USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 553 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 18 HIS : no HD1:sc= -1.13 K(o=-12,f=-10) USER MOD Set 1.2: A 21 HIS : no HE2:sc= -7.14! C(o=-12!,f=-11!) USER MOD Set 1.3: A 53 ASN : amide:sc= -3.79! C(o=-12!,f=-11!) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -4.18! C(o=-4.2!,f=-2.8!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -0.917 X(o=-0.92,f=-1.2) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot -83:sc= 1.23 USER MOD Single : A 31 ASN : amide:sc= -2.44! C(o=-2.4!,f=-3.4!) USER MOD Single : A 33 ASN : amide:sc= -0.436 X(o=-0.44,f=-0.14) USER MOD Single : A 36 LYS NZ :NH3+ 156:sc= -0.157 (180deg=-0.705) USER MOD Single : A 38 GLN : amide:sc= -0.0177 X(o=-0.018,f=-0.018) USER MOD Single : A 39 TYR OH : rot -156:sc= 0.912 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= -0.995 USER MOD Single : A 51 LYS NZ :NH3+ 149:sc= -0.305 (180deg=-1.41!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.115 X(o=-0.11,f=-0.45) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 58 N MET A 9 -15.428 -5.844 2.304 1.00 1.18 N ATOM 59 CA MET A 9 -13.995 -5.580 2.356 1.00 0.82 C ATOM 60 C MET A 9 -13.291 -6.191 1.151 1.00 0.72 C ATOM 61 O MET A 9 -13.576 -7.323 0.761 1.00 0.97 O ATOM 62 CB MET A 9 -13.409 -6.151 3.644 1.00 1.08 C ATOM 63 CG MET A 9 -12.643 -5.091 4.430 1.00 1.61 C ATOM 64 SD MET A 9 -11.920 -5.744 5.944 1.00 2.27 S ATOM 65 CE MET A 9 -12.656 -4.653 7.172 1.00 2.82 C ATOM 0 HA MET A 9 -13.841 -4.501 2.336 1.00 0.82 H new ATOM 0 HB2 MET A 9 -14.211 -6.554 4.262 1.00 1.08 H new ATOM 0 HB3 MET A 9 -12.743 -6.980 3.405 1.00 1.08 H new ATOM 0 HG2 MET A 9 -11.853 -4.678 3.803 1.00 1.61 H new ATOM 0 HG3 MET A 9 -13.316 -4.270 4.677 1.00 1.61 H new ATOM 0 HE1 MET A 9 -12.303 -4.932 8.165 1.00 2.82 H new ATOM 0 HE2 MET A 9 -12.369 -3.623 6.962 1.00 2.82 H new ATOM 0 HE3 MET A 9 -13.742 -4.742 7.134 1.00 2.82 H new ATOM 75 N ASP A 10 -12.367 -5.433 0.570 1.00 0.49 N ATOM 76 CA ASP A 10 -11.613 -5.893 -0.589 1.00 0.42 C ATOM 77 C ASP A 10 -10.120 -5.696 -0.358 1.00 0.38 C ATOM 78 O ASP A 10 -9.675 -4.598 -0.028 1.00 0.54 O ATOM 79 CB ASP A 10 -12.051 -5.131 -1.836 1.00 0.44 C ATOM 80 CG ASP A 10 -13.252 -5.814 -2.477 1.00 0.86 C ATOM 81 OD1 ASP A 10 -13.114 -6.975 -2.912 1.00 1.53 O ATOM 82 OD2 ASP A 10 -14.330 -5.184 -2.542 1.00 1.55 O ATOM 0 H ASP A 10 -12.122 -4.494 0.885 1.00 0.49 H new ATOM 0 HA ASP A 10 -11.810 -6.955 -0.735 1.00 0.42 H new ATOM 0 HB2 ASP A 10 -12.305 -4.104 -1.573 1.00 0.44 H new ATOM 0 HB3 ASP A 10 -11.228 -5.083 -2.549 1.00 0.44 H new ATOM 87 N TYR A 11 -9.352 -6.767 -0.526 1.00 0.40 N ATOM 88 CA TYR A 11 -7.908 -6.708 -0.326 1.00 0.37 C ATOM 89 C TYR A 11 -7.165 -6.961 -1.632 1.00 0.34 C ATOM 90 O TYR A 11 -7.670 -7.639 -2.527 1.00 0.38 O ATOM 91 CB TYR A 11 -7.486 -7.739 0.716 1.00 0.42 C ATOM 92 CG TYR A 11 -7.633 -9.161 0.232 1.00 0.48 C ATOM 93 CD1 TYR A 11 -8.832 -9.831 0.397 1.00 0.54 C ATOM 94 CD2 TYR A 11 -6.569 -9.799 -0.380 1.00 0.57 C ATOM 95 CE1 TYR A 11 -8.966 -11.135 -0.046 1.00 0.63 C ATOM 96 CE2 TYR A 11 -6.702 -11.103 -0.823 1.00 0.67 C ATOM 97 CZ TYR A 11 -7.906 -11.764 -0.656 1.00 0.67 C ATOM 98 OH TYR A 11 -8.033 -13.063 -1.095 1.00 0.78 O ATOM 0 H TYR A 11 -9.704 -7.685 -0.800 1.00 0.40 H new ATOM 0 HA TYR A 11 -7.653 -5.709 0.026 1.00 0.37 H new ATOM 0 HB2 TYR A 11 -6.447 -7.561 0.995 1.00 0.42 H new ATOM 0 HB3 TYR A 11 -8.085 -7.604 1.616 1.00 0.42 H new ATOM 0 HD1 TYR A 11 -9.665 -9.335 0.873 1.00 0.54 H new ATOM 0 HD2 TYR A 11 -5.632 -9.278 -0.512 1.00 0.57 H new ATOM 0 HE1 TYR A 11 -9.902 -11.658 0.087 1.00 0.63 H new ATOM 0 HE2 TYR A 11 -5.870 -11.603 -1.297 1.00 0.67 H new ATOM 0 HH TYR A 11 -7.191 -13.354 -1.503 1.00 0.78 H new ATOM 108 N VAL A 12 -5.958 -6.414 -1.727 1.00 0.34 N ATOM 109 CA VAL A 12 -5.125 -6.574 -2.914 1.00 0.34 C ATOM 110 C VAL A 12 -3.660 -6.665 -2.510 1.00 0.35 C ATOM 111 O VAL A 12 -3.269 -6.184 -1.447 1.00 0.51 O ATOM 112 CB VAL A 12 -5.317 -5.407 -3.893 1.00 0.38 C ATOM 113 CG1 VAL A 12 -6.247 -5.816 -5.031 1.00 0.81 C ATOM 114 CG2 VAL A 12 -5.838 -4.148 -3.197 1.00 0.52 C ATOM 0 H VAL A 12 -5.532 -5.852 -0.990 1.00 0.34 H new ATOM 0 HA VAL A 12 -5.427 -7.494 -3.415 1.00 0.34 H new ATOM 0 HB VAL A 12 -4.338 -5.163 -4.304 1.00 0.38 H new ATOM 0 HG11 VAL A 12 -6.373 -4.978 -5.717 1.00 0.81 H new ATOM 0 HG12 VAL A 12 -5.816 -6.662 -5.567 1.00 0.81 H new ATOM 0 HG13 VAL A 12 -7.217 -6.101 -4.624 1.00 0.81 H new ATOM 0 HG21 VAL A 12 -5.958 -3.350 -3.930 1.00 0.52 H new ATOM 0 HG22 VAL A 12 -6.801 -4.361 -2.732 1.00 0.52 H new ATOM 0 HG23 VAL A 12 -5.127 -3.834 -2.432 1.00 0.52 H new ATOM 124 N GLU A 13 -2.853 -7.288 -3.360 1.00 0.49 N ATOM 125 CA GLU A 13 -1.428 -7.444 -3.087 1.00 0.54 C ATOM 126 C GLU A 13 -0.596 -6.893 -4.237 1.00 0.50 C ATOM 127 O GLU A 13 -0.662 -7.393 -5.359 1.00 0.60 O ATOM 128 CB GLU A 13 -1.102 -8.919 -2.870 1.00 0.67 C ATOM 129 CG GLU A 13 -1.395 -9.354 -1.438 1.00 1.05 C ATOM 130 CD GLU A 13 -0.805 -8.358 -0.450 1.00 1.43 C ATOM 131 OE1 GLU A 13 -0.670 -7.170 -0.811 1.00 2.05 O ATOM 132 OE2 GLU A 13 -0.477 -8.766 0.685 1.00 1.97 O ATOM 0 H GLU A 13 -3.160 -7.694 -4.244 1.00 0.49 H new ATOM 0 HA GLU A 13 -1.184 -6.883 -2.185 1.00 0.54 H new ATOM 0 HB2 GLU A 13 -1.685 -9.527 -3.562 1.00 0.67 H new ATOM 0 HB3 GLU A 13 -0.051 -9.097 -3.097 1.00 0.67 H new ATOM 0 HG2 GLU A 13 -2.472 -9.431 -1.288 1.00 1.05 H new ATOM 0 HG3 GLU A 13 -0.977 -10.345 -1.259 1.00 1.05 H new ATOM 139 N ILE A 14 0.190 -5.860 -3.949 1.00 0.48 N ATOM 140 CA ILE A 14 1.039 -5.242 -4.961 1.00 0.49 C ATOM 141 C ILE A 14 2.495 -5.631 -4.739 1.00 0.48 C ATOM 142 O ILE A 14 3.023 -5.495 -3.636 1.00 0.43 O ATOM 143 CB ILE A 14 0.886 -3.724 -4.919 1.00 0.52 C ATOM 144 CG1 ILE A 14 1.430 -3.158 -3.607 1.00 0.51 C ATOM 145 CG2 ILE A 14 -0.575 -3.326 -5.109 1.00 0.64 C ATOM 146 CD1 ILE A 14 1.242 -1.646 -3.525 1.00 0.63 C ATOM 0 H ILE A 14 0.256 -5.434 -3.025 1.00 0.48 H new ATOM 0 HA ILE A 14 0.729 -5.599 -5.943 1.00 0.49 H new ATOM 0 HB ILE A 14 1.468 -3.302 -5.738 1.00 0.52 H new ATOM 0 HG12 ILE A 14 0.924 -3.634 -2.767 1.00 0.51 H new ATOM 0 HG13 ILE A 14 2.489 -3.399 -3.518 1.00 0.51 H new ATOM 0 HG21 ILE A 14 -0.664 -2.240 -5.076 1.00 0.64 H new ATOM 0 HG22 ILE A 14 -0.929 -3.690 -6.074 1.00 0.64 H new ATOM 0 HG23 ILE A 14 -1.178 -3.764 -4.313 1.00 0.64 H new ATOM 0 HD11 ILE A 14 1.641 -1.281 -2.579 1.00 0.63 H new ATOM 0 HD12 ILE A 14 1.770 -1.168 -4.350 1.00 0.63 H new ATOM 0 HD13 ILE A 14 0.180 -1.407 -3.588 1.00 0.63 H new ATOM 158 N ASN A 15 3.139 -6.121 -5.793 1.00 0.59 N ATOM 159 CA ASN A 15 4.535 -6.535 -5.711 1.00 0.62 C ATOM 160 C ASN A 15 5.460 -5.361 -6.004 1.00 0.60 C ATOM 161 O ASN A 15 5.232 -4.596 -6.941 1.00 0.78 O ATOM 162 CB ASN A 15 4.801 -7.667 -6.698 1.00 0.79 C ATOM 163 CG ASN A 15 5.516 -8.818 -6.002 1.00 1.31 C ATOM 164 OD1 ASN A 15 6.733 -8.788 -5.819 1.00 2.20 O ATOM 165 ND2 ASN A 15 4.758 -9.836 -5.610 1.00 1.54 N ATOM 0 H ASN A 15 2.717 -6.241 -6.714 1.00 0.59 H new ATOM 0 HA ASN A 15 4.733 -6.888 -4.699 1.00 0.62 H new ATOM 0 HB2 ASN A 15 3.860 -8.018 -7.122 1.00 0.79 H new ATOM 0 HB3 ASN A 15 5.407 -7.301 -7.527 1.00 0.79 H new ATOM 0 HD21 ASN A 15 5.181 -10.634 -5.137 1.00 1.54 H new ATOM 0 HD22 ASN A 15 3.753 -9.819 -5.782 1.00 1.54 H new ATOM 172 N ILE A 16 6.506 -5.225 -5.195 1.00 0.49 N ATOM 173 CA ILE A 16 7.470 -4.143 -5.364 1.00 0.49 C ATOM 174 C ILE A 16 8.878 -4.704 -5.505 1.00 0.56 C ATOM 175 O ILE A 16 9.193 -5.763 -4.963 1.00 0.66 O ATOM 176 CB ILE A 16 7.414 -3.199 -4.168 1.00 0.48 C ATOM 177 CG1 ILE A 16 5.988 -2.706 -3.938 1.00 0.63 C ATOM 178 CG2 ILE A 16 8.366 -2.022 -4.359 1.00 0.58 C ATOM 179 CD1 ILE A 16 5.443 -1.975 -5.160 1.00 0.84 C ATOM 0 H ILE A 16 6.708 -5.851 -4.415 1.00 0.49 H new ATOM 0 HA ILE A 16 7.215 -3.592 -6.270 1.00 0.49 H new ATOM 0 HB ILE A 16 7.733 -3.752 -3.285 1.00 0.48 H new ATOM 0 HG12 ILE A 16 5.343 -3.553 -3.702 1.00 0.63 H new ATOM 0 HG13 ILE A 16 5.967 -2.040 -3.076 1.00 0.63 H new ATOM 0 HG21 ILE A 16 8.308 -1.363 -3.493 1.00 0.58 H new ATOM 0 HG22 ILE A 16 9.386 -2.392 -4.466 1.00 0.58 H new ATOM 0 HG23 ILE A 16 8.085 -1.469 -5.255 1.00 0.58 H new ATOM 0 HD11 ILE A 16 4.426 -1.639 -4.959 1.00 0.84 H new ATOM 0 HD12 ILE A 16 6.073 -1.113 -5.380 1.00 0.84 H new ATOM 0 HD13 ILE A 16 5.440 -2.650 -6.016 1.00 0.84 H new ATOM 191 N ASP A 17 9.723 -3.983 -6.232 1.00 0.63 N ATOM 192 CA ASP A 17 11.104 -4.402 -6.441 1.00 0.75 C ATOM 193 C ASP A 17 12.030 -3.646 -5.497 1.00 1.00 C ATOM 194 O ASP A 17 13.061 -3.119 -5.915 1.00 1.75 O ATOM 195 CB ASP A 17 11.513 -4.148 -7.887 1.00 1.27 C ATOM 196 CG ASP A 17 11.001 -5.264 -8.788 1.00 1.63 C ATOM 197 OD1 ASP A 17 9.849 -5.705 -8.592 1.00 2.16 O ATOM 198 OD2 ASP A 17 11.753 -5.695 -9.687 1.00 2.21 O ATOM 0 H ASP A 17 9.476 -3.104 -6.687 1.00 0.63 H new ATOM 0 HA ASP A 17 11.183 -5.469 -6.232 1.00 0.75 H new ATOM 0 HB2 ASP A 17 11.114 -3.190 -8.221 1.00 1.27 H new ATOM 0 HB3 ASP A 17 12.599 -4.084 -7.958 1.00 1.27 H new ATOM 203 N HIS A 18 11.655 -3.595 -4.222 1.00 1.27 N ATOM 204 CA HIS A 18 12.448 -2.900 -3.212 1.00 1.85 C ATOM 205 C HIS A 18 12.362 -1.392 -3.418 1.00 1.32 C ATOM 206 O HIS A 18 11.471 -0.905 -4.109 1.00 2.00 O ATOM 207 CB HIS A 18 13.904 -3.354 -3.284 1.00 2.83 C ATOM 208 CG HIS A 18 14.392 -3.957 -2.003 1.00 3.48 C ATOM 209 ND1 HIS A 18 14.853 -3.213 -0.949 1.00 4.01 N ATOM 210 CD2 HIS A 18 14.497 -5.248 -1.594 1.00 4.16 C ATOM 211 CE1 HIS A 18 15.220 -3.986 0.047 1.00 4.73 C ATOM 212 NE2 HIS A 18 15.016 -5.243 -0.312 1.00 4.84 N ATOM 0 H HIS A 18 10.804 -4.028 -3.863 1.00 1.27 H new ATOM 0 HA HIS A 18 12.049 -3.143 -2.227 1.00 1.85 H new ATOM 0 HB2 HIS A 18 14.012 -4.083 -4.087 1.00 2.83 H new ATOM 0 HB3 HIS A 18 14.533 -2.501 -3.541 1.00 2.83 H new ATOM 0 HD2 HIS A 18 14.224 -6.122 -2.167 1.00 4.16 H new ATOM 0 HE1 HIS A 18 15.619 -3.654 0.994 1.00 4.73 H new ATOM 0 HE2 HIS A 18 15.208 -6.066 0.258 1.00 4.84 H new ATOM 220 N LYS A 19 13.298 -0.664 -2.812 1.00 0.82 N ATOM 221 CA LYS A 19 13.354 0.793 -2.920 1.00 0.84 C ATOM 222 C LYS A 19 12.213 1.465 -2.156 1.00 0.77 C ATOM 223 O LYS A 19 12.458 2.309 -1.293 1.00 1.13 O ATOM 224 CB LYS A 19 13.326 1.214 -4.385 1.00 1.47 C ATOM 225 CG LYS A 19 14.487 0.603 -5.166 1.00 1.97 C ATOM 226 CD LYS A 19 14.019 -0.004 -6.485 1.00 2.72 C ATOM 227 CE LYS A 19 15.007 0.274 -7.614 1.00 3.37 C ATOM 228 NZ LYS A 19 14.915 -0.761 -8.681 1.00 4.03 N ATOM 0 H LYS A 19 14.037 -1.065 -2.234 1.00 0.82 H new ATOM 0 HA LYS A 19 14.290 1.120 -2.468 1.00 0.84 H new ATOM 0 HB2 LYS A 19 12.382 0.907 -4.835 1.00 1.47 H new ATOM 0 HB3 LYS A 19 13.373 2.301 -4.453 1.00 1.47 H new ATOM 0 HG2 LYS A 19 15.237 1.369 -5.363 1.00 1.97 H new ATOM 0 HG3 LYS A 19 14.968 -0.166 -4.562 1.00 1.97 H new ATOM 0 HD2 LYS A 19 13.894 -1.080 -6.367 1.00 2.72 H new ATOM 0 HD3 LYS A 19 13.042 0.403 -6.747 1.00 2.72 H new ATOM 0 HE2 LYS A 19 14.808 1.257 -8.040 1.00 3.37 H new ATOM 0 HE3 LYS A 19 16.021 0.299 -7.215 1.00 3.37 H new ATOM 0 HZ1 LYS A 19 15.599 -0.545 -9.434 1.00 4.03 H new ATOM 0 HZ2 LYS A 19 15.129 -1.695 -8.278 1.00 4.03 H new ATOM 0 HZ3 LYS A 19 13.953 -0.767 -9.077 1.00 4.03 H new ATOM 242 N PHE A 20 10.970 1.104 -2.471 1.00 0.63 N ATOM 243 CA PHE A 20 9.820 1.692 -1.807 1.00 0.61 C ATOM 244 C PHE A 20 9.831 1.332 -0.315 1.00 0.62 C ATOM 245 O PHE A 20 10.882 1.385 0.322 1.00 0.95 O ATOM 246 CB PHE A 20 8.535 1.219 -2.499 1.00 0.62 C ATOM 247 CG PHE A 20 8.519 1.453 -3.995 1.00 0.75 C ATOM 248 CD1 PHE A 20 9.401 2.348 -4.584 1.00 1.08 C ATOM 249 CD2 PHE A 20 7.609 0.769 -4.787 1.00 0.96 C ATOM 250 CE1 PHE A 20 9.372 2.555 -5.952 1.00 1.26 C ATOM 251 CE2 PHE A 20 7.582 0.977 -6.154 1.00 1.17 C ATOM 252 CZ PHE A 20 8.463 1.870 -6.737 1.00 1.19 C ATOM 0 H PHE A 20 10.739 0.409 -3.181 1.00 0.63 H new ATOM 0 HA PHE A 20 9.864 2.779 -1.880 1.00 0.61 H new ATOM 0 HB2 PHE A 20 8.402 0.154 -2.307 1.00 0.62 H new ATOM 0 HB3 PHE A 20 7.684 1.733 -2.052 1.00 0.62 H new ATOM 0 HD1 PHE A 20 10.112 2.884 -3.973 1.00 1.08 H new ATOM 0 HD2 PHE A 20 6.919 0.072 -4.335 1.00 0.96 H new ATOM 0 HE1 PHE A 20 10.060 3.252 -6.407 1.00 1.26 H new ATOM 0 HE2 PHE A 20 6.872 0.442 -6.767 1.00 1.17 H new ATOM 0 HZ PHE A 20 8.441 2.032 -7.805 1.00 1.19 H new ATOM 262 N HIS A 21 8.674 0.969 0.241 1.00 0.53 N ATOM 263 CA HIS A 21 8.566 0.610 1.646 1.00 0.57 C ATOM 264 C HIS A 21 9.224 1.661 2.539 1.00 0.69 C ATOM 265 O HIS A 21 8.567 2.604 2.979 1.00 1.03 O ATOM 266 CB HIS A 21 9.188 -0.756 1.881 1.00 0.54 C ATOM 267 CG HIS A 21 8.427 -1.855 1.221 1.00 0.47 C ATOM 268 ND1 HIS A 21 8.163 -3.055 1.823 1.00 0.48 N ATOM 269 CD2 HIS A 21 7.856 -1.942 -0.004 1.00 0.44 C ATOM 270 CE1 HIS A 21 7.474 -3.837 1.029 1.00 0.45 C ATOM 271 NE2 HIS A 21 7.266 -3.188 -0.105 1.00 0.42 N ATOM 0 H HIS A 21 7.793 0.917 -0.271 1.00 0.53 H new ATOM 0 HA HIS A 21 7.509 0.569 1.909 1.00 0.57 H new ATOM 0 HB2 HIS A 21 10.212 -0.754 1.508 1.00 0.54 H new ATOM 0 HB3 HIS A 21 9.240 -0.948 2.953 1.00 0.54 H new ATOM 0 HD1 HIS A 21 8.463 -3.307 2.765 1.00 0.48 H new ATOM 0 HD2 HIS A 21 7.861 -1.176 -0.765 1.00 0.44 H new ATOM 0 HE1 HIS A 21 7.135 -4.836 1.260 1.00 0.45 H new ATOM 279 N ARG A 22 10.520 1.501 2.807 1.00 0.68 N ATOM 280 CA ARG A 22 11.247 2.444 3.648 1.00 0.80 C ATOM 281 C ARG A 22 11.172 3.846 3.058 1.00 0.81 C ATOM 282 O ARG A 22 11.135 4.836 3.788 1.00 0.92 O ATOM 283 CB ARG A 22 12.704 2.013 3.781 1.00 0.93 C ATOM 284 CG ARG A 22 13.450 2.864 4.804 1.00 1.64 C ATOM 285 CD ARG A 22 13.956 2.024 5.974 1.00 2.14 C ATOM 286 NE ARG A 22 15.058 2.702 6.646 1.00 2.73 N ATOM 287 CZ ARG A 22 16.230 2.106 6.843 1.00 3.33 C ATOM 288 NH1 ARG A 22 17.015 1.823 5.811 1.00 3.72 N ATOM 289 NH2 ARG A 22 16.618 1.791 8.071 1.00 3.95 N ATOM 0 H ARG A 22 11.084 0.728 2.454 1.00 0.68 H new ATOM 0 HA ARG A 22 10.788 2.454 4.637 1.00 0.80 H new ATOM 0 HB2 ARG A 22 12.748 0.965 4.077 1.00 0.93 H new ATOM 0 HB3 ARG A 22 13.197 2.092 2.812 1.00 0.93 H new ATOM 0 HG2 ARG A 22 14.292 3.360 4.321 1.00 1.64 H new ATOM 0 HG3 ARG A 22 12.790 3.647 5.177 1.00 1.64 H new ATOM 0 HD2 ARG A 22 13.145 1.846 6.680 1.00 2.14 H new ATOM 0 HD3 ARG A 22 14.285 1.049 5.615 1.00 2.14 H new ATOM 0 HE ARG A 22 14.926 3.659 6.974 1.00 2.73 H new ATOM 0 HH11 ARG A 22 16.720 2.063 4.865 1.00 3.72 H new ATOM 0 HH12 ARG A 22 17.914 1.366 5.964 1.00 3.72 H new ATOM 0 HH21 ARG A 22 16.017 2.006 8.867 1.00 3.95 H new ATOM 0 HH22 ARG A 22 17.517 1.334 8.220 1.00 3.95 H new ATOM 303 N HIS A 23 11.149 3.923 1.731 1.00 0.90 N ATOM 304 CA HIS A 23 11.076 5.204 1.039 1.00 0.98 C ATOM 305 C HIS A 23 9.672 5.785 1.144 1.00 0.96 C ATOM 306 O HIS A 23 9.499 6.978 1.391 1.00 1.12 O ATOM 307 CB HIS A 23 11.450 5.025 -0.428 1.00 1.02 C ATOM 308 CG HIS A 23 12.929 5.006 -0.658 1.00 1.30 C ATOM 309 ND1 HIS A 23 13.820 4.444 0.219 1.00 1.83 N ATOM 310 CD2 HIS A 23 13.694 5.480 -1.677 1.00 1.56 C ATOM 311 CE1 HIS A 23 15.051 4.562 -0.221 1.00 2.07 C ATOM 312 NE2 HIS A 23 15.014 5.193 -1.383 1.00 1.86 N ATOM 0 H HIS A 23 11.180 3.112 1.113 1.00 0.90 H new ATOM 0 HA HIS A 23 11.778 5.893 1.508 1.00 0.98 H new ATOM 0 HB2 HIS A 23 11.019 4.094 -0.796 1.00 1.02 H new ATOM 0 HB3 HIS A 23 11.008 5.833 -1.011 1.00 1.02 H new ATOM 0 HD2 HIS A 23 13.335 5.990 -2.559 1.00 1.56 H new ATOM 0 HE1 HIS A 23 15.940 4.206 0.279 1.00 2.07 H new ATOM 0 HE2 HIS A 23 15.820 5.427 -1.962 1.00 1.86 H new ATOM 320 N LEU A 24 8.671 4.932 0.954 1.00 0.86 N ATOM 321 CA LEU A 24 7.278 5.354 1.024 1.00 0.87 C ATOM 322 C LEU A 24 6.960 5.926 2.399 1.00 0.97 C ATOM 323 O LEU A 24 6.556 7.083 2.522 1.00 1.16 O ATOM 324 CB LEU A 24 6.359 4.170 0.732 1.00 0.73 C ATOM 325 CG LEU A 24 6.578 3.623 -0.675 1.00 0.76 C ATOM 326 CD1 LEU A 24 5.599 2.491 -0.971 1.00 0.72 C ATOM 327 CD2 LEU A 24 6.449 4.736 -1.712 1.00 1.25 C ATOM 0 H LEU A 24 8.800 3.941 0.750 1.00 0.86 H new ATOM 0 HA LEU A 24 7.114 6.130 0.277 1.00 0.87 H new ATOM 0 HB2 LEU A 24 6.539 3.381 1.462 1.00 0.73 H new ATOM 0 HB3 LEU A 24 5.320 4.479 0.845 1.00 0.73 H new ATOM 0 HG LEU A 24 7.590 3.221 -0.732 1.00 0.76 H new ATOM 0 HD11 LEU A 24 5.772 2.115 -1.979 1.00 0.72 H new ATOM 0 HD12 LEU A 24 5.747 1.685 -0.253 1.00 0.72 H new ATOM 0 HD13 LEU A 24 4.578 2.864 -0.893 1.00 0.72 H new ATOM 0 HD21 LEU A 24 6.609 4.325 -2.709 1.00 1.25 H new ATOM 0 HD22 LEU A 24 5.452 5.173 -1.655 1.00 1.25 H new ATOM 0 HD23 LEU A 24 7.194 5.506 -1.514 1.00 1.25 H new ATOM 339 N ILE A 25 7.137 5.108 3.431 1.00 0.92 N ATOM 340 CA ILE A 25 6.863 5.533 4.799 1.00 1.10 C ATOM 341 C ILE A 25 7.628 6.809 5.133 1.00 1.41 C ATOM 342 O ILE A 25 7.212 7.585 5.993 1.00 1.91 O ATOM 343 CB ILE A 25 7.226 4.414 5.777 1.00 0.94 C ATOM 344 CG1 ILE A 25 8.736 4.193 5.846 1.00 0.90 C ATOM 345 CG2 ILE A 25 6.527 3.115 5.398 1.00 1.06 C ATOM 346 CD1 ILE A 25 9.160 3.770 7.247 1.00 0.91 C ATOM 0 H ILE A 25 7.469 4.147 3.346 1.00 0.92 H new ATOM 0 HA ILE A 25 5.798 5.747 4.891 1.00 1.10 H new ATOM 0 HB ILE A 25 6.884 4.726 6.764 1.00 0.94 H new ATOM 0 HG12 ILE A 25 9.029 3.428 5.127 1.00 0.90 H new ATOM 0 HG13 ILE A 25 9.255 5.110 5.566 1.00 0.90 H new ATOM 0 HG21 ILE A 25 6.800 2.334 6.108 1.00 1.06 H new ATOM 0 HG22 ILE A 25 5.447 3.263 5.420 1.00 1.06 H new ATOM 0 HG23 ILE A 25 6.832 2.817 4.395 1.00 1.06 H new ATOM 0 HD11 ILE A 25 10.239 3.619 7.270 1.00 0.91 H new ATOM 0 HD12 ILE A 25 8.887 4.548 7.960 1.00 0.91 H new ATOM 0 HD13 ILE A 25 8.658 2.840 7.514 1.00 0.91 H new ATOM 358 N GLY A 26 8.748 7.020 4.447 1.00 1.49 N ATOM 359 CA GLY A 26 9.571 8.203 4.670 1.00 1.87 C ATOM 360 C GLY A 26 10.360 8.086 5.967 1.00 1.82 C ATOM 361 O GLY A 26 10.349 8.997 6.794 1.00 2.29 O ATOM 0 H GLY A 26 9.106 6.386 3.732 1.00 1.49 H new ATOM 0 HA2 GLY A 26 10.258 8.335 3.834 1.00 1.87 H new ATOM 0 HA3 GLY A 26 8.937 9.089 4.705 1.00 1.87 H new ATOM 365 N LYS A 27 11.043 6.956 6.138 1.00 1.86 N ATOM 366 CA LYS A 27 11.849 6.698 7.334 1.00 1.91 C ATOM 367 C LYS A 27 11.140 7.174 8.601 1.00 1.62 C ATOM 368 O LYS A 27 11.778 7.671 9.529 1.00 2.38 O ATOM 369 CB LYS A 27 13.211 7.384 7.209 1.00 2.21 C ATOM 370 CG LYS A 27 13.096 8.907 7.243 1.00 2.65 C ATOM 371 CD LYS A 27 12.928 9.491 5.844 1.00 3.30 C ATOM 372 CE LYS A 27 14.155 10.291 5.419 1.00 3.80 C ATOM 373 NZ LYS A 27 14.865 9.634 4.287 1.00 4.51 N ATOM 0 H LYS A 27 11.055 6.196 5.457 1.00 1.86 H new ATOM 0 HA LYS A 27 11.992 5.620 7.413 1.00 1.91 H new ATOM 0 HB2 LYS A 27 13.859 7.052 8.020 1.00 2.21 H new ATOM 0 HB3 LYS A 27 13.686 7.078 6.277 1.00 2.21 H new ATOM 0 HG2 LYS A 27 12.246 9.194 7.862 1.00 2.65 H new ATOM 0 HG3 LYS A 27 13.986 9.329 7.709 1.00 2.65 H new ATOM 0 HD2 LYS A 27 12.753 8.685 5.131 1.00 3.30 H new ATOM 0 HD3 LYS A 27 12.048 10.134 5.820 1.00 3.30 H new ATOM 0 HE2 LYS A 27 13.853 11.297 5.127 1.00 3.80 H new ATOM 0 HE3 LYS A 27 14.834 10.396 6.265 1.00 3.80 H new ATOM 0 HZ1 LYS A 27 15.695 10.202 4.021 1.00 4.51 H new ATOM 0 HZ2 LYS A 27 15.174 8.684 4.576 1.00 4.51 H new ATOM 0 HZ3 LYS A 27 14.223 9.557 3.473 1.00 4.51 H new ATOM 387 N SER A 28 9.821 7.020 8.633 1.00 1.28 N ATOM 388 CA SER A 28 9.032 7.435 9.787 1.00 1.60 C ATOM 389 C SER A 28 7.595 6.946 9.662 1.00 1.60 C ATOM 390 O SER A 28 7.012 6.452 10.627 1.00 2.28 O ATOM 391 CB SER A 28 9.052 8.954 9.912 1.00 1.99 C ATOM 392 OG SER A 28 8.603 9.554 8.705 1.00 2.57 O ATOM 0 H SER A 28 9.276 6.611 7.874 1.00 1.28 H new ATOM 0 HA SER A 28 9.472 6.993 10.681 1.00 1.60 H new ATOM 0 HB2 SER A 28 8.415 9.266 10.740 1.00 1.99 H new ATOM 0 HB3 SER A 28 10.062 9.294 10.141 1.00 1.99 H new ATOM 0 HG SER A 28 9.348 9.612 8.072 1.00 2.57 H new ATOM 398 N GLY A 29 7.028 7.086 8.469 1.00 1.21 N ATOM 399 CA GLY A 29 5.656 6.660 8.221 1.00 1.23 C ATOM 400 C GLY A 29 4.749 7.857 7.978 1.00 1.36 C ATOM 401 O GLY A 29 4.090 8.349 8.895 1.00 2.05 O ATOM 0 H GLY A 29 7.497 7.491 7.659 1.00 1.21 H new ATOM 0 HA2 GLY A 29 5.628 5.997 7.357 1.00 1.23 H new ATOM 0 HA3 GLY A 29 5.289 6.088 9.074 1.00 1.23 H new ATOM 405 N ALA A 30 4.722 8.323 6.733 1.00 1.00 N ATOM 406 CA ALA A 30 3.898 9.464 6.357 1.00 1.10 C ATOM 407 C ALA A 30 2.987 9.105 5.190 1.00 1.06 C ATOM 408 O ALA A 30 1.814 9.478 5.169 1.00 1.43 O ATOM 409 CB ALA A 30 4.788 10.643 5.976 1.00 1.27 C ATOM 0 H ALA A 30 5.264 7.925 5.966 1.00 1.00 H new ATOM 0 HA ALA A 30 3.278 9.741 7.210 1.00 1.10 H new ATOM 0 HB1 ALA A 30 4.166 11.493 5.696 1.00 1.27 H new ATOM 0 HB2 ALA A 30 5.414 10.916 6.826 1.00 1.27 H new ATOM 0 HB3 ALA A 30 5.421 10.364 5.134 1.00 1.27 H new ATOM 415 N ASN A 31 3.533 8.380 4.219 1.00 0.73 N ATOM 416 CA ASN A 31 2.769 7.972 3.046 1.00 0.69 C ATOM 417 C ASN A 31 1.610 7.070 3.450 1.00 0.60 C ATOM 418 O ASN A 31 0.461 7.317 3.083 1.00 0.58 O ATOM 419 CB ASN A 31 3.676 7.239 2.061 1.00 0.71 C ATOM 420 CG ASN A 31 4.499 8.238 1.258 1.00 1.24 C ATOM 421 OD1 ASN A 31 4.519 9.430 1.564 1.00 1.91 O ATOM 422 ND2 ASN A 31 5.179 7.751 0.227 1.00 1.42 N ATOM 0 H ASN A 31 4.502 8.063 4.222 1.00 0.73 H new ATOM 0 HA ASN A 31 2.366 8.865 2.568 1.00 0.69 H new ATOM 0 HB2 ASN A 31 4.338 6.562 2.600 1.00 0.71 H new ATOM 0 HB3 ASN A 31 3.075 6.628 1.388 1.00 0.71 H new ATOM 0 HD21 ASN A 31 5.748 8.372 -0.348 1.00 1.42 H new ATOM 0 HD22 ASN A 31 5.133 6.755 0.010 1.00 1.42 H new ATOM 429 N ILE A 32 1.916 6.021 4.209 1.00 0.58 N ATOM 430 CA ILE A 32 0.899 5.080 4.663 1.00 0.56 C ATOM 431 C ILE A 32 -0.254 5.821 5.327 1.00 0.52 C ATOM 432 O ILE A 32 -1.394 5.357 5.309 1.00 0.51 O ATOM 433 CB ILE A 32 1.511 4.081 5.641 1.00 0.63 C ATOM 434 CG1 ILE A 32 2.276 4.812 6.742 1.00 0.70 C ATOM 435 CG2 ILE A 32 2.424 3.097 4.914 1.00 0.69 C ATOM 436 CD1 ILE A 32 2.185 4.073 8.074 1.00 1.07 C ATOM 0 H ILE A 32 2.862 5.802 4.522 1.00 0.58 H new ATOM 0 HA ILE A 32 0.513 4.541 3.798 1.00 0.56 H new ATOM 0 HB ILE A 32 0.701 3.514 6.100 1.00 0.63 H new ATOM 0 HG12 ILE A 32 3.322 4.915 6.453 1.00 0.70 H new ATOM 0 HG13 ILE A 32 1.877 5.820 6.856 1.00 0.70 H new ATOM 0 HG21 ILE A 32 2.848 2.395 5.632 1.00 0.69 H new ATOM 0 HG22 ILE A 32 1.848 2.549 4.168 1.00 0.69 H new ATOM 0 HG23 ILE A 32 3.229 3.643 4.422 1.00 0.69 H new ATOM 0 HD11 ILE A 32 2.741 4.622 8.834 1.00 1.07 H new ATOM 0 HD12 ILE A 32 1.141 3.994 8.375 1.00 1.07 H new ATOM 0 HD13 ILE A 32 2.608 3.074 7.966 1.00 1.07 H new ATOM 448 N ASN A 33 0.048 6.977 5.909 1.00 0.56 N ATOM 449 CA ASN A 33 -0.968 7.784 6.573 1.00 0.59 C ATOM 450 C ASN A 33 -1.715 8.633 5.554 1.00 0.54 C ATOM 451 O ASN A 33 -2.935 8.783 5.628 1.00 0.55 O ATOM 452 CB ASN A 33 -0.323 8.679 7.626 1.00 0.71 C ATOM 453 CG ASN A 33 -0.952 8.426 8.991 1.00 0.97 C ATOM 454 OD1 ASN A 33 -1.292 9.362 9.713 1.00 1.51 O ATOM 455 ND2 ASN A 33 -1.109 7.155 9.343 1.00 1.62 N ATOM 0 H ASN A 33 0.987 7.375 5.934 1.00 0.56 H new ATOM 0 HA ASN A 33 -1.678 7.118 7.063 1.00 0.59 H new ATOM 0 HB2 ASN A 33 0.749 8.486 7.670 1.00 0.71 H new ATOM 0 HB3 ASN A 33 -0.447 9.726 7.349 1.00 0.71 H new ATOM 0 HD21 ASN A 33 -1.526 6.923 10.244 1.00 1.62 H new ATOM 0 HD22 ASN A 33 -0.812 6.411 8.712 1.00 1.62 H new ATOM 462 N ARG A 34 -0.975 9.184 4.596 1.00 0.55 N ATOM 463 CA ARG A 34 -1.567 10.013 3.555 1.00 0.56 C ATOM 464 C ARG A 34 -2.600 9.214 2.771 1.00 0.48 C ATOM 465 O ARG A 34 -3.711 9.685 2.531 1.00 0.48 O ATOM 466 CB ARG A 34 -0.481 10.527 2.614 1.00 0.65 C ATOM 467 CG ARG A 34 -0.409 12.052 2.620 1.00 0.89 C ATOM 468 CD ARG A 34 0.804 12.554 3.398 1.00 1.22 C ATOM 469 NE ARG A 34 0.393 13.511 4.419 1.00 1.69 N ATOM 470 CZ ARG A 34 0.915 14.731 4.484 1.00 2.27 C ATOM 471 NH1 ARG A 34 2.076 14.926 5.095 1.00 2.90 N ATOM 472 NH2 ARG A 34 0.277 15.756 3.938 1.00 2.78 N ATOM 0 H ARG A 34 0.036 9.070 4.521 1.00 0.55 H new ATOM 0 HA ARG A 34 -2.062 10.864 4.023 1.00 0.56 H new ATOM 0 HB2 ARG A 34 0.484 10.115 2.911 1.00 0.65 H new ATOM 0 HB3 ARG A 34 -0.679 10.175 1.602 1.00 0.65 H new ATOM 0 HG2 ARG A 34 -0.361 12.419 1.595 1.00 0.89 H new ATOM 0 HG3 ARG A 34 -1.319 12.458 3.062 1.00 0.89 H new ATOM 0 HD2 ARG A 34 1.318 11.714 3.864 1.00 1.22 H new ATOM 0 HD3 ARG A 34 1.513 13.023 2.716 1.00 1.22 H new ATOM 0 HE ARG A 34 -0.314 13.236 5.101 1.00 1.69 H new ATOM 0 HH11 ARG A 34 2.569 14.139 5.516 1.00 2.90 H new ATOM 0 HH12 ARG A 34 2.475 15.863 5.144 1.00 2.90 H new ATOM 0 HH21 ARG A 34 -0.616 15.609 3.467 1.00 2.78 H new ATOM 0 HH22 ARG A 34 0.679 16.692 3.989 1.00 2.78 H new ATOM 486 N ILE A 35 -2.229 7.998 2.381 1.00 0.45 N ATOM 487 CA ILE A 35 -3.126 7.127 1.629 1.00 0.40 C ATOM 488 C ILE A 35 -4.238 6.613 2.535 1.00 0.34 C ATOM 489 O ILE A 35 -5.408 6.947 2.351 1.00 0.34 O ATOM 490 CB ILE A 35 -2.346 5.951 1.047 1.00 0.41 C ATOM 491 CG1 ILE A 35 -1.111 6.444 0.296 1.00 0.54 C ATOM 492 CG2 ILE A 35 -3.230 5.113 0.131 1.00 0.40 C ATOM 493 CD1 ILE A 35 -1.481 7.441 -0.799 1.00 1.29 C ATOM 0 H ILE A 35 -1.313 7.593 2.574 1.00 0.45 H new ATOM 0 HA ILE A 35 -3.569 7.699 0.813 1.00 0.40 H new ATOM 0 HB ILE A 35 -2.018 5.320 1.873 1.00 0.41 H new ATOM 0 HG12 ILE A 35 -0.421 6.912 0.997 1.00 0.54 H new ATOM 0 HG13 ILE A 35 -0.589 5.595 -0.145 1.00 0.54 H new ATOM 0 HG21 ILE A 35 -2.652 4.281 -0.271 1.00 0.40 H new ATOM 0 HG22 ILE A 35 -4.077 4.726 0.697 1.00 0.40 H new ATOM 0 HG23 ILE A 35 -3.594 5.732 -0.689 1.00 0.40 H new ATOM 0 HD11 ILE A 35 -0.577 7.770 -1.312 1.00 1.29 H new ATOM 0 HD12 ILE A 35 -2.151 6.964 -1.514 1.00 1.29 H new ATOM 0 HD13 ILE A 35 -1.979 8.302 -0.354 1.00 1.29 H new ATOM 505 N LYS A 36 -3.860 5.799 3.520 1.00 0.35 N ATOM 506 CA LYS A 36 -4.811 5.228 4.474 1.00 0.36 C ATOM 507 C LYS A 36 -5.857 6.259 4.899 1.00 0.39 C ATOM 508 O LYS A 36 -6.998 5.908 5.206 1.00 0.51 O ATOM 509 CB LYS A 36 -4.057 4.720 5.702 1.00 0.44 C ATOM 510 CG LYS A 36 -5.006 4.211 6.785 1.00 1.09 C ATOM 511 CD LYS A 36 -4.767 4.915 8.118 1.00 1.41 C ATOM 512 CE LYS A 36 -5.240 4.064 9.293 1.00 2.17 C ATOM 513 NZ LYS A 36 -4.457 2.800 9.397 1.00 2.76 N ATOM 0 H LYS A 36 -2.892 5.518 3.679 1.00 0.35 H new ATOM 0 HA LYS A 36 -5.330 4.401 3.989 1.00 0.36 H new ATOM 0 HB2 LYS A 36 -3.381 3.918 5.406 1.00 0.44 H new ATOM 0 HB3 LYS A 36 -3.441 5.523 6.107 1.00 0.44 H new ATOM 0 HG2 LYS A 36 -6.037 4.369 6.469 1.00 1.09 H new ATOM 0 HG3 LYS A 36 -4.872 3.137 6.911 1.00 1.09 H new ATOM 0 HD2 LYS A 36 -3.705 5.133 8.230 1.00 1.41 H new ATOM 0 HD3 LYS A 36 -5.291 5.871 8.125 1.00 1.41 H new ATOM 0 HE2 LYS A 36 -5.142 4.632 10.218 1.00 2.17 H new ATOM 0 HE3 LYS A 36 -6.298 3.830 9.173 1.00 2.17 H new ATOM 0 HZ1 LYS A 36 -4.494 2.448 10.375 1.00 2.76 H new ATOM 0 HZ2 LYS A 36 -4.862 2.087 8.757 1.00 2.76 H new ATOM 0 HZ3 LYS A 36 -3.468 2.981 9.131 1.00 2.76 H new ATOM 527 N ASP A 37 -5.461 7.528 4.921 1.00 0.40 N ATOM 528 CA ASP A 37 -6.364 8.604 5.315 1.00 0.45 C ATOM 529 C ASP A 37 -7.037 9.223 4.095 1.00 0.44 C ATOM 530 O ASP A 37 -8.179 9.674 4.169 1.00 0.60 O ATOM 531 CB ASP A 37 -5.592 9.677 6.078 1.00 0.51 C ATOM 532 CG ASP A 37 -6.552 10.706 6.661 1.00 0.82 C ATOM 533 OD1 ASP A 37 -7.155 11.470 5.878 1.00 1.37 O ATOM 534 OD2 ASP A 37 -6.699 10.747 7.901 1.00 1.56 O ATOM 0 H ASP A 37 -4.521 7.836 4.671 1.00 0.40 H new ATOM 0 HA ASP A 37 -7.136 8.184 5.960 1.00 0.45 H new ATOM 0 HB2 ASP A 37 -5.011 9.217 6.878 1.00 0.51 H new ATOM 0 HB3 ASP A 37 -4.883 10.168 5.411 1.00 0.51 H new ATOM 539 N GLN A 38 -6.324 9.246 2.975 1.00 0.41 N ATOM 540 CA GLN A 38 -6.855 9.815 1.741 1.00 0.46 C ATOM 541 C GLN A 38 -7.886 8.886 1.114 1.00 0.42 C ATOM 542 O GLN A 38 -8.862 9.342 0.518 1.00 0.68 O ATOM 543 CB GLN A 38 -5.723 10.074 0.751 1.00 0.54 C ATOM 544 CG GLN A 38 -6.248 10.641 -0.563 1.00 0.65 C ATOM 545 CD GLN A 38 -6.745 12.067 -0.362 1.00 1.05 C ATOM 546 OE1 GLN A 38 -5.959 12.979 -0.108 1.00 1.65 O ATOM 547 NE2 GLN A 38 -8.054 12.260 -0.474 1.00 1.66 N ATOM 0 H GLN A 38 -5.376 8.877 2.895 1.00 0.41 H new ATOM 0 HA GLN A 38 -7.342 10.759 1.985 1.00 0.46 H new ATOM 0 HB2 GLN A 38 -5.008 10.770 1.189 1.00 0.54 H new ATOM 0 HB3 GLN A 38 -5.187 9.145 0.559 1.00 0.54 H new ATOM 0 HG2 GLN A 38 -5.459 10.626 -1.315 1.00 0.65 H new ATOM 0 HG3 GLN A 38 -7.058 10.016 -0.939 1.00 0.65 H new ATOM 0 HE21 GLN A 38 -8.669 11.474 -0.686 1.00 1.66 H new ATOM 0 HE22 GLN A 38 -8.444 13.194 -0.348 1.00 1.66 H new ATOM 556 N TYR A 39 -7.667 7.583 1.247 1.00 0.34 N ATOM 557 CA TYR A 39 -8.582 6.595 0.686 1.00 0.34 C ATOM 558 C TYR A 39 -9.209 5.732 1.777 1.00 0.30 C ATOM 559 O TYR A 39 -9.805 4.694 1.487 1.00 0.32 O ATOM 560 CB TYR A 39 -7.842 5.709 -0.311 1.00 0.39 C ATOM 561 CG TYR A 39 -7.405 6.453 -1.548 1.00 0.46 C ATOM 562 CD1 TYR A 39 -8.309 6.703 -2.566 1.00 0.64 C ATOM 563 CD2 TYR A 39 -6.097 6.886 -1.672 1.00 0.53 C ATOM 564 CE1 TYR A 39 -7.907 7.385 -3.702 1.00 0.73 C ATOM 565 CE2 TYR A 39 -5.694 7.569 -2.807 1.00 0.62 C ATOM 566 CZ TYR A 39 -6.601 7.815 -3.816 1.00 0.66 C ATOM 567 OH TYR A 39 -6.201 8.492 -4.945 1.00 0.77 O ATOM 0 H TYR A 39 -6.865 7.186 1.737 1.00 0.34 H new ATOM 0 HA TYR A 39 -9.383 7.131 0.177 1.00 0.34 H new ATOM 0 HB2 TYR A 39 -6.967 5.277 0.175 1.00 0.39 H new ATOM 0 HB3 TYR A 39 -8.487 4.880 -0.601 1.00 0.39 H new ATOM 0 HD1 TYR A 39 -9.331 6.365 -2.474 1.00 0.64 H new ATOM 0 HD2 TYR A 39 -5.388 6.691 -0.881 1.00 0.53 H new ATOM 0 HE1 TYR A 39 -8.613 7.580 -4.496 1.00 0.73 H new ATOM 0 HE2 TYR A 39 -4.673 7.908 -2.902 1.00 0.62 H new ATOM 0 HH TYR A 39 -5.233 8.390 -5.062 1.00 0.77 H new ATOM 577 N LYS A 40 -9.081 6.157 3.036 1.00 0.28 N ATOM 578 CA LYS A 40 -9.646 5.414 4.164 1.00 0.31 C ATOM 579 C LYS A 40 -9.390 3.917 4.016 1.00 0.29 C ATOM 580 O LYS A 40 -10.270 3.097 4.276 1.00 0.39 O ATOM 581 CB LYS A 40 -11.146 5.675 4.257 1.00 0.38 C ATOM 582 CG LYS A 40 -11.442 7.099 4.718 1.00 0.86 C ATOM 583 CD LYS A 40 -12.807 7.579 4.230 1.00 1.29 C ATOM 584 CE LYS A 40 -12.705 8.916 3.502 1.00 1.88 C ATOM 585 NZ LYS A 40 -13.992 9.271 2.840 1.00 2.56 N ATOM 0 H LYS A 40 -8.591 7.012 3.300 1.00 0.28 H new ATOM 0 HA LYS A 40 -9.159 5.757 5.077 1.00 0.31 H new ATOM 0 HB2 LYS A 40 -11.606 5.504 3.284 1.00 0.38 H new ATOM 0 HB3 LYS A 40 -11.597 4.966 4.952 1.00 0.38 H new ATOM 0 HG2 LYS A 40 -11.409 7.143 5.807 1.00 0.86 H new ATOM 0 HG3 LYS A 40 -10.667 7.770 4.348 1.00 0.86 H new ATOM 0 HD2 LYS A 40 -13.239 6.833 3.563 1.00 1.29 H new ATOM 0 HD3 LYS A 40 -13.484 7.677 5.079 1.00 1.29 H new ATOM 0 HE2 LYS A 40 -12.430 9.698 4.210 1.00 1.88 H new ATOM 0 HE3 LYS A 40 -11.911 8.867 2.756 1.00 1.88 H new ATOM 0 HZ1 LYS A 40 -13.892 10.185 2.353 1.00 2.56 H new ATOM 0 HZ2 LYS A 40 -14.241 8.536 2.148 1.00 2.56 H new ATOM 0 HZ3 LYS A 40 -14.743 9.341 3.556 1.00 2.56 H new ATOM 599 N VAL A 41 -8.180 3.571 3.591 1.00 0.23 N ATOM 600 CA VAL A 41 -7.802 2.176 3.398 1.00 0.23 C ATOM 601 C VAL A 41 -6.788 1.745 4.448 1.00 0.27 C ATOM 602 O VAL A 41 -6.467 2.502 5.361 1.00 0.33 O ATOM 603 CB VAL A 41 -7.218 1.993 2.002 1.00 0.23 C ATOM 604 CG1 VAL A 41 -8.323 1.992 0.953 1.00 0.25 C ATOM 605 CG2 VAL A 41 -6.193 3.085 1.701 1.00 0.23 C ATOM 0 H VAL A 41 -7.442 4.240 3.373 1.00 0.23 H new ATOM 0 HA VAL A 41 -8.691 1.554 3.503 1.00 0.23 H new ATOM 0 HB VAL A 41 -6.712 1.028 1.967 1.00 0.23 H new ATOM 0 HG11 VAL A 41 -7.885 1.860 -0.036 1.00 0.25 H new ATOM 0 HG12 VAL A 41 -9.016 1.175 1.155 1.00 0.25 H new ATOM 0 HG13 VAL A 41 -8.860 2.940 0.989 1.00 0.25 H new ATOM 0 HG21 VAL A 41 -5.787 2.937 0.700 1.00 0.23 H new ATOM 0 HG22 VAL A 41 -6.674 4.061 1.757 1.00 0.23 H new ATOM 0 HG23 VAL A 41 -5.385 3.037 2.431 1.00 0.23 H new ATOM 615 N SER A 42 -6.284 0.522 4.313 1.00 0.29 N ATOM 616 CA SER A 42 -5.303 -0.012 5.250 1.00 0.34 C ATOM 617 C SER A 42 -4.061 -0.483 4.503 1.00 0.30 C ATOM 618 O SER A 42 -3.943 -1.657 4.153 1.00 0.36 O ATOM 619 CB SER A 42 -5.907 -1.170 6.037 1.00 0.43 C ATOM 620 OG SER A 42 -5.641 -1.017 7.423 1.00 0.93 O ATOM 0 H SER A 42 -6.540 -0.119 3.562 1.00 0.29 H new ATOM 0 HA SER A 42 -5.017 0.778 5.944 1.00 0.34 H new ATOM 0 HB2 SER A 42 -6.983 -1.210 5.869 1.00 0.43 H new ATOM 0 HB3 SER A 42 -5.493 -2.114 5.683 1.00 0.43 H new ATOM 0 HG SER A 42 -6.036 -1.766 7.916 1.00 0.93 H new ATOM 626 N VAL A 43 -3.138 0.442 4.263 1.00 0.33 N ATOM 627 CA VAL A 43 -1.901 0.129 3.558 1.00 0.34 C ATOM 628 C VAL A 43 -0.814 -0.274 4.548 1.00 0.35 C ATOM 629 O VAL A 43 -0.596 0.402 5.553 1.00 0.55 O ATOM 630 CB VAL A 43 -1.447 1.339 2.741 1.00 0.49 C ATOM 631 CG1 VAL A 43 -1.368 2.584 3.619 1.00 1.25 C ATOM 632 CG2 VAL A 43 -0.105 1.070 2.065 1.00 0.54 C ATOM 0 H VAL A 43 -3.224 1.418 4.548 1.00 0.33 H new ATOM 0 HA VAL A 43 -2.083 -0.707 2.883 1.00 0.34 H new ATOM 0 HB VAL A 43 -2.188 1.516 1.961 1.00 0.49 H new ATOM 0 HG11 VAL A 43 -1.043 3.433 3.018 1.00 1.25 H new ATOM 0 HG12 VAL A 43 -2.350 2.794 4.042 1.00 1.25 H new ATOM 0 HG13 VAL A 43 -0.654 2.416 4.425 1.00 1.25 H new ATOM 0 HG21 VAL A 43 0.195 1.946 1.490 1.00 0.54 H new ATOM 0 HG22 VAL A 43 0.648 0.858 2.824 1.00 0.54 H new ATOM 0 HG23 VAL A 43 -0.199 0.213 1.398 1.00 0.54 H new ATOM 642 N ARG A 44 -0.138 -1.382 4.262 1.00 0.31 N ATOM 643 CA ARG A 44 0.922 -1.876 5.132 1.00 0.42 C ATOM 644 C ARG A 44 2.205 -2.119 4.343 1.00 0.40 C ATOM 645 O ARG A 44 2.192 -2.779 3.305 1.00 0.41 O ATOM 646 CB ARG A 44 0.478 -3.170 5.808 1.00 0.52 C ATOM 647 CG ARG A 44 -0.938 -3.053 6.365 1.00 0.78 C ATOM 648 CD ARG A 44 -1.547 -4.424 6.648 1.00 1.05 C ATOM 649 NE ARG A 44 -1.494 -4.718 8.075 1.00 1.31 N ATOM 650 CZ ARG A 44 -2.598 -4.865 8.801 1.00 1.74 C ATOM 651 NH1 ARG A 44 -3.254 -6.017 8.786 1.00 2.28 N ATOM 652 NH2 ARG A 44 -3.045 -3.860 9.540 1.00 2.27 N ATOM 0 H ARG A 44 -0.306 -1.954 3.435 1.00 0.31 H new ATOM 0 HA ARG A 44 1.123 -1.120 5.891 1.00 0.42 H new ATOM 0 HB2 ARG A 44 0.521 -3.990 5.091 1.00 0.52 H new ATOM 0 HB3 ARG A 44 1.168 -3.416 6.615 1.00 0.52 H new ATOM 0 HG2 ARG A 44 -0.921 -2.466 7.283 1.00 0.78 H new ATOM 0 HG3 ARG A 44 -1.566 -2.515 5.654 1.00 0.78 H new ATOM 0 HD2 ARG A 44 -2.581 -4.448 6.303 1.00 1.05 H new ATOM 0 HD3 ARG A 44 -1.008 -5.191 6.092 1.00 1.05 H new ATOM 0 HE ARG A 44 -0.585 -4.813 8.529 1.00 1.31 H new ATOM 0 HH11 ARG A 44 -2.912 -6.791 8.217 1.00 2.28 H new ATOM 0 HH12 ARG A 44 -4.101 -6.129 9.343 1.00 2.28 H new ATOM 0 HH21 ARG A 44 -2.542 -2.973 9.552 1.00 2.27 H new ATOM 0 HH22 ARG A 44 -3.892 -3.974 10.097 1.00 2.27 H new ATOM 666 N ILE A 45 3.312 -1.584 4.850 1.00 0.46 N ATOM 667 CA ILE A 45 4.612 -1.740 4.205 1.00 0.47 C ATOM 668 C ILE A 45 5.435 -2.802 4.944 1.00 0.53 C ATOM 669 O ILE A 45 6.000 -2.532 6.004 1.00 0.64 O ATOM 670 CB ILE A 45 5.337 -0.384 4.182 1.00 0.56 C ATOM 671 CG1 ILE A 45 4.744 0.509 3.093 1.00 0.59 C ATOM 672 CG2 ILE A 45 6.848 -0.534 3.974 1.00 0.60 C ATOM 673 CD1 ILE A 45 5.126 0.024 1.695 1.00 0.56 C ATOM 0 H ILE A 45 3.334 -1.036 5.710 1.00 0.46 H new ATOM 0 HA ILE A 45 4.479 -2.075 3.176 1.00 0.47 H new ATOM 0 HB ILE A 45 5.189 0.079 5.158 1.00 0.56 H new ATOM 0 HG12 ILE A 45 3.658 0.527 3.188 1.00 0.59 H new ATOM 0 HG13 ILE A 45 5.093 1.532 3.231 1.00 0.59 H new ATOM 0 HG21 ILE A 45 7.314 0.451 3.965 1.00 0.60 H new ATOM 0 HG22 ILE A 45 7.270 -1.128 4.785 1.00 0.60 H new ATOM 0 HG23 ILE A 45 7.037 -1.033 3.023 1.00 0.60 H new ATOM 0 HD11 ILE A 45 4.686 0.684 0.948 1.00 0.56 H new ATOM 0 HD12 ILE A 45 6.211 0.031 1.591 1.00 0.56 H new ATOM 0 HD13 ILE A 45 4.754 -0.990 1.547 1.00 0.56 H new ATOM 685 N PRO A 46 5.513 -4.026 4.389 1.00 0.48 N ATOM 686 CA PRO A 46 6.270 -5.121 5.005 1.00 0.58 C ATOM 687 C PRO A 46 7.771 -5.001 4.743 1.00 0.61 C ATOM 688 O PRO A 46 8.224 -5.165 3.610 1.00 0.56 O ATOM 689 CB PRO A 46 5.696 -6.368 4.341 1.00 0.57 C ATOM 690 CG PRO A 46 5.154 -5.913 3.025 1.00 0.47 C ATOM 691 CD PRO A 46 4.871 -4.435 3.130 1.00 0.41 C ATOM 0 HA PRO A 46 6.175 -5.129 6.091 1.00 0.58 H new ATOM 0 HB2 PRO A 46 6.465 -7.129 4.206 1.00 0.57 H new ATOM 0 HB3 PRO A 46 4.912 -6.813 4.954 1.00 0.57 H new ATOM 0 HG2 PRO A 46 5.871 -6.109 2.228 1.00 0.47 H new ATOM 0 HG3 PRO A 46 4.244 -6.460 2.777 1.00 0.47 H new ATOM 0 HD2 PRO A 46 5.282 -3.891 2.280 1.00 0.41 H new ATOM 0 HD3 PRO A 46 3.799 -4.236 3.148 1.00 0.41 H new ATOM 699 N PRO A 47 8.564 -4.711 5.789 1.00 0.74 N ATOM 700 CA PRO A 47 10.017 -4.571 5.654 1.00 0.81 C ATOM 701 C PRO A 47 10.717 -5.922 5.545 1.00 0.87 C ATOM 702 O PRO A 47 11.488 -6.159 4.614 1.00 1.53 O ATOM 703 CB PRO A 47 10.428 -3.837 6.927 1.00 0.98 C ATOM 704 CG PRO A 47 9.369 -4.155 7.932 1.00 1.03 C ATOM 705 CD PRO A 47 8.110 -4.496 7.175 1.00 0.85 C ATOM 0 HA PRO A 47 10.297 -4.039 4.745 1.00 0.81 H new ATOM 0 HB2 PRO A 47 11.408 -4.168 7.272 1.00 0.98 H new ATOM 0 HB3 PRO A 47 10.496 -2.763 6.756 1.00 0.98 H new ATOM 0 HG2 PRO A 47 9.676 -4.991 8.561 1.00 1.03 H new ATOM 0 HG3 PRO A 47 9.200 -3.305 8.593 1.00 1.03 H new ATOM 0 HD2 PRO A 47 7.632 -5.388 7.580 1.00 0.85 H new ATOM 0 HD3 PRO A 47 7.380 -3.689 7.234 1.00 0.85 H new ATOM 713 N ASP A 48 10.446 -6.803 6.502 1.00 1.32 N ATOM 714 CA ASP A 48 11.049 -8.131 6.518 1.00 1.46 C ATOM 715 C ASP A 48 10.641 -8.923 5.283 1.00 1.48 C ATOM 716 O ASP A 48 9.458 -9.185 5.064 1.00 2.18 O ATOM 717 CB ASP A 48 10.626 -8.880 7.778 1.00 2.16 C ATOM 718 CG ASP A 48 9.272 -8.379 8.263 1.00 2.56 C ATOM 719 OD1 ASP A 48 9.224 -7.292 8.877 1.00 3.03 O ATOM 720 OD2 ASP A 48 8.261 -9.075 8.031 1.00 3.01 O ATOM 0 H ASP A 48 9.811 -6.621 7.279 1.00 1.32 H new ATOM 0 HA ASP A 48 12.133 -8.017 6.514 1.00 1.46 H new ATOM 0 HB2 ASP A 48 10.573 -9.949 7.573 1.00 2.16 H new ATOM 0 HB3 ASP A 48 11.373 -8.742 8.559 1.00 2.16 H new ATOM 725 N SER A 49 11.628 -9.304 4.478 1.00 1.59 N ATOM 726 CA SER A 49 11.375 -10.071 3.264 1.00 2.11 C ATOM 727 C SER A 49 12.678 -10.629 2.706 1.00 1.90 C ATOM 728 O SER A 49 13.611 -9.879 2.416 1.00 2.33 O ATOM 729 CB SER A 49 10.699 -9.189 2.219 1.00 3.03 C ATOM 730 OG SER A 49 10.273 -7.966 2.799 1.00 3.81 O ATOM 0 H SER A 49 12.612 -9.093 4.645 1.00 1.59 H new ATOM 0 HA SER A 49 10.715 -10.903 3.511 1.00 2.11 H new ATOM 0 HB2 SER A 49 11.391 -8.988 1.401 1.00 3.03 H new ATOM 0 HB3 SER A 49 9.844 -9.712 1.791 1.00 3.03 H new ATOM 0 HG SER A 49 9.843 -7.412 2.115 1.00 3.81 H new ATOM 736 N GLU A 50 12.737 -11.948 2.561 1.00 1.92 N ATOM 737 CA GLU A 50 13.928 -12.611 2.039 1.00 2.27 C ATOM 738 C GLU A 50 14.314 -12.030 0.685 1.00 2.09 C ATOM 739 O GLU A 50 15.422 -11.523 0.509 1.00 2.74 O ATOM 740 CB GLU A 50 13.673 -14.109 1.903 1.00 3.06 C ATOM 741 CG GLU A 50 14.408 -14.906 2.978 1.00 3.83 C ATOM 742 CD GLU A 50 14.429 -16.385 2.615 1.00 4.43 C ATOM 743 OE1 GLU A 50 13.420 -16.878 2.069 1.00 4.97 O ATOM 744 OE2 GLU A 50 15.454 -17.048 2.878 1.00 4.75 O ATOM 0 H GLU A 50 11.973 -12.581 2.798 1.00 1.92 H new ATOM 0 HA GLU A 50 14.749 -12.447 2.737 1.00 2.27 H new ATOM 0 HB2 GLU A 50 12.603 -14.304 1.973 1.00 3.06 H new ATOM 0 HB3 GLU A 50 13.994 -14.445 0.917 1.00 3.06 H new ATOM 0 HG2 GLU A 50 15.428 -14.535 3.082 1.00 3.83 H new ATOM 0 HG3 GLU A 50 13.918 -14.768 3.942 1.00 3.83 H new ATOM 751 N LYS A 51 13.393 -12.108 -0.270 1.00 1.76 N ATOM 752 CA LYS A 51 13.636 -11.592 -1.613 1.00 1.77 C ATOM 753 C LYS A 51 12.408 -10.853 -2.129 1.00 1.55 C ATOM 754 O LYS A 51 11.276 -11.207 -1.799 1.00 2.20 O ATOM 755 CB LYS A 51 13.983 -12.740 -2.555 1.00 2.14 C ATOM 756 CG LYS A 51 12.815 -13.709 -2.709 1.00 2.60 C ATOM 757 CD LYS A 51 13.141 -14.831 -3.691 1.00 3.36 C ATOM 758 CE LYS A 51 13.565 -16.104 -2.965 1.00 4.12 C ATOM 759 NZ LYS A 51 12.549 -16.514 -1.954 1.00 4.81 N ATOM 0 H LYS A 51 12.471 -12.524 -0.139 1.00 1.76 H new ATOM 0 HA LYS A 51 14.473 -10.894 -1.573 1.00 1.77 H new ATOM 0 HB2 LYS A 51 14.257 -12.341 -3.531 1.00 2.14 H new ATOM 0 HB3 LYS A 51 14.853 -13.275 -2.174 1.00 2.14 H new ATOM 0 HG2 LYS A 51 12.565 -14.136 -1.738 1.00 2.60 H new ATOM 0 HG3 LYS A 51 11.935 -13.167 -3.054 1.00 2.60 H new ATOM 0 HD2 LYS A 51 12.269 -15.038 -4.311 1.00 3.36 H new ATOM 0 HD3 LYS A 51 13.939 -14.510 -4.360 1.00 3.36 H new ATOM 0 HE2 LYS A 51 13.707 -16.907 -3.688 1.00 4.12 H new ATOM 0 HE3 LYS A 51 14.525 -15.943 -2.475 1.00 4.12 H new ATOM 0 HZ1 LYS A 51 12.550 -17.550 -1.861 1.00 4.81 H new ATOM 0 HZ2 LYS A 51 12.780 -16.084 -1.036 1.00 4.81 H new ATOM 0 HZ3 LYS A 51 11.607 -16.195 -2.259 1.00 4.81 H new ATOM 773 N SER A 52 12.639 -9.828 -2.942 1.00 1.19 N ATOM 774 CA SER A 52 11.554 -9.038 -3.508 1.00 1.04 C ATOM 775 C SER A 52 10.667 -8.478 -2.404 1.00 0.92 C ATOM 776 O SER A 52 10.746 -8.905 -1.253 1.00 1.19 O ATOM 777 CB SER A 52 10.728 -9.900 -4.452 1.00 1.25 C ATOM 778 OG SER A 52 11.391 -10.051 -5.698 1.00 2.03 O ATOM 0 H SER A 52 13.571 -9.525 -3.224 1.00 1.19 H new ATOM 0 HA SER A 52 11.982 -8.204 -4.063 1.00 1.04 H new ATOM 0 HB2 SER A 52 10.557 -10.879 -4.004 1.00 1.25 H new ATOM 0 HB3 SER A 52 9.750 -9.445 -4.607 1.00 1.25 H new ATOM 0 HG SER A 52 10.847 -10.609 -6.292 1.00 2.03 H new ATOM 784 N ASN A 53 9.820 -7.519 -2.761 1.00 0.68 N ATOM 785 CA ASN A 53 8.917 -6.899 -1.799 1.00 0.61 C ATOM 786 C ASN A 53 7.467 -7.170 -2.175 1.00 0.59 C ATOM 787 O ASN A 53 7.180 -7.679 -3.258 1.00 0.99 O ATOM 788 CB ASN A 53 9.167 -5.395 -1.743 1.00 0.60 C ATOM 789 CG ASN A 53 10.280 -5.083 -0.755 1.00 0.89 C ATOM 790 OD1 ASN A 53 10.027 -4.808 0.419 1.00 1.68 O ATOM 791 ND2 ASN A 53 11.513 -5.123 -1.233 1.00 1.28 N ATOM 0 H ASN A 53 9.740 -7.154 -3.710 1.00 0.68 H new ATOM 0 HA ASN A 53 9.108 -7.331 -0.817 1.00 0.61 H new ATOM 0 HB2 ASN A 53 9.436 -5.027 -2.733 1.00 0.60 H new ATOM 0 HB3 ASN A 53 8.254 -4.878 -1.448 1.00 0.60 H new ATOM 0 HD21 ASN A 53 12.304 -4.921 -0.621 1.00 1.28 H new ATOM 0 HD22 ASN A 53 11.673 -5.356 -2.213 1.00 1.28 H new ATOM 798 N LEU A 54 6.555 -6.826 -1.272 1.00 0.55 N ATOM 799 CA LEU A 54 5.131 -7.032 -1.504 1.00 0.51 C ATOM 800 C LEU A 54 4.309 -6.250 -0.488 1.00 0.44 C ATOM 801 O LEU A 54 4.113 -6.699 0.640 1.00 0.57 O ATOM 802 CB LEU A 54 4.799 -8.518 -1.408 1.00 0.65 C ATOM 803 CG LEU A 54 3.446 -8.833 -2.040 1.00 0.82 C ATOM 804 CD1 LEU A 54 3.528 -10.102 -2.880 1.00 1.49 C ATOM 805 CD2 LEU A 54 2.368 -8.962 -0.968 1.00 1.49 C ATOM 0 H LEU A 54 6.778 -6.403 -0.371 1.00 0.55 H new ATOM 0 HA LEU A 54 4.884 -6.673 -2.503 1.00 0.51 H new ATOM 0 HB2 LEU A 54 5.577 -9.098 -1.904 1.00 0.65 H new ATOM 0 HB3 LEU A 54 4.792 -8.823 -0.362 1.00 0.65 H new ATOM 0 HG LEU A 54 3.174 -8.007 -2.697 1.00 0.82 H new ATOM 0 HD11 LEU A 54 2.553 -10.309 -3.322 1.00 1.49 H new ATOM 0 HD12 LEU A 54 4.264 -9.967 -3.672 1.00 1.49 H new ATOM 0 HD13 LEU A 54 3.825 -10.939 -2.247 1.00 1.49 H new ATOM 0 HD21 LEU A 54 1.411 -9.187 -1.439 1.00 1.49 H new ATOM 0 HD22 LEU A 54 2.632 -9.766 -0.281 1.00 1.49 H new ATOM 0 HD23 LEU A 54 2.290 -8.025 -0.416 1.00 1.49 H new ATOM 817 N ILE A 55 3.832 -5.079 -0.893 1.00 0.31 N ATOM 818 CA ILE A 55 3.030 -4.235 -0.013 1.00 0.26 C ATOM 819 C ILE A 55 1.607 -4.771 0.085 1.00 0.27 C ATOM 820 O ILE A 55 0.983 -5.090 -0.927 1.00 0.34 O ATOM 821 CB ILE A 55 3.005 -2.799 -0.530 1.00 0.27 C ATOM 822 CG1 ILE A 55 4.400 -2.356 -0.975 1.00 0.31 C ATOM 823 CG2 ILE A 55 2.454 -1.853 0.532 1.00 0.31 C ATOM 824 CD1 ILE A 55 4.418 -0.887 -1.395 1.00 0.35 C ATOM 0 H ILE A 55 3.986 -4.692 -1.824 1.00 0.31 H new ATOM 0 HA ILE A 55 3.483 -4.247 0.978 1.00 0.26 H new ATOM 0 HB ILE A 55 2.345 -2.763 -1.397 1.00 0.27 H new ATOM 0 HG12 ILE A 55 5.108 -2.511 -0.161 1.00 0.31 H new ATOM 0 HG13 ILE A 55 4.731 -2.977 -1.808 1.00 0.31 H new ATOM 0 HG21 ILE A 55 2.445 -0.835 0.143 1.00 0.31 H new ATOM 0 HG22 ILE A 55 1.438 -2.151 0.793 1.00 0.31 H new ATOM 0 HG23 ILE A 55 3.084 -1.896 1.420 1.00 0.31 H new ATOM 0 HD11 ILE A 55 5.426 -0.609 -1.704 1.00 0.35 H new ATOM 0 HD12 ILE A 55 3.729 -0.738 -2.226 1.00 0.35 H new ATOM 0 HD13 ILE A 55 4.112 -0.264 -0.554 1.00 0.35 H new ATOM 836 N ARG A 56 1.099 -4.866 1.311 1.00 0.29 N ATOM 837 CA ARG A 56 -0.254 -5.362 1.543 1.00 0.32 C ATOM 838 C ARG A 56 -1.236 -4.205 1.646 1.00 0.29 C ATOM 839 O ARG A 56 -1.072 -3.312 2.478 1.00 0.42 O ATOM 840 CB ARG A 56 -0.297 -6.192 2.823 1.00 0.42 C ATOM 841 CG ARG A 56 0.388 -7.541 2.638 1.00 0.55 C ATOM 842 CD ARG A 56 1.573 -7.702 3.587 1.00 0.84 C ATOM 843 NE ARG A 56 2.118 -9.051 3.496 1.00 1.44 N ATOM 844 CZ ARG A 56 2.861 -9.572 4.469 1.00 1.77 C ATOM 845 NH1 ARG A 56 4.131 -9.212 4.601 1.00 2.19 N ATOM 846 NH2 ARG A 56 2.336 -10.453 5.309 1.00 2.33 N ATOM 0 H ARG A 56 1.604 -4.606 2.158 1.00 0.29 H new ATOM 0 HA ARG A 56 -0.540 -5.990 0.699 1.00 0.32 H new ATOM 0 HB2 ARG A 56 0.189 -5.644 3.630 1.00 0.42 H new ATOM 0 HB3 ARG A 56 -1.333 -6.347 3.122 1.00 0.42 H new ATOM 0 HG2 ARG A 56 -0.330 -8.342 2.812 1.00 0.55 H new ATOM 0 HG3 ARG A 56 0.730 -7.638 1.608 1.00 0.55 H new ATOM 0 HD2 ARG A 56 2.346 -6.974 3.341 1.00 0.84 H new ATOM 0 HD3 ARG A 56 1.258 -7.499 4.610 1.00 0.84 H new ATOM 0 HE ARG A 56 1.925 -9.610 2.665 1.00 1.44 H new ATOM 0 HH11 ARG A 56 4.539 -8.535 3.956 1.00 2.19 H new ATOM 0 HH12 ARG A 56 4.700 -9.612 5.347 1.00 2.19 H new ATOM 0 HH21 ARG A 56 1.360 -10.733 5.210 1.00 2.33 H new ATOM 0 HH22 ARG A 56 2.908 -10.851 6.054 1.00 2.33 H new ATOM 860 N ILE A 57 -2.258 -4.226 0.800 1.00 0.24 N ATOM 861 CA ILE A 57 -3.269 -3.177 0.796 1.00 0.24 C ATOM 862 C ILE A 57 -4.666 -3.774 0.908 1.00 0.26 C ATOM 863 O ILE A 57 -5.008 -4.714 0.195 1.00 0.40 O ATOM 864 CB ILE A 57 -3.165 -2.349 -0.481 1.00 0.26 C ATOM 865 CG1 ILE A 57 -1.714 -1.960 -0.753 1.00 0.28 C ATOM 866 CG2 ILE A 57 -4.045 -1.107 -0.393 1.00 0.35 C ATOM 867 CD1 ILE A 57 -1.179 -1.008 0.313 1.00 1.32 C ATOM 0 H ILE A 57 -2.409 -4.959 0.107 1.00 0.24 H new ATOM 0 HA ILE A 57 -3.094 -2.533 1.657 1.00 0.24 H new ATOM 0 HB ILE A 57 -3.519 -2.960 -1.312 1.00 0.26 H new ATOM 0 HG12 ILE A 57 -1.096 -2.857 -0.784 1.00 0.28 H new ATOM 0 HG13 ILE A 57 -1.641 -1.488 -1.733 1.00 0.28 H new ATOM 0 HG21 ILE A 57 -3.955 -0.531 -1.314 1.00 0.35 H new ATOM 0 HG22 ILE A 57 -5.084 -1.406 -0.252 1.00 0.35 H new ATOM 0 HG23 ILE A 57 -3.726 -0.494 0.450 1.00 0.35 H new ATOM 0 HD11 ILE A 57 -0.144 -0.753 0.087 1.00 1.32 H new ATOM 0 HD12 ILE A 57 -1.782 -0.100 0.326 1.00 1.32 H new ATOM 0 HD13 ILE A 57 -1.229 -1.490 1.289 1.00 1.32 H new ATOM 879 N GLU A 58 -5.470 -3.213 1.805 1.00 0.23 N ATOM 880 CA GLU A 58 -6.837 -3.679 2.011 1.00 0.25 C ATOM 881 C GLU A 58 -7.702 -2.537 2.519 1.00 0.24 C ATOM 882 O GLU A 58 -7.292 -1.783 3.400 1.00 0.26 O ATOM 883 CB GLU A 58 -6.861 -4.834 3.005 1.00 0.32 C ATOM 884 CG GLU A 58 -8.280 -5.343 3.242 1.00 0.37 C ATOM 885 CD GLU A 58 -8.283 -6.426 4.313 1.00 0.82 C ATOM 886 OE1 GLU A 58 -7.305 -6.501 5.086 1.00 1.47 O ATOM 887 OE2 GLU A 58 -9.264 -7.196 4.377 1.00 1.56 O ATOM 0 H GLU A 58 -5.198 -2.433 2.403 1.00 0.23 H new ATOM 0 HA GLU A 58 -7.234 -4.031 1.059 1.00 0.25 H new ATOM 0 HB2 GLU A 58 -6.239 -5.648 2.632 1.00 0.32 H new ATOM 0 HB3 GLU A 58 -6.428 -4.509 3.951 1.00 0.32 H new ATOM 0 HG2 GLU A 58 -8.923 -4.518 3.548 1.00 0.37 H new ATOM 0 HG3 GLU A 58 -8.691 -5.739 2.314 1.00 0.37 H new ATOM 894 N GLY A 59 -8.894 -2.403 1.953 1.00 0.25 N ATOM 895 CA GLY A 59 -9.803 -1.337 2.347 1.00 0.27 C ATOM 896 C GLY A 59 -11.108 -1.400 1.565 1.00 0.39 C ATOM 897 O GLY A 59 -11.418 -2.408 0.931 1.00 0.59 O ATOM 0 H GLY A 59 -9.252 -3.017 1.222 1.00 0.25 H new ATOM 0 HA2 GLY A 59 -10.013 -1.412 3.414 1.00 0.27 H new ATOM 0 HA3 GLY A 59 -9.326 -0.371 2.183 1.00 0.27 H new ATOM 901 N ASP A 60 -11.872 -0.311 1.622 1.00 0.53 N ATOM 902 CA ASP A 60 -13.147 -0.210 0.940 1.00 0.70 C ATOM 903 C ASP A 60 -13.103 -0.826 -0.452 1.00 0.59 C ATOM 904 O ASP A 60 -12.039 -1.022 -1.036 1.00 1.04 O ATOM 905 CB ASP A 60 -13.603 1.253 0.826 1.00 1.22 C ATOM 906 CG ASP A 60 -15.125 1.379 0.776 1.00 1.93 C ATOM 907 OD1 ASP A 60 -15.813 0.528 1.381 1.00 2.31 O ATOM 908 OD2 ASP A 60 -15.624 2.327 0.134 1.00 2.66 O ATOM 0 H ASP A 60 -11.617 0.526 2.146 1.00 0.53 H new ATOM 0 HA ASP A 60 -13.862 -0.768 1.545 1.00 0.70 H new ATOM 0 HB2 ASP A 60 -13.221 1.819 1.676 1.00 1.22 H new ATOM 0 HB3 ASP A 60 -13.173 1.697 -0.072 1.00 1.22 H new ATOM 913 N PRO A 61 -14.291 -1.118 -0.995 1.00 0.72 N ATOM 914 CA PRO A 61 -14.450 -1.700 -2.337 1.00 1.14 C ATOM 915 C PRO A 61 -13.967 -0.764 -3.445 1.00 0.88 C ATOM 916 O PRO A 61 -13.841 -1.174 -4.599 1.00 1.22 O ATOM 917 CB PRO A 61 -15.959 -1.943 -2.435 1.00 1.82 C ATOM 918 CG PRO A 61 -16.561 -0.975 -1.472 1.00 1.82 C ATOM 919 CD PRO A 61 -15.582 -0.876 -0.338 1.00 1.17 C ATOM 0 HA PRO A 61 -13.853 -2.603 -2.468 1.00 1.14 H new ATOM 0 HB2 PRO A 61 -16.323 -1.772 -3.448 1.00 1.82 H new ATOM 0 HB3 PRO A 61 -16.213 -2.971 -2.174 1.00 1.82 H new ATOM 0 HG2 PRO A 61 -16.719 -0.003 -1.940 1.00 1.82 H new ATOM 0 HG3 PRO A 61 -17.533 -1.323 -1.122 1.00 1.82 H new ATOM 0 HD2 PRO A 61 -15.615 0.103 0.139 1.00 1.17 H new ATOM 0 HD3 PRO A 61 -15.786 -1.615 0.437 1.00 1.17 H new ATOM 927 N GLN A 62 -13.702 0.494 -3.096 1.00 0.64 N ATOM 928 CA GLN A 62 -13.240 1.475 -4.074 1.00 0.47 C ATOM 929 C GLN A 62 -11.947 2.138 -3.616 1.00 0.41 C ATOM 930 O GLN A 62 -10.917 2.042 -4.283 1.00 0.47 O ATOM 931 CB GLN A 62 -14.311 2.541 -4.289 1.00 0.69 C ATOM 932 CG GLN A 62 -15.623 1.932 -4.777 1.00 0.85 C ATOM 933 CD GLN A 62 -16.802 2.551 -4.037 1.00 1.34 C ATOM 934 OE1 GLN A 62 -16.773 2.699 -2.815 1.00 2.14 O ATOM 935 NE2 GLN A 62 -17.840 2.917 -4.779 1.00 1.73 N ATOM 0 H GLN A 62 -13.799 0.856 -2.147 1.00 0.64 H new ATOM 0 HA GLN A 62 -13.049 0.953 -5.012 1.00 0.47 H new ATOM 0 HB2 GLN A 62 -14.483 3.077 -3.356 1.00 0.69 H new ATOM 0 HB3 GLN A 62 -13.956 3.272 -5.016 1.00 0.69 H new ATOM 0 HG2 GLN A 62 -15.731 2.096 -5.849 1.00 0.85 H new ATOM 0 HG3 GLN A 62 -15.612 0.854 -4.619 1.00 0.85 H new ATOM 0 HE21 GLN A 62 -17.820 2.775 -5.789 1.00 1.73 H new ATOM 0 HE22 GLN A 62 -18.657 3.340 -4.339 1.00 1.73 H new ATOM 944 N GLY A 63 -12.011 2.823 -2.481 1.00 0.37 N ATOM 945 CA GLY A 63 -10.851 3.519 -1.932 1.00 0.34 C ATOM 946 C GLY A 63 -9.600 2.648 -1.953 1.00 0.27 C ATOM 947 O GLY A 63 -8.489 3.151 -2.117 1.00 0.29 O ATOM 0 H GLY A 63 -12.858 2.912 -1.919 1.00 0.37 H new ATOM 0 HA2 GLY A 63 -10.669 4.428 -2.505 1.00 0.34 H new ATOM 0 HA3 GLY A 63 -11.063 3.825 -0.907 1.00 0.34 H new ATOM 951 N VAL A 64 -9.780 1.343 -1.774 1.00 0.24 N ATOM 952 CA VAL A 64 -8.652 0.418 -1.758 1.00 0.21 C ATOM 953 C VAL A 64 -8.081 0.212 -3.162 1.00 0.24 C ATOM 954 O VAL A 64 -6.869 0.280 -3.360 1.00 0.28 O ATOM 955 CB VAL A 64 -9.076 -0.916 -1.125 1.00 0.24 C ATOM 956 CG1 VAL A 64 -9.745 -1.858 -2.132 1.00 0.30 C ATOM 957 CG2 VAL A 64 -7.876 -1.592 -0.472 1.00 0.26 C ATOM 0 H VAL A 64 -10.691 0.904 -1.639 1.00 0.24 H new ATOM 0 HA VAL A 64 -7.858 0.852 -1.151 1.00 0.21 H new ATOM 0 HB VAL A 64 -9.822 -0.690 -0.363 1.00 0.24 H new ATOM 0 HG11 VAL A 64 -10.025 -2.786 -1.632 1.00 0.30 H new ATOM 0 HG12 VAL A 64 -10.637 -1.382 -2.539 1.00 0.30 H new ATOM 0 HG13 VAL A 64 -9.050 -2.078 -2.942 1.00 0.30 H new ATOM 0 HG21 VAL A 64 -8.188 -2.537 -0.027 1.00 0.26 H new ATOM 0 HG22 VAL A 64 -7.111 -1.781 -1.225 1.00 0.26 H new ATOM 0 HG23 VAL A 64 -7.470 -0.942 0.303 1.00 0.26 H new ATOM 967 N GLN A 65 -8.956 -0.039 -4.131 1.00 0.25 N ATOM 968 CA GLN A 65 -8.523 -0.251 -5.507 1.00 0.30 C ATOM 969 C GLN A 65 -7.996 1.050 -6.097 1.00 0.30 C ATOM 970 O GLN A 65 -7.129 1.041 -6.971 1.00 0.34 O ATOM 971 CB GLN A 65 -9.679 -0.781 -6.350 1.00 0.37 C ATOM 972 CG GLN A 65 -10.777 0.263 -6.521 1.00 0.42 C ATOM 973 CD GLN A 65 -11.731 -0.150 -7.633 1.00 0.78 C ATOM 974 OE1 GLN A 65 -12.448 -1.144 -7.515 1.00 1.56 O ATOM 975 NE2 GLN A 65 -11.740 0.616 -8.718 1.00 0.82 N ATOM 0 H GLN A 65 -9.964 -0.100 -3.990 1.00 0.25 H new ATOM 0 HA GLN A 65 -7.721 -0.989 -5.511 1.00 0.30 H new ATOM 0 HB2 GLN A 65 -9.307 -1.082 -7.329 1.00 0.37 H new ATOM 0 HB3 GLN A 65 -10.094 -1.672 -5.879 1.00 0.37 H new ATOM 0 HG2 GLN A 65 -11.326 0.380 -5.587 1.00 0.42 H new ATOM 0 HG3 GLN A 65 -10.334 1.231 -6.754 1.00 0.42 H new ATOM 0 HE21 GLN A 65 -11.129 1.431 -8.772 1.00 0.82 H new ATOM 0 HE22 GLN A 65 -12.358 0.390 -9.497 1.00 0.82 H new ATOM 984 N GLN A 66 -8.520 2.167 -5.605 1.00 0.29 N ATOM 985 CA GLN A 66 -8.098 3.481 -6.073 1.00 0.31 C ATOM 986 C GLN A 66 -6.686 3.779 -5.588 1.00 0.29 C ATOM 987 O GLN A 66 -5.849 4.274 -6.343 1.00 0.36 O ATOM 988 CB GLN A 66 -9.061 4.551 -5.566 1.00 0.35 C ATOM 989 CG GLN A 66 -9.526 5.469 -6.693 1.00 0.79 C ATOM 990 CD GLN A 66 -10.821 4.946 -7.301 1.00 1.10 C ATOM 991 OE1 GLN A 66 -10.807 4.281 -8.337 1.00 2.03 O ATOM 992 NE2 GLN A 66 -11.942 5.246 -6.657 1.00 1.31 N ATOM 0 H GLN A 66 -9.239 2.188 -4.881 1.00 0.29 H new ATOM 0 HA GLN A 66 -8.106 3.486 -7.163 1.00 0.31 H new ATOM 0 HB2 GLN A 66 -9.926 4.074 -5.105 1.00 0.35 H new ATOM 0 HB3 GLN A 66 -8.573 5.143 -4.792 1.00 0.35 H new ATOM 0 HG2 GLN A 66 -9.678 6.478 -6.310 1.00 0.79 H new ATOM 0 HG3 GLN A 66 -8.755 5.532 -7.461 1.00 0.79 H new ATOM 0 HE21 GLN A 66 -11.906 5.800 -5.801 1.00 1.31 H new ATOM 0 HE22 GLN A 66 -12.840 4.922 -7.018 1.00 1.31 H new ATOM 1001 N ALA A 67 -6.428 3.466 -4.321 1.00 0.26 N ATOM 1002 CA ALA A 67 -5.114 3.689 -3.729 1.00 0.27 C ATOM 1003 C ALA A 67 -4.131 2.634 -4.216 1.00 0.26 C ATOM 1004 O ALA A 67 -2.971 2.934 -4.499 1.00 0.30 O ATOM 1005 CB ALA A 67 -5.215 3.642 -2.206 1.00 0.29 C ATOM 0 H ALA A 67 -7.113 3.057 -3.685 1.00 0.26 H new ATOM 0 HA ALA A 67 -4.754 4.672 -4.033 1.00 0.27 H new ATOM 0 HB1 ALA A 67 -4.230 3.809 -1.771 1.00 0.29 H new ATOM 0 HB2 ALA A 67 -5.900 4.417 -1.863 1.00 0.29 H new ATOM 0 HB3 ALA A 67 -5.588 2.666 -1.896 1.00 0.29 H new ATOM 1011 N LYS A 68 -4.606 1.396 -4.319 1.00 0.25 N ATOM 1012 CA LYS A 68 -3.775 0.290 -4.781 1.00 0.28 C ATOM 1013 C LYS A 68 -3.108 0.653 -6.101 1.00 0.31 C ATOM 1014 O LYS A 68 -1.885 0.598 -6.228 1.00 0.44 O ATOM 1015 CB LYS A 68 -4.628 -0.964 -4.956 1.00 0.32 C ATOM 1016 CG LYS A 68 -3.819 -2.123 -5.536 1.00 0.37 C ATOM 1017 CD LYS A 68 -4.434 -2.642 -6.833 1.00 0.43 C ATOM 1018 CE LYS A 68 -3.639 -3.812 -7.404 1.00 0.57 C ATOM 1019 NZ LYS A 68 -4.091 -4.152 -8.782 1.00 0.88 N ATOM 0 H LYS A 68 -5.564 1.134 -4.088 1.00 0.25 H new ATOM 0 HA LYS A 68 -3.003 0.094 -4.037 1.00 0.28 H new ATOM 0 HB2 LYS A 68 -5.045 -1.258 -3.993 1.00 0.32 H new ATOM 0 HB3 LYS A 68 -5.469 -0.743 -5.613 1.00 0.32 H new ATOM 0 HG2 LYS A 68 -2.796 -1.796 -5.723 1.00 0.37 H new ATOM 0 HG3 LYS A 68 -3.767 -2.932 -4.808 1.00 0.37 H new ATOM 0 HD2 LYS A 68 -5.462 -2.955 -6.649 1.00 0.43 H new ATOM 0 HD3 LYS A 68 -4.473 -1.836 -7.566 1.00 0.43 H new ATOM 0 HE2 LYS A 68 -2.578 -3.561 -7.418 1.00 0.57 H new ATOM 0 HE3 LYS A 68 -3.752 -4.682 -6.757 1.00 0.57 H new ATOM 0 HZ1 LYS A 68 -3.532 -4.951 -9.143 1.00 0.88 H new ATOM 0 HZ2 LYS A 68 -5.097 -4.414 -8.763 1.00 0.88 H new ATOM 0 HZ3 LYS A 68 -3.960 -3.329 -9.403 1.00 0.88 H new ATOM 1033 N ARG A 69 -3.922 1.029 -7.082 1.00 0.36 N ATOM 1034 CA ARG A 69 -3.426 1.409 -8.393 1.00 0.43 C ATOM 1035 C ARG A 69 -2.547 2.648 -8.293 1.00 0.42 C ATOM 1036 O ARG A 69 -1.465 2.703 -8.878 1.00 0.46 O ATOM 1037 CB ARG A 69 -4.603 1.680 -9.313 1.00 0.50 C ATOM 1038 CG ARG A 69 -4.167 1.795 -10.767 1.00 1.02 C ATOM 1039 CD ARG A 69 -4.866 2.952 -11.475 1.00 1.36 C ATOM 1040 NE ARG A 69 -6.029 2.469 -12.213 1.00 1.81 N ATOM 1041 CZ ARG A 69 -6.288 2.876 -13.452 1.00 2.35 C ATOM 1042 NH1 ARG A 69 -6.117 4.149 -13.782 1.00 2.76 N ATOM 1043 NH2 ARG A 69 -6.718 2.011 -14.360 1.00 2.98 N ATOM 0 H ARG A 69 -4.937 1.078 -6.989 1.00 0.36 H new ATOM 0 HA ARG A 69 -2.825 0.595 -8.797 1.00 0.43 H new ATOM 0 HB2 ARG A 69 -5.334 0.877 -9.215 1.00 0.50 H new ATOM 0 HB3 ARG A 69 -5.099 2.602 -9.008 1.00 0.50 H new ATOM 0 HG2 ARG A 69 -3.088 1.939 -10.813 1.00 1.02 H new ATOM 0 HG3 ARG A 69 -4.387 0.863 -11.288 1.00 1.02 H new ATOM 0 HD2 ARG A 69 -5.176 3.700 -10.745 1.00 1.36 H new ATOM 0 HD3 ARG A 69 -4.172 3.442 -12.158 1.00 1.36 H new ATOM 0 HE ARG A 69 -6.659 1.802 -11.767 1.00 1.81 H new ATOM 0 HH11 ARG A 69 -5.787 4.817 -13.085 1.00 2.76 H new ATOM 0 HH12 ARG A 69 -6.316 4.461 -14.733 1.00 2.76 H new ATOM 0 HH21 ARG A 69 -6.851 1.031 -14.109 1.00 2.98 H new ATOM 0 HH22 ARG A 69 -6.916 2.325 -15.310 1.00 2.98 H new ATOM 1057 N GLU A 70 -3.018 3.641 -7.545 1.00 0.40 N ATOM 1058 CA GLU A 70 -2.277 4.884 -7.364 1.00 0.43 C ATOM 1059 C GLU A 70 -0.868 4.593 -6.862 1.00 0.44 C ATOM 1060 O GLU A 70 0.063 5.358 -7.115 1.00 0.56 O ATOM 1061 CB GLU A 70 -3.007 5.785 -6.375 1.00 0.44 C ATOM 1062 CG GLU A 70 -2.363 7.166 -6.289 1.00 0.59 C ATOM 1063 CD GLU A 70 -3.246 8.203 -6.970 1.00 0.82 C ATOM 1064 OE1 GLU A 70 -3.264 8.241 -8.218 1.00 1.38 O ATOM 1065 OE2 GLU A 70 -3.917 8.976 -6.254 1.00 1.50 O ATOM 0 H GLU A 70 -3.911 3.609 -7.054 1.00 0.40 H new ATOM 0 HA GLU A 70 -2.207 5.393 -8.325 1.00 0.43 H new ATOM 0 HB2 GLU A 70 -4.049 5.888 -6.677 1.00 0.44 H new ATOM 0 HB3 GLU A 70 -3.005 5.320 -5.389 1.00 0.44 H new ATOM 0 HG2 GLU A 70 -2.209 7.439 -5.245 1.00 0.59 H new ATOM 0 HG3 GLU A 70 -1.381 7.147 -6.762 1.00 0.59 H new ATOM 1072 N LEU A 71 -0.719 3.481 -6.150 1.00 0.40 N ATOM 1073 CA LEU A 71 0.575 3.083 -5.611 1.00 0.47 C ATOM 1074 C LEU A 71 1.431 2.449 -6.699 1.00 0.52 C ATOM 1075 O LEU A 71 2.627 2.720 -6.801 1.00 0.60 O ATOM 1076 CB LEU A 71 0.381 2.093 -4.468 1.00 0.51 C ATOM 1077 CG LEU A 71 -0.155 2.780 -3.214 1.00 0.78 C ATOM 1078 CD1 LEU A 71 -0.487 1.753 -2.135 1.00 1.08 C ATOM 1079 CD2 LEU A 71 0.846 3.807 -2.692 1.00 1.15 C ATOM 0 H LEU A 71 -1.481 2.838 -5.933 1.00 0.40 H new ATOM 0 HA LEU A 71 1.083 3.971 -5.236 1.00 0.47 H new ATOM 0 HB2 LEU A 71 -0.310 1.309 -4.778 1.00 0.51 H new ATOM 0 HB3 LEU A 71 1.331 1.608 -4.240 1.00 0.51 H new ATOM 0 HG LEU A 71 -1.074 3.304 -3.479 1.00 0.78 H new ATOM 0 HD11 LEU A 71 -0.867 2.264 -1.251 1.00 1.08 H new ATOM 0 HD12 LEU A 71 -1.244 1.064 -2.509 1.00 1.08 H new ATOM 0 HD13 LEU A 71 0.413 1.196 -1.873 1.00 1.08 H new ATOM 0 HD21 LEU A 71 0.445 4.285 -1.798 1.00 1.15 H new ATOM 0 HD22 LEU A 71 1.784 3.309 -2.447 1.00 1.15 H new ATOM 0 HD23 LEU A 71 1.025 4.562 -3.458 1.00 1.15 H new ATOM 1091 N LEU A 72 0.809 1.601 -7.511 1.00 0.52 N ATOM 1092 CA LEU A 72 1.510 0.922 -8.595 1.00 0.63 C ATOM 1093 C LEU A 72 1.924 1.917 -9.674 1.00 0.67 C ATOM 1094 O LEU A 72 2.970 1.762 -10.305 1.00 0.83 O ATOM 1095 CB LEU A 72 0.615 -0.155 -9.202 1.00 0.66 C ATOM 1096 CG LEU A 72 0.580 -1.410 -8.335 1.00 0.88 C ATOM 1097 CD1 LEU A 72 -0.848 -1.931 -8.204 1.00 1.99 C ATOM 1098 CD2 LEU A 72 1.498 -2.487 -8.906 1.00 1.04 C ATOM 0 H LEU A 72 -0.181 1.367 -7.439 1.00 0.52 H new ATOM 0 HA LEU A 72 2.407 0.457 -8.187 1.00 0.63 H new ATOM 0 HB2 LEU A 72 -0.396 0.235 -9.320 1.00 0.66 H new ATOM 0 HB3 LEU A 72 0.976 -0.410 -10.198 1.00 0.66 H new ATOM 0 HG LEU A 72 0.942 -1.149 -7.340 1.00 0.88 H new ATOM 0 HD11 LEU A 72 -0.853 -2.826 -7.582 1.00 1.99 H new ATOM 0 HD12 LEU A 72 -1.474 -1.166 -7.744 1.00 1.99 H new ATOM 0 HD13 LEU A 72 -1.239 -2.173 -9.192 1.00 1.99 H new ATOM 0 HD21 LEU A 72 1.458 -3.373 -8.272 1.00 1.04 H new ATOM 0 HD22 LEU A 72 1.172 -2.746 -9.913 1.00 1.04 H new ATOM 0 HD23 LEU A 72 2.521 -2.112 -8.941 1.00 1.04 H new ATOM 1110 N GLU A 73 1.096 2.934 -9.885 1.00 0.64 N ATOM 1111 CA GLU A 73 1.376 3.953 -10.893 1.00 0.74 C ATOM 1112 C GLU A 73 2.445 4.918 -10.401 1.00 0.71 C ATOM 1113 O GLU A 73 3.558 4.948 -10.928 1.00 0.88 O ATOM 1114 CB GLU A 73 0.100 4.721 -11.228 1.00 0.82 C ATOM 1115 CG GLU A 73 -0.470 4.299 -12.579 1.00 1.00 C ATOM 1116 CD GLU A 73 -0.098 2.855 -12.883 1.00 1.41 C ATOM 1117 OE1 GLU A 73 0.997 2.626 -13.438 1.00 2.05 O ATOM 1118 OE2 GLU A 73 -0.901 1.953 -12.564 1.00 2.01 O ATOM 0 H GLU A 73 0.226 3.076 -9.372 1.00 0.64 H new ATOM 0 HA GLU A 73 1.744 3.456 -11.791 1.00 0.74 H new ATOM 0 HB2 GLU A 73 -0.643 4.550 -10.449 1.00 0.82 H new ATOM 0 HB3 GLU A 73 0.310 5.790 -11.239 1.00 0.82 H new ATOM 0 HG2 GLU A 73 -1.554 4.409 -12.574 1.00 1.00 H new ATOM 0 HG3 GLU A 73 -0.087 4.953 -13.363 1.00 1.00 H new ATOM 1125 N LEU A 74 2.103 5.712 -9.392 1.00 0.64 N ATOM 1126 CA LEU A 74 3.035 6.684 -8.833 1.00 0.71 C ATOM 1127 C LEU A 74 4.137 5.983 -8.047 1.00 0.82 C ATOM 1128 O LEU A 74 5.323 6.198 -8.296 1.00 1.13 O ATOM 1129 CB LEU A 74 2.290 7.664 -7.929 1.00 0.85 C ATOM 1130 CG LEU A 74 1.006 8.175 -8.583 1.00 0.99 C ATOM 1131 CD1 LEU A 74 0.359 9.258 -7.724 1.00 1.19 C ATOM 1132 CD2 LEU A 74 1.283 8.699 -9.990 1.00 1.32 C ATOM 0 H LEU A 74 1.187 5.701 -8.944 1.00 0.64 H new ATOM 0 HA LEU A 74 3.493 7.234 -9.655 1.00 0.71 H new ATOM 0 HB2 LEU A 74 2.048 7.176 -6.985 1.00 0.85 H new ATOM 0 HB3 LEU A 74 2.939 8.508 -7.694 1.00 0.85 H new ATOM 0 HG LEU A 74 0.311 7.339 -8.663 1.00 0.99 H new ATOM 0 HD11 LEU A 74 -0.553 9.609 -8.207 1.00 1.19 H new ATOM 0 HD12 LEU A 74 0.116 8.848 -6.744 1.00 1.19 H new ATOM 0 HD13 LEU A 74 1.051 10.092 -7.607 1.00 1.19 H new ATOM 0 HD21 LEU A 74 0.354 9.057 -10.434 1.00 1.32 H new ATOM 0 HD22 LEU A 74 2.000 9.518 -9.938 1.00 1.32 H new ATOM 0 HD23 LEU A 74 1.693 7.896 -10.603 1.00 1.32 H new ATOM 1144 N ALA A 75 3.738 5.145 -7.096 1.00 0.78 N ATOM 1145 CA ALA A 75 4.692 4.410 -6.272 1.00 0.99 C ATOM 1146 C ALA A 75 5.637 5.372 -5.563 1.00 1.70 C ATOM 1147 O ALA A 75 6.847 5.150 -5.520 1.00 2.16 O ATOM 1148 CB ALA A 75 5.493 3.441 -7.137 1.00 1.14 C ATOM 0 H ALA A 75 2.760 4.958 -6.876 1.00 0.78 H new ATOM 0 HA ALA A 75 4.138 3.846 -5.521 1.00 0.99 H new ATOM 0 HB1 ALA A 75 6.202 2.897 -6.513 1.00 1.14 H new ATOM 0 HB2 ALA A 75 4.815 2.735 -7.616 1.00 1.14 H new ATOM 0 HB3 ALA A 75 6.035 3.998 -7.901 1.00 1.14 H new