM 417 C PRO A 35 -17.954 -10.937 2.917 1.00 1.32 C ATOM 418 O PRO A 35 -17.598 -9.757 2.867 1.00 1.30 O ATOM 419 CB PRO A 35 -20.417 -11.279 2.547 1.00 1.71 C ATOM 420 CG PRO A 35 -21.462 -10.352 3.090 1.00 1.86 C ATOM 421 CD PRO A 35 -20.814 -9.527 4.170 1.00 1.75 C ATOM 0 HA PRO A 35 -19.108 -12.308 4.005 1.00 1.51 H new ATOM 0 HB2 PRO A 35 -20.053 -10.927 1.582 1.00 1.71 H new ATOM 0 HB3 PRO A 35 -20.829 -12.275 2.388 1.00 1.71 H new ATOM 0 HG2 PRO A 35 -21.854 -9.711 2.300 1.00 1.86 H new ATOM 0 HG3 PRO A 35 -22.304 -10.916 3.491 1.00 1.86 H new ATOM 0 HD2 PRO A 35 -20.474 -8.564 3.790 1.00 1.75 H new ATOM 0 HD3 PRO A 35 -21.505 -9.321 4.987 1.00 1.75 H new ATOM 429 N PRO A 36 -17.201 -11.938 2.416 1.00 1.22 N ATOM 430 CA PRO A 36 -15.901 -11.719 1.763 1.00 1.08 C ATOM 431 C PRO A 36 -15.985 -10.742 0.605 1.00 1.17 C ATOM 432 O PRO A 36 -16.983 -10.695 -0.116 1.00 1.42 O ATOM 433 CB PRO A 36 -15.518 -13.104 1.255 1.00 1.12 C ATOM 434 CG PRO A 36 -16.243 -14.039 2.154 1.00 1.14 C ATOM 435 CD PRO A 36 -17.549 -13.368 2.465 1.00 1.27 C ATOM 0 HA PRO A 36 -15.176 -11.283 2.451 1.00 1.08 H new ATOM 0 HB2 PRO A 36 -15.814 -13.242 0.215 1.00 1.12 H new ATOM 0 HB3 PRO A 36 -14.440 -13.261 1.303 1.00 1.12 H new ATOM 0 HG2 PRO A 36 -16.403 -15.003 1.671 1.00 1.14 H new ATOM 0 HG3 PRO A 36 -15.673 -14.229 3.064 1.00 1.14 H new ATOM 0 HD2 PRO A 36 -18.318 -13.622 1.736 1.00 1.27 H new ATOM 0 HD3 PRO A 36 -17.930 -13.658 3.444 1.00 1.27 H new ATOM 443 N VAL A 37 -14.934 -9.955 0.445 1.00 0.99 N ATOM 444 CA VAL A 37 -14.877 -8.958 -0.611 1.00 1.08 C ATOM 445 C VAL A 37 -14.366 -9.563 -1.903 1.00 1.24 C ATOM 446 O VAL A 37 -14.725 -9.120 -3.001 1.00 2.02 O ATOM 447 CB VAL A 37 -13.953 -7.776 -0.234 1.00 0.81 C ATOM 448 CG1 VAL A 37 -14.336 -6.518 -0.996 1.00 0.95 C ATOM 449 CG2 VAL A 37 -13.959 -7.519 1.262 1.00 0.81 C ATOM 0 H VAL A 37 -14.104 -9.988 1.037 1.00 0.99 H new ATOM 0 HA VAL A 37 -15.895 -8.593 -0.745 1.00 1.08 H new ATOM 0 HB VAL A 37 -12.938 -8.053 -0.520 1.00 0.81 H new ATOM 0 HG11 VAL A 37 -13.670 -5.703 -0.711 1.00 0.95 H new ATOM 0 HG12 VAL A 37 -14.249 -6.701 -2.067 1.00 0.95 H new ATOM 0 HG13 VAL A 37 -15.364 -6.247 -0.757 1.00 0.95 H new ATOM 0 HG21 VAL A 37 -13.299 -6.682 1.490 1.00 0.81 H new ATOM 0 HG22 VAL A 37 -14.972 -7.281 1.586 1.00 0.81 H new ATOM 0 HG23 VAL A 37 -13.610 -8.409 1.785 1.00 0.81 H new ATOM 459 N GLY A 38 -13.509 -10.557 -1.767 1.00 1.18 N ATOM 460 CA GLY A 38 -12.932 -11.190 -2.924 1.00 1.27 C ATOM 461 C GLY A 38 -11.793 -10.352 -3.458 1.00 1.09 C ATOM 462 O GLY A 38 -10.627 -10.613 -3.167 1.00 1.23 O ATOM 0 H GLY A 38 -13.202 -10.937 -0.871 1.00 1.18 H new ATOM 0 HA2 GLY A 38 -12.571 -12.185 -2.662 1.00 1.27 H new ATOM 0 HA3 GLY A 38 -13.692 -11.319 -3.695 1.00 1.27 H new ATOM 466 N ASN A 39 -12.138 -9.311 -4.189 1.00 0.92 N ATOM 467 CA ASN A 39 -11.152 -8.392 -4.719 1.00 0.82 C ATOM 468 C ASN A 39 -11.158 -7.150 -3.851 1.00 0.64 C ATOM 469 O ASN A 39 -11.889 -6.193 -4.123 1.00 0.74 O ATOM 470 CB ASN A 39 -11.459 -8.023 -6.173 1.00 0.99 C ATOM 471 CG ASN A 39 -10.266 -7.406 -6.880 1.00 1.44 C ATOM 472 OD1 ASN A 39 -9.129 -7.523 -6.423 1.00 2.12 O ATOM 473 ND2 ASN A 39 -10.514 -6.745 -8.001 1.00 2.13 N ATOM 0 H ASN A 39 -13.102 -9.080 -4.431 1.00 0.92 H new ATOM 0 HA ASN A 39 -10.170 -8.865 -4.707 1.00 0.82 H new ATOM 0 HB2 ASN A 39 -11.775 -8.916 -6.712 1.00 0.99 H new ATOM 0 HB3 ASN A 39 -12.294 -7.323 -6.198 1.00 0.99 H new ATOM 0 HD21 ASN A 39 -9.749 -6.311 -8.517 1.00 2.13 H new ATOM 0 HD22 ASN A 39 -11.470 -6.670 -8.348 1.00 2.13 H new ATOM 480 N PHE A 40 -10.369 -7.195 -2.784 1.00 0.46 N ATOM 481 CA PHE A 40 -10.275 -6.098 -1.820 1.00 0.32 C ATOM 482 C PHE A 40 -9.848 -4.799 -2.509 1.00 0.28 C ATOM 483 O PHE A 40 -10.691 -4.002 -2.920 1.00 0.52 O ATOM 484 CB PHE A 40 -9.288 -6.485 -0.711 1.00 0.24 C ATOM 485 CG PHE A 40 -9.396 -5.687 0.562 1.00 0.22 C ATOM 486 CD1 PHE A 40 -10.625 -5.408 1.135 1.00 0.30 C ATOM 487 CD2 PHE A 40 -8.248 -5.229 1.189 1.00 0.20 C ATOM 488 CE1 PHE A 40 -10.701 -4.688 2.314 1.00 0.37 C ATOM 489 CE2 PHE A 40 -8.315 -4.513 2.362 1.00 0.26 C ATOM 490 CZ PHE A 40 -9.544 -4.239 2.926 1.00 0.33 C ATOM 0 H PHE A 40 -9.774 -7.993 -2.560 1.00 0.46 H new ATOM 0 HA PHE A 40 -11.256 -5.922 -1.379 1.00 0.32 H new ATOM 0 HB2 PHE A 40 -9.432 -7.539 -0.472 1.00 0.24 H new ATOM 0 HB3 PHE A 40 -8.275 -6.382 -1.099 1.00 0.24 H new ATOM 0 HD1 PHE A 40 -11.530 -5.755 0.659 1.00 0.30 H new ATOM 0 HD2 PHE A 40 -7.284 -5.438 0.749 1.00 0.20 H new ATOM 0 HE1 PHE A 40 -11.663 -4.476 2.757 1.00 0.37 H new ATOM 0 HE2 PHE A 40 -7.410 -4.167 2.839 1.00 0.26 H new ATOM 0 HZ PHE A 40 -9.603 -3.674 3.845 1.00 0.33 H new ATOM 500 N MET A 41 -8.551 -4.585 -2.650 1.00 0.22 N ATOM 501 CA MET A 41 -8.054 -3.387 -3.308 1.00 0.18 C ATOM 502 C MET A 41 -7.413 -3.756 -4.643 1.00 0.20 C ATOM 503 O MET A 41 -6.671 -4.736 -4.725 1.00 0.24 O ATOM 504 CB MET A 41 -7.040 -2.693 -2.408 1.00 0.17 C ATOM 505 CG MET A 41 -6.811 -1.228 -2.733 1.00 0.21 C ATOM 506 SD MET A 41 -8.342 -0.272 -2.715 1.00 0.28 S ATOM 507 CE MET A 41 -8.360 0.319 -1.028 1.00 0.25 C ATOM 0 H MET A 41 -7.825 -5.221 -2.320 1.00 0.22 H new ATOM 0 HA MET A 41 -8.884 -2.706 -3.496 1.00 0.18 H new ATOM 0 HB2 MET A 41 -7.375 -2.775 -1.374 1.00 0.17 H new ATOM 0 HB3 MET A 41 -6.089 -3.221 -2.478 1.00 0.17 H new ATOM 0 HG2 MET A 41 -6.112 -0.804 -2.012 1.00 0.21 H new ATOM 0 HG3 MET A 41 -6.345 -1.145 -3.715 1.00 0.21 H new ATOM 0 HE1 MET A 41 -8.902 1.263 -0.979 1.00 0.25 H new ATOM 0 HE2 MET A 41 -8.852 -0.415 -0.390 1.00 0.25 H new ATOM 0 HE3 MET A 41 -7.337 0.470 -0.684 1.00 0.25 H new ATOM 517 N PRO A 42 -7.701 -2.998 -5.718 1.00 0.20 N ATOM 518 CA PRO A 42 -7.145 -3.269 -7.048 1.00 0.24 C ATOM 519 C PRO A 42 -5.639 -3.069 -7.074 1.00 0.21 C ATOM 520 O PRO A 42 -5.106 -2.219 -6.356 1.00 0.20 O ATOM 521 CB PRO A 42 -7.833 -2.249 -7.968 1.00 0.29 C ATOM 522 CG PRO A 42 -8.986 -1.728 -7.183 1.00 0.27 C ATOM 523 CD PRO A 42 -8.592 -1.833 -5.740 1.00 0.23 C ATOM 0 HA PRO A 42 -7.318 -4.301 -7.354 1.00 0.24 H new ATOM 0 HB2 PRO A 42 -7.150 -1.446 -8.245 1.00 0.29 H new ATOM 0 HB3 PRO A 42 -8.167 -2.717 -8.894 1.00 0.29 H new ATOM 0 HG2 PRO A 42 -9.205 -0.695 -7.452 1.00 0.27 H new ATOM 0 HG3 PRO A 42 -9.887 -2.308 -7.384 1.00 0.27 H new ATOM 0 HD2 PRO A 42 -8.085 -0.932 -5.395 1.00 0.23 H new ATOM 0 HD3 PRO A 42 -9.459 -1.977 -5.096 1.00 0.23 H new ATOM 531 N ASP A 43 -4.969 -3.857 -7.906 1.00 0.23 N ATOM 532 CA ASP A 43 -3.516 -3.803 -8.048 1.00 0.23 C ATOM 533 C ASP A 43 -3.036 -2.381 -8.339 1.00 0.22 C ATOM 534 O ASP A 43 -1.999 -1.946 -7.834 1.00 0.23 O ATOM 535 CB ASP A 43 -3.071 -4.740 -9.175 1.00 0.29 C ATOM 536 CG ASP A 43 -1.572 -4.935 -9.210 1.00 0.78 C ATOM 537 OD1 ASP A 43 -1.014 -5.503 -8.240 1.00 1.51 O ATOM 538 OD2 ASP A 43 -0.947 -4.508 -10.197 1.00 1.08 O ATOM 0 H ASP A 43 -5.417 -4.553 -8.503 1.00 0.23 H new ATOM 0 HA ASP A 43 -3.072 -4.123 -7.105 1.00 0.23 H new ATOM 0 HB2 ASP A 43 -3.557 -5.708 -9.051 1.00 0.29 H new ATOM 0 HB3 ASP A 43 -3.404 -4.336 -10.131 1.00 0.29 H new ATOM 543 N SER A 44 -3.811 -1.666 -9.149 1.00 0.23 N ATOM 544 CA SER A 44 -3.499 -0.296 -9.521 1.00 0.25 C ATOM 545 C SER A 44 -3.425 0.606 -8.298 1.00 0.23 C ATOM 546 O SER A 44 -2.414 1.269 -8.068 1.00 0.26 O ATOM 547 CB SER A 44 -4.559 0.220 -10.496 1.00 0.32 C ATOM 548 OG SER A 44 -5.639 -0.695 -10.602 1.00 0.57 O ATOM 0 H SER A 44 -4.672 -2.023 -9.564 1.00 0.23 H new ATOM 0 HA SER A 44 -2.521 -0.282 -10.002 1.00 0.25 H new ATOM 0 HB2 SER A 44 -4.929 1.188 -10.158 1.00 0.32 H new ATOM 0 HB3 SER A 44 -4.111 0.375 -11.478 1.00 0.32 H new ATOM 0 HG SER A 44 -6.305 -0.344 -11.229 1.00 0.57 H new ATOM 554 N ILE A 45 -4.492 0.622 -7.507 1.00 0.21 N ATOM 555 CA ILE A 45 -4.529 1.451 -6.305 1.00 0.21 C ATOM 556 C ILE A 45 -3.466 1.016 -5.303 1.00 0.17 C ATOM 557 O ILE A 45 -2.839 1.857 -4.663 1.00 0.18 O ATOM 558 CB ILE A 45 -5.916 1.408 -5.615 1.00 0.24 C ATOM 559 CG1 ILE A 45 -7.039 1.716 -6.616 1.00 0.30 C ATOM 560 CG2 ILE A 45 -5.965 2.382 -4.437 1.00 0.25 C ATOM 561 CD1 ILE A 45 -7.175 3.188 -6.963 1.00 0.34 C ATOM 0 H ILE A 45 -5.337 0.076 -7.673 1.00 0.21 H new ATOM 0 HA ILE A 45 -4.329 2.472 -6.629 1.00 0.21 H new ATOM 0 HB ILE A 45 -6.070 0.398 -5.234 1.00 0.24 H new ATOM 0 HG12 ILE A 45 -6.859 1.153 -7.532 1.00 0.30 H new ATOM 0 HG13 ILE A 45 -7.984 1.362 -6.205 1.00 0.30 H new ATOM 0 HG21 ILE A 45 -6.947 2.336 -3.967 1.00 0.25 H new ATOM 0 HG22 ILE A 45 -5.201 2.110 -3.708 1.00 0.25 H new ATOM 0 HG23 ILE A 45 -5.781 3.395 -4.795 1.00 0.25 H new ATOM 0 HD11 ILE A 45 -7.990 3.320 -7.675 1.00 0.34 H new ATOM 0 HD12 ILE A 45 -7.388 3.757 -6.058 1.00 0.34 H new ATOM 0 HD13 ILE A 45 -6.245 3.545 -7.406 1.00 0.34 H new ATOM 573 N LEU A 46 -3.255 -0.296 -5.187 1.00 0.16 N ATOM 574 CA LEU A 46 -2.261 -0.842 -4.264 1.00 0.16 C ATOM 575 C LEU A 46 -0.886 -0.264 -4.546 1.00 0.16 C ATOM 576 O LEU A 46 -0.100 -0.038 -3.633 1.00 0.19 O ATOM 577 CB LEU A 46 -2.193 -2.371 -4.367 1.00 0.18 C ATOM 578 CG LEU A 46 -3.421 -3.135 -3.858 1.00 0.18 C ATOM 579 CD1 LEU A 46 -3.314 -4.597 -4.247 1.00 0.26 C ATOM 580 CD2 LEU A 46 -3.574 -3.002 -2.346 1.00 0.19 C ATOM 0 H LEU A 46 -3.761 -1.001 -5.723 1.00 0.16 H new ATOM 0 HA LEU A 46 -2.569 -0.565 -3.256 1.00 0.16 H new ATOM 0 HB2 LEU A 46 -2.031 -2.638 -5.411 1.00 0.18 H new ATOM 0 HB3 LEU A 46 -1.320 -2.714 -3.811 1.00 0.18 H new ATOM 0 HG LEU A 46 -4.307 -2.700 -4.321 1.00 0.18 H new ATOM 0 HD11 LEU A 46 -4.189 -5.135 -3.883 1.00 0.26 H new ATOM 0 HD12 LEU A 46 -3.261 -4.682 -5.332 1.00 0.26 H new ATOM 0 HD13 LEU A 46 -2.414 -5.026 -3.806 1.00 0.26 H new ATOM 0 HD21 LEU A 46 -4.454 -3.556 -2.019 1.00 0.19 H new ATOM 0 HD22 LEU A 46 -2.689 -3.405 -1.854 1.00 0.19 H new ATOM 0 HD23 LEU A 46 -3.689 -1.950 -2.083 1.00 0.19 H new ATOM 592 N LYS A 47 -0.600 -0.040 -5.813 1.00 0.17 N ATOM 593 CA LYS A 47 0.685 0.490 -6.216 1.00 0.19 C ATOM 594 C LYS A 47 0.830 1.988 -5.925 1.00 0.18 C ATOM 595 O LYS A 47 1.871 2.417 -5.419 1.00 0.20 O ATOM 596 CB LYS A 47 0.904 0.208 -7.693 1.00 0.24 C ATOM 597 CG LYS A 47 1.297 -1.231 -7.963 1.00 0.31 C ATOM 598 CD LYS A 47 1.524 -1.493 -9.433 1.00 0.44 C ATOM 599 CE LYS A 47 2.068 -2.891 -9.651 1.00 0.88 C ATOM 600 NZ LYS A 47 1.444 -3.541 -10.827 1.00 0.97 N ATOM 0 H LYS A 47 -1.244 -0.218 -6.584 1.00 0.17 H new ATOM 0 HA LYS A 47 1.450 -0.011 -5.623 1.00 0.19 H new ATOM 0 HB2 LYS A 47 -0.009 0.440 -8.242 1.00 0.24 H new ATOM 0 HB3 LYS A 47 1.682 0.870 -8.073 1.00 0.24 H new ATOM 0 HG2 LYS A 47 2.205 -1.468 -7.409 1.00 0.31 H new ATOM 0 HG3 LYS A 47 0.515 -1.895 -7.594 1.00 0.31 H new ATOM 0 HD2 LYS A 47 0.587 -1.373 -9.978 1.00 0.44 H new ATOM 0 HD3 LYS A 47 2.223 -0.759 -9.835 1.00 0.44 H new ATOM 0 HE2 LYS A 47 3.148 -2.844 -9.791 1.00 0.88 H new ATOM 0 HE3 LYS A 47 1.887 -3.495 -8.762 1.00 0.88 H new ATOM 0 HZ1 LYS A 47 1.789 -4.519 -10.907 1.00 0.97 H new ATOM 0 HZ2 LYS A 47 0.410 -3.546 -10.713 1.00 0.97 H new ATOM 0 HZ3 LYS A 47 1.694 -3.014 -11.688 1.00 0.97 H new ATOM 614 N LYS A 48 -0.195 2.789 -6.225 1.00 0.17 N ATOM 615 CA LYS A 48 -0.101 4.227 -5.957 1.00 0.18 C ATOM 616 C LYS A 48 -0.142 4.482 -4.457 1.00 0.18 C ATOM 617 O LYS A 48 0.604 5.309 -3.930 1.00 0.20 O ATOM 618 CB LYS A 48 -1.214 5.040 -6.638 1.00 0.20 C ATOM 619 CG LYS A 48 -2.303 4.210 -7.284 1.00 0.31 C ATOM 620 CD LYS A 48 -3.444 5.083 -7.777 1.00 0.32 C ATOM 621 CE LYS A 48 -3.632 4.968 -9.282 1.00 0.45 C ATOM 622 NZ LYS A 48 -4.360 6.145 -9.838 1.00 0.77 N ATOM 0 H LYS A 48 -1.074 2.480 -6.641 1.00 0.17 H new ATOM 0 HA LYS A 48 0.849 4.559 -6.376 1.00 0.18 H new ATOM 0 HB2 LYS A 48 -1.669 5.698 -5.897 1.00 0.20 H new ATOM 0 HB3 LYS A 48 -0.765 5.679 -7.398 1.00 0.20 H new ATOM 0 HG2 LYS A 48 -1.887 3.647 -8.119 1.00 0.31 H new ATOM 0 HG3 LYS A 48 -2.683 3.483 -6.566 1.00 0.31 H new ATOM 0 HD2 LYS A 48 -4.366 4.795 -7.272 1.00 0.32 H new ATOM 0 HD3 LYS A 48 -3.247 6.122 -7.513 1.00 0.32 H new ATOM 0 HE2 LYS A 48 -2.659 4.881 -9.765 1.00 0.45 H new ATOM 0 HE3 LYS A 48 -4.184 4.057 -9.511 1.00 0.45 H new ATOM 0 HZ1 LYS A 48 -5.194 5.819 -10.367 1.00 0.77 H new ATOM 0 HZ2 LYS A 48 -4.663 6.765 -9.060 1.00 0.77 H new ATOM 0 HZ3 LYS A 48 -3.731 6.673 -10.476 1.00 0.77 H new ATOM 636 N MET A 49 -1.004 3.747 -3.775 1.00 0.17 N ATOM 637 CA MET A 49 -1.151 3.864 -2.334 1.00 0.17 C ATOM 638 C MET A 49 0.123 3.405 -1.623 1.00 0.17 C ATOM 639 O MET A 49 0.455 3.903 -0.548 1.00 0.19 O ATOM 640 CB MET A 49 -2.383 3.093 -1.866 1.00 0.17 C ATOM 641 CG MET A 49 -2.068 1.830 -1.113 1.00 0.19 C ATOM 642 SD MET A 49 -3.206 0.491 -1.514 1.00 1.07 S ATOM 643 CE MET A 49 -4.607 0.903 -0.490 1.00 0.22 C ATOM 0 H MET A 49 -1.619 3.055 -4.202 1.00 0.17 H new ATOM 0 HA MET A 49 -1.302 4.912 -2.073 1.00 0.17 H new ATOM 0 HB2 MET A 49 -2.984 3.742 -1.230 1.00 0.17 H new ATOM 0 HB3 MET A 49 -2.993 2.843 -2.734 1.00 0.17 H new ATOM 0 HG2 MET A 49 -1.049 1.518 -1.342 1.00 0.19 H new ATOM 0 HG3 MET A 49 -2.108 2.029 -0.042 1.00 0.19 H new ATOM 0 HE1 MET A 49 -5.077 -0.013 -0.130 1.00 0.22 H new ATOM 0 HE2 MET A 49 -4.274 1.498 0.360 1.00 0.22 H new ATOM 0 HE3 MET A 49 -5.328 1.476 -1.073 1.00 0.22 H new ATOM 653 N ALA A 50 0.845 2.473 -2.241 1.00 0.16 N ATOM 654 CA ALA A 50 2.092 1.969 -1.683 1.00 0.17 C ATOM 655 C ALA A 50 3.218 2.986 -1.858 1.00 0.18 C ATOM 656 O ALA A 50 4.160 3.033 -1.063 1.00 0.22 O ATOM 657 CB ALA A 50 2.476 0.652 -2.348 1.00 0.19 C ATOM 0 H ALA A 50 0.584 2.052 -3.132 1.00 0.16 H new ATOM 0 HA ALA A 50 1.940 1.800 -0.617 1.00 0.17 H new ATOM 0 HB1 ALA A 50 3.410 0.287 -1.921 1.00 0.19 H new ATOM 0 HB2 ALA A 50 1.689 -0.083 -2.180 1.00 0.19 H new ATOM 0 HB3 ALA A 50 2.604 0.809 -3.419 1.00 0.19 H new ATOM 663 N ALA A 51 3.127 3.790 -2.914 1.00 0.18 N ATOM 664 CA ALA A 51 4.154 4.785 -3.197 1.00 0.22 C ATOM 665 C ALA A 51 3.900 6.092 -2.454 1.00 0.24 C ATOM 666 O ALA A 51 4.818 6.676 -1.877 1.00 0.30 O ATOM 667 CB ALA A 51 4.233 5.038 -4.700 1.00 0.25 C ATOM 0 H ALA A 51 2.357 3.772 -3.583 1.00 0.18 H new ATOM 0 HA ALA A 51 5.106 4.389 -2.844 1.00 0.22 H new ATOM 0 HB1 ALA A 51 5.003 5.783 -4.904 1.00 0.25 H new ATOM 0 HB2 ALA A 51 4.482 4.109 -5.213 1.00 0.25 H new ATOM 0 HB3 ALA A 51 3.271 5.403 -5.059 1.00 0.25 H new ATOM 673 N ILE A 52 2.656 6.555 -2.471 1.00 0.24 N ATOM 674 CA ILE A 52 2.304 7.802 -1.806 1.00 0.28 C ATOM 675 C ILE A 52 2.107 7.589 -0.307 1.00 0.26 C ATOM 676 O ILE A 52 2.470 8.444 0.503 1.00 0.31 O ATOM 677 CB ILE A 52 1.017 8.404 -2.428 1.00 0.31 C ATOM 678 CG1 ILE A 52 1.340 9.091 -3.760 1.00 0.36 C ATOM 679 CG2 ILE A 52 0.348 9.395 -1.483 1.00 0.35 C ATOM 680 CD1 ILE A 52 0.937 8.292 -4.980 1.00 0.37 C ATOM 0 H ILE A 52 1.878 6.088 -2.936 1.00 0.24 H new ATOM 0 HA ILE A 52 3.128 8.501 -1.949 1.00 0.28 H new ATOM 0 HB ILE A 52 0.322 7.583 -2.604 1.00 0.31 H new ATOM 0 HG12 ILE A 52 0.837 10.058 -3.789 1.00 0.36 H new ATOM 0 HG13 ILE A 52 2.411 9.287 -3.805 1.00 0.36 H new ATOM 0 HG21 ILE A 52 -0.550 9.796 -1.953 1.00 0.35 H new ATOM 0 HG22 ILE A 52 0.078 8.889 -0.556 1.00 0.35 H new ATOM 0 HG23 ILE A 52 1.037 10.210 -1.263 1.00 0.35 H new ATOM 0 HD11 ILE A 52 1.199 8.846 -5.881 1.00 0.37 H new ATOM 0 HD12 ILE A 52 1.460 7.335 -4.977 1.00 0.37 H new ATOM 0 HD13 ILE A 52 -0.139 8.118 -4.962 1.00 0.37 H new ATOM 692 N LEU A 53 1.547 6.437 0.050 1.00 0.21 N ATOM 693 CA LEU A 53 1.288 6.085 1.442 1.00 0.21 C ATOM 694 C LEU A 53 0.435 7.166 2.107 1.00 0.23 C ATOM 695 O LEU A 53 0.904 7.911 2.974 1.00 0.27 O ATOM 696 CB LEU A 53 2.602 5.867 2.197 1.00 0.24 C ATOM 697 CG LEU A 53 3.112 4.426 2.164 1.00 0.26 C ATOM 698 CD1 LEU A 53 4.472 4.313 2.832 1.00 0.41 C ATOM 699 CD2 LEU A 53 2.108 3.490 2.826 1.00 0.35 C ATOM 0 H LEU A 53 1.260 5.721 -0.618 1.00 0.21 H new ATOM 0 HA LEU A 53 0.732 5.148 1.472 1.00 0.21 H new ATOM 0 HB2 LEU A 53 3.364 6.520 1.773 1.00 0.24 H new ATOM 0 HB3 LEU A 53 2.466 6.169 3.236 1.00 0.24 H new ATOM 0 HG LEU A 53 3.225 4.130 1.121 1.00 0.26 H new ATOM 0 HD11 LEU A 53 4.811 3.278 2.794 1.00 0.41 H new ATOM 0 HD12 LEU A 53 5.188 4.948 2.310 1.00 0.41 H new ATOM 0 HD13 LEU A 53 4.394 4.632 3.871 1.00 0.41 H new ATOM 0 HD21 LEU A 53 2.487 2.468 2.794 1.00 0.35 H new ATOM 0 HD22 LEU A 53 1.960 3.790 3.864 1.00 0.35 H new ATOM 0 HD23 LEU A 53 1.158 3.541 2.295 1.00 0.35 H new ATOM 711 N PRO A 54 -0.836 7.267 1.685 1.00 0.24 N ATOM 712 CA PRO A 54 -1.778 8.258 2.200 1.00 0.30 C ATOM 713 C PRO A 54 -2.397 7.865 3.535 1.00 0.40 C ATOM 714 O PRO A 54 -3.166 6.909 3.616 1.00 0.48 O ATOM 715 CB PRO A 54 -2.863 8.325 1.113 1.00 0.36 C ATOM 716 CG PRO A 54 -2.428 7.395 0.025 1.00 0.25 C ATOM 717 CD PRO A 54 -1.466 6.435 0.657 1.00 0.23 C ATOM 0 HA PRO A 54 -1.281 9.208 2.395 1.00 0.30 H new ATOM 0 HB2 PRO A 54 -3.833 8.028 1.513 1.00 0.36 H new ATOM 0 HB3 PRO A 54 -2.972 9.341 0.735 1.00 0.36 H new ATOM 0 HG2 PRO A 54 -3.282 6.867 -0.401 1.00 0.25 H new ATOM 0 HG3 PRO A 54 -1.953 7.943 -0.789 1.00 0.25 H new ATOM 0 HD2 PRO A 54 -1.974 5.571 1.086 1.00 0.23 H new ATOM 0 HD3 PRO A 54 -0.740 6.053 -0.061 1.00 0.23 H new ATOM 725 N MET A 55 -2.064 8.616 4.576 1.00 0.49 N ATOM 726 CA MET A 55 -2.595 8.349 5.908 1.00 0.64 C ATOM 727 C MET A 55 -3.867 9.162 6.167 1.00 0.72 C ATOM 728 O MET A 55 -4.683 8.795 7.013 1.00 1.02 O ATOM 729 CB MET A 55 -1.552 8.670 6.977 1.00 0.80 C ATOM 730 CG MET A 55 -0.549 7.552 7.188 1.00 1.07 C ATOM 731 SD MET A 55 0.678 7.947 8.449 1.00 1.66 S ATOM 732 CE MET A 55 -0.365 8.557 9.772 1.00 1.52 C ATOM 0 H MET A 55 -1.430 9.414 4.525 1.00 0.49 H new ATOM 0 HA MET A 55 -2.843 7.289 5.959 1.00 0.64 H new ATOM 0 HB2 MET A 55 -1.020 9.578 6.695 1.00 0.80 H new ATOM 0 HB3 MET A 55 -2.059 8.877 7.919 1.00 0.80 H new ATOM 0 HG2 MET A 55 -1.079 6.643 7.474 1.00 1.07 H new ATOM 0 HG3 MET A 55 -0.042 7.342 6.246 1.00 1.07 H new ATOM 0 HE1 MET A 55 0.177 8.505 10.716 1.00 1.52 H new ATOM 0 HE2 MET A 55 -0.643 9.591 9.569 1.00 1.52 H new ATOM 0 HE3 MET A 55 -1.265 7.946 9.837 1.00 1.52 H new ATOM 742 N ASN A 56 -4.018 10.268 5.439 1.00 0.66 N ATOM 743 CA ASN A 56 -5.178 11.149 5.585 1.00 0.84 C ATOM 744 C ASN A 56 -5.959 11.239 4.281 1.00 0.69 C ATOM 745 O ASN A 56 -5.452 10.862 3.222 1.00 0.59 O ATOM 746 CB ASN A 56 -4.733 12.546 6.011 1.00 1.13 C ATOM 747 CG ASN A 56 -5.656 13.151 7.054 1.00 1.94 C ATOM 748 OD1 ASN A 56 -6.621 12.517 7.474 1.00 2.68 O ATOM 749 ND2 ASN A 56 -5.373 14.375 7.477 1.00 2.34 N ATOM 0 H ASN A 56 -3.346 10.577 4.737 1.00 0.66 H new ATOM 0 HA ASN A 56 -5.826 10.727 6.353 1.00 0.84 H new ATOM 0 HB2 ASN A 56 -3.720 12.496 6.410 1.00 1.13 H new ATOM 0 HB3 ASN A 56 -4.700 13.197 5.137 1.00 1.13 H new ATOM 0 HD21 ASN A 56 -5.966 14.823 8.176 1.00 2.34 H new ATOM 0 HD22 ASN A 56 -4.562 14.869 7.104 1.00 2.34 H new ATOM 756 N ASP A 57 -7.191 11.731 4.361 1.00 0.76 N ATOM 757 CA ASP A 57 -8.050 11.861 3.182 1.00 0.76 C ATOM 758 C ASP A 57 -7.448 12.811 2.147 1.00 0.73 C ATOM 759 O ASP A 57 -7.621 12.616 0.944 1.00 1.11 O ATOM 760 CB ASP A 57 -9.442 12.351 3.583 1.00 0.96 C ATOM 761 CG ASP A 57 -10.429 12.294 2.430 1.00 1.69 C ATOM 762 OD1 ASP A 57 -10.950 11.196 2.136 1.00 1.77 O ATOM 763 OD2 ASP A 57 -10.685 13.345 1.805 1.00 2.68 O ATOM 0 H ASP A 57 -7.621 12.048 5.230 1.00 0.76 H new ATOM 0 HA ASP A 57 -8.131 10.872 2.730 1.00 0.76 H new ATOM 0 HB2 ASP A 57 -9.815 11.743 4.407 1.00 0.96 H new ATOM 0 HB3 ASP A 57 -9.373 13.376 3.948 1.00 0.96 H new ATOM 768 N SER A 58 -6.739 13.828 2.619 1.00 0.67 N ATOM 769 CA SER A 58 -6.111 14.801 1.738 1.00 0.72 C ATOM 770 C SER A 58 -5.065 14.126 0.855 1.00 0.66 C ATOM 771 O SER A 58 -4.928 14.441 -0.326 1.00 0.77 O ATOM 772 CB SER A 58 -5.468 15.897 2.576 1.00 0.87 C ATOM 773 OG SER A 58 -5.790 15.723 3.945 1.00 1.02 O ATOM 0 H SER A 58 -6.585 14.000 3.612 1.00 0.67 H new ATOM 0 HA SER A 58 -6.870 15.240 1.090 1.00 0.72 H new ATOM 0 HB2 SER A 58 -4.386 15.877 2.445 1.00 0.87 H new ATOM 0 HB3 SER A 58 -5.812 16.874 2.236 1.00 0.87 H new ATOM 0 HG SER A 58 -5.369 16.433 4.473 1.00 1.02 H new ATOM 779 N ALA A 59 -4.350 13.176 1.445 1.00 0.58 N ATOM 780 CA ALA A 59 -3.325 12.423 0.736 1.00 0.59 C ATOM 781 C ALA A 59 -3.975 11.478 -0.270 1.00 0.51 C ATOM 782 O ALA A 59 -3.381 11.120 -1.286 1.00 0.59 O ATOM 783 CB ALA A 59 -2.453 11.650 1.712 1.00 0.62 C ATOM 0 H ALA A 59 -4.464 12.908 2.422 1.00 0.58 H new ATOM 0 HA ALA A 59 -2.687 13.124 0.197 1.00 0.59 H new ATOM 0 HB1 ALA A 59 -1.694 11.095 1.161 1.00 0.62 H new ATOM 0 HB2 ALA A 59 -1.968 12.346 2.396 1.00 0.62 H new ATOM 0 HB3 ALA A 59 -3.071 10.954 2.280 1.00 0.62 H new ATOM 789 N PHE A 60 -5.208 11.082 0.024 1.00 0.40 N ATOM 790 CA PHE A 60 -5.960 10.189 -0.846 1.00 0.37 C ATOM 791 C PHE A 60 -6.305 10.881 -2.156 1.00 0.42 C ATOM 792 O PHE A 60 -6.521 10.227 -3.180 1.00 0.46 O ATOM 793 CB PHE A 60 -7.221 9.688 -0.134 1.00 0.33 C ATOM 794 CG PHE A 60 -6.975 8.425 0.628 1.00 0.26 C ATOM 795 CD1 PHE A 60 -5.978 7.560 0.223 1.00 0.23 C ATOM 796 CD2 PHE A 60 -7.724 8.103 1.746 1.00 0.37 C ATOM 797 CE1 PHE A 60 -5.726 6.398 0.913 1.00 0.22 C ATOM 798 CE2 PHE A 60 -7.475 6.938 2.445 1.00 0.37 C ATOM 799 CZ PHE A 60 -6.470 6.084 2.022 1.00 0.24 C ATOM 0 H PHE A 60 -5.710 11.368 0.865 1.00 0.40 H new ATOM 0 HA PHE A 60 -5.338 9.325 -1.080 1.00 0.37 H new ATOM 0 HB2 PHE A 60 -7.581 10.458 0.548 1.00 0.33 H new ATOM 0 HB3 PHE A 60 -8.008 9.520 -0.869 1.00 0.33 H new ATOM 0 HD1 PHE A 60 -5.387 7.800 -0.649 1.00 0.23 H new ATOM 0 HD2 PHE A 60 -8.509 8.768 2.075 1.00 0.37 H new ATOM 0 HE1 PHE A 60 -4.942 5.732 0.582 1.00 0.22 H new ATOM 0 HE2 PHE A 60 -8.062 6.694 3.318 1.00 0.37 H new ATOM 0 HZ PHE A 60 -6.272 5.172 2.565 1.00 0.24 H new ATOM 809 N ALA A 61 -6.342 12.207 -2.132 1.00 0.47 N ATOM 810 CA ALA A 61 -6.650 12.975 -3.329 1.00 0.56 C ATOM 811 C ALA A 61 -5.564 12.786 -4.397 1.00 0.58 C ATOM 812 O ALA A 61 -5.833 12.894 -5.595 1.00 0.64 O ATOM 813 CB ALA A 61 -6.813 14.447 -2.990 1.00 0.67 C ATOM 0 H ALA A 61 -6.163 12.770 -1.300 1.00 0.47 H new ATOM 0 HA ALA A 61 -7.592 12.606 -3.735 1.00 0.56 H new ATOM 0 HB1 ALA A 61 -7.043 15.006 -3.897 1.00 0.67 H new ATOM 0 HB2 ALA A 61 -7.626 14.568 -2.274 1.00 0.67 H new ATOM 0 HB3 ALA A 61 -5.887 14.825 -2.556 1.00 0.67 H new ATOM 819 N THR A 62 -4.341 12.485 -3.953 1.00 0.57 N ATOM 820 CA THR A 62 -3.226 12.269 -4.864 1.00 0.64 C ATOM 821 C THR A 62 -3.235 10.852 -5.450 1.00 0.53 C ATOM 822 O THR A 62 -2.435 10.529 -6.325 1.00 0.57 O ATOM 823 CB THR A 62 -1.875 12.546 -4.195 1.00 0.78 C ATOM 824 OG1 THR A 62 -2.032 12.692 -2.779 1.00 1.03 O ATOM 825 CG2 THR A 62 -1.242 13.802 -4.775 1.00 1.13 C ATOM 0 H THR A 62 -4.103 12.386 -2.966 1.00 0.57 H new ATOM 0 HA THR A 62 -3.357 12.982 -5.678 1.00 0.64 H new ATOM 0 HB THR A 62 -1.221 11.696 -4.390 1.00 0.78 H new ATOM 0 HG1 THR A 62 -2.242 11.821 -2.382 1.00 1.03 H new ATOM 0 HG21 THR A 62 -0.284 13.984 -4.289 1.00 1.13 H new ATOM 0 HG22 THR A 62 -1.087 13.670 -5.846 1.00 1.13 H new ATOM 0 HG23 THR A 62 -1.902 14.653 -4.606 1.00 1.13 H new ATOM 833 N LEU A 63 -4.171 10.021 -4.996 1.00 0.44 N ATOM 834 CA LEU A 63 -4.312 8.657 -5.509 1.00 0.40 C ATOM 835 C LEU A 63 -5.045 8.703 -6.848 1.00 0.48 C ATOM 836 O LEU A 63 -5.125 7.712 -7.578 1.00 0.68 O ATOM 837 CB LEU A 63 -5.120 7.791 -4.533 1.00 0.34 C ATOM 838 CG LEU A 63 -4.364 7.187 -3.342 1.00 0.27 C ATOM 839 CD1 LEU A 63 -4.974 5.850 -2.970 1.00 0.28 C ATOM 840 CD2 LEU A 63 -2.880 7.036 -3.632 1.00 0.27 C ATOM 0 H LEU A 63 -4.846 10.268 -4.272 1.00 0.44 H new ATOM 0 HA LEU A 63 -3.319 8.223 -5.629 1.00 0.40 H new ATOM 0 HB2 LEU A 63 -5.938 8.396 -4.142 1.00 0.34 H new ATOM 0 HB3 LEU A 63 -5.569 6.974 -5.098 1.00 0.34 H new ATOM 0 HG LEU A 63 -4.459 7.873 -2.500 1.00 0.27 H new ATOM 0 HD11 LEU A 63 -4.433 5.426 -2.124 1.00 0.28 H new ATOM 0 HD12 LEU A 63 -6.020 5.990 -2.698 1.00 0.28 H new ATOM 0 HD13 LEU A 63 -4.908 5.171 -3.820 1.00 0.28 H new ATOM 0 HD21 LEU A 63 -2.382 6.605 -2.764 1.00 0.27 H new ATOM 0 HD22 LEU A 63 -2.742 6.381 -4.492 1.00 0.27 H new ATOM 0 HD23 LEU A 63 -2.450 8.014 -3.849 1.00 0.27 H new ATOM 852 N GLY A 64 -5.602 9.867 -7.142 1.00 0.63 N ATOM 853 CA GLY A 64 -6.357 10.068 -8.356 1.00 0.76 C ATOM 854 C GLY A 64 -7.785 10.432 -8.031 1.00 0.91 C ATOM 855 O GLY A 64 -8.086 11.579 -7.687 1.00 1.61 O ATOM 0 H GLY A 64 -5.541 10.692 -6.545 1.00 0.63 H new ATOM 0 HA2 GLY A 64 -5.899 10.859 -8.950 1.00 0.76 H new ATOM 0 HA3 GLY A 64 -6.334 9.161 -8.961 1.00 0.76 H new ATOM 859 N THR A 65 -8.661 9.448 -8.103 1.00 1.22 N ATOM 860 CA THR A 65 -10.065 9.640 -7.787 1.00 1.52 C ATOM 861 C THR A 65 -10.680 8.328 -7.327 1.00 1.28 C ATOM 862 O THR A 65 -11.404 7.673 -8.078 1.00 1.56 O ATOM 863 CB THR A 65 -10.858 10.179 -8.991 1.00 2.09 C ATOM 864 OG1 THR A 65 -10.025 10.221 -10.160 1.00 2.14 O ATOM 865 CG2 THR A 65 -11.411 11.567 -8.704 1.00 2.55 C ATOM 0 H THR A 65 -8.422 8.496 -8.381 1.00 1.22 H new ATOM 0 HA THR A 65 -10.119 10.379 -6.988 1.00 1.52 H new ATOM 0 HB THR A 65 -11.694 9.503 -9.170 1.00 2.09 H new ATOM 0 HG1 THR A 65 -10.542 10.564 -10.918 1.00 2.14 H new ATOM 0 HG21 THR A 65 -11.967 11.924 -9.571 1.00 2.55 H new ATOM 0 HG22 THR A 65 -12.075 11.523 -7.841 1.00 2.55 H new ATOM 0 HG23 THR A 65 -10.588 12.250 -8.494 1.00 2.55 H new ATOM 873 N VAL A 66 -10.382 7.928 -6.095 1.00 0.89 N ATOM 874 CA VAL A 66 -10.919 6.682 -5.570 1.00 0.69 C ATOM 875 C VAL A 66 -12.416 6.810 -5.333 1.00 0.68 C ATOM 876 O VAL A 66 -12.894 7.833 -4.836 1.00 0.72 O ATOM 877 CB VAL A 66 -10.237 6.242 -4.251 1.00 0.50 C ATOM 878 CG1 VAL A 66 -8.820 5.771 -4.511 1.00 0.58 C ATOM 879 CG2 VAL A 66 -10.253 7.358 -3.210 1.00 0.58 C ATOM 0 H VAL A 66 -9.780 8.441 -5.451 1.00 0.89 H new ATOM 0 HA VAL A 66 -10.716 5.919 -6.321 1.00 0.69 H new ATOM 0 HB VAL A 66 -10.810 5.408 -3.847 1.00 0.50 H new ATOM 0 HG11 VAL A 66 -8.360 5.467 -3.571 1.00 0.58 H new ATOM 0 HG12 VAL A 66 -8.838 4.924 -5.197 1.00 0.58 H new ATOM 0 HG13 VAL A 66 -8.242 6.583 -4.952 1.00 0.58 H new ATOM 0 HG21 VAL A 66 -9.766 7.012 -2.298 1.00 0.58 H new ATOM 0 HG22 VAL A 66 -9.721 8.226 -3.599 1.00 0.58 H new ATOM 0 HG23 VAL A 66 -11.284 7.634 -2.988 1.00 0.58 H new ATOM 889 N GLU A 67 -13.155 5.773 -5.690 1.00 0.72 N ATOM 890 CA GLU A 67 -14.592 5.773 -5.511 1.00 0.79 C ATOM 891 C GLU A 67 -14.934 5.686 -4.033 1.00 0.63 C ATOM 892 O GLU A 67 -14.113 5.256 -3.220 1.00 0.49 O ATOM 893 CB GLU A 67 -15.207 4.594 -6.260 1.00 0.94 C ATOM 894 CG GLU A 67 -15.599 4.918 -7.686 1.00 1.19 C ATOM 895 CD GLU A 67 -14.864 4.053 -8.682 1.00 1.70 C ATOM 896 OE1 GLU A 67 -13.690 4.348 -8.981 1.00 2.42 O ATOM 897 OE2 GLU A 67 -15.459 3.067 -9.161 1.00 2.16 O ATOM 0 H GLU A 67 -12.780 4.920 -6.106 1.00 0.72 H new ATOM 0 HA GLU A 67 -14.999 6.701 -5.912 1.00 0.79 H new ATOM 0 HB2 GLU A 67 -14.496 3.768 -6.267 1.00 0.94 H new ATOM 0 HB3 GLU A 67 -16.089 4.251 -5.719 1.00 0.94 H new ATOM 0 HG2 GLU A 67 -16.673 4.779 -7.808 1.00 1.19 H new ATOM 0 HG3 GLU A 67 -15.388 5.968 -7.891 1.00 1.19 H new ATOM 904 N ASP A 68 -16.147 6.083 -3.696 1.00 0.71 N ATOM 905 CA ASP A 68 -16.607 6.050 -2.318 1.00 0.67 C ATOM 906 C ASP A 68 -16.576 4.624 -1.775 1.00 0.54 C ATOM 907 O ASP A 68 -16.319 4.403 -0.590 1.00 0.55 O ATOM 908 CB ASP A 68 -18.008 6.639 -2.192 1.00 0.85 C ATOM 909 CG ASP A 68 -18.212 7.307 -0.850 1.00 1.26 C ATOM 910 OD1 ASP A 68 -17.367 8.141 -0.456 1.00 1.72 O ATOM 911 OD2 ASP A 68 -19.226 7.013 -0.186 1.00 1.61 O ATOM 0 H ASP A 68 -16.836 6.434 -4.361 1.00 0.71 H new ATOM 0 HA ASP A 68 -15.929 6.662 -1.724 1.00 0.67 H new ATOM 0 HB2 ASP A 68 -18.171 7.364 -2.989 1.00 0.85 H new ATOM 0 HB3 ASP A 68 -18.748 5.850 -2.323 1.00 0.85 H new ATOM 916 N LYS A 69 -16.816 3.650 -2.656 1.00 0.55 N ATOM 917 CA LYS A 69 -16.785 2.246 -2.265 1.00 0.58 C ATOM 918 C LYS A 69 -15.355 1.837 -1.934 1.00 0.51 C ATOM 919 O LYS A 69 -15.127 0.979 -1.082 1.00 0.60 O ATOM 920 CB LYS A 69 -17.373 1.341 -3.352 1.00 0.71 C ATOM 921 CG LYS A 69 -16.804 1.566 -4.740 1.00 0.82 C ATOM 922 CD LYS A 69 -17.906 1.817 -5.745 1.00 1.15 C ATOM 923 CE LYS A 69 -17.583 1.172 -7.079 1.00 1.53 C ATOM 924 NZ LYS A 69 -17.765 2.106 -8.218 1.00 1.97 N ATOM 0 H LYS A 69 -17.033 3.810 -3.640 1.00 0.55 H new ATOM 0 HA LYS A 69 -17.407 2.125 -1.378 1.00 0.58 H new ATOM 0 HB2 LYS A 69 -17.206 0.301 -3.070 1.00 0.71 H new ATOM 0 HB3 LYS A 69 -18.452 1.492 -3.387 1.00 0.71 H new ATOM 0 HG2 LYS A 69 -16.122 2.416 -4.724 1.00 0.82 H new ATOM 0 HG3 LYS A 69 -16.222 0.696 -5.043 1.00 0.82 H new ATOM 0 HD2 LYS A 69 -18.847 1.421 -5.364 1.00 1.15 H new ATOM 0 HD3 LYS A 69 -18.043 2.890 -5.880 1.00 1.15 H new ATOM 0 HE2 LYS A 69 -16.553 0.815 -7.067 1.00 1.53 H new ATOM 0 HE3 LYS A 69 -18.221 0.300 -7.222 1.00 1.53 H new ATOM 0 HZ1 LYS A 69 -18.273 1.622 -8.986 1.00 1.97 H new ATOM 0 HZ2 LYS A 69 -18.315 2.932 -7.906 1.00 1.97 H new ATOM 0 HZ3 LYS A 69 -16.835 2.420 -8.562 1.00 1.97 H new ATOM 938 N TYR A 70 -14.391 2.496 -2.569 1.00 0.43 N ATOM 939 CA TYR A 70 -12.984 2.223 -2.298 1.00 0.39 C ATOM 940 C TYR A 70 -12.608 2.842 -0.961 1.00 0.33 C ATOM 941 O TYR A 70 -11.787 2.312 -0.229 1.00 0.34 O ATOM 942 CB TYR A 70 -12.059 2.794 -3.387 1.00 0.47 C ATOM 943 CG TYR A 70 -12.111 2.071 -4.712 1.00 0.60 C ATOM 944 CD1 TYR A 70 -13.320 1.858 -5.354 1.00 1.05 C ATOM 945 CD2 TYR A 70 -10.957 1.577 -5.301 1.00 1.18 C ATOM 946 CE1 TYR A 70 -13.378 1.185 -6.555 1.00 1.16 C ATOM 947 CE2 TYR A 70 -11.004 0.901 -6.501 1.00 1.29 C ATOM 948 CZ TYR A 70 -12.191 0.786 -7.169 1.00 0.94 C ATOM 949 OH TYR A 70 -12.280 0.022 -8.319 1.00 1.11 O ATOM 0 H TYR A 70 -14.556 3.218 -3.270 1.00 0.43 H new ATOM 0 HA TYR A 70 -12.854 1.141 -2.282 1.00 0.39 H new ATOM 0 HB2 TYR A 70 -12.318 3.840 -3.551 1.00 0.47 H new ATOM 0 HB3 TYR A 70 -11.033 2.773 -3.019 1.00 0.47 H new ATOM 0 HD1 TYR A 70 -14.232 2.225 -4.906 1.00 1.05 H new ATOM 0 HD2 TYR A 70 -10.006 1.724 -4.811 1.00 1.18 H new ATOM 0 HE1 TYR A 70 -14.331 0.969 -7.015 1.00 1.16 H new ATOM 0 HE2 TYR A 70 -10.106 0.464 -6.912 1.00 1.29 H new ATOM 0 HH TYR A 70 -11.379 -0.186 -8.644 1.00 1.11 H new ATOM 959 N ARG A 71 -13.236 3.972 -0.660 1.00 0.37 N ATOM 960 CA ARG A 71 -13.003 4.697 0.585 1.00 0.46 C ATOM 961 C ARG A 71 -13.437 3.865 1.790 1.00 0.52 C ATOM 962 O ARG A 71 -12.861 3.979 2.878 1.00 0.59 O ATOM 963 CB ARG A 71 -13.751 6.025 0.550 1.00 0.60 C ATOM 964 CG ARG A 71 -13.261 6.969 -0.536 1.00 0.81 C ATOM 965 CD ARG A 71 -13.203 8.394 -0.027 1.00 0.97 C ATOM 966 NE ARG A 71 -14.509 9.053 -0.095 1.00 1.39 N ATOM 967 CZ ARG A 71 -14.680 10.368 -0.013 1.00 1.96 C ATOM 968 NH1 ARG A 71 -13.638 11.172 0.183 1.00 2.55 N ATOM 969 NH2 ARG A 71 -15.904 10.884 -0.114 1.00 2.53 N ATOM 0 H ARG A 71 -13.922 4.413 -1.272 1.00 0.37 H new ATOM 0 HA ARG A 71 -11.935 4.892 0.684 1.00 0.46 H new ATOM 0 HB2 ARG A 71 -14.813 5.831 0.399 1.00 0.60 H new ATOM 0 HB3 ARG A 71 -13.651 6.515 1.519 1.00 0.60 H new ATOM 0 HG2 ARG A 71 -12.272 6.659 -0.874 1.00 0.81 H new ATOM 0 HG3 ARG A 71 -13.925 6.913 -1.399 1.00 0.81 H new ATOM 0 HD2 ARG A 71 -12.848 8.397 1.004 1.00 0.97 H new ATOM 0 HD3 ARG A 71 -12.480 8.960 -0.614 1.00 0.97 H new ATOM 0 HE ARG A 71 -15.336 8.468 -0.212 1.00 1.39 H new ATOM 0 HH11 ARG A 71 -12.701 10.780 0.271 1.00 2.55 H new ATOM 0 HH12 ARG A 71 -13.777 12.181 0.245 1.00 2.55 H new ATOM 0 HH21 ARG A 71 -16.706 10.270 -0.254 1.00 2.53 H new ATOM 0 HH22 ARG A 71 -16.039 11.893 -0.051 1.00 2.53 H new ATOM 983 N ARG A 72 -14.459 3.046 1.595 1.00 0.57 N ATOM 984 CA ARG A 72 -14.980 2.197 2.656 1.00 0.72 C ATOM 985 C ARG A 72 -13.944 1.187 3.124 1.00 0.68 C ATOM 986 O ARG A 72 -13.473 1.249 4.252 1.00 0.82 O ATOM 987 CB ARG A 72 -16.212 1.466 2.182 1.00 0.87 C ATOM 988 CG ARG A 72 -17.486 2.205 2.502 1.00 1.22 C ATOM 989 CD ARG A 72 -18.433 2.152 1.330 1.00 1.78 C ATOM 990 NE ARG A 72 -18.990 3.475 1.017 1.00 2.63 N ATOM 991 CZ ARG A 72 -20.121 3.960 1.535 1.00 3.47 C ATOM 992 NH1 ARG A 72 -20.808 3.258 2.430 1.00 3.77 N ATOM 993 NH2 ARG A 72 -20.554 5.162 1.168 1.00 4.38 N ATOM 0 H ARG A 72 -14.947 2.951 0.705 1.00 0.57 H new ATOM 0 HA ARG A 72 -15.235 2.843 3.496 1.00 0.72 H new ATOM 0 HB2 ARG A 72 -16.147 1.313 1.105 1.00 0.87 H new ATOM 0 HB3 ARG A 72 -16.244 0.479 2.643 1.00 0.87 H new ATOM 0 HG2 ARG A 72 -17.959 1.764 3.380 1.00 1.22 H new ATOM 0 HG3 ARG A 72 -17.260 3.242 2.748 1.00 1.22 H new ATOM 0 HD2 ARG A 72 -17.909 1.763 0.457 1.00 1.78 H new ATOM 0 HD3 ARG A 72 -19.245 1.459 1.550 1.00 1.78 H new ATOM 0 HE ARG A 72 -18.478 4.063 0.359 1.00 2.63 H new ATOM 0 HH11 ARG A 72 -20.472 2.341 2.726 1.00 3.77 H new ATOM 0 HH12 ARG A 72 -21.671 3.636 2.821 1.00 3.77 H new ATOM 0 HH21 ARG A 72 -20.023 5.711 0.492 1.00 4.38 H new ATOM 0 HH22 ARG A 72 -21.418 5.535 1.562 1.00 4.38 H new ATOM 1007 N ARG A 73 -13.575 0.261 2.251 1.00 0.63 N ATOM 1008 CA ARG A 73 -12.584 -0.753 2.598 1.00 0.70 C ATOM 1009 C ARG A 73 -11.198 -0.123 2.750 1.00 0.53 C ATOM 1010 O ARG A 73 -10.236 -0.785 3.143 1.00 0.59 O ATOM 1011 CB ARG A 73 -12.590 -1.886 1.562 1.00 0.88 C ATOM 1012 CG ARG A 73 -11.522 -1.784 0.491 1.00 0.59 C ATOM 1013 CD ARG A 73 -11.859 -0.708 -0.522 1.00 0.71 C ATOM 1014 NE ARG A 73 -13.058 -1.031 -1.296 1.00 1.08 N ATOM 1015 CZ ARG A 73 -13.064 -1.308 -2.597 1.00 0.92 C ATOM 1016 NH1 ARG A 73 -11.938 -1.337 -3.297 1.00 1.42 N ATOM 1017 NH2 ARG A 73 -14.219 -1.563 -3.198 1.00 1.44 N ATOM 0 H ARG A 73 -13.943 0.189 1.302 1.00 0.63 H new ATOM 0 HA ARG A 73 -12.848 -1.189 3.561 1.00 0.70 H new ATOM 0 HB2 ARG A 73 -12.470 -2.835 2.084 1.00 0.88 H new ATOM 0 HB3 ARG A 73 -13.567 -1.910 1.078 1.00 0.88 H new ATOM 0 HG2 ARG A 73 -10.560 -1.563 0.953 1.00 0.59 H new ATOM 0 HG3 ARG A 73 -11.419 -2.744 -0.015 1.00 0.59 H new ATOM 0 HD2 ARG A 73 -12.007 0.241 -0.006 1.00 0.71 H new ATOM 0 HD3 ARG A 73 -11.016 -0.574 -1.200 1.00 0.71 H new ATOM 0 HE ARG A 73 -13.951 -1.045 -0.804 1.00 1.08 H new ATOM 0 HH11 ARG A 73 -11.047 -1.145 -2.838 1.00 1.42 H new ATOM 0 HH12 ARG A 73 -11.963 -1.551 -4.294 1.00 1.42 H new ATOM 0 HH21 ARG A 73 -15.087 -1.545 -2.663 1.00 1.44 H new ATOM 0 HH22 ARG A 73 -14.239 -1.777 -4.195 1.00 1.44 H new ATOM 1031 N PHE A 74 -11.118 1.171 2.467 1.00 0.36 N ATOM 1032 CA PHE A 74 -9.861 1.910 2.590 1.00 0.26 C ATOM 1033 C PHE A 74 -9.447 2.039 4.043 1.00 0.22 C ATOM 1034 O PHE A 74 -8.267 1.958 4.375 1.00 0.30 O ATOM 1035 CB PHE A 74 -9.999 3.303 1.989 1.00 0.27 C ATOM 1036 CG PHE A 74 -8.966 3.608 0.945 1.00 0.25 C ATOM 1037 CD1 PHE A 74 -7.707 3.038 1.015 1.00 0.28 C ATOM 1038 CD2 PHE A 74 -9.258 4.459 -0.110 1.00 0.29 C ATOM 1039 CE1 PHE A 74 -6.757 3.312 0.055 1.00 0.31 C ATOM 1040 CE2 PHE A 74 -8.307 4.736 -1.073 1.00 0.32 C ATOM 1041 CZ PHE A 74 -7.055 4.158 -0.990 1.00 0.30 C ATOM 0 H PHE A 74 -11.908 1.734 2.150 1.00 0.36 H new ATOM 0 HA PHE A 74 -9.097 1.352 2.049 1.00 0.26 H new ATOM 0 HB2 PHE A 74 -10.991 3.403 1.548 1.00 0.27 H new ATOM 0 HB3 PHE A 74 -9.928 4.043 2.786 1.00 0.27 H new ATOM 0 HD1 PHE A 74 -7.466 2.372 1.830 1.00 0.28 H new ATOM 0 HD2 PHE A 74 -10.237 4.909 -0.180 1.00 0.29 H new ATOM 0 HE1 PHE A 74 -5.777 2.863 0.122 1.00 0.31 H new ATOM 0 HE2 PHE A 74 -8.542 5.403 -1.889 1.00 0.32 H new ATOM 0 HZ PHE A 74 -6.311 4.369 -1.744 1.00 0.30 H new ATOM 1051 N LYS A 75 -10.425 2.257 4.906 1.00 0.23 N ATOM 1052 CA LYS A 75 -10.165 2.420 6.331 1.00 0.30 C ATOM 1053 C LYS A 75 -9.586 1.146 6.940 1.00 0.28 C ATOM 1054 O LYS A 75 -8.878 1.199 7.944 1.00 0.37 O ATOM 1055 CB LYS A 75 -11.442 2.827 7.068 1.00 0.41 C ATOM 1056 CG LYS A 75 -12.546 1.795 6.979 1.00 0.37 C ATOM 1057 CD LYS A 75 -13.787 2.244 7.732 1.00 0.82 C ATOM 1058 CE LYS A 75 -15.021 2.170 6.853 1.00 1.28 C ATOM 1059 NZ LYS A 75 -16.209 2.769 7.504 1.00 1.72 N ATOM 0 H LYS A 75 -11.409 2.326 4.646 1.00 0.23 H new ATOM 0 HA LYS A 75 -9.426 3.213 6.444 1.00 0.30 H new ATOM 0 HB2 LYS A 75 -11.206 3.005 8.117 1.00 0.41 H new ATOM 0 HB3 LYS A 75 -11.803 3.770 6.658 1.00 0.41 H new ATOM 0 HG2 LYS A 75 -12.797 1.618 5.933 1.00 0.37 H new ATOM 0 HG3 LYS A 75 -12.194 0.847 7.387 1.00 0.37 H new ATOM 0 HD2 LYS A 75 -13.927 1.618 8.613 1.00 0.82 H new ATOM 0 HD3 LYS A 75 -13.651 3.266 8.086 1.00 0.82 H new ATOM 0 HE2 LYS A 75 -14.826 2.685 5.912 1.00 1.28 H new ATOM 0 HE3 LYS A 75 -15.229 1.128 6.609 1.00 1.28 H new ATOM 0 HZ1 LYS A 75 -17.028 2.696 6.867 1.00 1.72 H new ATOM 0 HZ2 LYS A 75 -16.412 2.262 8.389 1.00 1.72 H new ATOM 0 HZ3 LYS A 75 -16.022 3.770 7.714 1.00 1.72 H new ATOM 1073 N TYR A 76 -9.864 0.006 6.321 1.00 0.21 N ATOM 1074 CA TYR A 76 -9.342 -1.261 6.816 1.00 0.22 C ATOM 1075 C TYR A 76 -7.881 -1.418 6.420 1.00 0.20 C ATOM 1076 O TYR A 76 -7.182 -2.306 6.911 1.00 0.23 O ATOM 1077 CB TYR A 76 -10.162 -2.432 6.276 1.00 0.24 C ATOM 1078 CG TYR A 76 -11.657 -2.252 6.415 1.00 0.40 C ATOM 1079 CD1 TYR A 76 -12.229 -1.848 7.616 1.00 0.74 C ATOM 1080 CD2 TYR A 76 -12.501 -2.502 5.343 1.00 0.44 C ATOM 1081 CE1 TYR A 76 -13.600 -1.684 7.738 1.00 0.92 C ATOM 1082 CE2 TYR A 76 -13.867 -2.341 5.455 1.00 0.61 C ATOM 1083 CZ TYR A 76 -14.413 -1.940 6.654 1.00 0.79 C ATOM 1084 OH TYR A 76 -15.779 -1.784 6.760 1.00 0.99 O ATOM 0 H TYR A 76 -10.442 -0.068 5.484 1.00 0.21 H new ATOM 0 HA TYR A 76 -9.416 -1.261 7.903 1.00 0.22 H new ATOM 0 HB2 TYR A 76 -9.920 -2.577 5.223 1.00 0.24 H new ATOM 0 HB3 TYR A 76 -9.866 -3.341 6.799 1.00 0.24 H new ATOM 0 HD1 TYR A 76 -11.594 -1.659 8.469 1.00 0.74 H new ATOM 0 HD2 TYR A 76 -12.081 -2.829 4.403 1.00 0.44 H new ATOM 0 HE1 TYR A 76 -14.028 -1.358 8.675 1.00 0.92 H new ATOM 0 HE2 TYR A 76 -14.506 -2.529 4.605 1.00 0.61 H new ATOM 0 HH TYR A 76 -16.201 -2.005 5.904 1.00 0.99 H new ATOM 1094 N PHE A 77 -7.430 -0.529 5.545 1.00 0.18 N ATOM 1095 CA PHE A 77 -6.055 -0.530 5.070 1.00 0.21 C ATOM 1096 C PHE A 77 -5.246 0.545 5.785 1.00 0.24 C ATOM 1097 O PHE A 77 -4.013 0.540 5.760 1.00 0.27 O ATOM 1098 CB PHE A 77 -6.044 -0.232 3.575 1.00 0.20 C ATOM 1099 CG PHE A 77 -5.707 -1.397 2.698 1.00 0.16 C ATOM 1100 CD1 PHE A 77 -4.854 -2.376 3.161 1.00 0.17 C ATOM 1101 CD2 PHE A 77 -6.254 -1.533 1.432 1.00 0.22 C ATOM 1102 CE1 PHE A 77 -4.544 -3.466 2.384 1.00 0.19 C ATOM 1103 CE2 PHE A 77 -5.947 -2.628 0.646 1.00 0.26 C ATOM 1104 CZ PHE A 77 -5.074 -3.508 1.015 1.00 0.24 C ATOM 0 H PHE A 77 -8.007 0.211 5.146 1.00 0.18 H new ATOM 0 HA PHE A 77 -5.614 -1.507 5.270 1.00 0.21 H new ATOM 0 HB2 PHE A 77 -7.025 0.147 3.289 1.00 0.20 H new ATOM 0 HB3 PHE A 77 -5.326 0.566 3.385 1.00 0.20 H new ATOM 0 HD1 PHE A 77 -4.424 -2.285 4.147 1.00 0.17 H new ATOM 0 HD2 PHE A 77 -6.927 -0.776 1.056 1.00 0.22 H new ATOM 0 HE1 PHE A 77 -3.930 -4.267 2.768 1.00 0.19 H new ATOM 0 HE2 PHE A 77 -6.450 -2.752 -0.302 1.00 0.26 H new ATOM 0 HZ PHE A 77 -4.738 -4.266 0.323 1.00 0.24 H new ATOM 1114 N LYS A 78 -5.957 1.487 6.396 1.00 0.27 N ATOM 1115 CA LYS A 78 -5.333 2.614 7.094 1.00 0.34 C ATOM 1116 C LYS A 78 -4.408 2.156 8.220 1.00 0.37 C ATOM 1117 O LYS A 78 -3.423 2.826 8.536 1.00 0.42 O ATOM 1118 CB LYS A 78 -6.407 3.555 7.643 1.00 0.43 C ATOM 1119 CG LYS A 78 -6.218 5.004 7.226 1.00 0.68 C ATOM 1120 CD LYS A 78 -7.206 5.404 6.137 1.00 0.82 C ATOM 1121 CE LYS A 78 -7.664 6.844 6.297 1.00 0.98 C ATOM 1122 NZ LYS A 78 -8.348 7.059 7.597 1.00 1.37 N ATOM 0 H LYS A 78 -6.977 1.495 6.424 1.00 0.27 H new ATOM 0 HA LYS A 78 -4.720 3.147 6.367 1.00 0.34 H new ATOM 0 HB2 LYS A 78 -7.385 3.213 7.305 1.00 0.43 H new ATOM 0 HB3 LYS A 78 -6.408 3.496 8.731 1.00 0.43 H new ATOM 0 HG2 LYS A 78 -6.347 5.653 8.092 1.00 0.68 H new ATOM 0 HG3 LYS A 78 -5.199 5.151 6.867 1.00 0.68 H new ATOM 0 HD2 LYS A 78 -6.742 5.276 5.159 1.00 0.82 H new ATOM 0 HD3 LYS A 78 -8.071 4.741 6.168 1.00 0.82 H new ATOM 0 HE2 LYS A 78 -6.804 7.510 6.223 1.00 0.98 H new ATOM 0 HE3 LYS A 78 -8.340 7.104 5.482 1.00 0.98 H new ATOM 0 HZ1 LYS A 78 -9.058 7.812 7.495 1.00 1.37 H new ATOM 0 HZ2 LYS A 78 -8.817 6.179 7.892 1.00 1.37 H new ATOM 0 HZ3 LYS A 78 -7.649 7.337 8.315 1.00 1.37 H new ATOM 1136 N ALA A 79 -4.719 1.012 8.811 1.00 0.37 N ATOM 1137 CA ALA A 79 -3.909 0.470 9.884 1.00 0.46 C ATOM 1138 C ALA A 79 -2.523 0.101 9.378 1.00 0.41 C ATOM 1139 O ALA A 79 -1.529 0.227 10.095 1.00 0.49 O ATOM 1140 CB ALA A 79 -4.601 -0.738 10.486 1.00 0.56 C ATOM 0 H ALA A 79 -5.528 0.443 8.563 1.00 0.37 H new ATOM 0 HA ALA A 79 -3.790 1.230 10.656 1.00 0.46 H new ATOM 0 HB1 ALA A 79 -3.990 -1.143 11.292 1.00 0.56 H new ATOM 0 HB2 ALA A 79 -5.573 -0.441 10.881 1.00 0.56 H new ATOM 0 HB3 ALA A 79 -4.739 -1.499 9.718 1.00 0.56 H new ATOM 1146 N THR A 80 -2.459 -0.351 8.139 1.00 0.31 N ATOM 1147 CA THR A 80 -1.207 -0.740 7.536 1.00 0.30 C ATOM 1148 C THR A 80 -0.507 0.441 6.868 1.00 0.24 C ATOM 1149 O THR A 80 0.707 0.610 6.998 1.00 0.27 O ATOM 1150 CB THR A 80 -1.460 -1.837 6.503 1.00 0.36 C ATOM 1151 OG1 THR A 80 -2.814 -2.284 6.628 1.00 0.53 O ATOM 1152 CG2 THR A 80 -0.510 -3.003 6.707 1.00 0.46 C ATOM 0 H THR A 80 -3.270 -0.457 7.530 1.00 0.31 H new ATOM 0 HA THR A 80 -0.554 -1.109 8.327 1.00 0.30 H new ATOM 0 HB THR A 80 -1.288 -1.434 5.505 1.00 0.36 H new ATOM 0 HG1 THR A 80 -3.329 -1.991 5.847 1.00 0.53 H new ATOM 0 HG21 THR A 80 -0.710 -3.771 5.959 1.00 0.46 H new ATOM 0 HG22 THR A 80 0.518 -2.657 6.605 1.00 0.46 H new ATOM 0 HG23 THR A 80 -0.655 -3.420 7.703 1.00 0.46 H new ATOM 1160 N ILE A 81 -1.280 1.250 6.154 1.00 0.21 N ATOM 1161 CA ILE A 81 -0.743 2.416 5.456 1.00 0.24 C ATOM 1162 C ILE A 81 -0.078 3.373 6.439 1.00 0.28 C ATOM 1163 O ILE A 81 0.967 3.950 6.145 1.00 0.34 O ATOM 1164 CB ILE A 81 -1.842 3.170 4.668 1.00 0.30 C ATOM 1165 CG1 ILE A 81 -2.566 2.228 3.711 1.00 0.37 C ATOM 1166 CG2 ILE A 81 -1.252 4.344 3.903 1.00 0.34 C ATOM 1167 CD1 ILE A 81 -3.843 2.818 3.165 1.00 0.55 C ATOM 0 H ILE A 81 -2.286 1.121 6.042 1.00 0.21 H new ATOM 0 HA ILE A 81 -0.001 2.050 4.746 1.00 0.24 H new ATOM 0 HB ILE A 81 -2.564 3.555 5.388 1.00 0.30 H new ATOM 0 HG12 ILE A 81 -1.903 1.979 2.883 1.00 0.37 H new ATOM 0 HG13 ILE A 81 -2.794 1.296 4.228 1.00 0.37 H new ATOM 0 HG21 ILE A 81 -2.044 4.858 3.358 1.00 0.34 H new ATOM 0 HG22 ILE A 81 -0.785 5.037 4.603 1.00 0.34 H new ATOM 0 HG23 ILE A 81 -0.503 3.980 3.199 1.00 0.34 H new ATOM 0 HD11 ILE A 81 -4.315 2.103 2.490 1.00 0.55 H new ATOM 0 HD12 ILE A 81 -4.521 3.042 3.988 1.00 0.55 H new ATOM 0 HD13 ILE A 81 -3.617 3.735 2.621 1.00 0.55 H new ATOM 1179 N ALA A 82 -0.682 3.533 7.613 1.00 0.31 N ATOM 1180 CA ALA A 82 -0.133 4.420 8.634 1.00 0.39 C ATOM 1181 C ALA A 82 1.204 3.905 9.150 1.00 0.41 C ATOM 1182 O ALA A 82 2.154 4.674 9.300 1.00 0.53 O ATOM 1183 CB ALA A 82 -1.113 4.577 9.779 1.00 0.46 C ATOM 0 H ALA A 82 -1.547 3.063 7.880 1.00 0.31 H new ATOM 0 HA ALA A 82 0.035 5.395 8.177 1.00 0.39 H new ATOM 0 HB1 ALA A 82 -0.689 5.241 10.532 1.00 0.46 H new ATOM 0 HB2 ALA A 82 -2.045 5.001 9.405 1.00 0.46 H new ATOM 0 HB3 ALA A 82 -1.311 3.602 10.225 1.00 0.46 H new ATOM 1189 N ASP A 83 1.273 2.603 9.410 1.00 0.37 N ATOM 1190 CA ASP A 83 2.501 1.982 9.905 1.00 0.42 C ATOM 1191 C ASP A 83 3.607 2.080 8.862 1.00 0.39 C ATOM 1192 O ASP A 83 4.746 2.427 9.174 1.00 0.46 O ATOM 1193 CB ASP A 83 2.236 0.511 10.262 1.00 0.47 C ATOM 1194 CG ASP A 83 3.506 -0.315 10.394 1.00 0.80 C ATOM 1195 OD1 ASP A 83 4.282 -0.076 11.341 1.00 1.37 O ATOM 1196 OD2 ASP A 83 3.725 -1.224 9.564 1.00 1.40 O ATOM 0 H ASP A 83 0.494 1.956 9.287 1.00 0.37 H new ATOM 0 HA ASP A 83 2.825 2.512 10.801 1.00 0.42 H new ATOM 0 HB2 ASP A 83 1.683 0.466 11.200 1.00 0.47 H new ATOM 0 HB3 ASP A 83 1.600 0.067 9.496 1.00 0.47 H new ATOM 1201 N LEU A 84 3.263 1.782 7.616 1.00 0.32 N ATOM 1202 CA LEU A 84 4.230 1.838 6.531 1.00 0.31 C ATOM 1203 C LEU A 84 4.654 3.279 6.236 1.00 0.35 C ATOM 1204 O LEU A 84 5.804 3.530 5.885 1.00 0.42 O ATOM 1205 CB LEU A 84 3.647 1.191 5.274 1.00 0.29 C ATOM 1206 CG LEU A 84 3.746 -0.335 5.219 1.00 0.36 C ATOM 1207 CD1 LEU A 84 2.574 -0.916 4.446 1.00 0.40 C ATOM 1208 CD2 LEU A 84 5.065 -0.763 4.594 1.00 0.48 C ATOM 0 H LEU A 84 2.324 1.500 7.333 1.00 0.32 H new ATOM 0 HA LEU A 84 5.117 1.285 6.841 1.00 0.31 H new ATOM 0 HB2 LEU A 84 2.597 1.474 5.193 1.00 0.29 H new ATOM 0 HB3 LEU A 84 4.156 1.603 4.403 1.00 0.29 H new ATOM 0 HG LEU A 84 3.710 -0.720 6.238 1.00 0.36 H new ATOM 0 HD11 LEU A 84 2.660 -2.002 4.417 1.00 0.40 H new ATOM 0 HD12 LEU A 84 1.641 -0.639 4.937 1.00 0.40 H new ATOM 0 HD13 LEU A 84 2.579 -0.524 3.429 1.00 0.40 H new ATOM 0 HD21 LEU A 84 5.117 -1.851 4.564 1.00 0.48 H new ATOM 0 HD22 LEU A 84 5.132 -0.368 3.580 1.00 0.48 H new ATOM 0 HD23 LEU A 84 5.892 -0.377 5.190 1.00 0.48 H new ATOM 1220 N SER A 85 3.742 4.228 6.406 1.00 0.37 N ATOM 1221 CA SER A 85 4.058 5.631 6.169 1.00 0.50 C ATOM 1222 C SER A 85 4.942 6.163 7.292 1.00 0.61 C ATOM 1223 O SER A 85 5.711 7.109 7.111 1.00 0.73 O ATOM 1224 CB SER A 85 2.776 6.450 6.055 1.00 0.57 C ATOM 1225 OG SER A 85 2.984 7.655 5.337 1.00 1.37 O ATOM 0 H SER A 85 2.783 4.053 6.705 1.00 0.37 H new ATOM 0 HA SER A 85 4.603 5.719 5.229 1.00 0.50 H new ATOM 0 HB2 SER A 85 2.009 5.857 5.556 1.00 0.57 H new ATOM 0 HB3 SER A 85 2.402 6.681 7.052 1.00 0.57 H new ATOM 0 HG SER A 85 2.275 7.765 4.670 1.00 1.37 H new ATOM 1231 N LYS A 86 4.830 5.534 8.452 1.00 0.60 N ATOM 1232 CA LYS A 86 5.618 5.919 9.605 1.00 0.74 C ATOM 1233 C LYS A 86 7.046 5.397 9.477 1.00 0.78 C ATOM 1234 O LYS A 86 7.997 6.163 9.569 1.00 0.98 O ATOM 1235 CB LYS A 86 4.985 5.398 10.896 1.00 0.75 C ATOM 1236 CG LYS A 86 4.262 6.471 11.682 1.00 1.29 C ATOM 1237 CD LYS A 86 3.605 5.909 12.932 1.00 1.79 C ATOM 1238 CE LYS A 86 2.091 5.890 12.801 1.00 2.34 C ATOM 1239 NZ LYS A 86 1.415 5.988 14.117 1.00 3.07 N ATOM 0 H LYS A 86 4.197 4.751 8.617 1.00 0.60 H new ATOM 0 HA LYS A 86 5.643 7.008 9.646 1.00 0.74 H new ATOM 0 HB2 LYS A 86 4.283 4.600 10.653 1.00 0.75 H new ATOM 0 HB3 LYS A 86 5.762 4.959 11.522 1.00 0.75 H new ATOM 0 HG2 LYS A 86 4.967 7.253 11.962 1.00 1.29 H new ATOM 0 HG3 LYS A 86 3.505 6.936 11.051 1.00 1.29 H new ATOM 0 HD2 LYS A 86 3.969 4.898 13.113 1.00 1.79 H new ATOM 0 HD3 LYS A 86 3.890 6.510 13.796 1.00 1.79 H new ATOM 0 HE2 LYS A 86 1.772 6.718 12.168 1.00 2.34 H new ATOM 0 HE3 LYS A 86 1.782 4.971 12.303 1.00 2.34 H new ATOM 0 HZ1 LYS A 86 0.384 5.971 13.980 1.00 3.07 H new ATOM 0 HZ2 LYS A 86 1.698 5.184 14.713 1.00 3.07 H new ATOM 0 HZ3 LYS A 86 1.688 6.877 14.582 1.00 3.07 H new ATOM 1253 N LYS A 87 7.182 4.092 9.273 1.00 0.75 N ATOM 1254 CA LYS A 87 8.496 3.446 9.156 1.00 0.86 C ATOM 1255 C LYS A 87 9.293 3.896 7.923 1.00 0.93 C ATOM 1256 O LYS A 87 10.518 3.778 7.901 1.00 1.11 O ATOM 1257 CB LYS A 87 8.323 1.925 9.135 1.00 0.91 C ATOM 1258 CG LYS A 87 7.459 1.402 10.268 1.00 1.01 C ATOM 1259 CD LYS A 87 8.239 0.471 11.180 1.00 1.35 C ATOM 1260 CE LYS A 87 8.490 1.098 12.538 1.00 2.18 C ATOM 1261 NZ LYS A 87 9.781 0.649 13.119 1.00 2.78 N ATOM 0 H LYS A 87 6.394 3.450 9.184 1.00 0.75 H new ATOM 0 HA LYS A 87 9.074 3.754 10.027 1.00 0.86 H new ATOM 0 HB2 LYS A 87 7.880 1.630 8.184 1.00 0.91 H new ATOM 0 HB3 LYS A 87 9.305 1.454 9.189 1.00 0.91 H new ATOM 0 HG2 LYS A 87 7.071 2.240 10.848 1.00 1.01 H new ATOM 0 HG3 LYS A 87 6.599 0.874 9.857 1.00 1.01 H new ATOM 0 HD2 LYS A 87 7.688 -0.461 11.306 1.00 1.35 H new ATOM 0 HD3 LYS A 87 9.191 0.218 10.714 1.00 1.35 H new ATOM 0 HE2 LYS A 87 8.492 2.184 12.443 1.00 2.18 H new ATOM 0 HE3 LYS A 87 7.676 0.838 13.215 1.00 2.18 H new ATOM 0 HZ1 LYS A 87 9.609 0.199 14.041 1.00 2.78 H new ATOM 0 HZ2 LYS A 87 10.231 -0.036 12.478 1.00 2.78 H new ATOM 0 HZ3 LYS A 87 10.409 1.469 13.246 1.00 2.78 H new ATOM 1275 N ARG A 88 8.606 4.401 6.900 1.00 0.86 N ATOM 1276 CA ARG A 88 9.284 4.847 5.678 1.00 1.01 C ATOM 1277 C ARG A 88 9.975 6.204 5.865 1.00 1.29 C ATOM 1278 O ARG A 88 10.830 6.581 5.065 1.00 1.77 O ATOM 1279 CB ARG A 88 8.298 4.921 4.503 1.00 1.08 C ATOM 1280 CG ARG A 88 7.299 6.057 4.616 1.00 1.51 C ATOM 1281 CD ARG A 88 7.260 6.912 3.357 1.00 1.54 C ATOM 1282 NE ARG A 88 6.370 8.060 3.503 1.00 1.87 N ATOM 1283 CZ ARG A 88 5.428 8.398 2.617 1.00 2.17 C ATOM 1284 NH1 ARG A 88 5.274 7.702 1.496 1.00 2.14 N ATOM 1285 NH2 ARG A 88 4.625 9.426 2.864 1.00 3.01 N ATOM 0 H ARG A 88 7.592 4.512 6.889 1.00 0.86 H new ATOM 0 HA ARG A 88 10.053 4.108 5.455 1.00 1.01 H new ATOM 0 HB2 ARG A 88 8.859 5.034 3.576 1.00 1.08 H new ATOM 0 HB3 ARG A 88 7.756 3.978 4.435 1.00 1.08 H new ATOM 0 HG2 ARG A 88 6.307 5.649 4.808 1.00 1.51 H new ATOM 0 HG3 ARG A 88 7.557 6.682 5.471 1.00 1.51 H new ATOM 0 HD2 ARG A 88 8.266 7.261 3.124 1.00 1.54 H new ATOM 0 HD3 ARG A 88 6.931 6.303 2.515 1.00 1.54 H new ATOM 0 HE ARG A 88 6.474 8.642 4.335 1.00 1.87 H new ATOM 0 HH11 ARG A 88 5.877 6.902 1.305 1.00 2.14 H new ATOM 0 HH12 ARG A 88 4.552 7.968 0.826 1.00 2.14 H new ATOM 0 HH21 ARG A 88 4.727 9.957 3.729 1.00 3.01 H new ATOM 0 HH22 ARG A 88 3.906 9.685 2.189 1.00 3.01 H new ATOM 1299 N SER A 89 9.609 6.945 6.902 1.00 1.73 N ATOM 1300 CA SER A 89 10.211 8.258 7.125 1.00 2.12 C ATOM 1301 C SER A 89 10.635 8.474 8.576 1.00 2.14 C ATOM 1302 O SER A 89 11.739 8.955 8.848 1.00 2.69 O ATOM 1303 CB SER A 89 9.228 9.355 6.697 1.00 2.71 C ATOM 1304 OG SER A 89 8.017 8.790 6.214 1.00 3.17 O ATOM 0 H SER A 89 8.911 6.669 7.593 1.00 1.73 H new ATOM 0 HA SER A 89 11.116 8.307 6.519 1.00 2.12 H new ATOM 0 HB2 SER A 89 9.017 10.010 7.542 1.00 2.71 H new ATOM 0 HB3 SER A 89 9.681 9.972 5.921 1.00 2.71 H new ATOM 0 HG SER A 89 7.549 8.341 6.949 1.00 3.17 H new ATOM 1310 N SER A 90 9.756 8.133 9.504 1.00 2.07 N ATOM 1311 CA SER A 90 10.028 8.302 10.923 1.00 2.75 C ATOM 1312 C SER A 90 10.825 7.130 11.491 1.00 3.15 C ATOM 1313 O SER A 90 10.472 6.562 12.525 1.00 3.96 O ATOM 1314 CB SER A 90 8.712 8.480 11.688 1.00 3.34 C ATOM 1315 OG SER A 90 7.968 9.578 11.175 1.00 3.54 O ATOM 0 H SER A 90 8.840 7.734 9.298 1.00 2.07 H new ATOM 0 HA SER A 90 10.638 9.197 11.045 1.00 2.75 H new ATOM 0 HB2 SER A 90 8.119 7.568 11.615 1.00 3.34 H new ATOM 0 HB3 SER A 90 8.921 8.640 12.746 1.00 3.34 H new ATOM 0 HG SER A 90 7.132 9.670 11.678 1.00 3.54 H new ATOM 1321 N GLU A 91 11.918 6.793 10.828 1.00 3.20 N ATOM 1322 CA GLU A 91 12.784 5.718 11.276 1.00 4.20 C ATOM 1323 C GLU A 91 14.218 6.244 11.344 1.00 4.96 C ATOM 1324 O GLU A 91 15.168 5.464 11.141 1.00 5.32 O ATOM 1325 CB GLU A 91 12.682 4.509 10.338 1.00 4.72 C ATOM 1326 CG GLU A 91 13.155 3.211 10.966 1.00 5.09 C ATOM 1327 CD GLU A 91 12.028 2.409 11.582 1.00 5.88 C ATOM 1328 OE1 GLU A 91 11.499 2.824 12.633 1.00 6.44 O ATOM 1329 OE2 GLU A 91 11.668 1.348 11.023 1.00 6.23 O ATOM 1330 OXT GLU A 91 14.384 7.461 11.594 1.00 5.59 O ATOM 0 H GLU A 91 12.228 7.253 9.972 1.00 3.20 H new ATOM 0 HA GLU A 91 12.474 5.383 12.266 1.00 4.20 H new ATOM 0 HB2 GLU A 91 11.646 4.393 10.020 1.00 4.72 H new ATOM 0 HB3 GLU A 91 13.270 4.705 9.441 1.00 4.72 H new ATOM 0 HG2 GLU A 91 13.652 2.606 10.207 1.00 5.09 H new ATOM 0 HG3 GLU A 91 13.897 3.434 11.733 1.00 5.09 H new TER 1337 GLU A 91