USER MOD reduce.3.24.130724 H: found=0, std=0, add=1090, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1090 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 95 ASN : amide:sc= -2.75! C(o=1.1!,f=-5.4!) USER MOD Set 1.2: A 103 LYS NZ :NH3+ -109:sc= 1.77 (180deg=-0.0912) USER MOD Set 1.3: A 107 SER OG : rot 66:sc= 2.09 USER MOD Set 2.1: A 26 SER OG : rot 175:sc= 1.3 USER MOD Set 2.2: A 66 HIS : no HD1:sc= 0.739 K(o=2,f=-3) USER MOD Set 3.1: A 53 ASN : amide:sc= 0.143 K(o=0.26,f=-2.7!) USER MOD Set 3.2: A 54 THR OG1 : rot 180:sc= 0.117 USER MOD Set 4.1: A 13 ASN : amide:sc= 2.11 K(o=3,f=1.7) USER MOD Set 4.2: A 46 TYR OH : rot 15:sc= 0.904 USER MOD Set 5.1: A 23 SER OG : rot 180:sc= 1.07 USER MOD Set 5.2: A 27 LYS NZ :NH3+ -178:sc= 1.23 (180deg=0) USER MOD Set 6.1: A 7 GLN : amide:sc= 0 K(o=1.2,f=0.39) USER MOD Set 6.2: A 32 GLN : amide:sc= 1.19 K(o=1.2,f=-0.83) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.159 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -84:sc= 1.32 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.0105 X(o=-0.01,f=-0.23) USER MOD Single : A 21 SER OG : rot 172:sc= -1.94! USER MOD Single : A 24 SER OG : rot 70:sc= 1.22 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 170:sc= 1.22 (180deg=0.757) USER MOD Single : A 42 MET CE :methyl -151:sc= -0.27 (180deg=-0.844) USER MOD Single : A 44 LYS NZ :NH3+ -162:sc= 1.14 (180deg=0.862) USER MOD Single : A 47 MET CE :methyl 145:sc= -0.349 (180deg=-1.89) USER MOD Single : A 51 SER OG : rot -150:sc= 0.122 USER MOD Single : A 57 LYS NZ :NH3+ -139:sc= 2.04 (180deg=-0.00405!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -155:sc= -0.232 (180deg=-1) USER MOD Single : A 65 ASN : amide:sc= 0.258 K(o=0.26,f=-2.6) USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 70 GLN : amide:sc=-0.00308 X(o=-0.0031,f=-0.31) USER MOD Single : A 72 LYS NZ :NH3+ 175:sc= 1.28 (180deg=1.18) USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 75 LYS NZ :NH3+ -168:sc=-0.000396 (180deg=-0.0771) USER MOD Single : A 78 GLN : amide:sc= 0.055 K(o=0.055,f=-4!) USER MOD Single : A 80 GLN : amide:sc= -1.01 K(o=-1,f=-0.42) USER MOD Single : A 82 SER OG : rot 76:sc= 1.25 USER MOD Single : A 85 LYS NZ :NH3+ -144:sc= 1.22 (180deg=0.66) USER MOD Single : A 96 GLN : amide:sc= 0.575 K(o=0.58,f=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 152:sc= 1.23 (180deg=0.969) USER MOD Single : A 111 ASN : amide:sc= 0.0114 K(o=0.011,f=-0.72) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0.0821 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 125 ASN : amide:sc= 1.04 K(o=1,f=-5.1!) USER MOD Single : A 130 SER OG : rot 88:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 68 N GLN A 7 14.530 -5.901 -6.549 1.00 0.63 N ATOM 69 CA GLN A 7 14.901 -5.573 -5.175 1.00 0.61 C ATOM 70 C GLN A 7 13.663 -5.294 -4.322 1.00 0.52 C ATOM 71 O GLN A 7 13.644 -5.568 -3.124 1.00 0.61 O ATOM 72 CB GLN A 7 15.857 -4.372 -5.151 1.00 0.75 C ATOM 73 CG GLN A 7 15.218 -3.045 -5.535 1.00 1.58 C ATOM 74 CD GLN A 7 16.228 -1.913 -5.592 1.00 2.04 C ATOM 75 OE1 GLN A 7 17.397 -2.124 -5.914 1.00 2.40 O ATOM 76 NE2 GLN A 7 15.788 -0.707 -5.270 1.00 2.75 N ATOM 0 HA GLN A 7 15.414 -6.434 -4.748 1.00 0.61 H new ATOM 0 HB2 GLN A 7 16.279 -4.281 -4.150 1.00 0.75 H new ATOM 0 HB3 GLN A 7 16.686 -4.571 -5.830 1.00 0.75 H new ATOM 0 HG2 GLN A 7 14.733 -3.145 -6.506 1.00 1.58 H new ATOM 0 HG3 GLN A 7 14.439 -2.798 -4.814 1.00 1.58 H new ATOM 0 HE21 GLN A 7 14.811 -0.574 -5.009 1.00 2.75 H new ATOM 0 HE22 GLN A 7 16.426 0.089 -5.283 1.00 2.75 H new ATOM 85 N PHE A 8 12.626 -4.764 -4.955 1.00 0.49 N ATOM 86 CA PHE A 8 11.383 -4.457 -4.268 1.00 0.45 C ATOM 87 C PHE A 8 10.473 -5.683 -4.259 1.00 0.44 C ATOM 88 O PHE A 8 9.832 -5.993 -3.254 1.00 0.42 O ATOM 89 CB PHE A 8 10.691 -3.277 -4.956 1.00 0.51 C ATOM 90 CG PHE A 8 9.385 -2.878 -4.330 1.00 0.48 C ATOM 91 CD1 PHE A 8 9.320 -2.516 -2.993 1.00 0.88 C ATOM 92 CD2 PHE A 8 8.218 -2.865 -5.078 1.00 0.89 C ATOM 93 CE1 PHE A 8 8.119 -2.148 -2.418 1.00 0.90 C ATOM 94 CE2 PHE A 8 7.015 -2.499 -4.507 1.00 0.91 C ATOM 95 CZ PHE A 8 6.965 -2.139 -3.176 1.00 0.55 C ATOM 0 H PHE A 8 12.623 -4.537 -5.949 1.00 0.49 H new ATOM 0 HA PHE A 8 11.600 -4.183 -3.236 1.00 0.45 H new ATOM 0 HB2 PHE A 8 11.363 -2.419 -4.945 1.00 0.51 H new ATOM 0 HB3 PHE A 8 10.517 -3.532 -6.001 1.00 0.51 H new ATOM 0 HD1 PHE A 8 10.219 -2.522 -2.394 1.00 0.88 H new ATOM 0 HD2 PHE A 8 8.250 -3.145 -6.121 1.00 0.89 H new ATOM 0 HE1 PHE A 8 8.083 -1.867 -1.376 1.00 0.90 H new ATOM 0 HE2 PHE A 8 6.114 -2.495 -5.102 1.00 0.91 H new ATOM 0 HZ PHE A 8 6.025 -1.851 -2.728 1.00 0.55 H new ATOM 105 N THR A 9 10.447 -6.389 -5.381 1.00 0.50 N ATOM 106 CA THR A 9 9.627 -7.579 -5.535 1.00 0.56 C ATOM 107 C THR A 9 10.054 -8.686 -4.571 1.00 0.56 C ATOM 108 O THR A 9 9.215 -9.393 -4.006 1.00 0.60 O ATOM 109 CB THR A 9 9.729 -8.087 -6.980 1.00 0.67 C ATOM 110 OG1 THR A 9 10.331 -7.069 -7.793 1.00 0.76 O ATOM 111 CG2 THR A 9 8.358 -8.440 -7.534 1.00 0.86 C ATOM 0 H THR A 9 10.994 -6.152 -6.209 1.00 0.50 H new ATOM 0 HA THR A 9 8.596 -7.311 -5.303 1.00 0.56 H new ATOM 0 HB THR A 9 10.341 -8.989 -6.992 1.00 0.67 H new ATOM 0 HG1 THR A 9 10.401 -7.387 -8.717 1.00 0.76 H new ATOM 0 HG21 THR A 9 8.461 -8.797 -8.559 1.00 0.86 H new ATOM 0 HG22 THR A 9 7.908 -9.221 -6.921 1.00 0.86 H new ATOM 0 HG23 THR A 9 7.721 -7.556 -7.520 1.00 0.86 H new ATOM 119 N THR A 10 11.360 -8.824 -4.374 1.00 0.57 N ATOM 120 CA THR A 10 11.894 -9.838 -3.480 1.00 0.63 C ATOM 121 C THR A 10 11.509 -9.540 -2.025 1.00 0.58 C ATOM 122 O THR A 10 11.324 -10.457 -1.224 1.00 0.66 O ATOM 123 CB THR A 10 13.433 -9.962 -3.632 1.00 0.71 C ATOM 124 OG1 THR A 10 13.842 -11.319 -3.419 1.00 1.42 O ATOM 125 CG2 THR A 10 14.174 -9.046 -2.664 1.00 1.31 C ATOM 0 H THR A 10 12.068 -8.244 -4.824 1.00 0.57 H new ATOM 0 HA THR A 10 11.453 -10.796 -3.757 1.00 0.63 H new ATOM 0 HB THR A 10 13.687 -9.656 -4.647 1.00 0.71 H new ATOM 0 HG1 THR A 10 14.815 -11.387 -3.519 1.00 1.42 H new ATOM 0 HG21 THR A 10 15.249 -9.163 -2.803 1.00 1.31 H new ATOM 0 HG22 THR A 10 13.894 -8.010 -2.857 1.00 1.31 H new ATOM 0 HG23 THR A 10 13.910 -9.309 -1.640 1.00 1.31 H new ATOM 133 N LYS A 11 11.349 -8.256 -1.703 1.00 0.51 N ATOM 134 CA LYS A 11 10.984 -7.846 -0.351 1.00 0.50 C ATOM 135 C LYS A 11 9.535 -8.202 -0.056 1.00 0.48 C ATOM 136 O LYS A 11 9.216 -8.720 1.011 1.00 0.52 O ATOM 137 CB LYS A 11 11.200 -6.339 -0.166 1.00 0.50 C ATOM 138 CG LYS A 11 12.660 -5.944 -0.005 1.00 0.59 C ATOM 139 CD LYS A 11 13.217 -6.394 1.337 1.00 0.80 C ATOM 140 CE LYS A 11 14.733 -6.301 1.371 1.00 1.06 C ATOM 141 NZ LYS A 11 15.293 -6.866 2.628 1.00 1.30 N ATOM 0 H LYS A 11 11.467 -7.485 -2.360 1.00 0.51 H new ATOM 0 HA LYS A 11 11.626 -8.381 0.349 1.00 0.50 H new ATOM 0 HB2 LYS A 11 10.784 -5.813 -1.025 1.00 0.50 H new ATOM 0 HB3 LYS A 11 10.644 -6.007 0.711 1.00 0.50 H new ATOM 0 HG2 LYS A 11 13.248 -6.385 -0.810 1.00 0.59 H new ATOM 0 HG3 LYS A 11 12.757 -4.862 -0.096 1.00 0.59 H new ATOM 0 HD2 LYS A 11 12.796 -5.778 2.132 1.00 0.80 H new ATOM 0 HD3 LYS A 11 12.910 -7.421 1.533 1.00 0.80 H new ATOM 0 HE2 LYS A 11 15.149 -6.834 0.516 1.00 1.06 H new ATOM 0 HE3 LYS A 11 15.035 -5.258 1.275 1.00 1.06 H new ATOM 0 HZ1 LYS A 11 16.330 -6.784 2.614 1.00 1.30 H new ATOM 0 HZ2 LYS A 11 14.916 -6.341 3.443 1.00 1.30 H new ATOM 0 HZ3 LYS A 11 15.026 -7.868 2.708 1.00 1.30 H new ATOM 155 N LEU A 12 8.668 -7.952 -1.030 1.00 0.47 N ATOM 156 CA LEU A 12 7.243 -8.238 -0.888 1.00 0.50 C ATOM 157 C LEU A 12 6.991 -9.731 -0.700 1.00 0.56 C ATOM 158 O LEU A 12 5.973 -10.132 -0.137 1.00 0.65 O ATOM 159 CB LEU A 12 6.479 -7.749 -2.124 1.00 0.54 C ATOM 160 CG LEU A 12 6.468 -6.234 -2.334 1.00 0.66 C ATOM 161 CD1 LEU A 12 5.919 -5.894 -3.712 1.00 1.57 C ATOM 162 CD2 LEU A 12 5.647 -5.550 -1.252 1.00 0.84 C ATOM 0 H LEU A 12 8.927 -7.550 -1.931 1.00 0.47 H new ATOM 0 HA LEU A 12 6.888 -7.711 -0.002 1.00 0.50 H new ATOM 0 HB2 LEU A 12 6.913 -8.218 -3.007 1.00 0.54 H new ATOM 0 HB3 LEU A 12 5.448 -8.096 -2.053 1.00 0.54 H new ATOM 0 HG LEU A 12 7.493 -5.870 -2.269 1.00 0.66 H new ATOM 0 HD11 LEU A 12 5.918 -4.812 -3.846 1.00 1.57 H new ATOM 0 HD12 LEU A 12 6.545 -6.354 -4.477 1.00 1.57 H new ATOM 0 HD13 LEU A 12 4.901 -6.272 -3.801 1.00 1.57 H new ATOM 0 HD21 LEU A 12 5.651 -4.473 -1.418 1.00 0.84 H new ATOM 0 HD22 LEU A 12 4.622 -5.918 -1.286 1.00 0.84 H new ATOM 0 HD23 LEU A 12 6.079 -5.768 -0.275 1.00 0.84 H new ATOM 174 N ASN A 13 7.931 -10.545 -1.160 1.00 0.60 N ATOM 175 CA ASN A 13 7.802 -11.994 -1.063 1.00 0.71 C ATOM 176 C ASN A 13 8.504 -12.550 0.174 1.00 0.72 C ATOM 177 O ASN A 13 8.570 -13.766 0.358 1.00 0.87 O ATOM 178 CB ASN A 13 8.357 -12.662 -2.323 1.00 0.82 C ATOM 179 CG ASN A 13 7.373 -12.629 -3.477 1.00 1.14 C ATOM 180 OD1 ASN A 13 6.521 -13.508 -3.609 1.00 1.53 O ATOM 181 ND2 ASN A 13 7.485 -11.618 -4.327 1.00 1.59 N ATOM 0 H ASN A 13 8.792 -10.227 -1.605 1.00 0.60 H new ATOM 0 HA ASN A 13 6.740 -12.219 -0.970 1.00 0.71 H new ATOM 0 HB2 ASN A 13 9.278 -12.161 -2.620 1.00 0.82 H new ATOM 0 HB3 ASN A 13 8.615 -13.697 -2.099 1.00 0.82 H new ATOM 0 HD21 ASN A 13 6.852 -11.549 -5.124 1.00 1.59 H new ATOM 0 HD22 ASN A 13 8.204 -10.909 -4.184 1.00 1.59 H new ATOM 188 N THR A 14 9.026 -11.668 1.020 1.00 0.67 N ATOM 189 CA THR A 14 9.709 -12.100 2.236 1.00 0.74 C ATOM 190 C THR A 14 9.195 -11.342 3.459 1.00 0.68 C ATOM 191 O THR A 14 9.862 -11.285 4.493 1.00 0.81 O ATOM 192 CB THR A 14 11.238 -11.915 2.128 1.00 0.85 C ATOM 193 OG1 THR A 14 11.545 -10.717 1.404 1.00 1.63 O ATOM 194 CG2 THR A 14 11.885 -13.107 1.441 1.00 1.47 C ATOM 0 H THR A 14 8.990 -10.657 0.889 1.00 0.67 H new ATOM 0 HA THR A 14 9.492 -13.162 2.355 1.00 0.74 H new ATOM 0 HB THR A 14 11.638 -11.838 3.139 1.00 0.85 H new ATOM 0 HG1 THR A 14 11.527 -10.902 0.442 1.00 1.63 H new ATOM 0 HG21 THR A 14 12.962 -12.950 1.378 1.00 1.47 H new ATOM 0 HG22 THR A 14 11.683 -14.011 2.015 1.00 1.47 H new ATOM 0 HG23 THR A 14 11.475 -13.215 0.437 1.00 1.47 H new ATOM 202 N LEU A 15 8.003 -10.773 3.343 1.00 0.61 N ATOM 203 CA LEU A 15 7.414 -10.015 4.439 1.00 0.61 C ATOM 204 C LEU A 15 6.339 -10.815 5.158 1.00 0.60 C ATOM 205 O LEU A 15 5.473 -11.425 4.524 1.00 0.71 O ATOM 206 CB LEU A 15 6.818 -8.703 3.925 1.00 0.65 C ATOM 207 CG LEU A 15 7.831 -7.613 3.577 1.00 0.73 C ATOM 208 CD1 LEU A 15 7.124 -6.398 3.003 1.00 1.10 C ATOM 209 CD2 LEU A 15 8.638 -7.219 4.803 1.00 0.88 C ATOM 0 H LEU A 15 7.426 -10.821 2.503 1.00 0.61 H new ATOM 0 HA LEU A 15 8.212 -9.797 5.149 1.00 0.61 H new ATOM 0 HB2 LEU A 15 6.222 -8.918 3.038 1.00 0.65 H new ATOM 0 HB3 LEU A 15 6.136 -8.313 4.681 1.00 0.65 H new ATOM 0 HG LEU A 15 8.515 -8.009 2.826 1.00 0.73 H new ATOM 0 HD11 LEU A 15 7.859 -5.630 2.760 1.00 1.10 H new ATOM 0 HD12 LEU A 15 6.585 -6.684 2.099 1.00 1.10 H new ATOM 0 HD13 LEU A 15 6.419 -6.007 3.737 1.00 1.10 H new ATOM 0 HD21 LEU A 15 9.353 -6.442 4.533 1.00 0.88 H new ATOM 0 HD22 LEU A 15 7.967 -6.842 5.575 1.00 0.88 H new ATOM 0 HD23 LEU A 15 9.174 -8.090 5.181 1.00 0.88 H new ATOM 221 N GLU A 16 6.409 -10.808 6.484 1.00 0.65 N ATOM 222 CA GLU A 16 5.445 -11.505 7.325 1.00 0.72 C ATOM 223 C GLU A 16 4.427 -10.504 7.864 1.00 0.70 C ATOM 224 O GLU A 16 4.588 -9.296 7.685 1.00 0.70 O ATOM 225 CB GLU A 16 6.168 -12.201 8.486 1.00 0.83 C ATOM 226 CG GLU A 16 5.418 -13.395 9.060 1.00 1.28 C ATOM 227 CD GLU A 16 6.302 -14.288 9.902 1.00 1.56 C ATOM 228 OE1 GLU A 16 7.183 -14.969 9.334 1.00 2.16 O ATOM 229 OE2 GLU A 16 6.125 -14.316 11.138 1.00 2.16 O ATOM 0 H GLU A 16 7.136 -10.319 7.006 1.00 0.65 H new ATOM 0 HA GLU A 16 4.928 -12.261 6.734 1.00 0.72 H new ATOM 0 HB2 GLU A 16 7.148 -12.532 8.143 1.00 0.83 H new ATOM 0 HB3 GLU A 16 6.337 -11.475 9.282 1.00 0.83 H new ATOM 0 HG2 GLU A 16 4.585 -13.039 9.666 1.00 1.28 H new ATOM 0 HG3 GLU A 16 4.992 -13.978 8.244 1.00 1.28 H new ATOM 236 N ASP A 17 3.400 -10.998 8.547 1.00 0.77 N ATOM 237 CA ASP A 17 2.363 -10.132 9.111 1.00 0.82 C ATOM 238 C ASP A 17 2.826 -9.516 10.434 1.00 0.79 C ATOM 239 O ASP A 17 2.036 -9.305 11.355 1.00 1.05 O ATOM 240 CB ASP A 17 1.052 -10.910 9.308 1.00 1.00 C ATOM 241 CG ASP A 17 1.162 -12.014 10.341 1.00 1.27 C ATOM 242 OD1 ASP A 17 1.755 -13.068 10.031 1.00 1.94 O ATOM 243 OD2 ASP A 17 0.644 -11.842 11.465 1.00 1.78 O ATOM 0 H ASP A 17 3.261 -11.993 8.725 1.00 0.77 H new ATOM 0 HA ASP A 17 2.179 -9.323 8.404 1.00 0.82 H new ATOM 0 HB2 ASP A 17 0.267 -10.216 9.609 1.00 1.00 H new ATOM 0 HB3 ASP A 17 0.747 -11.342 8.355 1.00 1.00 H new ATOM 248 N SER A 18 4.107 -9.207 10.514 1.00 0.74 N ATOM 249 CA SER A 18 4.674 -8.613 11.708 1.00 0.75 C ATOM 250 C SER A 18 4.987 -7.145 11.453 1.00 0.69 C ATOM 251 O SER A 18 5.505 -6.784 10.390 1.00 0.78 O ATOM 252 CB SER A 18 5.941 -9.362 12.130 1.00 0.84 C ATOM 253 OG SER A 18 6.234 -9.146 13.500 1.00 1.61 O ATOM 0 H SER A 18 4.777 -9.359 9.760 1.00 0.74 H new ATOM 0 HA SER A 18 3.948 -8.687 12.518 1.00 0.75 H new ATOM 0 HB2 SER A 18 5.813 -10.429 11.947 1.00 0.84 H new ATOM 0 HB3 SER A 18 6.782 -9.032 11.520 1.00 0.84 H new ATOM 0 HG SER A 18 7.047 -9.637 13.742 1.00 1.61 H new ATOM 259 N GLN A 19 4.658 -6.305 12.424 1.00 0.76 N ATOM 260 CA GLN A 19 4.899 -4.869 12.316 1.00 0.79 C ATOM 261 C GLN A 19 6.379 -4.571 12.082 1.00 0.73 C ATOM 262 O GLN A 19 6.727 -3.764 11.221 1.00 0.73 O ATOM 263 CB GLN A 19 4.396 -4.115 13.561 1.00 1.04 C ATOM 264 CG GLN A 19 4.031 -5.000 14.751 1.00 1.45 C ATOM 265 CD GLN A 19 2.529 -5.197 14.911 1.00 2.07 C ATOM 266 OE1 GLN A 19 1.765 -5.178 13.936 1.00 2.64 O ATOM 267 NE2 GLN A 19 2.094 -5.386 16.148 1.00 2.54 N ATOM 0 H GLN A 19 4.222 -6.593 13.300 1.00 0.76 H new ATOM 0 HA GLN A 19 4.335 -4.515 11.453 1.00 0.79 H new ATOM 0 HB2 GLN A 19 5.166 -3.410 13.875 1.00 1.04 H new ATOM 0 HB3 GLN A 19 3.521 -3.528 13.282 1.00 1.04 H new ATOM 0 HG2 GLN A 19 4.508 -5.973 14.633 1.00 1.45 H new ATOM 0 HG3 GLN A 19 4.432 -4.557 15.662 1.00 1.45 H new ATOM 0 HE21 GLN A 19 2.755 -5.395 16.925 1.00 2.54 H new ATOM 0 HE22 GLN A 19 1.098 -5.522 16.323 1.00 2.54 H new ATOM 276 N GLU A 20 7.249 -5.249 12.821 1.00 0.80 N ATOM 277 CA GLU A 20 8.689 -5.038 12.691 1.00 0.87 C ATOM 278 C GLU A 20 9.185 -5.415 11.295 1.00 0.75 C ATOM 279 O GLU A 20 10.034 -4.727 10.721 1.00 0.80 O ATOM 280 CB GLU A 20 9.456 -5.826 13.754 1.00 1.09 C ATOM 281 CG GLU A 20 8.919 -7.226 13.996 1.00 1.59 C ATOM 282 CD GLU A 20 9.811 -8.031 14.909 1.00 2.23 C ATOM 283 OE1 GLU A 20 9.651 -7.933 16.143 1.00 2.99 O ATOM 284 OE2 GLU A 20 10.680 -8.769 14.402 1.00 2.69 O ATOM 0 H GLU A 20 6.985 -5.948 13.515 1.00 0.80 H new ATOM 0 HA GLU A 20 8.876 -3.975 12.843 1.00 0.87 H new ATOM 0 HB2 GLU A 20 10.502 -5.896 13.455 1.00 1.09 H new ATOM 0 HB3 GLU A 20 9.429 -5.271 14.692 1.00 1.09 H new ATOM 0 HG2 GLU A 20 7.922 -7.160 14.431 1.00 1.59 H new ATOM 0 HG3 GLU A 20 8.817 -7.744 13.042 1.00 1.59 H new ATOM 291 N SER A 21 8.646 -6.499 10.751 1.00 0.69 N ATOM 292 CA SER A 21 9.031 -6.961 9.424 1.00 0.67 C ATOM 293 C SER A 21 8.681 -5.912 8.374 1.00 0.54 C ATOM 294 O SER A 21 9.529 -5.518 7.571 1.00 0.58 O ATOM 295 CB SER A 21 8.335 -8.286 9.113 1.00 0.74 C ATOM 296 OG SER A 21 8.411 -9.161 10.223 1.00 1.10 O ATOM 0 H SER A 21 7.940 -7.075 11.209 1.00 0.69 H new ATOM 0 HA SER A 21 10.109 -7.118 9.403 1.00 0.67 H new ATOM 0 HB2 SER A 21 7.291 -8.104 8.858 1.00 0.74 H new ATOM 0 HB3 SER A 21 8.799 -8.752 8.244 1.00 0.74 H new ATOM 0 HG SER A 21 7.853 -9.949 10.057 1.00 1.10 H new ATOM 302 N ILE A 22 7.439 -5.442 8.404 1.00 0.47 N ATOM 303 CA ILE A 22 6.986 -4.429 7.460 1.00 0.42 C ATOM 304 C ILE A 22 7.774 -3.137 7.663 1.00 0.42 C ATOM 305 O ILE A 22 8.137 -2.460 6.702 1.00 0.42 O ATOM 306 CB ILE A 22 5.473 -4.140 7.611 1.00 0.47 C ATOM 307 CG1 ILE A 22 4.661 -5.436 7.527 1.00 0.53 C ATOM 308 CG2 ILE A 22 5.004 -3.155 6.548 1.00 0.54 C ATOM 309 CD1 ILE A 22 4.813 -6.171 6.214 1.00 0.88 C ATOM 0 H ILE A 22 6.730 -5.746 9.071 1.00 0.47 H new ATOM 0 HA ILE A 22 7.158 -4.815 6.455 1.00 0.42 H new ATOM 0 HB ILE A 22 5.312 -3.694 8.593 1.00 0.47 H new ATOM 0 HG12 ILE A 22 4.965 -6.097 8.339 1.00 0.53 H new ATOM 0 HG13 ILE A 22 3.607 -5.204 7.682 1.00 0.53 H new ATOM 0 HG21 ILE A 22 3.938 -2.966 6.672 1.00 0.54 H new ATOM 0 HG22 ILE A 22 5.553 -2.219 6.652 1.00 0.54 H new ATOM 0 HG23 ILE A 22 5.185 -3.574 5.558 1.00 0.54 H new ATOM 0 HD11 ILE A 22 4.208 -7.077 6.232 1.00 0.88 H new ATOM 0 HD12 ILE A 22 4.481 -5.530 5.397 1.00 0.88 H new ATOM 0 HD13 ILE A 22 5.860 -6.436 6.065 1.00 0.88 H new ATOM 321 N SER A 23 8.053 -2.818 8.923 1.00 0.46 N ATOM 322 CA SER A 23 8.808 -1.625 9.269 1.00 0.50 C ATOM 323 C SER A 23 10.201 -1.670 8.639 1.00 0.49 C ATOM 324 O SER A 23 10.698 -0.655 8.147 1.00 0.55 O ATOM 325 CB SER A 23 8.918 -1.498 10.792 1.00 0.59 C ATOM 326 OG SER A 23 9.666 -0.355 11.168 1.00 1.18 O ATOM 0 H SER A 23 7.763 -3.377 9.726 1.00 0.46 H new ATOM 0 HA SER A 23 8.282 -0.754 8.878 1.00 0.50 H new ATOM 0 HB2 SER A 23 7.920 -1.439 11.226 1.00 0.59 H new ATOM 0 HB3 SER A 23 9.390 -2.392 11.199 1.00 0.59 H new ATOM 0 HG SER A 23 9.715 -0.303 12.145 1.00 1.18 H new ATOM 332 N SER A 24 10.806 -2.853 8.636 1.00 0.50 N ATOM 333 CA SER A 24 12.139 -3.034 8.071 1.00 0.54 C ATOM 334 C SER A 24 12.148 -2.687 6.583 1.00 0.50 C ATOM 335 O SER A 24 13.033 -1.982 6.108 1.00 0.67 O ATOM 336 CB SER A 24 12.611 -4.475 8.284 1.00 0.62 C ATOM 337 OG SER A 24 12.508 -4.847 9.649 1.00 1.16 O ATOM 0 H SER A 24 10.393 -3.703 9.020 1.00 0.50 H new ATOM 0 HA SER A 24 12.825 -2.359 8.583 1.00 0.54 H new ATOM 0 HB2 SER A 24 12.013 -5.151 7.673 1.00 0.62 H new ATOM 0 HB3 SER A 24 13.645 -4.576 7.953 1.00 0.62 H new ATOM 0 HG SER A 24 11.563 -4.922 9.897 1.00 1.16 H new ATOM 343 N ALA A 25 11.147 -3.175 5.856 1.00 0.42 N ATOM 344 CA ALA A 25 11.049 -2.902 4.427 1.00 0.40 C ATOM 345 C ALA A 25 10.624 -1.461 4.179 1.00 0.36 C ATOM 346 O ALA A 25 11.050 -0.836 3.207 1.00 0.37 O ATOM 347 CB ALA A 25 10.078 -3.863 3.767 1.00 0.45 C ATOM 0 H ALA A 25 10.398 -3.757 6.230 1.00 0.42 H new ATOM 0 HA ALA A 25 12.035 -3.047 3.985 1.00 0.40 H new ATOM 0 HB1 ALA A 25 10.018 -3.644 2.701 1.00 0.45 H new ATOM 0 HB2 ALA A 25 10.426 -4.886 3.908 1.00 0.45 H new ATOM 0 HB3 ALA A 25 9.092 -3.750 4.217 1.00 0.45 H new ATOM 353 N SER A 26 9.784 -0.943 5.064 1.00 0.36 N ATOM 354 CA SER A 26 9.302 0.426 4.962 1.00 0.37 C ATOM 355 C SER A 26 10.461 1.406 5.079 1.00 0.36 C ATOM 356 O SER A 26 10.630 2.279 4.230 1.00 0.37 O ATOM 357 CB SER A 26 8.260 0.704 6.048 1.00 0.46 C ATOM 358 OG SER A 26 7.799 2.046 5.997 1.00 1.32 O ATOM 0 H SER A 26 9.420 -1.456 5.867 1.00 0.36 H new ATOM 0 HA SER A 26 8.833 0.558 3.987 1.00 0.37 H new ATOM 0 HB2 SER A 26 7.417 0.024 5.927 1.00 0.46 H new ATOM 0 HB3 SER A 26 8.693 0.504 7.028 1.00 0.46 H new ATOM 0 HG SER A 26 7.082 2.171 6.653 1.00 1.32 H new ATOM 364 N LYS A 27 11.276 1.238 6.118 1.00 0.39 N ATOM 365 CA LYS A 27 12.426 2.105 6.340 1.00 0.44 C ATOM 366 C LYS A 27 13.375 2.048 5.149 1.00 0.39 C ATOM 367 O LYS A 27 13.956 3.060 4.747 1.00 0.45 O ATOM 368 CB LYS A 27 13.167 1.693 7.613 1.00 0.53 C ATOM 369 CG LYS A 27 12.792 2.511 8.842 1.00 0.90 C ATOM 370 CD LYS A 27 11.369 2.232 9.308 1.00 1.41 C ATOM 371 CE LYS A 27 11.132 2.769 10.710 1.00 1.90 C ATOM 372 NZ LYS A 27 9.780 2.418 11.218 1.00 2.38 N ATOM 0 H LYS A 27 11.159 0.507 6.820 1.00 0.39 H new ATOM 0 HA LYS A 27 12.065 3.127 6.455 1.00 0.44 H new ATOM 0 HB2 LYS A 27 12.965 0.641 7.814 1.00 0.53 H new ATOM 0 HB3 LYS A 27 14.240 1.784 7.442 1.00 0.53 H new ATOM 0 HG2 LYS A 27 13.488 2.287 9.651 1.00 0.90 H new ATOM 0 HG3 LYS A 27 12.897 3.572 8.616 1.00 0.90 H new ATOM 0 HD2 LYS A 27 10.661 2.689 8.617 1.00 1.41 H new ATOM 0 HD3 LYS A 27 11.182 1.158 9.291 1.00 1.41 H new ATOM 0 HE2 LYS A 27 11.888 2.368 11.385 1.00 1.90 H new ATOM 0 HE3 LYS A 27 11.249 3.853 10.708 1.00 1.90 H new ATOM 0 HZ1 LYS A 27 9.646 2.831 12.163 1.00 2.38 H new ATOM 0 HZ2 LYS A 27 9.058 2.793 10.570 1.00 2.38 H new ATOM 0 HZ3 LYS A 27 9.689 1.384 11.277 1.00 2.38 H new ATOM 386 N TRP A 28 13.501 0.857 4.579 1.00 0.36 N ATOM 387 CA TRP A 28 14.365 0.639 3.433 1.00 0.38 C ATOM 388 C TRP A 28 13.841 1.389 2.211 1.00 0.35 C ATOM 389 O TRP A 28 14.616 1.956 1.439 1.00 0.43 O ATOM 390 CB TRP A 28 14.468 -0.855 3.126 1.00 0.42 C ATOM 391 CG TRP A 28 15.593 -1.187 2.198 1.00 0.54 C ATOM 392 CD1 TRP A 28 16.921 -0.968 2.415 1.00 0.73 C ATOM 393 CD2 TRP A 28 15.492 -1.791 0.905 1.00 0.62 C ATOM 394 NE1 TRP A 28 17.652 -1.393 1.335 1.00 0.86 N ATOM 395 CE2 TRP A 28 16.799 -1.910 0.399 1.00 0.79 C ATOM 396 CE3 TRP A 28 14.425 -2.245 0.128 1.00 0.70 C ATOM 397 CZ2 TRP A 28 17.067 -2.460 -0.850 1.00 0.94 C ATOM 398 CZ3 TRP A 28 14.692 -2.792 -1.111 1.00 0.89 C ATOM 399 CH2 TRP A 28 16.002 -2.899 -1.588 1.00 0.98 C ATOM 0 H TRP A 28 13.010 0.022 4.897 1.00 0.36 H new ATOM 0 HA TRP A 28 15.357 1.021 3.674 1.00 0.38 H new ATOM 0 HB2 TRP A 28 14.600 -1.403 4.059 1.00 0.42 H new ATOM 0 HB3 TRP A 28 13.530 -1.195 2.687 1.00 0.42 H new ATOM 0 HD1 TRP A 28 17.337 -0.524 3.308 1.00 0.73 H new ATOM 0 HE1 TRP A 28 18.666 -1.333 1.245 1.00 0.86 H new ATOM 0 HE3 TRP A 28 13.410 -2.170 0.489 1.00 0.70 H new ATOM 0 HZ2 TRP A 28 18.078 -2.538 -1.223 1.00 0.94 H new ATOM 0 HZ3 TRP A 28 13.874 -3.144 -1.723 1.00 0.89 H new ATOM 0 HH2 TRP A 28 16.177 -3.337 -2.559 1.00 0.98 H new ATOM 410 N LEU A 29 12.529 1.399 2.045 1.00 0.32 N ATOM 411 CA LEU A 29 11.916 2.080 0.913 1.00 0.35 C ATOM 412 C LEU A 29 11.911 3.591 1.121 1.00 0.36 C ATOM 413 O LEU A 29 12.091 4.356 0.176 1.00 0.39 O ATOM 414 CB LEU A 29 10.486 1.582 0.695 1.00 0.41 C ATOM 415 CG LEU A 29 10.049 1.492 -0.769 1.00 0.54 C ATOM 416 CD1 LEU A 29 10.821 0.394 -1.485 1.00 1.10 C ATOM 417 CD2 LEU A 29 8.552 1.242 -0.861 1.00 1.30 C ATOM 0 H LEU A 29 11.868 0.946 2.676 1.00 0.32 H new ATOM 0 HA LEU A 29 12.510 1.853 0.028 1.00 0.35 H new ATOM 0 HB2 LEU A 29 10.387 0.596 1.149 1.00 0.41 H new ATOM 0 HB3 LEU A 29 9.802 2.246 1.223 1.00 0.41 H new ATOM 0 HG LEU A 29 10.269 2.441 -1.257 1.00 0.54 H new ATOM 0 HD11 LEU A 29 10.499 0.342 -2.525 1.00 1.10 H new ATOM 0 HD12 LEU A 29 11.888 0.614 -1.446 1.00 1.10 H new ATOM 0 HD13 LEU A 29 10.630 -0.562 -0.998 1.00 1.10 H new ATOM 0 HD21 LEU A 29 8.257 1.181 -1.909 1.00 1.30 H new ATOM 0 HD22 LEU A 29 8.308 0.305 -0.360 1.00 1.30 H new ATOM 0 HD23 LEU A 29 8.016 2.061 -0.381 1.00 1.30 H new ATOM 429 N LEU A 30 11.727 4.010 2.367 1.00 0.38 N ATOM 430 CA LEU A 30 11.684 5.428 2.716 1.00 0.44 C ATOM 431 C LEU A 30 12.983 6.151 2.361 1.00 0.48 C ATOM 432 O LEU A 30 12.965 7.333 2.016 1.00 0.60 O ATOM 433 CB LEU A 30 11.395 5.593 4.213 1.00 0.51 C ATOM 434 CG LEU A 30 9.964 5.265 4.641 1.00 0.72 C ATOM 435 CD1 LEU A 30 9.854 5.242 6.158 1.00 1.06 C ATOM 436 CD2 LEU A 30 8.987 6.269 4.044 1.00 1.00 C ATOM 0 H LEU A 30 11.604 3.382 3.161 1.00 0.38 H new ATOM 0 HA LEU A 30 10.883 5.880 2.131 1.00 0.44 H new ATOM 0 HB2 LEU A 30 12.079 4.954 4.771 1.00 0.51 H new ATOM 0 HB3 LEU A 30 11.615 6.622 4.498 1.00 0.51 H new ATOM 0 HG LEU A 30 9.708 4.274 4.266 1.00 0.72 H new ATOM 0 HD11 LEU A 30 8.829 5.007 6.445 1.00 1.06 H new ATOM 0 HD12 LEU A 30 10.526 4.484 6.560 1.00 1.06 H new ATOM 0 HD13 LEU A 30 10.128 6.218 6.558 1.00 1.06 H new ATOM 0 HD21 LEU A 30 7.973 6.021 4.358 1.00 1.00 H new ATOM 0 HD22 LEU A 30 9.239 7.272 4.389 1.00 1.00 H new ATOM 0 HD23 LEU A 30 9.048 6.234 2.956 1.00 1.00 H new ATOM 448 N LEU A 31 14.107 5.446 2.435 1.00 0.45 N ATOM 449 CA LEU A 31 15.395 6.059 2.127 1.00 0.53 C ATOM 450 C LEU A 31 15.610 6.165 0.618 1.00 0.54 C ATOM 451 O LEU A 31 16.319 7.053 0.149 1.00 0.70 O ATOM 452 CB LEU A 31 16.554 5.291 2.792 1.00 0.58 C ATOM 453 CG LEU A 31 16.867 3.907 2.218 1.00 1.12 C ATOM 454 CD1 LEU A 31 18.005 3.984 1.211 1.00 1.59 C ATOM 455 CD2 LEU A 31 17.210 2.936 3.333 1.00 1.71 C ATOM 0 H LEU A 31 14.154 4.463 2.702 1.00 0.45 H new ATOM 0 HA LEU A 31 15.383 7.069 2.537 1.00 0.53 H new ATOM 0 HB2 LEU A 31 17.454 5.902 2.722 1.00 0.58 H new ATOM 0 HB3 LEU A 31 16.326 5.178 3.852 1.00 0.58 H new ATOM 0 HG LEU A 31 15.979 3.543 1.701 1.00 1.12 H new ATOM 0 HD11 LEU A 31 18.210 2.989 0.817 1.00 1.59 H new ATOM 0 HD12 LEU A 31 17.723 4.647 0.393 1.00 1.59 H new ATOM 0 HD13 LEU A 31 18.899 4.371 1.701 1.00 1.59 H new ATOM 0 HD21 LEU A 31 17.430 1.957 2.908 1.00 1.71 H new ATOM 0 HD22 LEU A 31 18.082 3.300 3.877 1.00 1.71 H new ATOM 0 HD23 LEU A 31 16.365 2.853 4.016 1.00 1.71 H new ATOM 467 N GLN A 32 14.981 5.281 -0.147 1.00 0.49 N ATOM 468 CA GLN A 32 15.134 5.300 -1.598 1.00 0.56 C ATOM 469 C GLN A 32 13.962 6.026 -2.254 1.00 0.48 C ATOM 470 O GLN A 32 13.373 5.554 -3.226 1.00 0.53 O ATOM 471 CB GLN A 32 15.287 3.874 -2.151 1.00 0.69 C ATOM 472 CG GLN A 32 14.141 2.937 -1.812 1.00 0.80 C ATOM 473 CD GLN A 32 14.481 1.482 -2.077 1.00 1.09 C ATOM 474 OE1 GLN A 32 14.283 0.969 -3.178 1.00 1.51 O ATOM 475 NE2 GLN A 32 14.997 0.807 -1.063 1.00 1.25 N ATOM 0 H GLN A 32 14.366 4.549 0.208 1.00 0.49 H new ATOM 0 HA GLN A 32 16.045 5.848 -1.839 1.00 0.56 H new ATOM 0 HB2 GLN A 32 15.386 3.928 -3.235 1.00 0.69 H new ATOM 0 HB3 GLN A 32 16.213 3.447 -1.767 1.00 0.69 H new ATOM 0 HG2 GLN A 32 13.875 3.059 -0.762 1.00 0.80 H new ATOM 0 HG3 GLN A 32 13.264 3.214 -2.397 1.00 0.80 H new ATOM 0 HE21 GLN A 32 15.146 1.269 -0.166 1.00 1.25 H new ATOM 0 HE22 GLN A 32 15.246 -0.175 -1.178 1.00 1.25 H new ATOM 484 N TYR A 33 13.656 7.208 -1.729 1.00 0.47 N ATOM 485 CA TYR A 33 12.558 8.027 -2.239 1.00 0.47 C ATOM 486 C TYR A 33 12.889 8.615 -3.611 1.00 0.46 C ATOM 487 O TYR A 33 12.052 9.275 -4.230 1.00 0.50 O ATOM 488 CB TYR A 33 12.218 9.151 -1.249 1.00 0.57 C ATOM 489 CG TYR A 33 13.409 9.987 -0.828 1.00 0.70 C ATOM 490 CD1 TYR A 33 14.179 9.629 0.272 1.00 1.35 C ATOM 491 CD2 TYR A 33 13.764 11.133 -1.529 1.00 1.41 C ATOM 492 CE1 TYR A 33 15.266 10.383 0.656 1.00 1.55 C ATOM 493 CE2 TYR A 33 14.853 11.891 -1.150 1.00 1.59 C ATOM 494 CZ TYR A 33 15.599 11.512 -0.056 1.00 1.27 C ATOM 495 OH TYR A 33 16.690 12.259 0.322 1.00 1.61 O ATOM 0 H TYR A 33 14.157 7.624 -0.944 1.00 0.47 H new ATOM 0 HA TYR A 33 11.689 7.379 -2.351 1.00 0.47 H new ATOM 0 HB2 TYR A 33 11.471 9.804 -1.700 1.00 0.57 H new ATOM 0 HB3 TYR A 33 11.763 8.713 -0.361 1.00 0.57 H new ATOM 0 HD1 TYR A 33 13.921 8.745 0.835 1.00 1.35 H new ATOM 0 HD2 TYR A 33 13.178 11.435 -2.384 1.00 1.41 H new ATOM 0 HE1 TYR A 33 15.854 10.089 1.513 1.00 1.55 H new ATOM 0 HE2 TYR A 33 15.119 12.777 -1.708 1.00 1.59 H new ATOM 0 HH TYR A 33 16.790 13.023 -0.284 1.00 1.61 H new ATOM 505 N ARG A 34 14.108 8.381 -4.081 1.00 0.47 N ATOM 506 CA ARG A 34 14.522 8.880 -5.387 1.00 0.53 C ATOM 507 C ARG A 34 13.790 8.105 -6.473 1.00 0.48 C ATOM 508 O ARG A 34 13.507 8.622 -7.551 1.00 0.56 O ATOM 509 CB ARG A 34 16.034 8.742 -5.585 1.00 0.64 C ATOM 510 CG ARG A 34 16.861 9.080 -4.357 1.00 1.12 C ATOM 511 CD ARG A 34 18.339 8.855 -4.625 1.00 1.55 C ATOM 512 NE ARG A 34 19.161 9.019 -3.429 1.00 2.28 N ATOM 513 CZ ARG A 34 20.493 8.998 -3.438 1.00 2.92 C ATOM 514 NH1 ARG A 34 21.149 8.827 -4.580 1.00 2.94 N ATOM 515 NH2 ARG A 34 21.167 9.147 -2.306 1.00 3.97 N ATOM 0 H ARG A 34 14.823 7.852 -3.582 1.00 0.47 H new ATOM 0 HA ARG A 34 14.272 9.939 -5.446 1.00 0.53 H new ATOM 0 HB2 ARG A 34 16.257 7.719 -5.888 1.00 0.64 H new ATOM 0 HB3 ARG A 34 16.341 9.391 -6.405 1.00 0.64 H new ATOM 0 HG2 ARG A 34 16.692 10.119 -4.074 1.00 1.12 H new ATOM 0 HG3 ARG A 34 16.541 8.464 -3.516 1.00 1.12 H new ATOM 0 HD2 ARG A 34 18.483 7.851 -5.025 1.00 1.55 H new ATOM 0 HD3 ARG A 34 18.676 9.554 -5.391 1.00 1.55 H new ATOM 0 HE ARG A 34 18.688 9.158 -2.536 1.00 2.28 H new ATOM 0 HH11 ARG A 34 20.633 8.711 -5.452 1.00 2.94 H new ATOM 0 HH12 ARG A 34 22.169 8.811 -4.585 1.00 2.94 H new ATOM 0 HH21 ARG A 34 20.666 9.278 -1.427 1.00 3.97 H new ATOM 0 HH22 ARG A 34 22.187 9.131 -2.314 1.00 3.97 H new ATOM 529 N ASP A 35 13.479 6.855 -6.162 1.00 0.46 N ATOM 530 CA ASP A 35 12.773 5.990 -7.090 1.00 0.50 C ATOM 531 C ASP A 35 11.343 5.775 -6.619 1.00 0.41 C ATOM 532 O ASP A 35 10.753 4.719 -6.851 1.00 0.38 O ATOM 533 CB ASP A 35 13.492 4.647 -7.228 1.00 0.68 C ATOM 534 CG ASP A 35 14.129 4.480 -8.590 1.00 1.04 C ATOM 535 OD1 ASP A 35 13.563 4.983 -9.584 1.00 1.58 O ATOM 536 OD2 ASP A 35 15.204 3.853 -8.677 1.00 1.70 O ATOM 0 H ASP A 35 13.707 6.417 -5.269 1.00 0.46 H new ATOM 0 HA ASP A 35 12.755 6.472 -8.067 1.00 0.50 H new ATOM 0 HB2 ASP A 35 14.259 4.566 -6.457 1.00 0.68 H new ATOM 0 HB3 ASP A 35 12.782 3.837 -7.058 1.00 0.68 H new ATOM 541 N ALA A 36 10.792 6.796 -5.962 1.00 0.40 N ATOM 542 CA ALA A 36 9.423 6.751 -5.447 1.00 0.37 C ATOM 543 C ALA A 36 8.413 6.330 -6.526 1.00 0.32 C ATOM 544 O ALA A 36 7.627 5.414 -6.299 1.00 0.33 O ATOM 545 CB ALA A 36 9.030 8.092 -4.834 1.00 0.43 C ATOM 0 H ALA A 36 11.278 7.672 -5.773 1.00 0.40 H new ATOM 0 HA ALA A 36 9.398 5.991 -4.666 1.00 0.37 H new ATOM 0 HB1 ALA A 36 8.009 8.035 -4.458 1.00 0.43 H new ATOM 0 HB2 ALA A 36 9.706 8.329 -4.013 1.00 0.43 H new ATOM 0 HB3 ALA A 36 9.094 8.872 -5.593 1.00 0.43 H new ATOM 551 N PRO A 37 8.405 6.980 -7.717 1.00 0.35 N ATOM 552 CA PRO A 37 7.475 6.609 -8.788 1.00 0.37 C ATOM 553 C PRO A 37 7.739 5.197 -9.305 1.00 0.35 C ATOM 554 O PRO A 37 6.815 4.486 -9.692 1.00 0.42 O ATOM 555 CB PRO A 37 7.747 7.641 -9.890 1.00 0.46 C ATOM 556 CG PRO A 37 9.118 8.146 -9.608 1.00 0.50 C ATOM 557 CD PRO A 37 9.259 8.119 -8.114 1.00 0.42 C ATOM 0 HA PRO A 37 6.440 6.608 -8.445 1.00 0.37 H new ATOM 0 HB2 PRO A 37 7.688 7.188 -10.880 1.00 0.46 H new ATOM 0 HB3 PRO A 37 7.015 8.448 -9.865 1.00 0.46 H new ATOM 0 HG2 PRO A 37 9.872 7.519 -10.084 1.00 0.50 H new ATOM 0 HG3 PRO A 37 9.251 9.156 -9.996 1.00 0.50 H new ATOM 0 HD2 PRO A 37 10.295 7.971 -7.810 1.00 0.42 H new ATOM 0 HD3 PRO A 37 8.923 9.052 -7.661 1.00 0.42 H new ATOM 565 N LYS A 38 9.006 4.791 -9.264 1.00 0.34 N ATOM 566 CA LYS A 38 9.416 3.473 -9.738 1.00 0.36 C ATOM 567 C LYS A 38 8.859 2.368 -8.848 1.00 0.34 C ATOM 568 O LYS A 38 8.303 1.387 -9.337 1.00 0.39 O ATOM 569 CB LYS A 38 10.939 3.381 -9.778 1.00 0.41 C ATOM 570 CG LYS A 38 11.481 2.395 -10.803 1.00 0.60 C ATOM 571 CD LYS A 38 11.272 2.877 -12.235 1.00 1.32 C ATOM 572 CE LYS A 38 11.927 4.229 -12.485 1.00 2.00 C ATOM 573 NZ LYS A 38 13.369 4.238 -12.114 1.00 2.78 N ATOM 0 H LYS A 38 9.771 5.362 -8.904 1.00 0.34 H new ATOM 0 HA LYS A 38 9.016 3.339 -10.743 1.00 0.36 H new ATOM 0 HB2 LYS A 38 11.345 4.370 -9.992 1.00 0.41 H new ATOM 0 HB3 LYS A 38 11.300 3.095 -8.790 1.00 0.41 H new ATOM 0 HG2 LYS A 38 12.545 2.238 -10.626 1.00 0.60 H new ATOM 0 HG3 LYS A 38 10.991 1.431 -10.671 1.00 0.60 H new ATOM 0 HD2 LYS A 38 11.682 2.142 -12.928 1.00 1.32 H new ATOM 0 HD3 LYS A 38 10.204 2.948 -12.441 1.00 1.32 H new ATOM 0 HE2 LYS A 38 11.824 4.491 -13.538 1.00 2.00 H new ATOM 0 HE3 LYS A 38 11.403 4.995 -11.914 1.00 2.00 H new ATOM 0 HZ1 LYS A 38 13.810 5.116 -12.456 1.00 2.78 H new ATOM 0 HZ2 LYS A 38 13.462 4.184 -11.080 1.00 2.78 H new ATOM 0 HZ3 LYS A 38 13.844 3.420 -12.547 1.00 2.78 H new ATOM 587 N VAL A 39 9.005 2.525 -7.539 1.00 0.31 N ATOM 588 CA VAL A 39 8.502 1.523 -6.609 1.00 0.31 C ATOM 589 C VAL A 39 6.977 1.567 -6.556 1.00 0.29 C ATOM 590 O VAL A 39 6.329 0.556 -6.293 1.00 0.31 O ATOM 591 CB VAL A 39 9.089 1.681 -5.186 1.00 0.34 C ATOM 592 CG1 VAL A 39 10.592 1.453 -5.205 1.00 0.39 C ATOM 593 CG2 VAL A 39 8.762 3.045 -4.596 1.00 0.33 C ATOM 0 H VAL A 39 9.461 3.325 -7.101 1.00 0.31 H new ATOM 0 HA VAL A 39 8.827 0.552 -6.983 1.00 0.31 H new ATOM 0 HB VAL A 39 8.627 0.927 -4.549 1.00 0.34 H new ATOM 0 HG11 VAL A 39 10.990 1.568 -4.197 1.00 0.39 H new ATOM 0 HG12 VAL A 39 10.803 0.446 -5.566 1.00 0.39 H new ATOM 0 HG13 VAL A 39 11.062 2.181 -5.866 1.00 0.39 H new ATOM 0 HG21 VAL A 39 9.190 3.121 -3.596 1.00 0.33 H new ATOM 0 HG22 VAL A 39 9.181 3.826 -5.230 1.00 0.33 H new ATOM 0 HG23 VAL A 39 7.680 3.167 -4.538 1.00 0.33 H new ATOM 603 N ALA A 40 6.414 2.740 -6.833 1.00 0.27 N ATOM 604 CA ALA A 40 4.967 2.913 -6.834 1.00 0.28 C ATOM 605 C ALA A 40 4.345 2.183 -8.018 1.00 0.28 C ATOM 606 O ALA A 40 3.363 1.454 -7.866 1.00 0.29 O ATOM 607 CB ALA A 40 4.605 4.391 -6.866 1.00 0.32 C ATOM 0 H ALA A 40 6.939 3.584 -7.060 1.00 0.27 H new ATOM 0 HA ALA A 40 4.567 2.483 -5.916 1.00 0.28 H new ATOM 0 HB1 ALA A 40 3.520 4.500 -6.866 1.00 0.32 H new ATOM 0 HB2 ALA A 40 5.019 4.886 -5.988 1.00 0.32 H new ATOM 0 HB3 ALA A 40 5.016 4.847 -7.767 1.00 0.32 H new ATOM 613 N GLU A 41 4.927 2.376 -9.200 1.00 0.31 N ATOM 614 CA GLU A 41 4.429 1.724 -10.399 1.00 0.36 C ATOM 615 C GLU A 41 4.684 0.221 -10.320 1.00 0.35 C ATOM 616 O GLU A 41 3.863 -0.580 -10.760 1.00 0.38 O ATOM 617 CB GLU A 41 5.071 2.324 -11.661 1.00 0.44 C ATOM 618 CG GLU A 41 6.571 2.103 -11.764 1.00 0.52 C ATOM 619 CD GLU A 41 7.196 2.846 -12.925 1.00 0.74 C ATOM 620 OE1 GLU A 41 6.995 2.419 -14.082 1.00 1.40 O ATOM 621 OE2 GLU A 41 7.883 3.863 -12.691 1.00 1.37 O ATOM 0 H GLU A 41 5.739 2.976 -9.348 1.00 0.31 H new ATOM 0 HA GLU A 41 3.354 1.893 -10.464 1.00 0.36 H new ATOM 0 HB2 GLU A 41 4.591 1.893 -12.539 1.00 0.44 H new ATOM 0 HB3 GLU A 41 4.871 3.395 -11.682 1.00 0.44 H new ATOM 0 HG2 GLU A 41 7.045 2.423 -10.836 1.00 0.52 H new ATOM 0 HG3 GLU A 41 6.770 1.037 -11.872 1.00 0.52 H new ATOM 628 N MET A 42 5.819 -0.150 -9.728 1.00 0.35 N ATOM 629 CA MET A 42 6.186 -1.553 -9.571 1.00 0.40 C ATOM 630 C MET A 42 5.188 -2.257 -8.660 1.00 0.35 C ATOM 631 O MET A 42 4.760 -3.378 -8.937 1.00 0.35 O ATOM 632 CB MET A 42 7.595 -1.669 -8.985 1.00 0.51 C ATOM 633 CG MET A 42 8.376 -2.869 -9.494 1.00 1.09 C ATOM 634 SD MET A 42 9.972 -3.063 -8.671 1.00 0.98 S ATOM 635 CE MET A 42 10.679 -1.429 -8.894 1.00 1.51 C ATOM 0 H MET A 42 6.501 0.506 -9.349 1.00 0.35 H new ATOM 0 HA MET A 42 6.170 -2.029 -10.551 1.00 0.40 H new ATOM 0 HB2 MET A 42 8.151 -0.761 -9.218 1.00 0.51 H new ATOM 0 HB3 MET A 42 7.523 -1.729 -7.899 1.00 0.51 H new ATOM 0 HG2 MET A 42 7.784 -3.772 -9.346 1.00 1.09 H new ATOM 0 HG3 MET A 42 8.536 -2.765 -10.567 1.00 1.09 H new ATOM 0 HE1 MET A 42 11.766 -1.505 -8.930 1.00 1.51 H new ATOM 0 HE2 MET A 42 10.314 -0.999 -9.827 1.00 1.51 H new ATOM 0 HE3 MET A 42 10.387 -0.790 -8.061 1.00 1.51 H new ATOM 645 N TRP A 43 4.824 -1.577 -7.579 1.00 0.32 N ATOM 646 CA TRP A 43 3.868 -2.098 -6.606 1.00 0.30 C ATOM 647 C TRP A 43 2.519 -2.370 -7.268 1.00 0.27 C ATOM 648 O TRP A 43 1.974 -3.473 -7.171 1.00 0.28 O ATOM 649 CB TRP A 43 3.709 -1.083 -5.466 1.00 0.30 C ATOM 650 CG TRP A 43 2.637 -1.421 -4.474 1.00 0.30 C ATOM 651 CD1 TRP A 43 2.678 -2.395 -3.518 1.00 0.34 C ATOM 652 CD2 TRP A 43 1.365 -0.773 -4.336 1.00 0.31 C ATOM 653 NE1 TRP A 43 1.507 -2.397 -2.798 1.00 0.37 N ATOM 654 CE2 TRP A 43 0.688 -1.410 -3.280 1.00 0.35 C ATOM 655 CE3 TRP A 43 0.734 0.283 -5.002 1.00 0.34 C ATOM 656 CZ2 TRP A 43 -0.590 -1.026 -2.876 1.00 0.40 C ATOM 657 CZ3 TRP A 43 -0.532 0.662 -4.600 1.00 0.39 C ATOM 658 CH2 TRP A 43 -1.181 0.010 -3.546 1.00 0.41 C ATOM 0 H TRP A 43 5.182 -0.650 -7.351 1.00 0.32 H new ATOM 0 HA TRP A 43 4.241 -3.041 -6.205 1.00 0.30 H new ATOM 0 HB2 TRP A 43 4.659 -0.997 -4.939 1.00 0.30 H new ATOM 0 HB3 TRP A 43 3.493 -0.105 -5.896 1.00 0.30 H new ATOM 0 HD1 TRP A 43 3.508 -3.065 -3.352 1.00 0.34 H new ATOM 0 HE1 TRP A 43 1.284 -3.030 -2.030 1.00 0.37 H new ATOM 0 HE3 TRP A 43 1.228 0.793 -5.816 1.00 0.34 H new ATOM 0 HZ2 TRP A 43 -1.095 -1.528 -2.064 1.00 0.40 H new ATOM 0 HZ3 TRP A 43 -1.029 1.475 -5.108 1.00 0.39 H new ATOM 0 HH2 TRP A 43 -2.170 0.332 -3.255 1.00 0.41 H new ATOM 669 N LYS A 44 2.006 -1.362 -7.960 1.00 0.27 N ATOM 670 CA LYS A 44 0.721 -1.464 -8.640 1.00 0.28 C ATOM 671 C LYS A 44 0.732 -2.562 -9.704 1.00 0.30 C ATOM 672 O LYS A 44 -0.149 -3.421 -9.729 1.00 0.31 O ATOM 673 CB LYS A 44 0.364 -0.124 -9.289 1.00 0.32 C ATOM 674 CG LYS A 44 -0.988 -0.122 -9.986 1.00 0.46 C ATOM 675 CD LYS A 44 -0.971 0.731 -11.247 1.00 0.66 C ATOM 676 CE LYS A 44 -0.081 0.119 -12.319 1.00 1.03 C ATOM 677 NZ LYS A 44 -0.262 0.768 -13.642 1.00 1.11 N ATOM 0 H LYS A 44 2.464 -0.457 -8.066 1.00 0.27 H new ATOM 0 HA LYS A 44 -0.029 -1.724 -7.893 1.00 0.28 H new ATOM 0 HB2 LYS A 44 0.370 0.653 -8.524 1.00 0.32 H new ATOM 0 HB3 LYS A 44 1.136 0.136 -10.013 1.00 0.32 H new ATOM 0 HG2 LYS A 44 -1.267 -1.144 -10.242 1.00 0.46 H new ATOM 0 HG3 LYS A 44 -1.749 0.254 -9.302 1.00 0.46 H new ATOM 0 HD2 LYS A 44 -1.986 0.836 -11.631 1.00 0.66 H new ATOM 0 HD3 LYS A 44 -0.616 1.733 -11.006 1.00 0.66 H new ATOM 0 HE2 LYS A 44 0.962 0.205 -12.014 1.00 1.03 H new ATOM 0 HE3 LYS A 44 -0.301 -0.945 -12.406 1.00 1.03 H new ATOM 0 HZ1 LYS A 44 0.114 0.148 -14.387 1.00 1.11 H new ATOM 0 HZ2 LYS A 44 -1.274 0.937 -13.810 1.00 1.11 H new ATOM 0 HZ3 LYS A 44 0.248 1.674 -13.657 1.00 1.11 H new ATOM 691 N GLU A 45 1.745 -2.537 -10.567 1.00 0.35 N ATOM 692 CA GLU A 45 1.866 -3.510 -11.651 1.00 0.41 C ATOM 693 C GLU A 45 1.995 -4.939 -11.127 1.00 0.40 C ATOM 694 O GLU A 45 1.505 -5.881 -11.752 1.00 0.46 O ATOM 695 CB GLU A 45 3.069 -3.165 -12.532 1.00 0.51 C ATOM 696 CG GLU A 45 2.810 -2.008 -13.484 1.00 0.73 C ATOM 697 CD GLU A 45 1.729 -2.316 -14.501 1.00 1.21 C ATOM 698 OE1 GLU A 45 1.672 -3.462 -14.987 1.00 1.96 O ATOM 699 OE2 GLU A 45 0.924 -1.410 -14.820 1.00 1.76 O ATOM 0 H GLU A 45 2.498 -1.850 -10.536 1.00 0.35 H new ATOM 0 HA GLU A 45 0.952 -3.458 -12.242 1.00 0.41 H new ATOM 0 HB2 GLU A 45 3.918 -2.918 -11.894 1.00 0.51 H new ATOM 0 HB3 GLU A 45 3.351 -4.045 -13.110 1.00 0.51 H new ATOM 0 HG2 GLU A 45 2.522 -1.128 -12.909 1.00 0.73 H new ATOM 0 HG3 GLU A 45 3.734 -1.759 -14.006 1.00 0.73 H new ATOM 706 N TYR A 46 2.645 -5.098 -9.980 1.00 0.39 N ATOM 707 CA TYR A 46 2.834 -6.413 -9.387 1.00 0.42 C ATOM 708 C TYR A 46 1.534 -6.931 -8.780 1.00 0.40 C ATOM 709 O TYR A 46 1.166 -8.085 -8.981 1.00 0.45 O ATOM 710 CB TYR A 46 3.930 -6.366 -8.317 1.00 0.45 C ATOM 711 CG TYR A 46 4.298 -7.719 -7.746 1.00 0.59 C ATOM 712 CD1 TYR A 46 4.834 -8.715 -8.553 1.00 1.39 C ATOM 713 CD2 TYR A 46 4.119 -7.994 -6.397 1.00 1.06 C ATOM 714 CE1 TYR A 46 5.182 -9.948 -8.030 1.00 1.58 C ATOM 715 CE2 TYR A 46 4.463 -9.223 -5.866 1.00 1.12 C ATOM 716 CZ TYR A 46 4.994 -10.196 -6.686 1.00 1.03 C ATOM 717 OH TYR A 46 5.347 -11.420 -6.161 1.00 1.27 O ATOM 0 H TYR A 46 3.050 -4.331 -9.443 1.00 0.39 H new ATOM 0 HA TYR A 46 3.141 -7.097 -10.178 1.00 0.42 H new ATOM 0 HB2 TYR A 46 4.822 -5.911 -8.747 1.00 0.45 H new ATOM 0 HB3 TYR A 46 3.601 -5.718 -7.504 1.00 0.45 H new ATOM 0 HD1 TYR A 46 4.981 -8.524 -9.606 1.00 1.39 H new ATOM 0 HD2 TYR A 46 3.704 -7.234 -5.751 1.00 1.06 H new ATOM 0 HE1 TYR A 46 5.598 -10.712 -8.670 1.00 1.58 H new ATOM 0 HE2 TYR A 46 4.317 -9.420 -4.814 1.00 1.12 H new ATOM 0 HH TYR A 46 5.920 -11.896 -6.798 1.00 1.27 H new ATOM 727 N MET A 47 0.827 -6.071 -8.057 1.00 0.36 N ATOM 728 CA MET A 47 -0.426 -6.465 -7.412 1.00 0.39 C ATOM 729 C MET A 47 -1.545 -6.694 -8.427 1.00 0.37 C ATOM 730 O MET A 47 -2.586 -7.265 -8.093 1.00 0.43 O ATOM 731 CB MET A 47 -0.853 -5.424 -6.378 1.00 0.42 C ATOM 732 CG MET A 47 -0.086 -5.528 -5.071 1.00 0.57 C ATOM 733 SD MET A 47 -0.805 -4.533 -3.752 1.00 0.70 S ATOM 734 CE MET A 47 -2.393 -5.333 -3.534 1.00 0.37 C ATOM 0 H MET A 47 1.096 -5.099 -7.901 1.00 0.36 H new ATOM 0 HA MET A 47 -0.242 -7.412 -6.905 1.00 0.39 H new ATOM 0 HB2 MET A 47 -0.712 -4.427 -6.796 1.00 0.42 H new ATOM 0 HB3 MET A 47 -1.918 -5.537 -6.177 1.00 0.42 H new ATOM 0 HG2 MET A 47 -0.055 -6.571 -4.756 1.00 0.57 H new ATOM 0 HG3 MET A 47 0.945 -5.214 -5.235 1.00 0.57 H new ATOM 0 HE1 MET A 47 -2.672 -5.307 -2.481 1.00 0.37 H new ATOM 0 HE2 MET A 47 -3.147 -4.810 -4.122 1.00 0.37 H new ATOM 0 HE3 MET A 47 -2.327 -6.369 -3.867 1.00 0.37 H new ATOM 744 N LEU A 48 -1.333 -6.254 -9.660 1.00 0.37 N ATOM 745 CA LEU A 48 -2.328 -6.433 -10.712 1.00 0.41 C ATOM 746 C LEU A 48 -2.060 -7.717 -11.492 1.00 0.46 C ATOM 747 O LEU A 48 -2.768 -8.037 -12.447 1.00 0.59 O ATOM 748 CB LEU A 48 -2.342 -5.228 -11.657 1.00 0.45 C ATOM 749 CG LEU A 48 -2.993 -3.965 -11.089 1.00 0.57 C ATOM 750 CD1 LEU A 48 -2.920 -2.828 -12.097 1.00 0.63 C ATOM 751 CD2 LEU A 48 -4.440 -4.234 -10.697 1.00 0.88 C ATOM 0 H LEU A 48 -0.485 -5.772 -9.957 1.00 0.37 H new ATOM 0 HA LEU A 48 -3.308 -6.512 -10.242 1.00 0.41 H new ATOM 0 HB2 LEU A 48 -1.315 -4.994 -11.937 1.00 0.45 H new ATOM 0 HB3 LEU A 48 -2.866 -5.509 -12.571 1.00 0.45 H new ATOM 0 HG LEU A 48 -2.444 -3.672 -10.194 1.00 0.57 H new ATOM 0 HD11 LEU A 48 -3.388 -1.938 -11.676 1.00 0.63 H new ATOM 0 HD12 LEU A 48 -1.877 -2.614 -12.329 1.00 0.63 H new ATOM 0 HD13 LEU A 48 -3.443 -3.116 -13.009 1.00 0.63 H new ATOM 0 HD21 LEU A 48 -4.884 -3.323 -10.296 1.00 0.88 H new ATOM 0 HD22 LEU A 48 -5.001 -4.555 -11.575 1.00 0.88 H new ATOM 0 HD23 LEU A 48 -4.472 -5.017 -9.940 1.00 0.88 H new ATOM 763 N ARG A 49 -1.038 -8.451 -11.074 1.00 0.46 N ATOM 764 CA ARG A 49 -0.684 -9.704 -11.724 1.00 0.53 C ATOM 765 C ARG A 49 -1.462 -10.863 -11.107 1.00 0.54 C ATOM 766 O ARG A 49 -1.585 -10.954 -9.885 1.00 0.49 O ATOM 767 CB ARG A 49 0.820 -9.967 -11.607 1.00 0.60 C ATOM 768 CG ARG A 49 1.647 -9.265 -12.669 1.00 0.74 C ATOM 769 CD ARG A 49 3.136 -9.447 -12.425 1.00 1.01 C ATOM 770 NE ARG A 49 3.542 -10.856 -12.460 1.00 1.38 N ATOM 771 CZ ARG A 49 4.806 -11.270 -12.351 1.00 1.90 C ATOM 772 NH1 ARG A 49 5.787 -10.389 -12.213 1.00 2.19 N ATOM 773 NH2 ARG A 49 5.089 -12.567 -12.385 1.00 2.69 N ATOM 0 H ARG A 49 -0.440 -8.200 -10.287 1.00 0.46 H new ATOM 0 HA ARG A 49 -0.945 -9.624 -12.779 1.00 0.53 H new ATOM 0 HB2 ARG A 49 1.161 -9.646 -10.623 1.00 0.60 H new ATOM 0 HB3 ARG A 49 0.998 -11.040 -11.671 1.00 0.60 H new ATOM 0 HG2 ARG A 49 1.388 -9.658 -13.652 1.00 0.74 H new ATOM 0 HG3 ARG A 49 1.406 -8.202 -12.676 1.00 0.74 H new ATOM 0 HD2 ARG A 49 3.695 -8.892 -13.179 1.00 1.01 H new ATOM 0 HD3 ARG A 49 3.397 -9.021 -11.456 1.00 1.01 H new ATOM 0 HE ARG A 49 2.815 -11.562 -12.575 1.00 1.38 H new ATOM 0 HH11 ARG A 49 5.577 -9.391 -12.190 1.00 2.19 H new ATOM 0 HH12 ARG A 49 6.752 -10.709 -12.130 1.00 2.19 H new ATOM 0 HH21 ARG A 49 4.339 -13.250 -12.495 1.00 2.69 H new ATOM 0 HH22 ARG A 49 6.056 -12.880 -12.301 1.00 2.69 H new ATOM 787 N PRO A 50 -1.990 -11.769 -11.949 1.00 0.65 N ATOM 788 CA PRO A 50 -2.758 -12.933 -11.486 1.00 0.71 C ATOM 789 C PRO A 50 -1.885 -13.952 -10.759 1.00 0.73 C ATOM 790 O PRO A 50 -2.388 -14.863 -10.100 1.00 0.78 O ATOM 791 CB PRO A 50 -3.316 -13.532 -12.782 1.00 0.89 C ATOM 792 CG PRO A 50 -2.376 -13.082 -13.845 1.00 0.94 C ATOM 793 CD PRO A 50 -1.891 -11.724 -13.421 1.00 0.77 C ATOM 0 HA PRO A 50 -3.527 -12.653 -10.766 1.00 0.71 H new ATOM 0 HB2 PRO A 50 -3.360 -14.620 -12.728 1.00 0.89 H new ATOM 0 HB3 PRO A 50 -4.330 -13.181 -12.976 1.00 0.89 H new ATOM 0 HG2 PRO A 50 -1.544 -13.778 -13.950 1.00 0.94 H new ATOM 0 HG3 PRO A 50 -2.875 -13.033 -14.813 1.00 0.94 H new ATOM 0 HD2 PRO A 50 -0.868 -11.542 -13.749 1.00 0.77 H new ATOM 0 HD3 PRO A 50 -2.507 -10.928 -13.841 1.00 0.77 H new ATOM 801 N SER A 51 -0.576 -13.780 -10.879 1.00 0.75 N ATOM 802 CA SER A 51 0.389 -14.666 -10.247 1.00 0.84 C ATOM 803 C SER A 51 0.558 -14.332 -8.766 1.00 0.76 C ATOM 804 O SER A 51 1.247 -15.040 -8.033 1.00 0.90 O ATOM 805 CB SER A 51 1.729 -14.541 -10.969 1.00 0.96 C ATOM 806 OG SER A 51 1.690 -13.487 -11.926 1.00 1.33 O ATOM 0 H SER A 51 -0.154 -13.023 -11.417 1.00 0.75 H new ATOM 0 HA SER A 51 0.023 -15.690 -10.317 1.00 0.84 H new ATOM 0 HB2 SER A 51 2.521 -14.352 -10.245 1.00 0.96 H new ATOM 0 HB3 SER A 51 1.969 -15.481 -11.466 1.00 0.96 H new ATOM 0 HG SER A 51 2.296 -13.696 -12.668 1.00 1.33 H new ATOM 812 N VAL A 52 -0.068 -13.249 -8.328 1.00 0.59 N ATOM 813 CA VAL A 52 0.025 -12.829 -6.941 1.00 0.56 C ATOM 814 C VAL A 52 -1.218 -13.248 -6.164 1.00 0.50 C ATOM 815 O VAL A 52 -2.334 -12.837 -6.485 1.00 0.51 O ATOM 816 CB VAL A 52 0.214 -11.304 -6.826 1.00 0.52 C ATOM 817 CG1 VAL A 52 0.416 -10.888 -5.377 1.00 0.58 C ATOM 818 CG2 VAL A 52 1.387 -10.854 -7.680 1.00 0.57 C ATOM 0 H VAL A 52 -0.645 -12.647 -8.915 1.00 0.59 H new ATOM 0 HA VAL A 52 0.899 -13.320 -6.513 1.00 0.56 H new ATOM 0 HB VAL A 52 -0.691 -10.818 -7.191 1.00 0.52 H new ATOM 0 HG11 VAL A 52 0.547 -9.807 -5.324 1.00 0.58 H new ATOM 0 HG12 VAL A 52 -0.456 -11.177 -4.790 1.00 0.58 H new ATOM 0 HG13 VAL A 52 1.302 -11.381 -4.977 1.00 0.58 H new ATOM 0 HG21 VAL A 52 1.510 -9.775 -7.590 1.00 0.57 H new ATOM 0 HG22 VAL A 52 2.296 -11.352 -7.342 1.00 0.57 H new ATOM 0 HG23 VAL A 52 1.198 -11.112 -8.722 1.00 0.57 H new ATOM 828 N ASN A 53 -1.013 -14.081 -5.153 1.00 0.51 N ATOM 829 CA ASN A 53 -2.099 -14.564 -4.311 1.00 0.52 C ATOM 830 C ASN A 53 -2.560 -13.461 -3.359 1.00 0.48 C ATOM 831 O ASN A 53 -1.806 -12.527 -3.072 1.00 0.47 O ATOM 832 CB ASN A 53 -1.635 -15.795 -3.519 1.00 0.61 C ATOM 833 CG ASN A 53 -2.771 -16.527 -2.828 1.00 1.09 C ATOM 834 OD1 ASN A 53 -3.929 -16.419 -3.225 1.00 1.80 O ATOM 835 ND2 ASN A 53 -2.441 -17.304 -1.806 1.00 1.64 N ATOM 0 H ASN A 53 -0.094 -14.440 -4.894 1.00 0.51 H new ATOM 0 HA ASN A 53 -2.940 -14.848 -4.943 1.00 0.52 H new ATOM 0 HB2 ASN A 53 -1.127 -16.483 -4.195 1.00 0.61 H new ATOM 0 HB3 ASN A 53 -0.905 -15.484 -2.772 1.00 0.61 H new ATOM 0 HD21 ASN A 53 -3.160 -17.839 -1.319 1.00 1.64 H new ATOM 0 HD22 ASN A 53 -1.468 -17.367 -1.506 1.00 1.64 H new ATOM 842 N THR A 54 -3.786 -13.585 -2.860 1.00 0.48 N ATOM 843 CA THR A 54 -4.368 -12.599 -1.952 1.00 0.49 C ATOM 844 C THR A 54 -3.481 -12.359 -0.732 1.00 0.47 C ATOM 845 O THR A 54 -3.418 -11.245 -0.210 1.00 0.47 O ATOM 846 CB THR A 54 -5.763 -13.049 -1.481 1.00 0.57 C ATOM 847 OG1 THR A 54 -5.954 -14.436 -1.796 1.00 0.75 O ATOM 848 CG2 THR A 54 -6.851 -12.211 -2.140 1.00 0.81 C ATOM 0 H THR A 54 -4.403 -14.369 -3.072 1.00 0.48 H new ATOM 0 HA THR A 54 -4.452 -11.666 -2.509 1.00 0.49 H new ATOM 0 HB THR A 54 -5.829 -12.909 -0.402 1.00 0.57 H new ATOM 0 HG1 THR A 54 -6.842 -14.721 -1.494 1.00 0.75 H new ATOM 0 HG21 THR A 54 -7.829 -12.546 -1.793 1.00 0.81 H new ATOM 0 HG22 THR A 54 -6.712 -11.162 -1.877 1.00 0.81 H new ATOM 0 HG23 THR A 54 -6.792 -12.324 -3.222 1.00 0.81 H new ATOM 856 N ARG A 55 -2.791 -13.409 -0.293 1.00 0.50 N ATOM 857 CA ARG A 55 -1.897 -13.321 0.858 1.00 0.54 C ATOM 858 C ARG A 55 -0.798 -12.287 0.618 1.00 0.49 C ATOM 859 O ARG A 55 -0.510 -11.462 1.481 1.00 0.50 O ATOM 860 CB ARG A 55 -1.275 -14.690 1.161 1.00 0.65 C ATOM 861 CG ARG A 55 -2.231 -15.657 1.842 1.00 0.94 C ATOM 862 CD ARG A 55 -2.474 -15.276 3.295 1.00 1.52 C ATOM 863 NE ARG A 55 -1.287 -15.486 4.130 1.00 2.10 N ATOM 864 CZ ARG A 55 -1.109 -16.543 4.924 1.00 2.74 C ATOM 865 NH1 ARG A 55 -2.011 -17.518 4.954 1.00 3.00 N ATOM 866 NH2 ARG A 55 -0.019 -16.630 5.681 1.00 3.58 N ATOM 0 H ARG A 55 -2.835 -14.335 -0.720 1.00 0.50 H new ATOM 0 HA ARG A 55 -2.486 -13.004 1.718 1.00 0.54 H new ATOM 0 HB2 ARG A 55 -0.925 -15.134 0.229 1.00 0.65 H new ATOM 0 HB3 ARG A 55 -0.400 -14.550 1.796 1.00 0.65 H new ATOM 0 HG2 ARG A 55 -3.180 -15.670 1.305 1.00 0.94 H new ATOM 0 HG3 ARG A 55 -1.824 -16.667 1.793 1.00 0.94 H new ATOM 0 HD2 ARG A 55 -2.773 -14.229 3.349 1.00 1.52 H new ATOM 0 HD3 ARG A 55 -3.302 -15.865 3.689 1.00 1.52 H new ATOM 0 HE ARG A 55 -0.552 -14.780 4.102 1.00 2.10 H new ATOM 0 HH11 ARG A 55 -2.844 -17.460 4.368 1.00 3.00 H new ATOM 0 HH12 ARG A 55 -1.870 -18.324 5.563 1.00 3.00 H new ATOM 0 HH21 ARG A 55 0.681 -15.888 5.654 1.00 3.58 H new ATOM 0 HH22 ARG A 55 0.117 -17.438 6.288 1.00 3.58 H new ATOM 880 N ARG A 56 -0.208 -12.317 -0.570 1.00 0.49 N ATOM 881 CA ARG A 56 0.856 -11.381 -0.907 1.00 0.48 C ATOM 882 C ARG A 56 0.290 -10.001 -1.204 1.00 0.43 C ATOM 883 O ARG A 56 0.951 -8.988 -0.970 1.00 0.46 O ATOM 884 CB ARG A 56 1.669 -11.885 -2.097 1.00 0.53 C ATOM 885 CG ARG A 56 2.684 -12.955 -1.727 1.00 0.67 C ATOM 886 CD ARG A 56 3.787 -12.398 -0.835 1.00 0.84 C ATOM 887 NE ARG A 56 4.487 -13.457 -0.118 1.00 1.55 N ATOM 888 CZ ARG A 56 4.931 -13.354 1.134 1.00 2.18 C ATOM 889 NH1 ARG A 56 4.804 -12.209 1.806 1.00 2.58 N ATOM 890 NH2 ARG A 56 5.521 -14.392 1.705 1.00 3.05 N ATOM 0 H ARG A 56 -0.446 -12.975 -1.312 1.00 0.49 H new ATOM 0 HA ARG A 56 1.518 -11.305 -0.044 1.00 0.48 H new ATOM 0 HB2 ARG A 56 0.989 -12.285 -2.849 1.00 0.53 H new ATOM 0 HB3 ARG A 56 2.190 -11.044 -2.554 1.00 0.53 H new ATOM 0 HG2 ARG A 56 2.180 -13.774 -1.214 1.00 0.67 H new ATOM 0 HG3 ARG A 56 3.124 -13.370 -2.634 1.00 0.67 H new ATOM 0 HD2 ARG A 56 4.498 -11.838 -1.442 1.00 0.84 H new ATOM 0 HD3 ARG A 56 3.357 -11.697 -0.120 1.00 0.84 H new ATOM 0 HE ARG A 56 4.648 -14.337 -0.608 1.00 1.55 H new ATOM 0 HH11 ARG A 56 4.364 -11.403 1.362 1.00 2.58 H new ATOM 0 HH12 ARG A 56 5.147 -12.139 2.764 1.00 2.58 H new ATOM 0 HH21 ARG A 56 5.633 -15.263 1.187 1.00 3.05 H new ATOM 0 HH22 ARG A 56 5.863 -14.321 2.663 1.00 3.05 H new ATOM 904 N LYS A 57 -0.933 -9.965 -1.722 1.00 0.38 N ATOM 905 CA LYS A 57 -1.586 -8.699 -2.028 1.00 0.36 C ATOM 906 C LYS A 57 -1.818 -7.911 -0.743 1.00 0.35 C ATOM 907 O LYS A 57 -1.594 -6.703 -0.691 1.00 0.36 O ATOM 908 CB LYS A 57 -2.914 -8.933 -2.757 1.00 0.37 C ATOM 909 CG LYS A 57 -2.756 -9.499 -4.159 1.00 0.39 C ATOM 910 CD LYS A 57 -3.942 -9.144 -5.040 1.00 0.59 C ATOM 911 CE LYS A 57 -3.843 -9.792 -6.408 1.00 0.50 C ATOM 912 NZ LYS A 57 -4.648 -9.062 -7.424 1.00 0.46 N ATOM 0 H LYS A 57 -1.489 -10.793 -1.937 1.00 0.38 H new ATOM 0 HA LYS A 57 -0.935 -8.123 -2.686 1.00 0.36 H new ATOM 0 HB2 LYS A 57 -3.526 -9.616 -2.167 1.00 0.37 H new ATOM 0 HB3 LYS A 57 -3.456 -7.989 -2.816 1.00 0.37 H new ATOM 0 HG2 LYS A 57 -1.840 -9.113 -4.607 1.00 0.39 H new ATOM 0 HG3 LYS A 57 -2.653 -10.583 -4.105 1.00 0.39 H new ATOM 0 HD2 LYS A 57 -4.864 -9.462 -4.553 1.00 0.59 H new ATOM 0 HD3 LYS A 57 -3.999 -8.061 -5.154 1.00 0.59 H new ATOM 0 HE2 LYS A 57 -2.800 -9.820 -6.722 1.00 0.50 H new ATOM 0 HE3 LYS A 57 -4.185 -10.825 -6.347 1.00 0.50 H new ATOM 0 HZ1 LYS A 57 -5.133 -9.746 -8.040 1.00 0.46 H new ATOM 0 HZ2 LYS A 57 -5.354 -8.466 -6.945 1.00 0.46 H new ATOM 0 HZ3 LYS A 57 -4.021 -8.463 -7.998 1.00 0.46 H new ATOM 926 N LEU A 58 -2.246 -8.615 0.298 1.00 0.36 N ATOM 927 CA LEU A 58 -2.498 -7.995 1.589 1.00 0.37 C ATOM 928 C LEU A 58 -1.192 -7.494 2.197 1.00 0.37 C ATOM 929 O LEU A 58 -1.138 -6.408 2.778 1.00 0.38 O ATOM 930 CB LEU A 58 -3.168 -8.993 2.537 1.00 0.42 C ATOM 931 CG LEU A 58 -3.593 -8.419 3.890 1.00 0.77 C ATOM 932 CD1 LEU A 58 -4.808 -7.514 3.735 1.00 1.26 C ATOM 933 CD2 LEU A 58 -3.881 -9.543 4.873 1.00 1.15 C ATOM 0 H LEU A 58 -2.426 -9.619 0.271 1.00 0.36 H new ATOM 0 HA LEU A 58 -3.167 -7.147 1.442 1.00 0.37 H new ATOM 0 HB2 LEU A 58 -4.047 -9.406 2.043 1.00 0.42 H new ATOM 0 HB3 LEU A 58 -2.482 -9.822 2.711 1.00 0.42 H new ATOM 0 HG LEU A 58 -2.773 -7.818 4.283 1.00 0.77 H new ATOM 0 HD11 LEU A 58 -5.093 -7.117 4.709 1.00 1.26 H new ATOM 0 HD12 LEU A 58 -4.565 -6.690 3.064 1.00 1.26 H new ATOM 0 HD13 LEU A 58 -5.638 -8.086 3.320 1.00 1.26 H new ATOM 0 HD21 LEU A 58 -4.182 -9.120 5.831 1.00 1.15 H new ATOM 0 HD22 LEU A 58 -4.684 -10.169 4.484 1.00 1.15 H new ATOM 0 HD23 LEU A 58 -2.983 -10.146 5.009 1.00 1.15 H new ATOM 945 N LEU A 59 -0.138 -8.291 2.054 1.00 0.38 N ATOM 946 CA LEU A 59 1.172 -7.933 2.579 1.00 0.40 C ATOM 947 C LEU A 59 1.708 -6.693 1.870 1.00 0.37 C ATOM 948 O LEU A 59 2.271 -5.799 2.504 1.00 0.38 O ATOM 949 CB LEU A 59 2.151 -9.100 2.418 1.00 0.45 C ATOM 950 CG LEU A 59 2.416 -9.917 3.687 1.00 0.63 C ATOM 951 CD1 LEU A 59 2.981 -9.032 4.787 1.00 1.54 C ATOM 952 CD2 LEU A 59 1.147 -10.611 4.162 1.00 1.21 C ATOM 0 H LEU A 59 -0.168 -9.192 1.577 1.00 0.38 H new ATOM 0 HA LEU A 59 1.068 -7.710 3.641 1.00 0.40 H new ATOM 0 HB2 LEU A 59 1.767 -9.770 1.649 1.00 0.45 H new ATOM 0 HB3 LEU A 59 3.101 -8.708 2.054 1.00 0.45 H new ATOM 0 HG LEU A 59 3.153 -10.683 3.446 1.00 0.63 H new ATOM 0 HD11 LEU A 59 3.162 -9.631 5.679 1.00 1.54 H new ATOM 0 HD12 LEU A 59 3.918 -8.588 4.452 1.00 1.54 H new ATOM 0 HD13 LEU A 59 2.268 -8.241 5.020 1.00 1.54 H new ATOM 0 HD21 LEU A 59 1.362 -11.184 5.064 1.00 1.21 H new ATOM 0 HD22 LEU A 59 0.384 -9.864 4.380 1.00 1.21 H new ATOM 0 HD23 LEU A 59 0.786 -11.282 3.383 1.00 1.21 H new ATOM 964 N GLY A 60 1.523 -6.643 0.555 1.00 0.37 N ATOM 965 CA GLY A 60 1.976 -5.502 -0.215 1.00 0.37 C ATOM 966 C GLY A 60 1.228 -4.243 0.162 1.00 0.35 C ATOM 967 O GLY A 60 1.800 -3.151 0.192 1.00 0.36 O ATOM 0 H GLY A 60 1.067 -7.374 0.009 1.00 0.37 H new ATOM 0 HA2 GLY A 60 3.044 -5.354 -0.053 1.00 0.37 H new ATOM 0 HA3 GLY A 60 1.840 -5.702 -1.278 1.00 0.37 H new ATOM 971 N LEU A 61 -0.060 -4.399 0.450 1.00 0.35 N ATOM 972 CA LEU A 61 -0.900 -3.280 0.850 1.00 0.36 C ATOM 973 C LEU A 61 -0.407 -2.700 2.172 1.00 0.35 C ATOM 974 O LEU A 61 -0.449 -1.485 2.387 1.00 0.36 O ATOM 975 CB LEU A 61 -2.355 -3.739 0.983 1.00 0.40 C ATOM 976 CG LEU A 61 -3.369 -2.632 1.277 1.00 0.52 C ATOM 977 CD1 LEU A 61 -3.556 -1.740 0.061 1.00 1.23 C ATOM 978 CD2 LEU A 61 -4.698 -3.230 1.712 1.00 1.10 C ATOM 0 H LEU A 61 -0.545 -5.295 0.413 1.00 0.35 H new ATOM 0 HA LEU A 61 -0.844 -2.505 0.086 1.00 0.36 H new ATOM 0 HB2 LEU A 61 -2.646 -4.239 0.059 1.00 0.40 H new ATOM 0 HB3 LEU A 61 -2.412 -4.482 1.779 1.00 0.40 H new ATOM 0 HG LEU A 61 -2.983 -2.020 2.093 1.00 0.52 H new ATOM 0 HD11 LEU A 61 -4.281 -0.959 0.291 1.00 1.23 H new ATOM 0 HD12 LEU A 61 -2.603 -1.283 -0.205 1.00 1.23 H new ATOM 0 HD13 LEU A 61 -3.919 -2.337 -0.776 1.00 1.23 H new ATOM 0 HD21 LEU A 61 -5.408 -2.429 1.917 1.00 1.10 H new ATOM 0 HD22 LEU A 61 -5.088 -3.866 0.917 1.00 1.10 H new ATOM 0 HD23 LEU A 61 -4.552 -3.825 2.614 1.00 1.10 H new ATOM 990 N TYR A 62 0.071 -3.578 3.048 1.00 0.36 N ATOM 991 CA TYR A 62 0.582 -3.171 4.350 1.00 0.37 C ATOM 992 C TYR A 62 1.828 -2.311 4.196 1.00 0.34 C ATOM 993 O TYR A 62 1.989 -1.306 4.889 1.00 0.35 O ATOM 994 CB TYR A 62 0.899 -4.400 5.210 1.00 0.44 C ATOM 995 CG TYR A 62 -0.315 -5.073 5.823 1.00 0.53 C ATOM 996 CD1 TYR A 62 -1.595 -4.542 5.685 1.00 1.23 C ATOM 997 CD2 TYR A 62 -0.172 -6.245 6.556 1.00 1.30 C ATOM 998 CE1 TYR A 62 -2.691 -5.159 6.260 1.00 1.35 C ATOM 999 CE2 TYR A 62 -1.262 -6.868 7.131 1.00 1.38 C ATOM 1000 CZ TYR A 62 -2.518 -6.322 6.981 1.00 0.89 C ATOM 1001 OH TYR A 62 -3.606 -6.937 7.558 1.00 1.10 O ATOM 0 H TYR A 62 0.115 -4.583 2.877 1.00 0.36 H new ATOM 0 HA TYR A 62 -0.189 -2.581 4.846 1.00 0.37 H new ATOM 0 HB2 TYR A 62 1.431 -5.128 4.598 1.00 0.44 H new ATOM 0 HB3 TYR A 62 1.576 -4.102 6.011 1.00 0.44 H new ATOM 0 HD1 TYR A 62 -1.734 -3.633 5.119 1.00 1.23 H new ATOM 0 HD2 TYR A 62 0.810 -6.677 6.678 1.00 1.30 H new ATOM 0 HE1 TYR A 62 -3.677 -4.733 6.145 1.00 1.35 H new ATOM 0 HE2 TYR A 62 -1.131 -7.779 7.696 1.00 1.38 H new ATOM 0 HH TYR A 62 -3.313 -7.745 8.029 1.00 1.10 H new ATOM 1011 N LEU A 63 2.700 -2.699 3.270 1.00 0.33 N ATOM 1012 CA LEU A 63 3.932 -1.959 3.030 1.00 0.34 C ATOM 1013 C LEU A 63 3.622 -0.565 2.496 1.00 0.32 C ATOM 1014 O LEU A 63 4.232 0.419 2.914 1.00 0.35 O ATOM 1015 CB LEU A 63 4.834 -2.710 2.049 1.00 0.36 C ATOM 1016 CG LEU A 63 6.246 -2.133 1.892 1.00 0.52 C ATOM 1017 CD1 LEU A 63 6.930 -2.011 3.244 1.00 1.21 C ATOM 1018 CD2 LEU A 63 7.078 -2.993 0.952 1.00 1.45 C ATOM 0 H LEU A 63 2.576 -3.519 2.676 1.00 0.33 H new ATOM 0 HA LEU A 63 4.459 -1.862 3.979 1.00 0.34 H new ATOM 0 HB2 LEU A 63 4.916 -3.747 2.376 1.00 0.36 H new ATOM 0 HB3 LEU A 63 4.352 -2.721 1.071 1.00 0.36 H new ATOM 0 HG LEU A 63 6.158 -1.136 1.459 1.00 0.52 H new ATOM 0 HD11 LEU A 63 7.930 -1.600 3.110 1.00 1.21 H new ATOM 0 HD12 LEU A 63 6.349 -1.350 3.887 1.00 1.21 H new ATOM 0 HD13 LEU A 63 7.002 -2.996 3.706 1.00 1.21 H new ATOM 0 HD21 LEU A 63 8.076 -2.565 0.855 1.00 1.45 H new ATOM 0 HD22 LEU A 63 7.154 -4.003 1.354 1.00 1.45 H new ATOM 0 HD23 LEU A 63 6.601 -3.027 -0.028 1.00 1.45 H new ATOM 1030 N MET A 64 2.665 -0.492 1.577 1.00 0.31 N ATOM 1031 CA MET A 64 2.260 0.781 0.991 1.00 0.34 C ATOM 1032 C MET A 64 1.715 1.707 2.072 1.00 0.32 C ATOM 1033 O MET A 64 2.083 2.876 2.146 1.00 0.33 O ATOM 1034 CB MET A 64 1.195 0.556 -0.088 1.00 0.38 C ATOM 1035 CG MET A 64 0.928 1.770 -0.974 1.00 0.61 C ATOM 1036 SD MET A 64 -0.206 2.966 -0.233 1.00 0.47 S ATOM 1037 CE MET A 64 -1.703 1.992 -0.083 1.00 0.50 C ATOM 0 H MET A 64 2.155 -1.300 1.221 1.00 0.31 H new ATOM 0 HA MET A 64 3.133 1.245 0.532 1.00 0.34 H new ATOM 0 HB2 MET A 64 1.505 -0.278 -0.718 1.00 0.38 H new ATOM 0 HB3 MET A 64 0.263 0.262 0.395 1.00 0.38 H new ATOM 0 HG2 MET A 64 1.874 2.265 -1.193 1.00 0.61 H new ATOM 0 HG3 MET A 64 0.517 1.432 -1.925 1.00 0.61 H new ATOM 0 HE1 MET A 64 -2.569 2.654 -0.075 1.00 0.50 H new ATOM 0 HE2 MET A 64 -1.778 1.307 -0.928 1.00 0.50 H new ATOM 0 HE3 MET A 64 -1.674 1.421 0.845 1.00 0.50 H new ATOM 1047 N ASN A 65 0.860 1.158 2.927 1.00 0.34 N ATOM 1048 CA ASN A 65 0.253 1.921 4.012 1.00 0.36 C ATOM 1049 C ASN A 65 1.314 2.453 4.969 1.00 0.35 C ATOM 1050 O ASN A 65 1.199 3.561 5.490 1.00 0.41 O ATOM 1051 CB ASN A 65 -0.733 1.044 4.782 1.00 0.42 C ATOM 1052 CG ASN A 65 -2.139 1.113 4.224 1.00 1.06 C ATOM 1053 OD1 ASN A 65 -2.953 1.913 4.669 1.00 1.56 O ATOM 1054 ND2 ASN A 65 -2.437 0.269 3.247 1.00 1.69 N ATOM 0 H ASN A 65 0.570 0.181 2.889 1.00 0.34 H new ATOM 0 HA ASN A 65 -0.275 2.768 3.573 1.00 0.36 H new ATOM 0 HB2 ASN A 65 -0.388 0.010 4.758 1.00 0.42 H new ATOM 0 HB3 ASN A 65 -0.746 1.352 5.828 1.00 0.42 H new ATOM 0 HD21 ASN A 65 -3.372 0.271 2.839 1.00 1.69 H new ATOM 0 HD22 ASN A 65 -1.732 -0.383 2.903 1.00 1.69 H new ATOM 1061 N HIS A 66 2.348 1.655 5.182 1.00 0.34 N ATOM 1062 CA HIS A 66 3.435 2.017 6.078 1.00 0.37 C ATOM 1063 C HIS A 66 4.238 3.196 5.534 1.00 0.36 C ATOM 1064 O HIS A 66 4.345 4.235 6.188 1.00 0.40 O ATOM 1065 CB HIS A 66 4.359 0.812 6.287 1.00 0.44 C ATOM 1066 CG HIS A 66 5.108 0.831 7.586 1.00 0.61 C ATOM 1067 ND1 HIS A 66 5.773 1.950 8.027 1.00 1.54 N ATOM 1068 CD2 HIS A 66 5.276 -0.162 8.485 1.00 1.09 C ATOM 1069 CE1 HIS A 66 6.322 1.614 9.180 1.00 1.46 C ATOM 1070 NE2 HIS A 66 6.047 0.343 9.498 1.00 1.04 N ATOM 0 H HIS A 66 2.458 0.742 4.741 1.00 0.34 H new ATOM 0 HA HIS A 66 3.000 2.317 7.031 1.00 0.37 H new ATOM 0 HB2 HIS A 66 3.765 -0.101 6.236 1.00 0.44 H new ATOM 0 HB3 HIS A 66 5.076 0.772 5.467 1.00 0.44 H new ATOM 0 HD2 HIS A 66 4.878 -1.164 8.418 1.00 1.09 H new ATOM 0 HE1 HIS A 66 6.917 2.279 9.788 1.00 1.46 H new ATOM 0 HE2 HIS A 66 6.353 -0.154 10.334 1.00 1.04 H new ATOM 1078 N VAL A 67 4.764 3.041 4.325 1.00 0.35 N ATOM 1079 CA VAL A 67 5.598 4.072 3.713 1.00 0.39 C ATOM 1080 C VAL A 67 4.875 5.409 3.541 1.00 0.39 C ATOM 1081 O VAL A 67 5.469 6.461 3.774 1.00 0.48 O ATOM 1082 CB VAL A 67 6.183 3.616 2.352 1.00 0.42 C ATOM 1083 CG1 VAL A 67 7.077 2.400 2.534 1.00 1.16 C ATOM 1084 CG2 VAL A 67 5.084 3.317 1.346 1.00 1.40 C ATOM 0 H VAL A 67 4.629 2.211 3.747 1.00 0.35 H new ATOM 0 HA VAL A 67 6.417 4.227 4.415 1.00 0.39 H new ATOM 0 HB VAL A 67 6.782 4.437 1.959 1.00 0.42 H new ATOM 0 HG11 VAL A 67 7.478 2.095 1.567 1.00 1.16 H new ATOM 0 HG12 VAL A 67 7.899 2.650 3.205 1.00 1.16 H new ATOM 0 HG13 VAL A 67 6.496 1.582 2.960 1.00 1.16 H new ATOM 0 HG21 VAL A 67 5.530 3.000 0.403 1.00 1.40 H new ATOM 0 HG22 VAL A 67 4.445 2.522 1.731 1.00 1.40 H new ATOM 0 HG23 VAL A 67 4.487 4.214 1.182 1.00 1.40 H new ATOM 1094 N VAL A 68 3.600 5.389 3.168 1.00 0.34 N ATOM 1095 CA VAL A 68 2.866 6.639 2.967 1.00 0.37 C ATOM 1096 C VAL A 68 2.577 7.354 4.288 1.00 0.39 C ATOM 1097 O VAL A 68 2.458 8.581 4.320 1.00 0.43 O ATOM 1098 CB VAL A 68 1.553 6.432 2.178 1.00 0.38 C ATOM 1099 CG1 VAL A 68 1.850 5.882 0.790 1.00 0.41 C ATOM 1100 CG2 VAL A 68 0.592 5.519 2.924 1.00 0.37 C ATOM 0 H VAL A 68 3.059 4.540 3.001 1.00 0.34 H new ATOM 0 HA VAL A 68 3.520 7.274 2.369 1.00 0.37 H new ATOM 0 HB VAL A 68 1.069 7.403 2.074 1.00 0.38 H new ATOM 0 HG11 VAL A 68 0.916 5.742 0.247 1.00 0.41 H new ATOM 0 HG12 VAL A 68 2.483 6.585 0.248 1.00 0.41 H new ATOM 0 HG13 VAL A 68 2.365 4.925 0.880 1.00 0.41 H new ATOM 0 HG21 VAL A 68 -0.320 5.396 2.340 1.00 0.37 H new ATOM 0 HG22 VAL A 68 1.059 4.546 3.077 1.00 0.37 H new ATOM 0 HG23 VAL A 68 0.347 5.960 3.890 1.00 0.37 H new ATOM 1110 N GLN A 69 2.482 6.597 5.374 1.00 0.39 N ATOM 1111 CA GLN A 69 2.225 7.181 6.684 1.00 0.45 C ATOM 1112 C GLN A 69 3.474 7.886 7.198 1.00 0.45 C ATOM 1113 O GLN A 69 3.413 9.025 7.659 1.00 0.50 O ATOM 1114 CB GLN A 69 1.792 6.109 7.689 1.00 0.52 C ATOM 1115 CG GLN A 69 0.337 5.688 7.559 1.00 0.82 C ATOM 1116 CD GLN A 69 -0.075 4.684 8.620 1.00 1.26 C ATOM 1117 OE1 GLN A 69 0.377 4.746 9.761 1.00 1.83 O ATOM 1118 NE2 GLN A 69 -0.924 3.741 8.245 1.00 2.02 N ATOM 0 H GLN A 69 2.579 5.582 5.374 1.00 0.39 H new ATOM 0 HA GLN A 69 1.416 7.904 6.577 1.00 0.45 H new ATOM 0 HB2 GLN A 69 2.426 5.231 7.563 1.00 0.52 H new ATOM 0 HB3 GLN A 69 1.962 6.483 8.699 1.00 0.52 H new ATOM 0 HG2 GLN A 69 -0.301 6.569 7.630 1.00 0.82 H new ATOM 0 HG3 GLN A 69 0.174 5.256 6.572 1.00 0.82 H new ATOM 0 HE21 GLN A 69 -1.277 3.724 7.288 1.00 2.02 H new ATOM 0 HE22 GLN A 69 -1.226 3.031 8.913 1.00 2.02 H new ATOM 1127 N GLN A 70 4.611 7.207 7.085 1.00 0.44 N ATOM 1128 CA GLN A 70 5.881 7.753 7.552 1.00 0.49 C ATOM 1129 C GLN A 70 6.390 8.832 6.606 1.00 0.46 C ATOM 1130 O GLN A 70 7.199 9.677 6.991 1.00 0.49 O ATOM 1131 CB GLN A 70 6.926 6.641 7.687 1.00 0.58 C ATOM 1132 CG GLN A 70 6.374 5.335 8.241 1.00 0.78 C ATOM 1133 CD GLN A 70 5.687 5.496 9.585 1.00 1.39 C ATOM 1134 OE1 GLN A 70 6.079 6.329 10.404 1.00 2.10 O ATOM 1135 NE2 GLN A 70 4.656 4.698 9.818 1.00 2.02 N ATOM 0 H GLN A 70 4.679 6.276 6.673 1.00 0.44 H new ATOM 0 HA GLN A 70 5.713 8.202 8.531 1.00 0.49 H new ATOM 0 HB2 GLN A 70 7.367 6.451 6.709 1.00 0.58 H new ATOM 0 HB3 GLN A 70 7.729 6.989 8.337 1.00 0.58 H new ATOM 0 HG2 GLN A 70 5.666 4.916 7.526 1.00 0.78 H new ATOM 0 HG3 GLN A 70 7.188 4.618 8.341 1.00 0.78 H new ATOM 0 HE21 GLN A 70 4.365 4.022 9.112 1.00 2.02 H new ATOM 0 HE22 GLN A 70 4.153 4.759 10.703 1.00 2.02 H new ATOM 1144 N ALA A 71 5.907 8.805 5.366 1.00 0.46 N ATOM 1145 CA ALA A 71 6.304 9.786 4.365 1.00 0.47 C ATOM 1146 C ALA A 71 5.980 11.200 4.825 1.00 0.46 C ATOM 1147 O ALA A 71 6.728 12.136 4.557 1.00 0.48 O ATOM 1148 CB ALA A 71 5.626 9.500 3.033 1.00 0.51 C ATOM 0 H ALA A 71 5.238 8.111 5.032 1.00 0.46 H new ATOM 0 HA ALA A 71 7.383 9.707 4.233 1.00 0.47 H new ATOM 0 HB1 ALA A 71 5.936 10.244 2.300 1.00 0.51 H new ATOM 0 HB2 ALA A 71 5.911 8.507 2.685 1.00 0.51 H new ATOM 0 HB3 ALA A 71 4.544 9.543 3.159 1.00 0.51 H new ATOM 1154 N LYS A 72 4.874 11.351 5.545 1.00 0.49 N ATOM 1155 CA LYS A 72 4.472 12.660 6.033 1.00 0.55 C ATOM 1156 C LYS A 72 5.350 13.090 7.205 1.00 0.54 C ATOM 1157 O LYS A 72 5.461 14.274 7.507 1.00 0.59 O ATOM 1158 CB LYS A 72 2.994 12.664 6.431 1.00 0.66 C ATOM 1159 CG LYS A 72 2.307 13.986 6.127 1.00 0.84 C ATOM 1160 CD LYS A 72 0.808 13.824 5.931 1.00 1.07 C ATOM 1161 CE LYS A 72 0.230 15.002 5.161 1.00 1.60 C ATOM 1162 NZ LYS A 72 -1.172 15.297 5.552 1.00 2.09 N ATOM 0 H LYS A 72 4.246 10.589 5.801 1.00 0.49 H new ATOM 0 HA LYS A 72 4.605 13.379 5.225 1.00 0.55 H new ATOM 0 HB2 LYS A 72 2.478 11.862 5.904 1.00 0.66 H new ATOM 0 HB3 LYS A 72 2.909 12.452 7.497 1.00 0.66 H new ATOM 0 HG2 LYS A 72 2.491 14.685 6.943 1.00 0.84 H new ATOM 0 HG3 LYS A 72 2.744 14.422 5.229 1.00 0.84 H new ATOM 0 HD2 LYS A 72 0.606 12.898 5.393 1.00 1.07 H new ATOM 0 HD3 LYS A 72 0.317 13.742 6.901 1.00 1.07 H new ATOM 0 HE2 LYS A 72 0.846 15.884 5.334 1.00 1.60 H new ATOM 0 HE3 LYS A 72 0.270 14.790 4.093 1.00 1.60 H new ATOM 0 HZ1 LYS A 72 -1.495 16.157 5.064 1.00 2.09 H new ATOM 0 HZ2 LYS A 72 -1.782 14.498 5.285 1.00 2.09 H new ATOM 0 HZ3 LYS A 72 -1.222 15.443 6.581 1.00 2.09 H new ATOM 1176 N GLY A 73 5.988 12.119 7.848 1.00 0.54 N ATOM 1177 CA GLY A 73 6.866 12.421 8.961 1.00 0.59 C ATOM 1178 C GLY A 73 8.164 13.039 8.484 1.00 0.56 C ATOM 1179 O GLY A 73 8.756 13.879 9.165 1.00 0.66 O ATOM 0 H GLY A 73 5.912 11.128 7.618 1.00 0.54 H new ATOM 0 HA2 GLY A 73 6.366 13.104 9.647 1.00 0.59 H new ATOM 0 HA3 GLY A 73 7.078 11.508 9.518 1.00 0.59 H new ATOM 1183 N GLN A 74 8.601 12.623 7.300 1.00 0.52 N ATOM 1184 CA GLN A 74 9.825 13.142 6.699 1.00 0.55 C ATOM 1185 C GLN A 74 9.485 14.240 5.696 1.00 0.51 C ATOM 1186 O GLN A 74 10.368 14.831 5.074 1.00 0.56 O ATOM 1187 CB GLN A 74 10.599 12.021 6.004 1.00 0.62 C ATOM 1188 CG GLN A 74 10.994 10.883 6.928 1.00 0.80 C ATOM 1189 CD GLN A 74 11.799 9.812 6.220 1.00 0.94 C ATOM 1190 OE1 GLN A 74 12.555 10.094 5.288 1.00 1.62 O ATOM 1191 NE2 GLN A 74 11.645 8.573 6.658 1.00 1.42 N ATOM 0 H GLN A 74 8.122 11.923 6.734 1.00 0.52 H new ATOM 0 HA GLN A 74 10.451 13.558 7.488 1.00 0.55 H new ATOM 0 HB2 GLN A 74 9.991 11.622 5.192 1.00 0.62 H new ATOM 0 HB3 GLN A 74 11.499 12.439 5.553 1.00 0.62 H new ATOM 0 HG2 GLN A 74 11.576 11.280 7.760 1.00 0.80 H new ATOM 0 HG3 GLN A 74 10.095 10.436 7.353 1.00 0.80 H new ATOM 0 HE21 GLN A 74 11.009 8.381 7.432 1.00 1.42 H new ATOM 0 HE22 GLN A 74 12.162 7.810 6.221 1.00 1.42 H new ATOM 1200 N LYS A 75 8.183 14.494 5.554 1.00 0.47 N ATOM 1201 CA LYS A 75 7.658 15.515 4.645 1.00 0.50 C ATOM 1202 C LYS A 75 7.992 15.185 3.187 1.00 0.47 C ATOM 1203 O LYS A 75 8.325 16.066 2.394 1.00 0.54 O ATOM 1204 CB LYS A 75 8.181 16.914 5.014 1.00 0.62 C ATOM 1205 CG LYS A 75 8.011 17.274 6.487 1.00 0.77 C ATOM 1206 CD LYS A 75 6.557 17.205 6.932 1.00 1.33 C ATOM 1207 CE LYS A 75 5.803 18.491 6.623 1.00 1.99 C ATOM 1208 NZ LYS A 75 6.195 19.604 7.531 1.00 2.70 N ATOM 0 H LYS A 75 7.459 13.994 6.069 1.00 0.47 H new ATOM 0 HA LYS A 75 6.573 15.519 4.753 1.00 0.50 H new ATOM 0 HB2 LYS A 75 9.238 16.975 4.756 1.00 0.62 H new ATOM 0 HB3 LYS A 75 7.662 17.656 4.407 1.00 0.62 H new ATOM 0 HG2 LYS A 75 8.608 16.596 7.096 1.00 0.77 H new ATOM 0 HG3 LYS A 75 8.395 18.279 6.660 1.00 0.77 H new ATOM 0 HD2 LYS A 75 6.065 16.369 6.435 1.00 1.33 H new ATOM 0 HD3 LYS A 75 6.515 17.009 8.003 1.00 1.33 H new ATOM 0 HE2 LYS A 75 5.993 18.783 5.590 1.00 1.99 H new ATOM 0 HE3 LYS A 75 4.731 18.312 6.711 1.00 1.99 H new ATOM 0 HZ1 LYS A 75 5.524 20.391 7.425 1.00 2.70 H new ATOM 0 HZ2 LYS A 75 6.183 19.269 8.516 1.00 2.70 H new ATOM 0 HZ3 LYS A 75 7.152 19.930 7.288 1.00 2.70 H new ATOM 1222 N ILE A 76 7.879 13.912 2.837 1.00 0.42 N ATOM 1223 CA ILE A 76 8.156 13.470 1.478 1.00 0.42 C ATOM 1224 C ILE A 76 6.846 13.288 0.717 1.00 0.38 C ATOM 1225 O ILE A 76 6.283 12.190 0.669 1.00 0.40 O ATOM 1226 CB ILE A 76 8.962 12.148 1.453 1.00 0.46 C ATOM 1227 CG1 ILE A 76 10.222 12.262 2.322 1.00 0.55 C ATOM 1228 CG2 ILE A 76 9.341 11.773 0.025 1.00 0.49 C ATOM 1229 CD1 ILE A 76 11.243 13.253 1.800 1.00 0.63 C ATOM 0 H ILE A 76 7.598 13.167 3.475 1.00 0.42 H new ATOM 0 HA ILE A 76 8.762 14.238 0.998 1.00 0.42 H new ATOM 0 HB ILE A 76 8.328 11.361 1.862 1.00 0.46 H new ATOM 0 HG12 ILE A 76 9.930 12.554 3.331 1.00 0.55 H new ATOM 0 HG13 ILE A 76 10.689 11.280 2.397 1.00 0.55 H new ATOM 0 HG21 ILE A 76 9.907 10.841 0.031 1.00 0.49 H new ATOM 0 HG22 ILE A 76 8.437 11.644 -0.570 1.00 0.49 H new ATOM 0 HG23 ILE A 76 9.951 12.565 -0.409 1.00 0.49 H new ATOM 0 HD11 ILE A 76 12.103 13.275 2.469 1.00 0.63 H new ATOM 0 HD12 ILE A 76 11.566 12.952 0.803 1.00 0.63 H new ATOM 0 HD13 ILE A 76 10.795 14.246 1.752 1.00 0.63 H new ATOM 1241 N ILE A 77 6.360 14.377 0.132 1.00 0.40 N ATOM 1242 CA ILE A 77 5.110 14.358 -0.622 1.00 0.42 C ATOM 1243 C ILE A 77 5.248 13.556 -1.913 1.00 0.39 C ATOM 1244 O ILE A 77 4.254 13.132 -2.496 1.00 0.40 O ATOM 1245 CB ILE A 77 4.624 15.785 -0.958 1.00 0.52 C ATOM 1246 CG1 ILE A 77 5.742 16.599 -1.622 1.00 0.59 C ATOM 1247 CG2 ILE A 77 4.129 16.481 0.304 1.00 0.57 C ATOM 1248 CD1 ILE A 77 5.284 17.943 -2.144 1.00 0.86 C ATOM 0 H ILE A 77 6.815 15.289 0.165 1.00 0.40 H new ATOM 0 HA ILE A 77 4.371 13.877 0.018 1.00 0.42 H new ATOM 0 HB ILE A 77 3.797 15.712 -1.664 1.00 0.52 H new ATOM 0 HG12 ILE A 77 6.545 16.753 -0.901 1.00 0.59 H new ATOM 0 HG13 ILE A 77 6.160 16.022 -2.447 1.00 0.59 H new ATOM 0 HG21 ILE A 77 3.789 17.486 0.055 1.00 0.57 H new ATOM 0 HG22 ILE A 77 3.303 15.914 0.732 1.00 0.57 H new ATOM 0 HG23 ILE A 77 4.941 16.542 1.028 1.00 0.57 H new ATOM 0 HD11 ILE A 77 6.127 18.463 -2.600 1.00 0.86 H new ATOM 0 HD12 ILE A 77 4.502 17.797 -2.889 1.00 0.86 H new ATOM 0 HD13 ILE A 77 4.893 18.539 -1.320 1.00 0.86 H new ATOM 1260 N GLN A 78 6.489 13.346 -2.341 1.00 0.41 N ATOM 1261 CA GLN A 78 6.778 12.593 -3.556 1.00 0.43 C ATOM 1262 C GLN A 78 6.227 11.175 -3.459 1.00 0.36 C ATOM 1263 O GLN A 78 5.657 10.650 -4.416 1.00 0.36 O ATOM 1264 CB GLN A 78 8.290 12.540 -3.806 1.00 0.52 C ATOM 1265 CG GLN A 78 8.890 13.856 -4.288 1.00 0.81 C ATOM 1266 CD GLN A 78 8.881 14.943 -3.228 1.00 1.36 C ATOM 1267 OE1 GLN A 78 8.972 14.667 -2.030 1.00 2.22 O ATOM 1268 NE2 GLN A 78 8.754 16.185 -3.661 1.00 1.73 N ATOM 0 H GLN A 78 7.318 13.691 -1.858 1.00 0.41 H new ATOM 0 HA GLN A 78 6.294 13.102 -4.389 1.00 0.43 H new ATOM 0 HB2 GLN A 78 8.789 12.242 -2.884 1.00 0.52 H new ATOM 0 HB3 GLN A 78 8.498 11.766 -4.545 1.00 0.52 H new ATOM 0 HG2 GLN A 78 9.916 13.683 -4.612 1.00 0.81 H new ATOM 0 HG3 GLN A 78 8.335 14.203 -5.159 1.00 0.81 H new ATOM 0 HE21 GLN A 78 8.682 16.372 -4.661 1.00 1.73 H new ATOM 0 HE22 GLN A 78 8.728 16.957 -2.995 1.00 1.73 H new ATOM 1277 N PHE A 79 6.389 10.570 -2.289 1.00 0.36 N ATOM 1278 CA PHE A 79 5.919 9.210 -2.056 1.00 0.36 C ATOM 1279 C PHE A 79 4.400 9.139 -2.095 1.00 0.33 C ATOM 1280 O PHE A 79 3.825 8.320 -2.811 1.00 0.36 O ATOM 1281 CB PHE A 79 6.410 8.701 -0.699 1.00 0.42 C ATOM 1282 CG PHE A 79 7.573 7.759 -0.780 1.00 0.40 C ATOM 1283 CD1 PHE A 79 7.562 6.700 -1.670 1.00 1.24 C ATOM 1284 CD2 PHE A 79 8.674 7.930 0.042 1.00 1.29 C ATOM 1285 CE1 PHE A 79 8.628 5.828 -1.742 1.00 1.30 C ATOM 1286 CE2 PHE A 79 9.744 7.060 -0.025 1.00 1.34 C ATOM 1287 CZ PHE A 79 9.721 6.007 -0.920 1.00 0.64 C ATOM 0 H PHE A 79 6.844 11.001 -1.484 1.00 0.36 H new ATOM 0 HA PHE A 79 6.322 8.582 -2.851 1.00 0.36 H new ATOM 0 HB2 PHE A 79 6.691 9.555 -0.083 1.00 0.42 H new ATOM 0 HB3 PHE A 79 5.586 8.200 -0.192 1.00 0.42 H new ATOM 0 HD1 PHE A 79 6.709 6.554 -2.316 1.00 1.24 H new ATOM 0 HD2 PHE A 79 8.696 8.752 0.742 1.00 1.29 H new ATOM 0 HE1 PHE A 79 8.607 5.005 -2.442 1.00 1.30 H new ATOM 0 HE2 PHE A 79 10.598 7.202 0.621 1.00 1.34 H new ATOM 0 HZ PHE A 79 10.557 5.326 -0.976 1.00 0.64 H new ATOM 1297 N GLN A 80 3.763 10.024 -1.337 1.00 0.33 N ATOM 1298 CA GLN A 80 2.309 10.062 -1.247 1.00 0.38 C ATOM 1299 C GLN A 80 1.663 10.363 -2.597 1.00 0.33 C ATOM 1300 O GLN A 80 0.590 9.846 -2.902 1.00 0.39 O ATOM 1301 CB GLN A 80 1.878 11.091 -0.204 1.00 0.48 C ATOM 1302 CG GLN A 80 2.448 10.806 1.175 1.00 0.60 C ATOM 1303 CD GLN A 80 1.977 11.783 2.231 1.00 0.75 C ATOM 1304 OE1 GLN A 80 1.723 12.955 1.950 1.00 1.30 O ATOM 1305 NE2 GLN A 80 1.865 11.307 3.460 1.00 1.11 N ATOM 0 H GLN A 80 4.235 10.730 -0.772 1.00 0.33 H new ATOM 0 HA GLN A 80 1.967 9.074 -0.939 1.00 0.38 H new ATOM 0 HB2 GLN A 80 2.196 12.083 -0.526 1.00 0.48 H new ATOM 0 HB3 GLN A 80 0.790 11.109 -0.146 1.00 0.48 H new ATOM 0 HG2 GLN A 80 2.169 9.796 1.474 1.00 0.60 H new ATOM 0 HG3 GLN A 80 3.536 10.834 1.124 1.00 0.60 H new ATOM 0 HE21 GLN A 80 2.085 10.329 3.650 1.00 1.11 H new ATOM 0 HE22 GLN A 80 1.558 11.917 4.217 1.00 1.11 H new ATOM 1314 N ASP A 81 2.319 11.185 -3.400 1.00 0.33 N ATOM 1315 CA ASP A 81 1.799 11.530 -4.718 1.00 0.35 C ATOM 1316 C ASP A 81 1.906 10.334 -5.661 1.00 0.32 C ATOM 1317 O ASP A 81 0.909 9.904 -6.250 1.00 0.37 O ATOM 1318 CB ASP A 81 2.565 12.722 -5.301 1.00 0.41 C ATOM 1319 CG ASP A 81 2.079 13.107 -6.687 1.00 0.52 C ATOM 1320 OD1 ASP A 81 2.589 12.547 -7.675 1.00 1.16 O ATOM 1321 OD2 ASP A 81 1.184 13.972 -6.787 1.00 1.32 O ATOM 0 H ASP A 81 3.209 11.625 -3.166 1.00 0.33 H new ATOM 0 HA ASP A 81 0.749 11.804 -4.611 1.00 0.35 H new ATOM 0 HB2 ASP A 81 2.462 13.577 -4.633 1.00 0.41 H new ATOM 0 HB3 ASP A 81 3.627 12.480 -5.347 1.00 0.41 H new ATOM 1326 N SER A 82 3.113 9.786 -5.769 1.00 0.31 N ATOM 1327 CA SER A 82 3.377 8.646 -6.640 1.00 0.32 C ATOM 1328 C SER A 82 2.522 7.431 -6.271 1.00 0.29 C ATOM 1329 O SER A 82 1.961 6.770 -7.144 1.00 0.30 O ATOM 1330 CB SER A 82 4.858 8.275 -6.575 1.00 0.36 C ATOM 1331 OG SER A 82 5.675 9.407 -6.815 1.00 0.94 O ATOM 0 H SER A 82 3.931 10.118 -5.258 1.00 0.31 H new ATOM 0 HA SER A 82 3.112 8.940 -7.656 1.00 0.32 H new ATOM 0 HB2 SER A 82 5.089 7.856 -5.596 1.00 0.36 H new ATOM 0 HB3 SER A 82 5.076 7.502 -7.312 1.00 0.36 H new ATOM 0 HG SER A 82 5.688 9.976 -6.017 1.00 0.94 H new ATOM 1337 N PHE A 83 2.418 7.142 -4.979 1.00 0.27 N ATOM 1338 CA PHE A 83 1.637 6.000 -4.523 1.00 0.26 C ATOM 1339 C PHE A 83 0.143 6.290 -4.552 1.00 0.26 C ATOM 1340 O PHE A 83 -0.654 5.418 -4.877 1.00 0.30 O ATOM 1341 CB PHE A 83 2.059 5.586 -3.111 1.00 0.27 C ATOM 1342 CG PHE A 83 3.163 4.569 -3.088 1.00 0.28 C ATOM 1343 CD1 PHE A 83 2.910 3.247 -3.417 1.00 1.21 C ATOM 1344 CD2 PHE A 83 4.451 4.932 -2.736 1.00 1.21 C ATOM 1345 CE1 PHE A 83 3.923 2.306 -3.393 1.00 1.23 C ATOM 1346 CE2 PHE A 83 5.468 3.998 -2.712 1.00 1.22 C ATOM 1347 CZ PHE A 83 5.204 2.683 -3.040 1.00 0.37 C ATOM 0 H PHE A 83 2.862 7.679 -4.234 1.00 0.27 H new ATOM 0 HA PHE A 83 1.835 5.179 -5.212 1.00 0.26 H new ATOM 0 HB2 PHE A 83 2.380 6.471 -2.563 1.00 0.27 H new ATOM 0 HB3 PHE A 83 1.193 5.182 -2.586 1.00 0.27 H new ATOM 0 HD1 PHE A 83 1.910 2.948 -3.695 1.00 1.21 H new ATOM 0 HD2 PHE A 83 4.664 5.959 -2.477 1.00 1.21 H new ATOM 0 HE1 PHE A 83 3.713 1.278 -3.650 1.00 1.23 H new ATOM 0 HE2 PHE A 83 6.469 4.296 -2.437 1.00 1.22 H new ATOM 0 HZ PHE A 83 5.998 1.951 -3.021 1.00 0.37 H new ATOM 1357 N GLY A 84 -0.228 7.523 -4.244 1.00 0.27 N ATOM 1358 CA GLY A 84 -1.628 7.901 -4.216 1.00 0.30 C ATOM 1359 C GLY A 84 -2.344 7.721 -5.543 1.00 0.30 C ATOM 1360 O GLY A 84 -3.478 7.246 -5.576 1.00 0.34 O ATOM 0 H GLY A 84 0.420 8.275 -4.011 1.00 0.27 H new ATOM 0 HA2 GLY A 84 -2.138 7.309 -3.456 1.00 0.30 H new ATOM 0 HA3 GLY A 84 -1.706 8.945 -3.912 1.00 0.30 H new ATOM 1364 N LYS A 85 -1.683 8.076 -6.640 1.00 0.31 N ATOM 1365 CA LYS A 85 -2.293 7.971 -7.963 1.00 0.36 C ATOM 1366 C LYS A 85 -2.568 6.519 -8.363 1.00 0.34 C ATOM 1367 O LYS A 85 -3.529 6.239 -9.079 1.00 0.43 O ATOM 1368 CB LYS A 85 -1.416 8.660 -9.018 1.00 0.42 C ATOM 1369 CG LYS A 85 -0.012 8.083 -9.143 1.00 0.48 C ATOM 1370 CD LYS A 85 0.895 8.984 -9.971 1.00 0.62 C ATOM 1371 CE LYS A 85 0.999 10.379 -9.370 1.00 0.96 C ATOM 1372 NZ LYS A 85 2.234 11.083 -9.801 1.00 1.31 N ATOM 0 H LYS A 85 -0.729 8.437 -6.641 1.00 0.31 H new ATOM 0 HA LYS A 85 -3.256 8.480 -7.912 1.00 0.36 H new ATOM 0 HB2 LYS A 85 -1.912 8.591 -9.986 1.00 0.42 H new ATOM 0 HB3 LYS A 85 -1.340 9.720 -8.774 1.00 0.42 H new ATOM 0 HG2 LYS A 85 0.416 7.949 -8.150 1.00 0.48 H new ATOM 0 HG3 LYS A 85 -0.064 7.096 -9.603 1.00 0.48 H new ATOM 0 HD2 LYS A 85 1.888 8.540 -10.036 1.00 0.62 H new ATOM 0 HD3 LYS A 85 0.510 9.053 -10.988 1.00 0.62 H new ATOM 0 HE2 LYS A 85 0.128 10.965 -9.662 1.00 0.96 H new ATOM 0 HE3 LYS A 85 0.984 10.307 -8.283 1.00 0.96 H new ATOM 0 HZ1 LYS A 85 2.595 11.663 -9.017 1.00 1.31 H new ATOM 0 HZ2 LYS A 85 2.954 10.384 -10.075 1.00 1.31 H new ATOM 0 HZ3 LYS A 85 2.019 11.695 -10.614 1.00 1.31 H new ATOM 1386 N VAL A 86 -1.741 5.594 -7.893 1.00 0.28 N ATOM 1387 CA VAL A 86 -1.932 4.190 -8.226 1.00 0.29 C ATOM 1388 C VAL A 86 -2.713 3.464 -7.134 1.00 0.27 C ATOM 1389 O VAL A 86 -3.295 2.406 -7.376 1.00 0.28 O ATOM 1390 CB VAL A 86 -0.592 3.462 -8.478 1.00 0.31 C ATOM 1391 CG1 VAL A 86 0.104 4.034 -9.702 1.00 0.38 C ATOM 1392 CG2 VAL A 86 0.315 3.540 -7.259 1.00 0.31 C ATOM 0 H VAL A 86 -0.942 5.787 -7.288 1.00 0.28 H new ATOM 0 HA VAL A 86 -2.508 4.169 -9.151 1.00 0.29 H new ATOM 0 HB VAL A 86 -0.811 2.411 -8.664 1.00 0.31 H new ATOM 0 HG11 VAL A 86 1.046 3.509 -9.864 1.00 0.38 H new ATOM 0 HG12 VAL A 86 -0.536 3.909 -10.576 1.00 0.38 H new ATOM 0 HG13 VAL A 86 0.302 5.094 -9.546 1.00 0.38 H new ATOM 0 HG21 VAL A 86 1.250 3.019 -7.467 1.00 0.31 H new ATOM 0 HG22 VAL A 86 0.525 4.584 -7.028 1.00 0.31 H new ATOM 0 HG23 VAL A 86 -0.179 3.073 -6.407 1.00 0.31 H new ATOM 1402 N ALA A 87 -2.742 4.048 -5.941 1.00 0.29 N ATOM 1403 CA ALA A 87 -3.450 3.458 -4.811 1.00 0.30 C ATOM 1404 C ALA A 87 -4.942 3.356 -5.088 1.00 0.28 C ATOM 1405 O ALA A 87 -5.562 2.342 -4.784 1.00 0.28 O ATOM 1406 CB ALA A 87 -3.205 4.263 -3.545 1.00 0.38 C ATOM 0 H ALA A 87 -2.281 4.933 -5.731 1.00 0.29 H new ATOM 0 HA ALA A 87 -3.061 2.450 -4.667 1.00 0.30 H new ATOM 0 HB1 ALA A 87 -3.742 3.806 -2.714 1.00 0.38 H new ATOM 0 HB2 ALA A 87 -2.138 4.277 -3.324 1.00 0.38 H new ATOM 0 HB3 ALA A 87 -3.559 5.284 -3.689 1.00 0.38 H new ATOM 1412 N ALA A 88 -5.503 4.406 -5.680 1.00 0.32 N ATOM 1413 CA ALA A 88 -6.929 4.438 -6.000 1.00 0.36 C ATOM 1414 C ALA A 88 -7.315 3.263 -6.894 1.00 0.34 C ATOM 1415 O ALA A 88 -8.351 2.627 -6.693 1.00 0.44 O ATOM 1416 CB ALA A 88 -7.285 5.754 -6.674 1.00 0.45 C ATOM 0 H ALA A 88 -4.993 5.247 -5.949 1.00 0.32 H new ATOM 0 HA ALA A 88 -7.490 4.354 -5.069 1.00 0.36 H new ATOM 0 HB1 ALA A 88 -8.350 5.767 -6.908 1.00 0.45 H new ATOM 0 HB2 ALA A 88 -7.051 6.581 -6.004 1.00 0.45 H new ATOM 0 HB3 ALA A 88 -6.710 5.859 -7.594 1.00 0.45 H new ATOM 1422 N GLU A 89 -6.464 2.972 -7.867 1.00 0.30 N ATOM 1423 CA GLU A 89 -6.705 1.873 -8.788 1.00 0.32 C ATOM 1424 C GLU A 89 -6.629 0.536 -8.056 1.00 0.29 C ATOM 1425 O GLU A 89 -7.570 -0.256 -8.097 1.00 0.32 O ATOM 1426 CB GLU A 89 -5.689 1.910 -9.935 1.00 0.39 C ATOM 1427 CG GLU A 89 -5.868 0.794 -10.959 1.00 0.55 C ATOM 1428 CD GLU A 89 -7.115 0.961 -11.807 1.00 0.88 C ATOM 1429 OE1 GLU A 89 -8.233 0.792 -11.275 1.00 1.56 O ATOM 1430 OE2 GLU A 89 -6.983 1.252 -13.014 1.00 1.56 O ATOM 0 H GLU A 89 -5.598 3.484 -8.039 1.00 0.30 H new ATOM 0 HA GLU A 89 -7.707 1.983 -9.204 1.00 0.32 H new ATOM 0 HB2 GLU A 89 -5.765 2.871 -10.443 1.00 0.39 H new ATOM 0 HB3 GLU A 89 -4.684 1.849 -9.518 1.00 0.39 H new ATOM 0 HG2 GLU A 89 -4.994 0.762 -11.610 1.00 0.55 H new ATOM 0 HG3 GLU A 89 -5.914 -0.164 -10.440 1.00 0.55 H new ATOM 1437 N VAL A 90 -5.518 0.308 -7.364 1.00 0.27 N ATOM 1438 CA VAL A 90 -5.305 -0.936 -6.629 1.00 0.28 C ATOM 1439 C VAL A 90 -6.387 -1.158 -5.573 1.00 0.27 C ATOM 1440 O VAL A 90 -6.938 -2.254 -5.465 1.00 0.30 O ATOM 1441 CB VAL A 90 -3.917 -0.957 -5.949 1.00 0.29 C ATOM 1442 CG1 VAL A 90 -3.718 -2.238 -5.149 1.00 0.34 C ATOM 1443 CG2 VAL A 90 -2.816 -0.807 -6.987 1.00 0.32 C ATOM 0 H VAL A 90 -4.746 0.972 -7.296 1.00 0.27 H new ATOM 0 HA VAL A 90 -5.356 -1.743 -7.360 1.00 0.28 H new ATOM 0 HB VAL A 90 -3.867 -0.115 -5.259 1.00 0.29 H new ATOM 0 HG11 VAL A 90 -2.733 -2.226 -4.682 1.00 0.34 H new ATOM 0 HG12 VAL A 90 -4.485 -2.308 -4.378 1.00 0.34 H new ATOM 0 HG13 VAL A 90 -3.793 -3.098 -5.815 1.00 0.34 H new ATOM 0 HG21 VAL A 90 -1.845 -0.824 -6.492 1.00 0.32 H new ATOM 0 HG22 VAL A 90 -2.874 -1.629 -7.700 1.00 0.32 H new ATOM 0 HG23 VAL A 90 -2.939 0.140 -7.513 1.00 0.32 H new ATOM 1453 N LEU A 91 -6.700 -0.111 -4.813 1.00 0.26 N ATOM 1454 CA LEU A 91 -7.705 -0.193 -3.758 1.00 0.28 C ATOM 1455 C LEU A 91 -9.046 -0.660 -4.307 1.00 0.27 C ATOM 1456 O LEU A 91 -9.697 -1.515 -3.714 1.00 0.30 O ATOM 1457 CB LEU A 91 -7.870 1.161 -3.062 1.00 0.31 C ATOM 1458 CG LEU A 91 -7.242 1.264 -1.667 1.00 0.53 C ATOM 1459 CD1 LEU A 91 -7.908 0.294 -0.705 1.00 1.45 C ATOM 1460 CD2 LEU A 91 -5.742 1.011 -1.726 1.00 0.89 C ATOM 0 H LEU A 91 -6.269 0.808 -4.910 1.00 0.26 H new ATOM 0 HA LEU A 91 -7.358 -0.926 -3.030 1.00 0.28 H new ATOM 0 HB2 LEU A 91 -7.433 1.932 -3.696 1.00 0.31 H new ATOM 0 HB3 LEU A 91 -8.934 1.381 -2.980 1.00 0.31 H new ATOM 0 HG LEU A 91 -7.402 2.278 -1.300 1.00 0.53 H new ATOM 0 HD11 LEU A 91 -7.447 0.383 0.279 1.00 1.45 H new ATOM 0 HD12 LEU A 91 -8.970 0.527 -0.631 1.00 1.45 H new ATOM 0 HD13 LEU A 91 -7.785 -0.725 -1.072 1.00 1.45 H new ATOM 0 HD21 LEU A 91 -5.320 1.090 -0.724 1.00 0.89 H new ATOM 0 HD22 LEU A 91 -5.557 0.012 -2.120 1.00 0.89 H new ATOM 0 HD23 LEU A 91 -5.274 1.750 -2.376 1.00 0.89 H new ATOM 1472 N GLY A 92 -9.447 -0.108 -5.444 1.00 0.28 N ATOM 1473 CA GLY A 92 -10.711 -0.490 -6.040 1.00 0.31 C ATOM 1474 C GLY A 92 -10.710 -1.926 -6.528 1.00 0.33 C ATOM 1475 O GLY A 92 -11.711 -2.634 -6.405 1.00 0.41 O ATOM 0 H GLY A 92 -8.921 0.595 -5.963 1.00 0.28 H new ATOM 0 HA2 GLY A 92 -11.509 -0.358 -5.309 1.00 0.31 H new ATOM 0 HA3 GLY A 92 -10.931 0.175 -6.875 1.00 0.31 H new ATOM 1479 N ARG A 93 -9.576 -2.362 -7.064 1.00 0.31 N ATOM 1480 CA ARG A 93 -9.450 -3.721 -7.577 1.00 0.37 C ATOM 1481 C ARG A 93 -9.501 -4.738 -6.444 1.00 0.37 C ATOM 1482 O ARG A 93 -10.256 -5.708 -6.504 1.00 0.42 O ATOM 1483 CB ARG A 93 -8.150 -3.886 -8.372 1.00 0.43 C ATOM 1484 CG ARG A 93 -7.990 -2.893 -9.514 1.00 0.59 C ATOM 1485 CD ARG A 93 -9.214 -2.865 -10.414 1.00 0.95 C ATOM 1486 NE ARG A 93 -9.124 -1.815 -11.423 1.00 1.84 N ATOM 1487 CZ ARG A 93 -9.490 -1.966 -12.694 1.00 2.40 C ATOM 1488 NH1 ARG A 93 -9.977 -3.125 -13.123 1.00 2.41 N ATOM 1489 NH2 ARG A 93 -9.365 -0.954 -13.538 1.00 3.46 N ATOM 0 H ARG A 93 -8.732 -1.796 -7.155 1.00 0.31 H new ATOM 0 HA ARG A 93 -10.292 -3.902 -8.244 1.00 0.37 H new ATOM 0 HB2 ARG A 93 -7.305 -3.780 -7.692 1.00 0.43 H new ATOM 0 HB3 ARG A 93 -8.110 -4.898 -8.776 1.00 0.43 H new ATOM 0 HG2 ARG A 93 -7.815 -1.897 -9.108 1.00 0.59 H new ATOM 0 HG3 ARG A 93 -7.112 -3.156 -10.103 1.00 0.59 H new ATOM 0 HD2 ARG A 93 -9.326 -3.832 -10.905 1.00 0.95 H new ATOM 0 HD3 ARG A 93 -10.107 -2.710 -9.808 1.00 0.95 H new ATOM 0 HE ARG A 93 -8.757 -0.907 -11.136 1.00 1.84 H new ATOM 0 HH11 ARG A 93 -10.073 -3.908 -12.477 1.00 2.41 H new ATOM 0 HH12 ARG A 93 -10.255 -3.232 -14.099 1.00 2.41 H new ATOM 0 HH21 ARG A 93 -8.989 -0.063 -13.214 1.00 3.46 H new ATOM 0 HH22 ARG A 93 -9.644 -1.065 -14.513 1.00 3.46 H new ATOM 1503 N ILE A 94 -8.723 -4.504 -5.393 1.00 0.36 N ATOM 1504 CA ILE A 94 -8.693 -5.423 -4.263 1.00 0.40 C ATOM 1505 C ILE A 94 -10.002 -5.368 -3.476 1.00 0.39 C ATOM 1506 O ILE A 94 -10.381 -6.325 -2.811 1.00 0.43 O ATOM 1507 CB ILE A 94 -7.503 -5.155 -3.315 1.00 0.44 C ATOM 1508 CG1 ILE A 94 -7.609 -3.772 -2.676 1.00 0.40 C ATOM 1509 CG2 ILE A 94 -6.189 -5.293 -4.072 1.00 0.49 C ATOM 1510 CD1 ILE A 94 -6.622 -3.547 -1.553 1.00 0.50 C ATOM 0 H ILE A 94 -8.110 -3.694 -5.300 1.00 0.36 H new ATOM 0 HA ILE A 94 -8.566 -6.421 -4.682 1.00 0.40 H new ATOM 0 HB ILE A 94 -7.530 -5.896 -2.516 1.00 0.44 H new ATOM 0 HG12 ILE A 94 -7.453 -3.014 -3.443 1.00 0.40 H new ATOM 0 HG13 ILE A 94 -8.620 -3.634 -2.293 1.00 0.40 H new ATOM 0 HG21 ILE A 94 -5.357 -5.102 -3.394 1.00 0.49 H new ATOM 0 HG22 ILE A 94 -6.105 -6.303 -4.474 1.00 0.49 H new ATOM 0 HG23 ILE A 94 -6.163 -4.573 -4.890 1.00 0.49 H new ATOM 0 HD11 ILE A 94 -6.755 -2.544 -1.147 1.00 0.50 H new ATOM 0 HD12 ILE A 94 -6.792 -4.282 -0.767 1.00 0.50 H new ATOM 0 HD13 ILE A 94 -5.606 -3.652 -1.935 1.00 0.50 H new ATOM 1522 N ASN A 95 -10.701 -4.245 -3.588 1.00 0.36 N ATOM 1523 CA ASN A 95 -11.973 -4.052 -2.897 1.00 0.40 C ATOM 1524 C ASN A 95 -13.033 -5.011 -3.433 1.00 0.43 C ATOM 1525 O ASN A 95 -13.979 -5.361 -2.730 1.00 0.51 O ATOM 1526 CB ASN A 95 -12.432 -2.595 -3.066 1.00 0.43 C ATOM 1527 CG ASN A 95 -13.861 -2.343 -2.613 1.00 0.59 C ATOM 1528 OD1 ASN A 95 -14.129 -2.136 -1.433 1.00 1.00 O ATOM 1529 ND2 ASN A 95 -14.788 -2.330 -3.558 1.00 0.79 N ATOM 0 H ASN A 95 -10.407 -3.449 -4.154 1.00 0.36 H new ATOM 0 HA ASN A 95 -11.835 -4.265 -1.837 1.00 0.40 H new ATOM 0 HB2 ASN A 95 -11.763 -1.946 -2.502 1.00 0.43 H new ATOM 0 HB3 ASN A 95 -12.339 -2.314 -4.115 1.00 0.43 H new ATOM 0 HD21 ASN A 95 -15.761 -2.144 -3.315 1.00 0.79 H new ATOM 0 HD22 ASN A 95 -14.529 -2.506 -4.529 1.00 0.79 H new ATOM 1536 N GLN A 96 -12.856 -5.457 -4.671 1.00 0.42 N ATOM 1537 CA GLN A 96 -13.818 -6.357 -5.292 1.00 0.48 C ATOM 1538 C GLN A 96 -13.261 -7.767 -5.486 1.00 0.49 C ATOM 1539 O GLN A 96 -13.955 -8.638 -6.014 1.00 0.66 O ATOM 1540 CB GLN A 96 -14.274 -5.784 -6.636 1.00 0.59 C ATOM 1541 CG GLN A 96 -13.139 -5.545 -7.618 1.00 0.93 C ATOM 1542 CD GLN A 96 -13.561 -4.708 -8.809 1.00 0.85 C ATOM 1543 OE1 GLN A 96 -14.016 -5.233 -9.822 1.00 1.11 O ATOM 1544 NE2 GLN A 96 -13.407 -3.399 -8.697 1.00 1.14 N ATOM 0 H GLN A 96 -12.061 -5.212 -5.261 1.00 0.42 H new ATOM 0 HA GLN A 96 -14.668 -6.439 -4.615 1.00 0.48 H new ATOM 0 HB2 GLN A 96 -14.994 -6.468 -7.086 1.00 0.59 H new ATOM 0 HB3 GLN A 96 -14.795 -4.843 -6.461 1.00 0.59 H new ATOM 0 HG2 GLN A 96 -12.317 -5.048 -7.103 1.00 0.93 H new ATOM 0 HG3 GLN A 96 -12.760 -6.505 -7.970 1.00 0.93 H new ATOM 0 HE21 GLN A 96 -13.025 -3.002 -7.838 1.00 1.14 H new ATOM 0 HE22 GLN A 96 -13.670 -2.787 -9.469 1.00 1.14 H new ATOM 1553 N GLU A 97 -12.025 -8.000 -5.058 1.00 0.42 N ATOM 1554 CA GLU A 97 -11.416 -9.320 -5.208 1.00 0.48 C ATOM 1555 C GLU A 97 -11.082 -9.946 -3.851 1.00 0.44 C ATOM 1556 O GLU A 97 -10.916 -11.163 -3.746 1.00 0.54 O ATOM 1557 CB GLU A 97 -10.159 -9.243 -6.092 1.00 0.56 C ATOM 1558 CG GLU A 97 -8.844 -9.166 -5.323 1.00 0.74 C ATOM 1559 CD GLU A 97 -7.628 -9.204 -6.228 1.00 0.72 C ATOM 1560 OE1 GLU A 97 -7.202 -10.308 -6.612 1.00 1.33 O ATOM 1561 OE2 GLU A 97 -7.084 -8.129 -6.558 1.00 1.30 O ATOM 0 H GLU A 97 -11.430 -7.303 -4.610 1.00 0.42 H new ATOM 0 HA GLU A 97 -12.147 -9.964 -5.698 1.00 0.48 H new ATOM 0 HB2 GLU A 97 -10.134 -10.118 -6.742 1.00 0.56 H new ATOM 0 HB3 GLU A 97 -10.238 -8.369 -6.738 1.00 0.56 H new ATOM 0 HG2 GLU A 97 -8.825 -8.248 -4.736 1.00 0.74 H new ATOM 0 HG3 GLU A 97 -8.792 -9.996 -4.618 1.00 0.74 H new ATOM 1568 N PHE A 98 -10.987 -9.114 -2.820 1.00 0.38 N ATOM 1569 CA PHE A 98 -10.666 -9.590 -1.478 1.00 0.43 C ATOM 1570 C PHE A 98 -11.900 -10.155 -0.781 1.00 0.49 C ATOM 1571 O PHE A 98 -13.019 -9.684 -0.998 1.00 0.52 O ATOM 1572 CB PHE A 98 -10.079 -8.453 -0.631 1.00 0.46 C ATOM 1573 CG PHE A 98 -8.586 -8.300 -0.746 1.00 0.47 C ATOM 1574 CD1 PHE A 98 -7.920 -8.659 -1.905 1.00 1.34 C ATOM 1575 CD2 PHE A 98 -7.852 -7.794 0.314 1.00 1.22 C ATOM 1576 CE1 PHE A 98 -6.551 -8.512 -2.006 1.00 1.39 C ATOM 1577 CE2 PHE A 98 -6.483 -7.648 0.219 1.00 1.21 C ATOM 1578 CZ PHE A 98 -5.831 -8.007 -0.943 1.00 0.56 C ATOM 0 H PHE A 98 -11.128 -8.106 -2.887 1.00 0.38 H new ATOM 0 HA PHE A 98 -9.928 -10.386 -1.580 1.00 0.43 H new ATOM 0 HB2 PHE A 98 -10.552 -7.516 -0.925 1.00 0.46 H new ATOM 0 HB3 PHE A 98 -10.335 -8.625 0.414 1.00 0.46 H new ATOM 0 HD1 PHE A 98 -8.477 -9.058 -2.739 1.00 1.34 H new ATOM 0 HD2 PHE A 98 -8.357 -7.510 1.226 1.00 1.22 H new ATOM 0 HE1 PHE A 98 -6.044 -8.792 -2.917 1.00 1.39 H new ATOM 0 HE2 PHE A 98 -5.922 -7.253 1.053 1.00 1.21 H new ATOM 0 HZ PHE A 98 -4.760 -7.893 -1.020 1.00 0.56 H new ATOM 1588 N PRO A 99 -11.708 -11.193 0.047 1.00 0.58 N ATOM 1589 CA PRO A 99 -12.794 -11.821 0.808 1.00 0.70 C ATOM 1590 C PRO A 99 -13.379 -10.882 1.857 1.00 0.77 C ATOM 1591 O PRO A 99 -12.833 -9.813 2.115 1.00 1.47 O ATOM 1592 CB PRO A 99 -12.120 -13.017 1.483 1.00 0.78 C ATOM 1593 CG PRO A 99 -10.670 -12.683 1.504 1.00 0.82 C ATOM 1594 CD PRO A 99 -10.416 -11.854 0.282 1.00 0.63 C ATOM 0 HA PRO A 99 -13.631 -12.096 0.167 1.00 0.70 H new ATOM 0 HB2 PRO A 99 -12.504 -13.169 2.492 1.00 0.78 H new ATOM 0 HB3 PRO A 99 -12.305 -13.938 0.930 1.00 0.78 H new ATOM 0 HG2 PRO A 99 -10.410 -12.133 2.409 1.00 0.82 H new ATOM 0 HG3 PRO A 99 -10.062 -13.587 1.495 1.00 0.82 H new ATOM 0 HD2 PRO A 99 -9.618 -11.130 0.446 1.00 0.63 H new ATOM 0 HD3 PRO A 99 -10.119 -12.470 -0.567 1.00 0.63 H new ATOM 1602 N ARG A 100 -14.475 -11.302 2.478 1.00 0.63 N ATOM 1603 CA ARG A 100 -15.161 -10.497 3.486 1.00 0.65 C ATOM 1604 C ARG A 100 -14.246 -10.107 4.648 1.00 0.61 C ATOM 1605 O ARG A 100 -14.271 -8.961 5.103 1.00 0.76 O ATOM 1606 CB ARG A 100 -16.380 -11.248 4.024 1.00 0.83 C ATOM 1607 CG ARG A 100 -17.542 -11.301 3.044 1.00 1.54 C ATOM 1608 CD ARG A 100 -18.256 -9.962 2.956 1.00 2.05 C ATOM 1609 NE ARG A 100 -19.139 -9.728 4.097 1.00 2.97 N ATOM 1610 CZ ARG A 100 -20.446 -9.481 3.991 1.00 3.79 C ATOM 1611 NH1 ARG A 100 -21.027 -9.422 2.794 1.00 3.82 N ATOM 1612 NH2 ARG A 100 -21.170 -9.287 5.086 1.00 4.87 N ATOM 0 H ARG A 100 -14.913 -12.206 2.299 1.00 0.63 H new ATOM 0 HA ARG A 100 -15.477 -9.577 2.994 1.00 0.65 H new ATOM 0 HB2 ARG A 100 -16.085 -12.265 4.281 1.00 0.83 H new ATOM 0 HB3 ARG A 100 -16.714 -10.770 4.945 1.00 0.83 H new ATOM 0 HG2 ARG A 100 -17.175 -11.585 2.058 1.00 1.54 H new ATOM 0 HG3 ARG A 100 -18.248 -12.071 3.355 1.00 1.54 H new ATOM 0 HD2 ARG A 100 -17.518 -9.162 2.901 1.00 2.05 H new ATOM 0 HD3 ARG A 100 -18.838 -9.923 2.035 1.00 2.05 H new ATOM 0 HE ARG A 100 -18.731 -9.755 5.032 1.00 2.97 H new ATOM 0 HH11 ARG A 100 -20.472 -9.566 1.950 1.00 3.82 H new ATOM 0 HH12 ARG A 100 -22.027 -9.233 2.721 1.00 3.82 H new ATOM 0 HH21 ARG A 100 -20.727 -9.327 6.004 1.00 4.87 H new ATOM 0 HH22 ARG A 100 -22.169 -9.098 5.010 1.00 4.87 H new ATOM 1626 N ASP A 101 -13.438 -11.046 5.121 1.00 0.61 N ATOM 1627 CA ASP A 101 -12.543 -10.777 6.246 1.00 0.66 C ATOM 1628 C ASP A 101 -11.470 -9.754 5.870 1.00 0.59 C ATOM 1629 O ASP A 101 -11.236 -8.797 6.610 1.00 0.70 O ATOM 1630 CB ASP A 101 -11.906 -12.077 6.766 1.00 0.84 C ATOM 1631 CG ASP A 101 -10.644 -12.475 6.024 1.00 1.76 C ATOM 1632 OD1 ASP A 101 -10.740 -12.849 4.837 1.00 2.58 O ATOM 1633 OD2 ASP A 101 -9.550 -12.411 6.628 1.00 2.35 O ATOM 0 H ASP A 101 -13.381 -11.994 4.749 1.00 0.61 H new ATOM 0 HA ASP A 101 -13.141 -10.349 7.050 1.00 0.66 H new ATOM 0 HB2 ASP A 101 -11.673 -11.959 7.824 1.00 0.84 H new ATOM 0 HB3 ASP A 101 -12.634 -12.885 6.687 1.00 0.84 H new ATOM 1638 N LEU A 102 -10.838 -9.937 4.715 1.00 0.55 N ATOM 1639 CA LEU A 102 -9.798 -9.021 4.265 1.00 0.57 C ATOM 1640 C LEU A 102 -10.402 -7.690 3.838 1.00 0.54 C ATOM 1641 O LEU A 102 -9.765 -6.644 3.950 1.00 0.64 O ATOM 1642 CB LEU A 102 -8.992 -9.627 3.110 1.00 0.60 C ATOM 1643 CG LEU A 102 -8.166 -10.870 3.453 1.00 0.68 C ATOM 1644 CD1 LEU A 102 -7.258 -11.241 2.290 1.00 0.83 C ATOM 1645 CD2 LEU A 102 -7.352 -10.649 4.719 1.00 0.85 C ATOM 0 H LEU A 102 -11.028 -10.709 4.076 1.00 0.55 H new ATOM 0 HA LEU A 102 -9.122 -8.848 5.103 1.00 0.57 H new ATOM 0 HB2 LEU A 102 -9.682 -9.883 2.306 1.00 0.60 H new ATOM 0 HB3 LEU A 102 -8.319 -8.863 2.721 1.00 0.60 H new ATOM 0 HG LEU A 102 -8.853 -11.697 3.634 1.00 0.68 H new ATOM 0 HD11 LEU A 102 -6.678 -12.126 2.550 1.00 0.83 H new ATOM 0 HD12 LEU A 102 -7.863 -11.450 1.408 1.00 0.83 H new ATOM 0 HD13 LEU A 102 -6.582 -10.413 2.078 1.00 0.83 H new ATOM 0 HD21 LEU A 102 -6.774 -11.546 4.941 1.00 0.85 H new ATOM 0 HD22 LEU A 102 -6.674 -9.808 4.574 1.00 0.85 H new ATOM 0 HD23 LEU A 102 -8.023 -10.435 5.550 1.00 0.85 H new ATOM 1657 N LYS A 103 -11.639 -7.745 3.356 1.00 0.50 N ATOM 1658 CA LYS A 103 -12.357 -6.557 2.915 1.00 0.54 C ATOM 1659 C LYS A 103 -12.423 -5.527 4.032 1.00 0.52 C ATOM 1660 O LYS A 103 -12.062 -4.367 3.839 1.00 0.56 O ATOM 1661 CB LYS A 103 -13.776 -6.931 2.463 1.00 0.69 C ATOM 1662 CG LYS A 103 -14.607 -5.759 1.964 1.00 0.95 C ATOM 1663 CD LYS A 103 -14.039 -5.169 0.684 1.00 1.22 C ATOM 1664 CE LYS A 103 -13.421 -3.804 0.931 1.00 1.66 C ATOM 1665 NZ LYS A 103 -14.448 -2.772 1.240 1.00 2.36 N ATOM 0 H LYS A 103 -12.169 -8.611 3.261 1.00 0.50 H new ATOM 0 HA LYS A 103 -11.819 -6.124 2.072 1.00 0.54 H new ATOM 0 HB2 LYS A 103 -13.707 -7.675 1.670 1.00 0.69 H new ATOM 0 HB3 LYS A 103 -14.297 -7.401 3.297 1.00 0.69 H new ATOM 0 HG2 LYS A 103 -15.631 -6.088 1.789 1.00 0.95 H new ATOM 0 HG3 LYS A 103 -14.647 -4.988 2.733 1.00 0.95 H new ATOM 0 HD2 LYS A 103 -13.286 -5.842 0.274 1.00 1.22 H new ATOM 0 HD3 LYS A 103 -14.830 -5.083 -0.061 1.00 1.22 H new ATOM 0 HE2 LYS A 103 -12.714 -3.871 1.758 1.00 1.66 H new ATOM 0 HE3 LYS A 103 -12.854 -3.499 0.052 1.00 1.66 H new ATOM 0 HZ1 LYS A 103 -14.532 -2.115 0.438 1.00 2.36 H new ATOM 0 HZ2 LYS A 103 -15.365 -3.234 1.407 1.00 2.36 H new ATOM 0 HZ3 LYS A 103 -14.166 -2.245 2.091 1.00 2.36 H new ATOM 1679 N LYS A 104 -12.858 -5.962 5.206 1.00 0.51 N ATOM 1680 CA LYS A 104 -12.970 -5.068 6.352 1.00 0.56 C ATOM 1681 C LYS A 104 -11.590 -4.588 6.798 1.00 0.55 C ATOM 1682 O LYS A 104 -11.420 -3.438 7.205 1.00 0.63 O ATOM 1683 CB LYS A 104 -13.682 -5.770 7.507 1.00 0.65 C ATOM 1684 CG LYS A 104 -14.297 -4.805 8.505 1.00 1.14 C ATOM 1685 CD LYS A 104 -14.911 -5.538 9.683 1.00 1.34 C ATOM 1686 CE LYS A 104 -15.686 -4.589 10.582 1.00 1.98 C ATOM 1687 NZ LYS A 104 -15.910 -5.160 11.934 1.00 2.57 N ATOM 0 H LYS A 104 -13.139 -6.925 5.391 1.00 0.51 H new ATOM 0 HA LYS A 104 -13.558 -4.200 6.053 1.00 0.56 H new ATOM 0 HB2 LYS A 104 -14.464 -6.415 7.105 1.00 0.65 H new ATOM 0 HB3 LYS A 104 -12.972 -6.415 8.025 1.00 0.65 H new ATOM 0 HG2 LYS A 104 -13.533 -4.115 8.863 1.00 1.14 H new ATOM 0 HG3 LYS A 104 -15.061 -4.206 8.010 1.00 1.14 H new ATOM 0 HD2 LYS A 104 -15.575 -6.322 9.320 1.00 1.34 H new ATOM 0 HD3 LYS A 104 -14.125 -6.027 10.259 1.00 1.34 H new ATOM 0 HE2 LYS A 104 -15.142 -3.649 10.671 1.00 1.98 H new ATOM 0 HE3 LYS A 104 -16.647 -4.358 10.122 1.00 1.98 H new ATOM 0 HZ1 LYS A 104 -16.442 -4.480 12.514 1.00 2.57 H new ATOM 0 HZ2 LYS A 104 -16.452 -6.044 11.852 1.00 2.57 H new ATOM 0 HZ3 LYS A 104 -14.993 -5.356 12.384 1.00 2.57 H new ATOM 1701 N LYS A 105 -10.603 -5.471 6.699 1.00 0.55 N ATOM 1702 CA LYS A 105 -9.240 -5.140 7.091 1.00 0.60 C ATOM 1703 C LYS A 105 -8.674 -4.025 6.210 1.00 0.52 C ATOM 1704 O LYS A 105 -8.063 -3.080 6.710 1.00 0.55 O ATOM 1705 CB LYS A 105 -8.349 -6.383 7.017 1.00 0.70 C ATOM 1706 CG LYS A 105 -8.689 -7.443 8.058 1.00 0.88 C ATOM 1707 CD LYS A 105 -7.938 -8.741 7.803 1.00 1.26 C ATOM 1708 CE LYS A 105 -8.391 -9.845 8.749 1.00 1.76 C ATOM 1709 NZ LYS A 105 -7.913 -11.184 8.310 1.00 2.44 N ATOM 0 H LYS A 105 -10.722 -6.422 6.350 1.00 0.55 H new ATOM 0 HA LYS A 105 -9.258 -4.783 8.121 1.00 0.60 H new ATOM 0 HB2 LYS A 105 -8.435 -6.822 6.023 1.00 0.70 H new ATOM 0 HB3 LYS A 105 -7.309 -6.082 7.144 1.00 0.70 H new ATOM 0 HG2 LYS A 105 -8.443 -7.069 9.052 1.00 0.88 H new ATOM 0 HG3 LYS A 105 -9.762 -7.635 8.046 1.00 0.88 H new ATOM 0 HD2 LYS A 105 -8.096 -9.057 6.772 1.00 1.26 H new ATOM 0 HD3 LYS A 105 -6.868 -8.573 7.925 1.00 1.26 H new ATOM 0 HE2 LYS A 105 -8.019 -9.638 9.753 1.00 1.76 H new ATOM 0 HE3 LYS A 105 -9.479 -9.849 8.807 1.00 1.76 H new ATOM 0 HZ1 LYS A 105 -7.808 -11.804 9.138 1.00 2.44 H new ATOM 0 HZ2 LYS A 105 -8.602 -11.600 7.652 1.00 2.44 H new ATOM 0 HZ3 LYS A 105 -6.994 -11.085 7.832 1.00 2.44 H new ATOM 1723 N LEU A 106 -8.897 -4.122 4.903 1.00 0.51 N ATOM 1724 CA LEU A 106 -8.399 -3.110 3.980 1.00 0.52 C ATOM 1725 C LEU A 106 -9.232 -1.835 4.077 1.00 0.45 C ATOM 1726 O LEU A 106 -8.732 -0.740 3.832 1.00 0.46 O ATOM 1727 CB LEU A 106 -8.375 -3.640 2.535 1.00 0.65 C ATOM 1728 CG LEU A 106 -9.720 -3.669 1.794 1.00 0.71 C ATOM 1729 CD1 LEU A 106 -9.886 -2.429 0.925 1.00 1.27 C ATOM 1730 CD2 LEU A 106 -9.830 -4.924 0.945 1.00 1.04 C ATOM 0 H LEU A 106 -9.414 -4.883 4.463 1.00 0.51 H new ATOM 0 HA LEU A 106 -7.374 -2.871 4.264 1.00 0.52 H new ATOM 0 HB2 LEU A 106 -7.681 -3.028 1.959 1.00 0.65 H new ATOM 0 HB3 LEU A 106 -7.971 -4.652 2.549 1.00 0.65 H new ATOM 0 HG LEU A 106 -10.517 -3.677 2.537 1.00 0.71 H new ATOM 0 HD11 LEU A 106 -10.846 -2.472 0.410 1.00 1.27 H new ATOM 0 HD12 LEU A 106 -9.850 -1.538 1.552 1.00 1.27 H new ATOM 0 HD13 LEU A 106 -9.082 -2.389 0.191 1.00 1.27 H new ATOM 0 HD21 LEU A 106 -10.789 -4.930 0.426 1.00 1.04 H new ATOM 0 HD22 LEU A 106 -9.022 -4.941 0.214 1.00 1.04 H new ATOM 0 HD23 LEU A 106 -9.759 -5.804 1.585 1.00 1.04 H new ATOM 1742 N SER A 107 -10.494 -1.980 4.456 1.00 0.45 N ATOM 1743 CA SER A 107 -11.384 -0.833 4.580 1.00 0.46 C ATOM 1744 C SER A 107 -10.957 0.076 5.727 1.00 0.47 C ATOM 1745 O SER A 107 -10.983 1.301 5.598 1.00 0.51 O ATOM 1746 CB SER A 107 -12.824 -1.291 4.783 1.00 0.54 C ATOM 1747 OG SER A 107 -13.261 -2.075 3.689 1.00 1.15 O ATOM 0 H SER A 107 -10.924 -2.877 4.682 1.00 0.45 H new ATOM 0 HA SER A 107 -11.322 -0.264 3.653 1.00 0.46 H new ATOM 0 HB2 SER A 107 -12.900 -1.869 5.704 1.00 0.54 H new ATOM 0 HB3 SER A 107 -13.474 -0.423 4.897 1.00 0.54 H new ATOM 0 HG SER A 107 -12.752 -2.912 3.663 1.00 1.15 H new ATOM 1753 N ARG A 108 -10.558 -0.519 6.847 1.00 0.49 N ATOM 1754 CA ARG A 108 -10.125 0.265 7.996 1.00 0.55 C ATOM 1755 C ARG A 108 -8.717 0.813 7.776 1.00 0.54 C ATOM 1756 O ARG A 108 -8.395 1.905 8.236 1.00 0.62 O ATOM 1757 CB ARG A 108 -10.194 -0.558 9.289 1.00 0.67 C ATOM 1758 CG ARG A 108 -9.184 -1.692 9.365 1.00 1.10 C ATOM 1759 CD ARG A 108 -9.262 -2.405 10.705 1.00 1.49 C ATOM 1760 NE ARG A 108 -8.237 -3.439 10.839 1.00 2.15 N ATOM 1761 CZ ARG A 108 -7.426 -3.553 11.893 1.00 2.81 C ATOM 1762 NH1 ARG A 108 -7.511 -2.702 12.908 1.00 3.15 N ATOM 1763 NH2 ARG A 108 -6.522 -4.526 11.930 1.00 3.60 N ATOM 0 H ARG A 108 -10.526 -1.530 6.982 1.00 0.49 H new ATOM 0 HA ARG A 108 -10.808 1.108 8.102 1.00 0.55 H new ATOM 0 HB2 ARG A 108 -10.039 0.108 10.138 1.00 0.67 H new ATOM 0 HB3 ARG A 108 -11.197 -0.973 9.388 1.00 0.67 H new ATOM 0 HG2 ARG A 108 -9.370 -2.403 8.560 1.00 1.10 H new ATOM 0 HG3 ARG A 108 -8.178 -1.298 9.217 1.00 1.10 H new ATOM 0 HD2 ARG A 108 -9.150 -1.678 11.509 1.00 1.49 H new ATOM 0 HD3 ARG A 108 -10.248 -2.856 10.818 1.00 1.49 H new ATOM 0 HE ARG A 108 -8.136 -4.114 10.081 1.00 2.15 H new ATOM 0 HH11 ARG A 108 -8.201 -1.951 12.888 1.00 3.15 H new ATOM 0 HH12 ARG A 108 -6.886 -2.799 13.708 1.00 3.15 H new ATOM 0 HH21 ARG A 108 -6.449 -5.184 11.154 1.00 3.60 H new ATOM 0 HH22 ARG A 108 -5.901 -4.615 12.734 1.00 3.60 H new ATOM 1777 N VAL A 109 -7.888 0.070 7.042 1.00 0.53 N ATOM 1778 CA VAL A 109 -6.522 0.506 6.778 1.00 0.60 C ATOM 1779 C VAL A 109 -6.514 1.725 5.847 1.00 0.57 C ATOM 1780 O VAL A 109 -5.743 2.663 6.047 1.00 0.61 O ATOM 1781 CB VAL A 109 -5.645 -0.647 6.209 1.00 0.72 C ATOM 1782 CG1 VAL A 109 -5.690 -0.719 4.689 1.00 1.14 C ATOM 1783 CG2 VAL A 109 -4.209 -0.513 6.694 1.00 1.25 C ATOM 0 H VAL A 109 -8.137 -0.827 6.625 1.00 0.53 H new ATOM 0 HA VAL A 109 -6.079 0.801 7.729 1.00 0.60 H new ATOM 0 HB VAL A 109 -6.064 -1.581 6.584 1.00 0.72 H new ATOM 0 HG11 VAL A 109 -5.061 -1.540 4.345 1.00 1.14 H new ATOM 0 HG12 VAL A 109 -6.716 -0.887 4.363 1.00 1.14 H new ATOM 0 HG13 VAL A 109 -5.325 0.218 4.269 1.00 1.14 H new ATOM 0 HG21 VAL A 109 -3.610 -1.327 6.287 1.00 1.25 H new ATOM 0 HG22 VAL A 109 -3.800 0.441 6.360 1.00 1.25 H new ATOM 0 HG23 VAL A 109 -4.187 -0.556 7.783 1.00 1.25 H new ATOM 1793 N VAL A 110 -7.405 1.732 4.856 1.00 0.54 N ATOM 1794 CA VAL A 110 -7.489 2.849 3.925 1.00 0.59 C ATOM 1795 C VAL A 110 -8.271 3.998 4.555 1.00 0.54 C ATOM 1796 O VAL A 110 -8.141 5.157 4.153 1.00 0.54 O ATOM 1797 CB VAL A 110 -8.135 2.430 2.584 1.00 0.70 C ATOM 1798 CG1 VAL A 110 -9.635 2.220 2.726 1.00 1.11 C ATOM 1799 CG2 VAL A 110 -7.833 3.451 1.500 1.00 1.06 C ATOM 0 H VAL A 110 -8.073 0.981 4.680 1.00 0.54 H new ATOM 0 HA VAL A 110 -6.473 3.181 3.710 1.00 0.59 H new ATOM 0 HB VAL A 110 -7.697 1.476 2.291 1.00 0.70 H new ATOM 0 HG11 VAL A 110 -10.054 1.927 1.764 1.00 1.11 H new ATOM 0 HG12 VAL A 110 -9.825 1.436 3.459 1.00 1.11 H new ATOM 0 HG13 VAL A 110 -10.102 3.147 3.058 1.00 1.11 H new ATOM 0 HG21 VAL A 110 -8.297 3.137 0.565 1.00 1.06 H new ATOM 0 HG22 VAL A 110 -8.231 4.422 1.794 1.00 1.06 H new ATOM 0 HG23 VAL A 110 -6.754 3.527 1.362 1.00 1.06 H new ATOM 1809 N ASN A 111 -9.073 3.667 5.560 1.00 0.55 N ATOM 1810 CA ASN A 111 -9.868 4.661 6.262 1.00 0.59 C ATOM 1811 C ASN A 111 -8.954 5.582 7.048 1.00 0.57 C ATOM 1812 O ASN A 111 -9.145 6.796 7.065 1.00 0.60 O ATOM 1813 CB ASN A 111 -10.872 3.997 7.204 1.00 0.68 C ATOM 1814 CG ASN A 111 -12.300 4.415 6.913 1.00 1.02 C ATOM 1815 OD1 ASN A 111 -12.765 5.447 7.391 1.00 1.61 O ATOM 1816 ND2 ASN A 111 -13.007 3.615 6.131 1.00 1.74 N ATOM 0 H ASN A 111 -9.188 2.714 5.906 1.00 0.55 H new ATOM 0 HA ASN A 111 -10.425 5.239 5.525 1.00 0.59 H new ATOM 0 HB2 ASN A 111 -10.788 2.914 7.115 1.00 0.68 H new ATOM 0 HB3 ASN A 111 -10.624 4.253 8.234 1.00 0.68 H new ATOM 0 HD21 ASN A 111 -13.974 3.847 5.906 1.00 1.74 H new ATOM 0 HD22 ASN A 111 -12.584 2.767 5.754 1.00 1.74 H new ATOM 1823 N ILE A 112 -7.945 4.994 7.682 1.00 0.57 N ATOM 1824 CA ILE A 112 -6.984 5.756 8.461 1.00 0.61 C ATOM 1825 C ILE A 112 -6.227 6.724 7.556 1.00 0.57 C ATOM 1826 O ILE A 112 -5.927 7.850 7.948 1.00 0.62 O ATOM 1827 CB ILE A 112 -5.980 4.830 9.191 1.00 0.70 C ATOM 1828 CG1 ILE A 112 -6.732 3.844 10.092 1.00 0.94 C ATOM 1829 CG2 ILE A 112 -4.986 5.648 10.005 1.00 0.92 C ATOM 1830 CD1 ILE A 112 -5.835 2.842 10.787 1.00 1.21 C ATOM 0 H ILE A 112 -7.774 3.989 7.670 1.00 0.57 H new ATOM 0 HA ILE A 112 -7.538 6.316 9.215 1.00 0.61 H new ATOM 0 HB ILE A 112 -5.422 4.266 8.444 1.00 0.70 H new ATOM 0 HG12 ILE A 112 -7.286 4.405 10.845 1.00 0.94 H new ATOM 0 HG13 ILE A 112 -7.466 3.305 9.492 1.00 0.94 H new ATOM 0 HG21 ILE A 112 -4.290 4.978 10.510 1.00 0.92 H new ATOM 0 HG22 ILE A 112 -4.433 6.313 9.342 1.00 0.92 H new ATOM 0 HG23 ILE A 112 -5.523 6.239 10.747 1.00 0.92 H new ATOM 0 HD11 ILE A 112 -6.440 2.180 11.406 1.00 1.21 H new ATOM 0 HD12 ILE A 112 -5.300 2.254 10.041 1.00 1.21 H new ATOM 0 HD13 ILE A 112 -5.118 3.370 11.415 1.00 1.21 H new ATOM 1842 N LEU A 113 -5.951 6.287 6.331 1.00 0.51 N ATOM 1843 CA LEU A 113 -5.234 7.109 5.364 1.00 0.52 C ATOM 1844 C LEU A 113 -6.010 8.382 5.037 1.00 0.48 C ATOM 1845 O LEU A 113 -5.459 9.483 5.075 1.00 0.53 O ATOM 1846 CB LEU A 113 -4.976 6.326 4.074 1.00 0.56 C ATOM 1847 CG LEU A 113 -4.130 5.061 4.227 1.00 0.74 C ATOM 1848 CD1 LEU A 113 -3.951 4.378 2.882 1.00 1.33 C ATOM 1849 CD2 LEU A 113 -2.776 5.393 4.836 1.00 1.27 C ATOM 0 H LEU A 113 -6.215 5.365 5.984 1.00 0.51 H new ATOM 0 HA LEU A 113 -4.281 7.386 5.815 1.00 0.52 H new ATOM 0 HB2 LEU A 113 -5.937 6.049 3.640 1.00 0.56 H new ATOM 0 HB3 LEU A 113 -4.483 6.987 3.361 1.00 0.56 H new ATOM 0 HG LEU A 113 -4.651 4.378 4.898 1.00 0.74 H new ATOM 0 HD11 LEU A 113 -3.347 3.480 3.008 1.00 1.33 H new ATOM 0 HD12 LEU A 113 -4.927 4.106 2.479 1.00 1.33 H new ATOM 0 HD13 LEU A 113 -3.451 5.058 2.192 1.00 1.33 H new ATOM 0 HD21 LEU A 113 -2.189 4.480 4.937 1.00 1.27 H new ATOM 0 HD22 LEU A 113 -2.248 6.094 4.190 1.00 1.27 H new ATOM 0 HD23 LEU A 113 -2.919 5.843 5.819 1.00 1.27 H new ATOM 1861 N LYS A 114 -7.292 8.234 4.722 1.00 0.47 N ATOM 1862 CA LYS A 114 -8.119 9.385 4.379 1.00 0.50 C ATOM 1863 C LYS A 114 -8.504 10.191 5.620 1.00 0.52 C ATOM 1864 O LYS A 114 -8.727 11.398 5.537 1.00 0.57 O ATOM 1865 CB LYS A 114 -9.373 8.958 3.607 1.00 0.58 C ATOM 1866 CG LYS A 114 -10.282 8.000 4.361 1.00 0.69 C ATOM 1867 CD LYS A 114 -11.719 8.115 3.882 1.00 0.89 C ATOM 1868 CE LYS A 114 -12.619 7.066 4.515 1.00 1.33 C ATOM 1869 NZ LYS A 114 -14.052 7.295 4.187 1.00 1.69 N ATOM 0 H LYS A 114 -7.778 7.337 4.697 1.00 0.47 H new ATOM 0 HA LYS A 114 -7.521 10.028 3.733 1.00 0.50 H new ATOM 0 HB2 LYS A 114 -9.943 9.849 3.344 1.00 0.58 H new ATOM 0 HB3 LYS A 114 -9.067 8.488 2.672 1.00 0.58 H new ATOM 0 HG2 LYS A 114 -9.931 6.977 4.224 1.00 0.69 H new ATOM 0 HG3 LYS A 114 -10.234 8.213 5.429 1.00 0.69 H new ATOM 0 HD2 LYS A 114 -12.100 9.109 4.117 1.00 0.89 H new ATOM 0 HD3 LYS A 114 -11.749 8.010 2.797 1.00 0.89 H new ATOM 0 HE2 LYS A 114 -12.321 6.076 4.170 1.00 1.33 H new ATOM 0 HE3 LYS A 114 -12.487 7.080 5.597 1.00 1.33 H new ATOM 0 HZ1 LYS A 114 -14.633 6.559 4.637 1.00 1.69 H new ATOM 0 HZ2 LYS A 114 -14.344 8.229 4.538 1.00 1.69 H new ATOM 0 HZ3 LYS A 114 -14.183 7.257 3.156 1.00 1.69 H new ATOM 1883 N GLU A 115 -8.580 9.529 6.768 1.00 0.54 N ATOM 1884 CA GLU A 115 -8.934 10.209 8.007 1.00 0.61 C ATOM 1885 C GLU A 115 -7.780 11.066 8.510 1.00 0.61 C ATOM 1886 O GLU A 115 -7.988 12.173 9.001 1.00 0.71 O ATOM 1887 CB GLU A 115 -9.357 9.205 9.078 1.00 0.68 C ATOM 1888 CG GLU A 115 -10.858 8.989 9.123 1.00 0.98 C ATOM 1889 CD GLU A 115 -11.618 10.268 9.414 1.00 1.47 C ATOM 1890 OE1 GLU A 115 -11.753 11.109 8.503 1.00 2.20 O ATOM 1891 OE2 GLU A 115 -12.085 10.442 10.560 1.00 1.99 O ATOM 0 H GLU A 115 -8.403 8.529 6.867 1.00 0.54 H new ATOM 0 HA GLU A 115 -9.779 10.864 7.796 1.00 0.61 H new ATOM 0 HB2 GLU A 115 -8.863 8.252 8.891 1.00 0.68 H new ATOM 0 HB3 GLU A 115 -9.016 9.555 10.052 1.00 0.68 H new ATOM 0 HG2 GLU A 115 -11.192 8.580 8.169 1.00 0.98 H new ATOM 0 HG3 GLU A 115 -11.093 8.248 9.887 1.00 0.98 H new ATOM 1898 N ARG A 116 -6.563 10.559 8.380 1.00 0.57 N ATOM 1899 CA ARG A 116 -5.385 11.298 8.815 1.00 0.62 C ATOM 1900 C ARG A 116 -4.939 12.272 7.730 1.00 0.58 C ATOM 1901 O ARG A 116 -3.966 13.006 7.903 1.00 0.63 O ATOM 1902 CB ARG A 116 -4.246 10.336 9.159 1.00 0.67 C ATOM 1903 CG ARG A 116 -4.562 9.407 10.323 1.00 0.80 C ATOM 1904 CD ARG A 116 -4.655 10.166 11.637 1.00 1.19 C ATOM 1905 NE ARG A 116 -3.375 10.768 12.008 1.00 1.74 N ATOM 1906 CZ ARG A 116 -3.242 11.993 12.513 1.00 2.40 C ATOM 1907 NH1 ARG A 116 -4.310 12.762 12.698 1.00 2.79 N ATOM 1908 NH2 ARG A 116 -2.035 12.449 12.830 1.00 3.23 N ATOM 0 H ARG A 116 -6.365 9.643 7.979 1.00 0.57 H new ATOM 0 HA ARG A 116 -5.645 11.864 9.709 1.00 0.62 H new ATOM 0 HB2 ARG A 116 -4.011 9.736 8.280 1.00 0.67 H new ATOM 0 HB3 ARG A 116 -3.354 10.914 9.399 1.00 0.67 H new ATOM 0 HG2 ARG A 116 -5.504 8.892 10.133 1.00 0.80 H new ATOM 0 HG3 ARG A 116 -3.789 8.642 10.398 1.00 0.80 H new ATOM 0 HD2 ARG A 116 -5.413 10.945 11.554 1.00 1.19 H new ATOM 0 HD3 ARG A 116 -4.980 9.488 12.426 1.00 1.19 H new ATOM 0 HE ARG A 116 -2.530 10.214 11.871 1.00 1.74 H new ATOM 0 HH11 ARG A 116 -5.237 12.415 12.453 1.00 2.79 H new ATOM 0 HH12 ARG A 116 -4.203 13.700 13.085 1.00 2.79 H new ATOM 0 HH21 ARG A 116 -1.214 11.861 12.686 1.00 3.23 H new ATOM 0 HH22 ARG A 116 -1.930 13.387 13.217 1.00 3.23 H new ATOM 1922 N ASN A 117 -5.671 12.263 6.617 1.00 0.52 N ATOM 1923 CA ASN A 117 -5.391 13.131 5.475 1.00 0.52 C ATOM 1924 C ASN A 117 -3.996 12.868 4.925 1.00 0.50 C ATOM 1925 O ASN A 117 -3.212 13.791 4.706 1.00 0.57 O ATOM 1926 CB ASN A 117 -5.549 14.607 5.857 1.00 0.63 C ATOM 1927 CG ASN A 117 -6.777 15.241 5.235 1.00 1.18 C ATOM 1928 OD1 ASN A 117 -6.705 15.867 4.176 1.00 2.00 O ATOM 1929 ND2 ASN A 117 -7.917 15.083 5.890 1.00 1.74 N ATOM 0 H ASN A 117 -6.477 11.652 6.482 1.00 0.52 H new ATOM 0 HA ASN A 117 -6.116 12.902 4.694 1.00 0.52 H new ATOM 0 HB2 ASN A 117 -5.610 14.693 6.942 1.00 0.63 H new ATOM 0 HB3 ASN A 117 -4.662 15.157 5.543 1.00 0.63 H new ATOM 0 HD21 ASN A 117 -8.778 15.487 5.520 1.00 1.74 H new ATOM 0 HD22 ASN A 117 -7.934 14.558 6.764 1.00 1.74 H new ATOM 1936 N ILE A 118 -3.689 11.596 4.719 1.00 0.46 N ATOM 1937 CA ILE A 118 -2.395 11.197 4.187 1.00 0.48 C ATOM 1938 C ILE A 118 -2.288 11.600 2.720 1.00 0.47 C ATOM 1939 O ILE A 118 -1.290 12.173 2.291 1.00 0.54 O ATOM 1940 CB ILE A 118 -2.175 9.672 4.331 1.00 0.50 C ATOM 1941 CG1 ILE A 118 -2.151 9.272 5.811 1.00 0.54 C ATOM 1942 CG2 ILE A 118 -0.893 9.232 3.635 1.00 0.55 C ATOM 1943 CD1 ILE A 118 -1.085 9.980 6.622 1.00 0.61 C ATOM 0 H ILE A 118 -4.321 10.820 4.913 1.00 0.46 H new ATOM 0 HA ILE A 118 -1.622 11.707 4.761 1.00 0.48 H new ATOM 0 HB ILE A 118 -3.009 9.164 3.847 1.00 0.50 H new ATOM 0 HG12 ILE A 118 -3.126 9.482 6.250 1.00 0.54 H new ATOM 0 HG13 ILE A 118 -1.994 8.196 5.884 1.00 0.54 H new ATOM 0 HG21 ILE A 118 -0.766 8.156 3.753 1.00 0.55 H new ATOM 0 HG22 ILE A 118 -0.953 9.476 2.574 1.00 0.55 H new ATOM 0 HG23 ILE A 118 -0.042 9.749 4.079 1.00 0.55 H new ATOM 0 HD11 ILE A 118 -1.132 9.644 7.658 1.00 0.61 H new ATOM 0 HD12 ILE A 118 -0.102 9.750 6.210 1.00 0.61 H new ATOM 0 HD13 ILE A 118 -1.252 11.056 6.582 1.00 0.61 H new ATOM 1955 N PHE A 119 -3.337 11.314 1.966 1.00 0.45 N ATOM 1956 CA PHE A 119 -3.376 11.644 0.553 1.00 0.47 C ATOM 1957 C PHE A 119 -4.218 12.892 0.328 1.00 0.49 C ATOM 1958 O PHE A 119 -4.973 13.307 1.208 1.00 0.51 O ATOM 1959 CB PHE A 119 -3.956 10.485 -0.259 1.00 0.48 C ATOM 1960 CG PHE A 119 -3.154 9.216 -0.188 1.00 0.43 C ATOM 1961 CD1 PHE A 119 -1.784 9.226 -0.406 1.00 1.26 C ATOM 1962 CD2 PHE A 119 -3.776 8.009 0.084 1.00 1.12 C ATOM 1963 CE1 PHE A 119 -1.052 8.054 -0.353 1.00 1.26 C ATOM 1964 CE2 PHE A 119 -3.049 6.836 0.141 1.00 1.13 C ATOM 1965 CZ PHE A 119 -1.686 6.858 -0.079 1.00 0.44 C ATOM 0 H PHE A 119 -4.177 10.851 2.313 1.00 0.45 H new ATOM 0 HA PHE A 119 -2.355 11.830 0.221 1.00 0.47 H new ATOM 0 HB2 PHE A 119 -4.968 10.281 0.092 1.00 0.48 H new ATOM 0 HB3 PHE A 119 -4.036 10.792 -1.302 1.00 0.48 H new ATOM 0 HD1 PHE A 119 -1.284 10.159 -0.619 1.00 1.26 H new ATOM 0 HD2 PHE A 119 -4.842 7.985 0.254 1.00 1.12 H new ATOM 0 HE1 PHE A 119 0.014 8.074 -0.526 1.00 1.26 H new ATOM 0 HE2 PHE A 119 -3.546 5.902 0.358 1.00 1.13 H new ATOM 0 HZ PHE A 119 -1.117 5.941 -0.037 1.00 0.44 H new ATOM 1975 N SER A 120 -4.086 13.482 -0.850 1.00 0.51 N ATOM 1976 CA SER A 120 -4.844 14.672 -1.198 1.00 0.55 C ATOM 1977 C SER A 120 -6.321 14.328 -1.351 1.00 0.50 C ATOM 1978 O SER A 120 -6.667 13.236 -1.811 1.00 0.48 O ATOM 1979 CB SER A 120 -4.310 15.275 -2.500 1.00 0.63 C ATOM 1980 OG SER A 120 -5.194 16.253 -3.020 1.00 1.30 O ATOM 0 H SER A 120 -3.458 13.154 -1.584 1.00 0.51 H new ATOM 0 HA SER A 120 -4.733 15.404 -0.398 1.00 0.55 H new ATOM 0 HB2 SER A 120 -3.333 15.724 -2.320 1.00 0.63 H new ATOM 0 HB3 SER A 120 -4.166 14.484 -3.236 1.00 0.63 H new ATOM 0 HG SER A 120 -4.824 16.620 -3.850 1.00 1.30 H new ATOM 1986 N LYS A 121 -7.188 15.261 -0.977 1.00 0.56 N ATOM 1987 CA LYS A 121 -8.627 15.052 -1.083 1.00 0.56 C ATOM 1988 C LYS A 121 -9.029 14.771 -2.531 1.00 0.53 C ATOM 1989 O LYS A 121 -10.030 14.102 -2.785 1.00 0.52 O ATOM 1990 CB LYS A 121 -9.384 16.272 -0.554 1.00 0.70 C ATOM 1991 CG LYS A 121 -9.112 17.550 -1.336 1.00 1.23 C ATOM 1992 CD LYS A 121 -10.132 18.631 -1.015 1.00 1.78 C ATOM 1993 CE LYS A 121 -11.550 18.158 -1.295 1.00 2.37 C ATOM 1994 NZ LYS A 121 -12.466 19.288 -1.589 1.00 2.85 N ATOM 0 H LYS A 121 -6.920 16.169 -0.598 1.00 0.56 H new ATOM 0 HA LYS A 121 -8.890 14.185 -0.477 1.00 0.56 H new ATOM 0 HB2 LYS A 121 -10.453 16.063 -0.578 1.00 0.70 H new ATOM 0 HB3 LYS A 121 -9.114 16.431 0.490 1.00 0.70 H new ATOM 0 HG2 LYS A 121 -8.111 17.913 -1.104 1.00 1.23 H new ATOM 0 HG3 LYS A 121 -9.133 17.335 -2.404 1.00 1.23 H new ATOM 0 HD2 LYS A 121 -10.043 18.918 0.033 1.00 1.78 H new ATOM 0 HD3 LYS A 121 -9.920 19.521 -1.608 1.00 1.78 H new ATOM 0 HE2 LYS A 121 -11.542 17.469 -2.139 1.00 2.37 H new ATOM 0 HE3 LYS A 121 -11.924 17.603 -0.434 1.00 2.37 H new ATOM 0 HZ1 LYS A 121 -13.421 18.921 -1.774 1.00 2.85 H new ATOM 0 HZ2 LYS A 121 -12.494 19.933 -0.774 1.00 2.85 H new ATOM 0 HZ3 LYS A 121 -12.125 19.803 -2.426 1.00 2.85 H new ATOM 2008 N GLN A 122 -8.223 15.266 -3.469 1.00 0.60 N ATOM 2009 CA GLN A 122 -8.485 15.076 -4.890 1.00 0.67 C ATOM 2010 C GLN A 122 -8.453 13.593 -5.262 1.00 0.60 C ATOM 2011 O GLN A 122 -9.253 13.133 -6.076 1.00 0.73 O ATOM 2012 CB GLN A 122 -7.464 15.851 -5.728 1.00 0.80 C ATOM 2013 CG GLN A 122 -7.484 17.351 -5.478 1.00 1.48 C ATOM 2014 CD GLN A 122 -6.534 18.108 -6.384 1.00 2.20 C ATOM 2015 OE1 GLN A 122 -5.490 17.594 -6.786 1.00 2.95 O ATOM 2016 NE2 GLN A 122 -6.891 19.336 -6.716 1.00 2.69 N ATOM 0 H GLN A 122 -7.380 15.804 -3.267 1.00 0.60 H new ATOM 0 HA GLN A 122 -9.483 15.459 -5.102 1.00 0.67 H new ATOM 0 HB2 GLN A 122 -6.466 15.469 -5.514 1.00 0.80 H new ATOM 0 HB3 GLN A 122 -7.657 15.665 -6.784 1.00 0.80 H new ATOM 0 HG2 GLN A 122 -8.497 17.726 -5.626 1.00 1.48 H new ATOM 0 HG3 GLN A 122 -7.220 17.545 -4.438 1.00 1.48 H new ATOM 0 HE21 GLN A 122 -7.764 19.726 -6.362 1.00 2.69 H new ATOM 0 HE22 GLN A 122 -6.293 19.893 -7.326 1.00 2.69 H new ATOM 2025 N VAL A 123 -7.532 12.843 -4.668 1.00 0.51 N ATOM 2026 CA VAL A 123 -7.431 11.418 -4.954 1.00 0.53 C ATOM 2027 C VAL A 123 -8.302 10.616 -3.990 1.00 0.48 C ATOM 2028 O VAL A 123 -8.852 9.578 -4.356 1.00 0.48 O ATOM 2029 CB VAL A 123 -5.964 10.915 -4.919 1.00 0.67 C ATOM 2030 CG1 VAL A 123 -5.362 11.013 -3.526 1.00 0.95 C ATOM 2031 CG2 VAL A 123 -5.870 9.490 -5.446 1.00 1.28 C ATOM 0 H VAL A 123 -6.852 13.193 -3.993 1.00 0.51 H new ATOM 0 HA VAL A 123 -7.796 11.264 -5.969 1.00 0.53 H new ATOM 0 HB VAL A 123 -5.383 11.567 -5.571 1.00 0.67 H new ATOM 0 HG11 VAL A 123 -4.334 10.650 -3.547 1.00 0.95 H new ATOM 0 HG12 VAL A 123 -5.373 12.052 -3.197 1.00 0.95 H new ATOM 0 HG13 VAL A 123 -5.946 10.407 -2.834 1.00 0.95 H new ATOM 0 HG21 VAL A 123 -4.833 9.157 -5.412 1.00 1.28 H new ATOM 0 HG22 VAL A 123 -6.482 8.833 -4.828 1.00 1.28 H new ATOM 0 HG23 VAL A 123 -6.228 9.458 -6.475 1.00 1.28 H new ATOM 2041 N VAL A 124 -8.454 11.121 -2.766 1.00 0.48 N ATOM 2042 CA VAL A 124 -9.277 10.455 -1.758 1.00 0.49 C ATOM 2043 C VAL A 124 -10.715 10.329 -2.250 1.00 0.47 C ATOM 2044 O VAL A 124 -11.367 9.303 -2.048 1.00 0.50 O ATOM 2045 CB VAL A 124 -9.251 11.215 -0.408 1.00 0.56 C ATOM 2046 CG1 VAL A 124 -10.321 10.691 0.539 1.00 1.23 C ATOM 2047 CG2 VAL A 124 -7.880 11.109 0.240 1.00 1.11 C ATOM 0 H VAL A 124 -8.019 11.987 -2.449 1.00 0.48 H new ATOM 0 HA VAL A 124 -8.859 9.461 -1.596 1.00 0.49 H new ATOM 0 HB VAL A 124 -9.462 12.264 -0.614 1.00 0.56 H new ATOM 0 HG11 VAL A 124 -10.278 11.243 1.478 1.00 1.23 H new ATOM 0 HG12 VAL A 124 -11.304 10.821 0.086 1.00 1.23 H new ATOM 0 HG13 VAL A 124 -10.149 9.632 0.733 1.00 1.23 H new ATOM 0 HG21 VAL A 124 -7.882 11.649 1.187 1.00 1.11 H new ATOM 0 HG22 VAL A 124 -7.643 10.061 0.421 1.00 1.11 H new ATOM 0 HG23 VAL A 124 -7.130 11.541 -0.422 1.00 1.11 H new ATOM 2057 N ASN A 125 -11.185 11.366 -2.935 1.00 0.47 N ATOM 2058 CA ASN A 125 -12.540 11.388 -3.473 1.00 0.50 C ATOM 2059 C ASN A 125 -12.735 10.270 -4.496 1.00 0.49 C ATOM 2060 O ASN A 125 -13.853 9.793 -4.713 1.00 0.55 O ATOM 2061 CB ASN A 125 -12.824 12.740 -4.126 1.00 0.58 C ATOM 2062 CG ASN A 125 -14.306 12.988 -4.318 1.00 1.10 C ATOM 2063 OD1 ASN A 125 -14.903 12.536 -5.299 1.00 1.74 O ATOM 2064 ND2 ASN A 125 -14.910 13.710 -3.388 1.00 1.74 N ATOM 0 H ASN A 125 -10.643 12.208 -3.132 1.00 0.47 H new ATOM 0 HA ASN A 125 -13.237 11.232 -2.649 1.00 0.50 H new ATOM 0 HB2 ASN A 125 -12.402 13.534 -3.510 1.00 0.58 H new ATOM 0 HB3 ASN A 125 -12.322 12.786 -5.093 1.00 0.58 H new ATOM 0 HD21 ASN A 125 -15.907 13.912 -3.466 1.00 1.74 H new ATOM 0 HD22 ASN A 125 -14.379 14.065 -2.593 1.00 1.74 H new ATOM 2071 N ASP A 126 -11.647 9.854 -5.127 1.00 0.47 N ATOM 2072 CA ASP A 126 -11.703 8.785 -6.114 1.00 0.48 C ATOM 2073 C ASP A 126 -11.561 7.430 -5.431 1.00 0.45 C ATOM 2074 O ASP A 126 -12.210 6.459 -5.814 1.00 0.48 O ATOM 2075 CB ASP A 126 -10.610 8.962 -7.168 1.00 0.52 C ATOM 2076 CG ASP A 126 -10.669 7.898 -8.249 1.00 0.76 C ATOM 2077 OD1 ASP A 126 -11.695 7.817 -8.959 1.00 1.44 O ATOM 2078 OD2 ASP A 126 -9.692 7.145 -8.397 1.00 1.43 O ATOM 0 H ASP A 126 -10.715 10.240 -4.974 1.00 0.47 H new ATOM 0 HA ASP A 126 -12.671 8.830 -6.613 1.00 0.48 H new ATOM 0 HB2 ASP A 126 -10.707 9.946 -7.626 1.00 0.52 H new ATOM 0 HB3 ASP A 126 -9.634 8.930 -6.684 1.00 0.52 H new ATOM 2083 N ILE A 127 -10.729 7.378 -4.399 1.00 0.42 N ATOM 2084 CA ILE A 127 -10.505 6.143 -3.657 1.00 0.42 C ATOM 2085 C ILE A 127 -11.807 5.646 -3.028 1.00 0.43 C ATOM 2086 O ILE A 127 -12.196 4.493 -3.212 1.00 0.45 O ATOM 2087 CB ILE A 127 -9.435 6.326 -2.552 1.00 0.42 C ATOM 2088 CG1 ILE A 127 -8.103 6.774 -3.165 1.00 0.44 C ATOM 2089 CG2 ILE A 127 -9.250 5.032 -1.771 1.00 0.47 C ATOM 2090 CD1 ILE A 127 -7.029 7.091 -2.141 1.00 0.46 C ATOM 0 H ILE A 127 -10.197 8.178 -4.056 1.00 0.42 H new ATOM 0 HA ILE A 127 -10.141 5.403 -4.369 1.00 0.42 H new ATOM 0 HB ILE A 127 -9.778 7.100 -1.865 1.00 0.42 H new ATOM 0 HG12 ILE A 127 -7.738 5.990 -3.829 1.00 0.44 H new ATOM 0 HG13 ILE A 127 -8.276 7.657 -3.780 1.00 0.44 H new ATOM 0 HG21 ILE A 127 -8.495 5.178 -0.999 1.00 0.47 H new ATOM 0 HG22 ILE A 127 -10.195 4.749 -1.306 1.00 0.47 H new ATOM 0 HG23 ILE A 127 -8.928 4.241 -2.448 1.00 0.47 H new ATOM 0 HD11 ILE A 127 -6.118 7.400 -2.653 1.00 0.46 H new ATOM 0 HD12 ILE A 127 -7.372 7.897 -1.492 1.00 0.46 H new ATOM 0 HD13 ILE A 127 -6.825 6.204 -1.541 1.00 0.46 H new ATOM 2102 N GLU A 128 -12.500 6.536 -2.320 1.00 0.46 N ATOM 2103 CA GLU A 128 -13.753 6.178 -1.663 1.00 0.51 C ATOM 2104 C GLU A 128 -14.826 5.785 -2.676 1.00 0.52 C ATOM 2105 O GLU A 128 -15.609 4.862 -2.437 1.00 0.55 O ATOM 2106 CB GLU A 128 -14.263 7.329 -0.788 1.00 0.62 C ATOM 2107 CG GLU A 128 -14.441 8.647 -1.534 1.00 1.04 C ATOM 2108 CD GLU A 128 -15.433 9.572 -0.858 1.00 1.37 C ATOM 2109 OE1 GLU A 128 -15.203 9.950 0.307 1.00 2.05 O ATOM 2110 OE2 GLU A 128 -16.448 9.933 -1.493 1.00 1.75 O ATOM 0 H GLU A 128 -12.215 7.506 -2.188 1.00 0.46 H new ATOM 0 HA GLU A 128 -13.547 5.316 -1.029 1.00 0.51 H new ATOM 0 HB2 GLU A 128 -15.218 7.041 -0.348 1.00 0.62 H new ATOM 0 HB3 GLU A 128 -13.566 7.481 0.036 1.00 0.62 H new ATOM 0 HG2 GLU A 128 -13.477 9.149 -1.611 1.00 1.04 H new ATOM 0 HG3 GLU A 128 -14.776 8.442 -2.551 1.00 1.04 H new ATOM 2117 N ARG A 129 -14.850 6.471 -3.815 1.00 0.55 N ATOM 2118 CA ARG A 129 -15.844 6.189 -4.843 1.00 0.64 C ATOM 2119 C ARG A 129 -15.571 4.842 -5.508 1.00 0.59 C ATOM 2120 O ARG A 129 -16.504 4.142 -5.896 1.00 0.62 O ATOM 2121 CB ARG A 129 -15.893 7.312 -5.889 1.00 0.77 C ATOM 2122 CG ARG A 129 -14.908 7.145 -7.034 1.00 1.07 C ATOM 2123 CD ARG A 129 -15.140 8.166 -8.133 1.00 1.55 C ATOM 2124 NE ARG A 129 -14.962 9.542 -7.664 1.00 2.26 N ATOM 2125 CZ ARG A 129 -14.917 10.599 -8.477 1.00 3.05 C ATOM 2126 NH1 ARG A 129 -15.013 10.433 -9.791 1.00 3.37 N ATOM 2127 NH2 ARG A 129 -14.775 11.822 -7.979 1.00 3.98 N ATOM 0 H ARG A 129 -14.198 7.220 -4.047 1.00 0.55 H new ATOM 0 HA ARG A 129 -16.819 6.139 -4.359 1.00 0.64 H new ATOM 0 HB2 ARG A 129 -16.902 7.367 -6.298 1.00 0.77 H new ATOM 0 HB3 ARG A 129 -15.698 8.263 -5.393 1.00 0.77 H new ATOM 0 HG2 ARG A 129 -13.891 7.244 -6.655 1.00 1.07 H new ATOM 0 HG3 ARG A 129 -14.998 6.140 -7.447 1.00 1.07 H new ATOM 0 HD2 ARG A 129 -14.451 7.973 -8.955 1.00 1.55 H new ATOM 0 HD3 ARG A 129 -16.149 8.047 -8.528 1.00 1.55 H new ATOM 0 HE ARG A 129 -14.867 9.701 -6.661 1.00 2.26 H new ATOM 0 HH11 ARG A 129 -15.121 9.496 -10.180 1.00 3.37 H new ATOM 0 HH12 ARG A 129 -14.978 11.242 -10.411 1.00 3.37 H new ATOM 0 HH21 ARG A 129 -14.700 11.957 -6.971 1.00 3.98 H new ATOM 0 HH22 ARG A 129 -14.741 12.627 -8.605 1.00 3.98 H new ATOM 2141 N SER A 130 -14.297 4.475 -5.612 1.00 0.56 N ATOM 2142 CA SER A 130 -13.918 3.211 -6.224 1.00 0.57 C ATOM 2143 C SER A 130 -14.416 2.042 -5.381 1.00 0.54 C ATOM 2144 O SER A 130 -14.907 1.044 -5.911 1.00 0.60 O ATOM 2145 CB SER A 130 -12.397 3.137 -6.387 1.00 0.58 C ATOM 2146 OG SER A 130 -11.916 4.200 -7.199 1.00 0.70 O ATOM 0 H SER A 130 -13.512 5.036 -5.280 1.00 0.56 H new ATOM 0 HA SER A 130 -14.379 3.150 -7.210 1.00 0.57 H new ATOM 0 HB2 SER A 130 -11.921 3.180 -5.407 1.00 0.58 H new ATOM 0 HB3 SER A 130 -12.122 2.181 -6.834 1.00 0.58 H new ATOM 0 HG SER A 130 -11.726 4.980 -6.637 1.00 0.70 H new ATOM 2152 N LEU A 131 -14.310 2.187 -4.063 1.00 0.49 N ATOM 2153 CA LEU A 131 -14.750 1.147 -3.145 1.00 0.50 C ATOM 2154 C LEU A 131 -16.266 0.981 -3.222 1.00 0.52 C ATOM 2155 O LEU A 131 -16.781 -0.135 -3.292 1.00 0.56 O ATOM 2156 CB LEU A 131 -14.335 1.493 -1.709 1.00 0.52 C ATOM 2157 CG LEU A 131 -12.883 1.956 -1.534 1.00 0.83 C ATOM 2158 CD1 LEU A 131 -12.628 2.380 -0.097 1.00 1.28 C ATOM 2159 CD2 LEU A 131 -11.916 0.857 -1.942 1.00 1.33 C ATOM 0 H LEU A 131 -13.923 3.015 -3.609 1.00 0.49 H new ATOM 0 HA LEU A 131 -14.276 0.209 -3.433 1.00 0.50 H new ATOM 0 HB2 LEU A 131 -14.995 2.277 -1.338 1.00 0.52 H new ATOM 0 HB3 LEU A 131 -14.497 0.616 -1.082 1.00 0.52 H new ATOM 0 HG LEU A 131 -12.719 2.816 -2.183 1.00 0.83 H new ATOM 0 HD11 LEU A 131 -11.593 2.705 0.008 1.00 1.28 H new ATOM 0 HD12 LEU A 131 -13.295 3.202 0.164 1.00 1.28 H new ATOM 0 HD13 LEU A 131 -12.813 1.537 0.569 1.00 1.28 H new ATOM 0 HD21 LEU A 131 -10.892 1.206 -1.810 1.00 1.33 H new ATOM 0 HD22 LEU A 131 -12.082 -0.023 -1.321 1.00 1.33 H new ATOM 0 HD23 LEU A 131 -12.079 0.599 -2.988 1.00 1.33 H new ATOM 2171 N ALA A 132 -16.972 2.105 -3.238 1.00 0.56 N ATOM 2172 CA ALA A 132 -18.427 2.098 -3.305 1.00 0.62 C ATOM 2173 C ALA A 132 -18.928 1.604 -4.661 1.00 0.64 C ATOM 2174 O ALA A 132 -19.937 0.907 -4.733 1.00 0.69 O ATOM 2175 CB ALA A 132 -18.973 3.486 -3.015 1.00 0.68 C ATOM 0 H ALA A 132 -16.558 3.036 -3.205 1.00 0.56 H new ATOM 0 HA ALA A 132 -18.790 1.405 -2.546 1.00 0.62 H new ATOM 0 HB1 ALA A 132 -20.062 3.467 -3.068 1.00 0.68 H new ATOM 0 HB2 ALA A 132 -18.664 3.797 -2.017 1.00 0.68 H new ATOM 0 HB3 ALA A 132 -18.586 4.190 -3.751 1.00 0.68 H new ATOM 2181 N ALA A 133 -18.211 1.961 -5.724 1.00 0.66 N ATOM 2182 CA ALA A 133 -18.584 1.567 -7.085 1.00 0.73 C ATOM 2183 C ALA A 133 -18.639 0.053 -7.245 1.00 0.73 C ATOM 2184 O ALA A 133 -19.594 -0.485 -7.802 1.00 0.84 O ATOM 2185 CB ALA A 133 -17.611 2.162 -8.095 1.00 0.84 C ATOM 0 H ALA A 133 -17.363 2.526 -5.671 1.00 0.66 H new ATOM 0 HA ALA A 133 -19.584 1.957 -7.273 1.00 0.73 H new ATOM 0 HB1 ALA A 133 -17.901 1.860 -9.101 1.00 0.84 H new ATOM 0 HB2 ALA A 133 -17.631 3.249 -8.022 1.00 0.84 H new ATOM 0 HB3 ALA A 133 -16.604 1.803 -7.885 1.00 0.84 H new ATOM 2191 N ALA A 134 -17.623 -0.633 -6.745 1.00 0.68 N ATOM 2192 CA ALA A 134 -17.569 -2.083 -6.852 1.00 0.74 C ATOM 2193 C ALA A 134 -18.647 -2.747 -5.998 1.00 0.84 C ATOM 2194 O ALA A 134 -18.996 -3.910 -6.212 1.00 1.12 O ATOM 2195 CB ALA A 134 -16.193 -2.584 -6.461 1.00 0.72 C ATOM 0 H ALA A 134 -16.828 -0.212 -6.263 1.00 0.68 H new ATOM 0 HA ALA A 134 -17.761 -2.353 -7.890 1.00 0.74 H new ATOM 0 HB1 ALA A 134 -16.164 -3.670 -6.545 1.00 0.72 H new ATOM 0 HB2 ALA A 134 -15.445 -2.149 -7.124 1.00 0.72 H new ATOM 0 HB3 ALA A 134 -15.979 -2.294 -5.432 1.00 0.72 H new