USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 827 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 68 THR OG1 : rot -69:sc= 0.771 USER MOD Set 1.2: A 70 MET CE :methyl 170:sc= -1.11 (180deg=-1.32) USER MOD Set 2.1: A 1 MET N :NH3+ 166:sc= 0.0294 (180deg=0) USER MOD Set 2.2: A 44 GLN : amide:sc= -0.62 K(o=-0.59,f=-2.3!) USER MOD Set 3.1: A 11 TYR OH : rot 30:sc= -0.447 USER MOD Set 3.2: A 25 SER OG : rot 175:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= 0.109 K(o=0.11,f=-1.9!) USER MOD Single : A 9 CYS SG : rot -94:sc= 0.148 USER MOD Single : A 10 GLN : amide:sc= -0.36 X(o=-0.36,f=-0.045) USER MOD Single : A 13 SER OG : rot -48:sc= 1.25 USER MOD Single : A 15 HIS : no HE2:sc= 0.0635 X(o=0.063,f=-0.31) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.0308 X(o=-0.031,f=-0.031) USER MOD Single : A 28 GLN : amide:sc=-0.00138 X(o=-0.0014,f=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.0637 K(o=-0.064,f=-2.6) USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -0.46 X(o=-0.46,f=-0.035) USER MOD Single : A 43 GLN : amide:sc= -0.441 X(o=-0.44,f=-0.36) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.414 X(o=-0.41,f=-0.41) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.0504 X(o=-0.05,f=-0.26) USER MOD Single : A 62 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.976) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -10:sc= 0.982 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.664 USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 GLN : amide:sc= -0.102 X(o=-0.1,f=-0.45) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -54:sc= 0.859 USER MOD Single : A 92 LYS NZ :NH3+ 151:sc= -0.101 (180deg=-0.679) USER MOD Single : A 93 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0107) USER MOD Single : A 94 CYS SG : rot -140:sc= -0.32 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0.15 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot -112:sc= 0.166 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.751 0.445 0.267 1.00 0.00 N ATOM 2 CA MET A 1 2.458 0.317 -1.001 1.00 0.00 C ATOM 3 C MET A 1 1.669 -0.547 -1.980 1.00 0.00 C ATOM 4 O MET A 1 1.464 -1.738 -1.745 1.00 0.00 O ATOM 5 CB MET A 1 3.847 -0.285 -0.777 1.00 0.00 C ATOM 6 CG MET A 1 4.956 0.457 -1.505 1.00 0.00 C ATOM 7 SD MET A 1 5.892 1.548 -0.417 1.00 0.00 S ATOM 8 CE MET A 1 7.037 2.285 -1.580 1.00 0.00 C ATOM 0 H1 MET A 1 2.397 0.827 0.987 1.00 0.00 H new ATOM 0 H2 MET A 1 0.943 1.089 0.150 1.00 0.00 H new ATOM 0 H3 MET A 1 1.409 -0.489 0.569 1.00 0.00 H new ATOM 0 HA MET A 1 2.566 1.313 -1.429 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.064 -0.289 0.291 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.841 -1.324 -1.105 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.634 -0.266 -1.959 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.524 1.043 -2.316 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.686 2.987 -1.056 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.642 1.504 -2.039 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.480 2.814 -2.353 1.00 0.00 H new ATOM 18 N ASP A 2 1.227 0.061 -3.075 1.00 0.00 N ATOM 19 CA ASP A 2 0.461 -0.654 -4.089 1.00 0.00 C ATOM 20 C ASP A 2 1.379 -1.487 -4.978 1.00 0.00 C ATOM 21 O ASP A 2 2.527 -1.118 -5.220 1.00 0.00 O ATOM 22 CB ASP A 2 -0.339 0.332 -4.943 1.00 0.00 C ATOM 23 CG ASP A 2 -1.560 -0.308 -5.575 1.00 0.00 C ATOM 24 OD1 ASP A 2 -1.917 -1.433 -5.168 1.00 0.00 O ATOM 25 OD2 ASP A 2 -2.157 0.317 -6.477 1.00 0.00 O ATOM 0 H ASP A 2 1.386 1.047 -3.283 1.00 0.00 H new ATOM 0 HA ASP A 2 -0.229 -1.327 -3.580 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -0.652 1.173 -4.324 1.00 0.00 H new ATOM 0 HB3 ASP A 2 0.303 0.734 -5.726 1.00 0.00 H new ATOM 30 N ASN A 3 0.864 -2.613 -5.461 1.00 0.00 N ATOM 31 CA ASN A 3 1.638 -3.500 -6.322 1.00 0.00 C ATOM 32 C ASN A 3 2.206 -2.739 -7.517 1.00 0.00 C ATOM 33 O ASN A 3 3.342 -2.971 -7.931 1.00 0.00 O ATOM 34 CB ASN A 3 0.768 -4.661 -6.808 1.00 0.00 C ATOM 35 CG ASN A 3 0.235 -5.502 -5.665 1.00 0.00 C ATOM 36 OD1 ASN A 3 -0.613 -5.054 -4.893 1.00 0.00 O ATOM 37 ND2 ASN A 3 0.731 -6.729 -5.552 1.00 0.00 N ATOM 0 H ASN A 3 -0.086 -2.933 -5.271 1.00 0.00 H new ATOM 0 HA ASN A 3 2.469 -3.898 -5.739 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -0.068 -4.268 -7.387 1.00 0.00 H new ATOM 0 HB3 ASN A 3 1.351 -5.292 -7.479 1.00 0.00 H new ATOM 0 HD21 ASN A 3 0.410 -7.342 -4.802 1.00 0.00 H new ATOM 0 HD22 ASN A 3 1.433 -7.058 -6.215 1.00 0.00 H new ATOM 44 N ARG A 4 1.407 -1.830 -8.066 1.00 0.00 N ATOM 45 CA ARG A 4 1.828 -1.036 -9.213 1.00 0.00 C ATOM 46 C ARG A 4 2.926 -0.052 -8.819 1.00 0.00 C ATOM 47 O ARG A 4 3.941 0.070 -9.505 1.00 0.00 O ATOM 48 CB ARG A 4 0.637 -0.279 -9.802 1.00 0.00 C ATOM 49 CG ARG A 4 0.024 -0.956 -11.017 1.00 0.00 C ATOM 50 CD ARG A 4 -1.123 -1.874 -10.623 1.00 0.00 C ATOM 51 NE ARG A 4 -2.202 -1.147 -9.959 1.00 0.00 N ATOM 52 CZ ARG A 4 -3.430 -1.631 -9.809 1.00 0.00 C ATOM 53 NH1 ARG A 4 -3.733 -2.836 -10.272 1.00 0.00 N ATOM 54 NH2 ARG A 4 -4.358 -0.909 -9.193 1.00 0.00 N ATOM 0 H ARG A 4 0.464 -1.625 -7.735 1.00 0.00 H new ATOM 0 HA ARG A 4 2.226 -1.715 -9.967 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -0.128 -0.169 -9.034 1.00 0.00 H new ATOM 0 HB3 ARG A 4 0.957 0.725 -10.079 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -0.337 -0.199 -11.713 1.00 0.00 H new ATOM 0 HG3 ARG A 4 0.789 -1.531 -11.539 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -1.513 -2.369 -11.512 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -0.751 -2.655 -9.960 1.00 0.00 H new ATOM 0 HE ARG A 4 -2.002 -0.217 -9.590 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -3.022 -3.394 -10.745 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -4.677 -3.205 -10.155 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -4.128 0.018 -8.835 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -5.301 -1.281 -9.078 1.00 0.00 H new ATOM 68 N VAL A 5 2.714 0.650 -7.710 1.00 0.00 N ATOM 69 CA VAL A 5 3.685 1.623 -7.224 1.00 0.00 C ATOM 70 C VAL A 5 5.003 0.949 -6.858 1.00 0.00 C ATOM 71 O VAL A 5 6.079 1.492 -7.107 1.00 0.00 O ATOM 72 CB VAL A 5 3.151 2.384 -5.996 1.00 0.00 C ATOM 73 CG1 VAL A 5 4.198 3.354 -5.472 1.00 0.00 C ATOM 74 CG2 VAL A 5 1.861 3.113 -6.341 1.00 0.00 C ATOM 0 H VAL A 5 1.878 0.563 -7.131 1.00 0.00 H new ATOM 0 HA VAL A 5 3.856 2.331 -8.035 1.00 0.00 H new ATOM 0 HB VAL A 5 2.934 1.662 -5.209 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.803 3.882 -4.605 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.093 2.803 -5.184 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.450 4.073 -6.251 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.498 3.645 -5.462 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.049 3.825 -7.144 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.111 2.391 -6.664 1.00 0.00 H new ATOM 84 N ARG A 6 4.910 -0.237 -6.265 1.00 0.00 N ATOM 85 CA ARG A 6 6.094 -0.985 -5.863 1.00 0.00 C ATOM 86 C ARG A 6 6.973 -1.301 -7.070 1.00 0.00 C ATOM 87 O ARG A 6 8.199 -1.235 -6.991 1.00 0.00 O ATOM 88 CB ARG A 6 5.690 -2.282 -5.159 1.00 0.00 C ATOM 89 CG ARG A 6 6.842 -2.972 -4.446 1.00 0.00 C ATOM 90 CD ARG A 6 6.611 -3.032 -2.945 1.00 0.00 C ATOM 91 NE ARG A 6 7.222 -4.215 -2.344 1.00 0.00 N ATOM 92 CZ ARG A 6 7.497 -4.323 -1.049 1.00 0.00 C ATOM 93 NH1 ARG A 6 7.217 -3.324 -0.223 1.00 0.00 N ATOM 94 NH2 ARG A 6 8.052 -5.432 -0.577 1.00 0.00 N ATOM 0 H ARG A 6 4.026 -0.700 -6.053 1.00 0.00 H new ATOM 0 HA ARG A 6 6.666 -0.367 -5.171 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.905 -2.063 -4.435 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.266 -2.967 -5.893 1.00 0.00 H new ATOM 0 HG2 ARG A 6 6.961 -3.982 -4.838 1.00 0.00 H new ATOM 0 HG3 ARG A 6 7.770 -2.439 -4.651 1.00 0.00 H new ATOM 0 HD2 ARG A 6 7.021 -2.136 -2.479 1.00 0.00 H new ATOM 0 HD3 ARG A 6 5.540 -3.035 -2.743 1.00 0.00 H new ATOM 0 HE ARG A 6 7.450 -5.001 -2.952 1.00 0.00 H new ATOM 0 HH11 ARG A 6 6.789 -2.470 -0.582 1.00 0.00 H new ATOM 0 HH12 ARG A 6 7.429 -3.409 0.771 1.00 0.00 H new ATOM 0 HH21 ARG A 6 8.268 -6.203 -1.209 1.00 0.00 H new ATOM 0 HH22 ARG A 6 8.263 -5.513 0.418 1.00 0.00 H new ATOM 108 N GLU A 7 6.336 -1.646 -8.185 1.00 0.00 N ATOM 109 CA GLU A 7 7.061 -1.973 -9.407 1.00 0.00 C ATOM 110 C GLU A 7 7.845 -0.767 -9.915 1.00 0.00 C ATOM 111 O GLU A 7 8.959 -0.904 -10.419 1.00 0.00 O ATOM 112 CB GLU A 7 6.091 -2.457 -10.487 1.00 0.00 C ATOM 113 CG GLU A 7 6.217 -3.938 -10.800 1.00 0.00 C ATOM 114 CD GLU A 7 7.643 -4.350 -11.110 1.00 0.00 C ATOM 115 OE1 GLU A 7 8.419 -3.493 -11.583 1.00 0.00 O ATOM 116 OE2 GLU A 7 7.983 -5.529 -10.880 1.00 0.00 O ATOM 0 H GLU A 7 5.321 -1.706 -8.267 1.00 0.00 H new ATOM 0 HA GLU A 7 7.767 -2.772 -9.178 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.070 -2.248 -10.167 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.262 -1.886 -11.399 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.852 -4.517 -9.952 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.580 -4.181 -11.650 1.00 0.00 H new ATOM 123 N ALA A 8 7.254 0.416 -9.779 1.00 0.00 N ATOM 124 CA ALA A 8 7.896 1.647 -10.222 1.00 0.00 C ATOM 125 C ALA A 8 9.234 1.851 -9.520 1.00 0.00 C ATOM 126 O ALA A 8 10.189 2.351 -10.116 1.00 0.00 O ATOM 127 CB ALA A 8 6.981 2.838 -9.977 1.00 0.00 C ATOM 0 H ALA A 8 6.331 0.547 -9.365 1.00 0.00 H new ATOM 0 HA ALA A 8 8.086 1.564 -11.292 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.474 3.750 -10.313 1.00 0.00 H new ATOM 0 HB2 ALA A 8 6.052 2.703 -10.530 1.00 0.00 H new ATOM 0 HB3 ALA A 8 6.761 2.915 -8.912 1.00 0.00 H new ATOM 133 N CYS A 9 9.296 1.464 -8.251 1.00 0.00 N ATOM 134 CA CYS A 9 10.517 1.606 -7.466 1.00 0.00 C ATOM 135 C CYS A 9 11.663 0.822 -8.097 1.00 0.00 C ATOM 136 O CYS A 9 12.820 1.238 -8.035 1.00 0.00 O ATOM 137 CB CYS A 9 10.285 1.129 -6.032 1.00 0.00 C ATOM 138 SG CYS A 9 8.962 2.007 -5.167 1.00 0.00 S ATOM 0 H CYS A 9 8.515 1.049 -7.743 1.00 0.00 H new ATOM 0 HA CYS A 9 10.788 2.662 -7.450 1.00 0.00 H new ATOM 0 HB2 CYS A 9 10.050 0.065 -6.048 1.00 0.00 H new ATOM 0 HB3 CYS A 9 11.211 1.243 -5.468 1.00 0.00 H new ATOM 0 HG CYS A 9 9.469 2.989 -4.482 1.00 0.00 H new ATOM 144 N GLN A 10 11.333 -0.315 -8.701 1.00 0.00 N ATOM 145 CA GLN A 10 12.336 -1.158 -9.341 1.00 0.00 C ATOM 146 C GLN A 10 13.040 -0.408 -10.467 1.00 0.00 C ATOM 147 O GLN A 10 14.259 -0.497 -10.618 1.00 0.00 O ATOM 148 CB GLN A 10 11.688 -2.431 -9.889 1.00 0.00 C ATOM 149 CG GLN A 10 11.081 -3.316 -8.812 1.00 0.00 C ATOM 150 CD GLN A 10 12.098 -4.244 -8.177 1.00 0.00 C ATOM 151 OE1 GLN A 10 12.230 -4.296 -6.954 1.00 0.00 O ATOM 152 NE2 GLN A 10 12.823 -4.984 -9.008 1.00 0.00 N ATOM 0 H GLN A 10 10.380 -0.673 -8.761 1.00 0.00 H new ATOM 0 HA GLN A 10 13.078 -1.430 -8.590 1.00 0.00 H new ATOM 0 HB2 GLN A 10 10.911 -2.155 -10.602 1.00 0.00 H new ATOM 0 HB3 GLN A 10 12.436 -3.002 -10.438 1.00 0.00 H new ATOM 0 HG2 GLN A 10 10.636 -2.689 -8.040 1.00 0.00 H new ATOM 0 HG3 GLN A 10 10.275 -3.908 -9.245 1.00 0.00 H new ATOM 0 HE21 GLN A 10 12.680 -4.909 -10.015 1.00 0.00 H new ATOM 0 HE22 GLN A 10 13.523 -5.628 -8.639 1.00 0.00 H new ATOM 161 N TYR A 11 12.266 0.331 -11.254 1.00 0.00 N ATOM 162 CA TYR A 11 12.815 1.095 -12.368 1.00 0.00 C ATOM 163 C TYR A 11 13.659 2.262 -11.864 1.00 0.00 C ATOM 164 O TYR A 11 14.755 2.513 -12.367 1.00 0.00 O ATOM 165 CB TYR A 11 11.689 1.613 -13.263 1.00 0.00 C ATOM 166 CG TYR A 11 12.137 2.664 -14.253 1.00 0.00 C ATOM 167 CD1 TYR A 11 12.979 2.337 -15.309 1.00 0.00 C ATOM 168 CD2 TYR A 11 11.718 3.983 -14.134 1.00 0.00 C ATOM 169 CE1 TYR A 11 13.392 3.294 -16.216 1.00 0.00 C ATOM 170 CE2 TYR A 11 12.125 4.947 -15.037 1.00 0.00 C ATOM 171 CZ TYR A 11 12.962 4.597 -16.076 1.00 0.00 C ATOM 172 OH TYR A 11 13.370 5.553 -16.978 1.00 0.00 O ATOM 0 H TYR A 11 11.256 0.417 -11.141 1.00 0.00 H new ATOM 0 HA TYR A 11 13.455 0.432 -12.950 1.00 0.00 H new ATOM 0 HB2 TYR A 11 11.254 0.775 -13.808 1.00 0.00 H new ATOM 0 HB3 TYR A 11 10.900 2.029 -12.636 1.00 0.00 H new ATOM 0 HD1 TYR A 11 13.316 1.317 -15.423 1.00 0.00 H new ATOM 0 HD2 TYR A 11 11.063 4.260 -13.322 1.00 0.00 H new ATOM 0 HE1 TYR A 11 14.048 3.023 -17.030 1.00 0.00 H new ATOM 0 HE2 TYR A 11 11.790 5.968 -14.930 1.00 0.00 H new ATOM 0 HH TYR A 11 13.524 5.135 -17.851 1.00 0.00 H new ATOM 182 N ILE A 12 13.139 2.972 -10.868 1.00 0.00 N ATOM 183 CA ILE A 12 13.844 4.112 -10.295 1.00 0.00 C ATOM 184 C ILE A 12 15.176 3.685 -9.686 1.00 0.00 C ATOM 185 O ILE A 12 16.170 4.406 -9.774 1.00 0.00 O ATOM 186 CB ILE A 12 12.999 4.810 -9.214 1.00 0.00 C ATOM 187 CG1 ILE A 12 11.674 5.296 -9.806 1.00 0.00 C ATOM 188 CG2 ILE A 12 13.771 5.972 -8.606 1.00 0.00 C ATOM 189 CD1 ILE A 12 10.587 5.495 -8.773 1.00 0.00 C ATOM 0 H ILE A 12 12.233 2.778 -10.442 1.00 0.00 H new ATOM 0 HA ILE A 12 14.027 4.812 -11.110 1.00 0.00 H new ATOM 0 HB ILE A 12 12.781 4.091 -8.424 1.00 0.00 H new ATOM 0 HG12 ILE A 12 11.843 6.237 -10.330 1.00 0.00 H new ATOM 0 HG13 ILE A 12 11.331 4.575 -10.548 1.00 0.00 H new ATOM 0 HG21 ILE A 12 13.160 6.455 -7.843 1.00 0.00 H new ATOM 0 HG22 ILE A 12 14.690 5.601 -8.153 1.00 0.00 H new ATOM 0 HG23 ILE A 12 14.016 6.693 -9.385 1.00 0.00 H new ATOM 0 HD11 ILE A 12 9.677 5.840 -9.264 1.00 0.00 H new ATOM 0 HD12 ILE A 12 10.390 4.551 -8.266 1.00 0.00 H new ATOM 0 HD13 ILE A 12 10.910 6.238 -8.044 1.00 0.00 H new ATOM 201 N SER A 13 15.188 2.507 -9.070 1.00 0.00 N ATOM 202 CA SER A 13 16.397 1.985 -8.444 1.00 0.00 C ATOM 203 C SER A 13 17.487 1.746 -9.485 1.00 0.00 C ATOM 204 O SER A 13 18.670 1.964 -9.222 1.00 0.00 O ATOM 205 CB SER A 13 16.091 0.682 -7.702 1.00 0.00 C ATOM 206 OG SER A 13 15.963 -0.402 -8.606 1.00 0.00 O ATOM 0 H SER A 13 14.375 1.897 -8.991 1.00 0.00 H new ATOM 0 HA SER A 13 16.756 2.726 -7.730 1.00 0.00 H new ATOM 0 HB2 SER A 13 16.887 0.471 -6.987 1.00 0.00 H new ATOM 0 HB3 SER A 13 15.170 0.793 -7.130 1.00 0.00 H new ATOM 0 HG SER A 13 15.370 -0.145 -9.343 1.00 0.00 H new ATOM 212 N ASP A 14 17.080 1.296 -10.666 1.00 0.00 N ATOM 213 CA ASP A 14 18.021 1.028 -11.748 1.00 0.00 C ATOM 214 C ASP A 14 18.640 2.323 -12.263 1.00 0.00 C ATOM 215 O ASP A 14 19.682 2.308 -12.919 1.00 0.00 O ATOM 216 CB ASP A 14 17.319 0.293 -12.892 1.00 0.00 C ATOM 217 CG ASP A 14 17.052 -1.163 -12.567 1.00 0.00 C ATOM 218 OD1 ASP A 14 17.733 -1.706 -11.672 1.00 0.00 O ATOM 219 OD2 ASP A 14 16.162 -1.761 -13.208 1.00 0.00 O ATOM 0 H ASP A 14 16.105 1.109 -10.899 1.00 0.00 H new ATOM 0 HA ASP A 14 18.818 0.397 -11.356 1.00 0.00 H new ATOM 0 HB2 ASP A 14 16.376 0.791 -13.115 1.00 0.00 H new ATOM 0 HB3 ASP A 14 17.933 0.355 -13.791 1.00 0.00 H new ATOM 224 N HIS A 15 17.991 3.444 -11.963 1.00 0.00 N ATOM 225 CA HIS A 15 18.478 4.749 -12.396 1.00 0.00 C ATOM 226 C HIS A 15 18.970 5.567 -11.206 1.00 0.00 C ATOM 227 O HIS A 15 19.110 6.788 -11.294 1.00 0.00 O ATOM 228 CB HIS A 15 17.375 5.510 -13.132 1.00 0.00 C ATOM 229 CG HIS A 15 17.204 5.087 -14.558 1.00 0.00 C ATOM 230 ND1 HIS A 15 17.367 5.949 -15.623 1.00 0.00 N ATOM 231 CD2 HIS A 15 16.886 3.886 -15.094 1.00 0.00 C ATOM 232 CE1 HIS A 15 17.154 5.296 -16.751 1.00 0.00 C ATOM 233 NE2 HIS A 15 16.861 4.041 -16.458 1.00 0.00 N ATOM 0 H HIS A 15 17.127 3.475 -11.422 1.00 0.00 H new ATOM 0 HA HIS A 15 19.315 4.590 -13.076 1.00 0.00 H new ATOM 0 HB2 HIS A 15 16.432 5.367 -12.604 1.00 0.00 H new ATOM 0 HB3 HIS A 15 17.599 6.576 -13.102 1.00 0.00 H new ATOM 0 HD1 HIS A 15 17.613 6.936 -15.550 1.00 0.00 H new ATOM 0 HD2 HIS A 15 16.688 2.974 -14.550 1.00 0.00 H new ATOM 0 HE1 HIS A 15 17.210 5.716 -17.744 1.00 0.00 H new ATOM 241 N LEU A 16 19.231 4.888 -10.095 1.00 0.00 N ATOM 242 CA LEU A 16 19.708 5.552 -8.886 1.00 0.00 C ATOM 243 C LEU A 16 20.932 6.411 -9.184 1.00 0.00 C ATOM 244 O LEU A 16 21.077 7.510 -8.649 1.00 0.00 O ATOM 245 CB LEU A 16 20.045 4.518 -7.811 1.00 0.00 C ATOM 246 CG LEU A 16 19.993 5.011 -6.365 1.00 0.00 C ATOM 247 CD1 LEU A 16 21.055 6.073 -6.125 1.00 0.00 C ATOM 248 CD2 LEU A 16 18.610 5.554 -6.036 1.00 0.00 C ATOM 0 H LEU A 16 19.121 3.878 -10.006 1.00 0.00 H new ATOM 0 HA LEU A 16 18.912 6.201 -8.519 1.00 0.00 H new ATOM 0 HB2 LEU A 16 19.356 3.680 -7.913 1.00 0.00 H new ATOM 0 HB3 LEU A 16 21.046 4.133 -8.007 1.00 0.00 H new ATOM 0 HG LEU A 16 20.196 4.167 -5.706 1.00 0.00 H new ATOM 0 HD11 LEU A 16 21.003 6.412 -5.090 1.00 0.00 H new ATOM 0 HD12 LEU A 16 22.041 5.652 -6.320 1.00 0.00 H new ATOM 0 HD13 LEU A 16 20.883 6.917 -6.793 1.00 0.00 H new ATOM 0 HD21 LEU A 16 18.591 5.900 -5.003 1.00 0.00 H new ATOM 0 HD22 LEU A 16 18.378 6.385 -6.702 1.00 0.00 H new ATOM 0 HD23 LEU A 16 17.869 4.766 -6.168 1.00 0.00 H new ATOM 260 N ALA A 17 21.811 5.903 -10.042 1.00 0.00 N ATOM 261 CA ALA A 17 23.021 6.626 -10.415 1.00 0.00 C ATOM 262 C ALA A 17 22.726 7.682 -11.474 1.00 0.00 C ATOM 263 O ALA A 17 23.489 8.632 -11.647 1.00 0.00 O ATOM 264 CB ALA A 17 24.082 5.656 -10.914 1.00 0.00 C ATOM 0 H ALA A 17 21.708 4.993 -10.492 1.00 0.00 H new ATOM 0 HA ALA A 17 23.398 7.135 -9.528 1.00 0.00 H new ATOM 0 HB1 ALA A 17 24.980 6.209 -11.189 1.00 0.00 H new ATOM 0 HB2 ALA A 17 24.322 4.943 -10.126 1.00 0.00 H new ATOM 0 HB3 ALA A 17 23.705 5.121 -11.785 1.00 0.00 H new ATOM 270 N ASP A 18 21.615 7.509 -12.182 1.00 0.00 N ATOM 271 CA ASP A 18 21.219 8.447 -13.225 1.00 0.00 C ATOM 272 C ASP A 18 20.969 9.835 -12.642 1.00 0.00 C ATOM 273 O ASP A 18 20.645 9.974 -11.462 1.00 0.00 O ATOM 274 CB ASP A 18 19.963 7.948 -13.941 1.00 0.00 C ATOM 275 CG ASP A 18 19.935 8.342 -15.404 1.00 0.00 C ATOM 276 OD1 ASP A 18 20.977 8.200 -16.078 1.00 0.00 O ATOM 277 OD2 ASP A 18 18.870 8.791 -15.877 1.00 0.00 O ATOM 0 H ASP A 18 20.973 6.727 -12.052 1.00 0.00 H new ATOM 0 HA ASP A 18 22.035 8.516 -13.945 1.00 0.00 H new ATOM 0 HB2 ASP A 18 19.909 6.862 -13.859 1.00 0.00 H new ATOM 0 HB3 ASP A 18 19.081 8.350 -13.443 1.00 0.00 H new ATOM 282 N SER A 19 21.123 10.858 -13.476 1.00 0.00 N ATOM 283 CA SER A 19 20.919 12.235 -13.041 1.00 0.00 C ATOM 284 C SER A 19 19.554 12.749 -13.488 1.00 0.00 C ATOM 285 O SER A 19 18.791 13.290 -12.690 1.00 0.00 O ATOM 286 CB SER A 19 22.023 13.137 -13.597 1.00 0.00 C ATOM 287 OG SER A 19 23.290 12.773 -13.075 1.00 0.00 O ATOM 0 H SER A 19 21.388 10.760 -14.456 1.00 0.00 H new ATOM 0 HA SER A 19 20.957 12.255 -11.952 1.00 0.00 H new ATOM 0 HB2 SER A 19 22.041 13.067 -14.685 1.00 0.00 H new ATOM 0 HB3 SER A 19 21.808 14.176 -13.348 1.00 0.00 H new ATOM 0 HG SER A 19 23.979 13.363 -13.447 1.00 0.00 H new ATOM 293 N ASN A 20 19.255 12.576 -14.772 1.00 0.00 N ATOM 294 CA ASN A 20 17.982 13.023 -15.327 1.00 0.00 C ATOM 295 C ASN A 20 16.891 11.983 -15.092 1.00 0.00 C ATOM 296 O ASN A 20 16.885 10.922 -15.716 1.00 0.00 O ATOM 297 CB ASN A 20 18.125 13.299 -16.825 1.00 0.00 C ATOM 298 CG ASN A 20 19.457 13.934 -17.172 1.00 0.00 C ATOM 299 OD1 ASN A 20 19.809 14.992 -16.648 1.00 0.00 O ATOM 300 ND2 ASN A 20 20.206 13.290 -18.059 1.00 0.00 N ATOM 0 H ASN A 20 19.876 12.130 -15.447 1.00 0.00 H new ATOM 0 HA ASN A 20 17.696 13.944 -14.820 1.00 0.00 H new ATOM 0 HB2 ASN A 20 18.017 12.365 -17.376 1.00 0.00 H new ATOM 0 HB3 ASN A 20 17.317 13.955 -17.149 1.00 0.00 H new ATOM 0 HD21 ASN A 20 21.113 13.669 -18.332 1.00 0.00 H new ATOM 0 HD22 ASN A 20 19.875 12.416 -18.468 1.00 0.00 H new ATOM 307 N PHE A 21 15.969 12.295 -14.187 1.00 0.00 N ATOM 308 CA PHE A 21 14.873 11.387 -13.868 1.00 0.00 C ATOM 309 C PHE A 21 13.665 11.659 -14.760 1.00 0.00 C ATOM 310 O PHE A 21 13.277 12.809 -14.965 1.00 0.00 O ATOM 311 CB PHE A 21 14.477 11.529 -12.397 1.00 0.00 C ATOM 312 CG PHE A 21 13.445 10.531 -11.956 1.00 0.00 C ATOM 313 CD1 PHE A 21 13.540 9.202 -12.335 1.00 0.00 C ATOM 314 CD2 PHE A 21 12.379 10.923 -11.161 1.00 0.00 C ATOM 315 CE1 PHE A 21 12.592 8.281 -11.930 1.00 0.00 C ATOM 316 CE2 PHE A 21 11.429 10.006 -10.753 1.00 0.00 C ATOM 317 CZ PHE A 21 11.534 8.684 -11.139 1.00 0.00 C ATOM 0 H PHE A 21 15.959 13.169 -13.662 1.00 0.00 H new ATOM 0 HA PHE A 21 15.214 10.368 -14.049 1.00 0.00 H new ATOM 0 HB2 PHE A 21 15.367 11.418 -11.777 1.00 0.00 H new ATOM 0 HB3 PHE A 21 14.094 12.535 -12.227 1.00 0.00 H new ATOM 0 HD1 PHE A 21 14.365 8.882 -12.954 1.00 0.00 H new ATOM 0 HD2 PHE A 21 12.290 11.956 -10.857 1.00 0.00 H new ATOM 0 HE1 PHE A 21 12.679 7.248 -12.232 1.00 0.00 H new ATOM 0 HE2 PHE A 21 10.604 10.323 -10.132 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.791 7.967 -10.823 1.00 0.00 H new ATOM 327 N ASP A 22 13.076 10.592 -15.289 1.00 0.00 N ATOM 328 CA ASP A 22 11.912 10.714 -16.159 1.00 0.00 C ATOM 329 C ASP A 22 10.689 10.058 -15.526 1.00 0.00 C ATOM 330 O ASP A 22 10.563 8.833 -15.520 1.00 0.00 O ATOM 331 CB ASP A 22 12.199 10.080 -17.521 1.00 0.00 C ATOM 332 CG ASP A 22 11.753 10.958 -18.674 1.00 0.00 C ATOM 333 OD1 ASP A 22 10.529 11.123 -18.857 1.00 0.00 O ATOM 334 OD2 ASP A 22 12.630 11.482 -19.393 1.00 0.00 O ATOM 0 H ASP A 22 13.385 9.633 -15.131 1.00 0.00 H new ATOM 0 HA ASP A 22 11.702 11.775 -16.297 1.00 0.00 H new ATOM 0 HB2 ASP A 22 13.268 9.884 -17.609 1.00 0.00 H new ATOM 0 HB3 ASP A 22 11.692 9.117 -17.584 1.00 0.00 H new ATOM 339 N ILE A 23 9.792 10.881 -14.993 1.00 0.00 N ATOM 340 CA ILE A 23 8.580 10.380 -14.357 1.00 0.00 C ATOM 341 C ILE A 23 7.712 9.618 -15.352 1.00 0.00 C ATOM 342 O ILE A 23 6.941 8.737 -14.972 1.00 0.00 O ATOM 343 CB ILE A 23 7.753 11.525 -13.743 1.00 0.00 C ATOM 344 CG1 ILE A 23 6.637 10.960 -12.861 1.00 0.00 C ATOM 345 CG2 ILE A 23 7.174 12.407 -14.838 1.00 0.00 C ATOM 346 CD1 ILE A 23 7.143 10.277 -11.610 1.00 0.00 C ATOM 0 H ILE A 23 9.882 11.897 -14.989 1.00 0.00 H new ATOM 0 HA ILE A 23 8.896 9.704 -13.563 1.00 0.00 H new ATOM 0 HB ILE A 23 8.409 12.135 -13.122 1.00 0.00 H new ATOM 0 HG12 ILE A 23 5.965 11.769 -12.577 1.00 0.00 H new ATOM 0 HG13 ILE A 23 6.051 10.248 -13.442 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.592 13.211 -14.388 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.985 12.833 -15.429 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.529 11.810 -15.483 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.298 9.901 -11.033 1.00 0.00 H new ATOM 0 HD12 ILE A 23 7.792 9.446 -11.886 1.00 0.00 H new ATOM 0 HD13 ILE A 23 7.704 10.991 -11.007 1.00 0.00 H new ATOM 358 N ALA A 24 7.844 9.962 -16.629 1.00 0.00 N ATOM 359 CA ALA A 24 7.075 9.307 -17.680 1.00 0.00 C ATOM 360 C ALA A 24 7.386 7.816 -17.741 1.00 0.00 C ATOM 361 O ALA A 24 6.482 6.987 -17.848 1.00 0.00 O ATOM 362 CB ALA A 24 7.355 9.962 -19.025 1.00 0.00 C ATOM 0 H ALA A 24 8.476 10.691 -16.961 1.00 0.00 H new ATOM 0 HA ALA A 24 6.017 9.421 -17.446 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.774 9.463 -19.801 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.075 11.015 -18.982 1.00 0.00 H new ATOM 0 HB3 ALA A 24 8.417 9.878 -19.256 1.00 0.00 H new ATOM 368 N SER A 25 8.670 7.480 -17.672 1.00 0.00 N ATOM 369 CA SER A 25 9.101 6.088 -17.723 1.00 0.00 C ATOM 370 C SER A 25 8.597 5.319 -16.506 1.00 0.00 C ATOM 371 O SER A 25 8.362 4.112 -16.573 1.00 0.00 O ATOM 372 CB SER A 25 10.626 6.006 -17.798 1.00 0.00 C ATOM 373 OG SER A 25 11.121 6.711 -18.923 1.00 0.00 O ATOM 0 H SER A 25 9.431 8.153 -17.581 1.00 0.00 H new ATOM 0 HA SER A 25 8.677 5.634 -18.619 1.00 0.00 H new ATOM 0 HB2 SER A 25 11.060 6.418 -16.887 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.935 4.962 -17.855 1.00 0.00 H new ATOM 0 HG SER A 25 12.101 6.718 -18.900 1.00 0.00 H new ATOM 379 N VAL A 26 8.434 6.026 -15.392 1.00 0.00 N ATOM 380 CA VAL A 26 7.958 5.412 -14.159 1.00 0.00 C ATOM 381 C VAL A 26 6.518 4.932 -14.304 1.00 0.00 C ATOM 382 O VAL A 26 6.204 3.779 -14.012 1.00 0.00 O ATOM 383 CB VAL A 26 8.044 6.392 -12.974 1.00 0.00 C ATOM 384 CG1 VAL A 26 7.543 5.732 -11.698 1.00 0.00 C ATOM 385 CG2 VAL A 26 9.469 6.894 -12.801 1.00 0.00 C ATOM 0 H VAL A 26 8.625 7.025 -15.319 1.00 0.00 H new ATOM 0 HA VAL A 26 8.605 4.557 -13.961 1.00 0.00 H new ATOM 0 HB VAL A 26 7.405 7.249 -13.186 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.611 6.439 -10.872 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.505 5.427 -11.830 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.153 4.856 -11.477 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.512 7.585 -11.959 1.00 0.00 H new ATOM 0 HG22 VAL A 26 10.132 6.050 -12.611 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.787 7.407 -13.709 1.00 0.00 H new ATOM 395 N ALA A 27 5.645 5.826 -14.758 1.00 0.00 N ATOM 396 CA ALA A 27 4.239 5.494 -14.945 1.00 0.00 C ATOM 397 C ALA A 27 4.058 4.488 -16.077 1.00 0.00 C ATOM 398 O ALA A 27 3.304 3.524 -15.947 1.00 0.00 O ATOM 399 CB ALA A 27 3.431 6.753 -15.222 1.00 0.00 C ATOM 0 H ALA A 27 5.888 6.786 -15.003 1.00 0.00 H new ATOM 0 HA ALA A 27 3.874 5.037 -14.025 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.382 6.489 -15.360 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.525 7.439 -14.380 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.806 7.234 -16.125 1.00 0.00 H new ATOM 405 N GLN A 28 4.753 4.721 -17.186 1.00 0.00 N ATOM 406 CA GLN A 28 4.667 3.835 -18.341 1.00 0.00 C ATOM 407 C GLN A 28 5.136 2.428 -17.984 1.00 0.00 C ATOM 408 O GLN A 28 4.594 1.438 -18.477 1.00 0.00 O ATOM 409 CB GLN A 28 5.503 4.386 -19.497 1.00 0.00 C ATOM 410 CG GLN A 28 5.553 3.466 -20.705 1.00 0.00 C ATOM 411 CD GLN A 28 5.828 4.212 -21.996 1.00 0.00 C ATOM 412 OE1 GLN A 28 6.815 4.939 -22.108 1.00 0.00 O ATOM 413 NE2 GLN A 28 4.954 4.035 -22.980 1.00 0.00 N ATOM 0 H GLN A 28 5.381 5.515 -17.309 1.00 0.00 H new ATOM 0 HA GLN A 28 3.623 3.783 -18.650 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.095 5.350 -19.802 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.519 4.566 -19.146 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.327 2.714 -20.552 1.00 0.00 H new ATOM 0 HG3 GLN A 28 4.605 2.935 -20.792 1.00 0.00 H new ATOM 0 HE21 GLN A 28 4.150 3.423 -22.844 1.00 0.00 H new ATOM 0 HE22 GLN A 28 5.087 4.511 -23.872 1.00 0.00 H new ATOM 422 N HIS A 29 6.146 2.347 -17.124 1.00 0.00 N ATOM 423 CA HIS A 29 6.688 1.061 -16.701 1.00 0.00 C ATOM 424 C HIS A 29 5.597 0.185 -16.092 1.00 0.00 C ATOM 425 O HIS A 29 5.609 -1.036 -16.245 1.00 0.00 O ATOM 426 CB HIS A 29 7.817 1.267 -15.690 1.00 0.00 C ATOM 427 CG HIS A 29 8.245 0.005 -15.005 1.00 0.00 C ATOM 428 ND1 HIS A 29 8.330 -1.210 -15.651 1.00 0.00 N ATOM 429 CD2 HIS A 29 8.616 -0.224 -13.724 1.00 0.00 C ATOM 430 CE1 HIS A 29 8.732 -2.133 -14.796 1.00 0.00 C ATOM 431 NE2 HIS A 29 8.913 -1.561 -13.619 1.00 0.00 N ATOM 0 H HIS A 29 6.605 3.156 -16.707 1.00 0.00 H new ATOM 0 HA HIS A 29 7.086 0.555 -17.581 1.00 0.00 H new ATOM 0 HB2 HIS A 29 8.676 1.703 -16.200 1.00 0.00 H new ATOM 0 HB3 HIS A 29 7.494 1.987 -14.938 1.00 0.00 H new ATOM 0 HD2 HIS A 29 8.669 0.508 -12.932 1.00 0.00 H new ATOM 0 HE1 HIS A 29 8.887 -3.178 -15.021 1.00 0.00 H new ATOM 0 HE2 HIS A 29 9.223 -2.035 -12.771 1.00 0.00 H new ATOM 439 N VAL A 30 4.655 0.818 -15.399 1.00 0.00 N ATOM 440 CA VAL A 30 3.557 0.097 -14.767 1.00 0.00 C ATOM 441 C VAL A 30 2.296 0.157 -15.622 1.00 0.00 C ATOM 442 O VAL A 30 1.185 -0.023 -15.122 1.00 0.00 O ATOM 443 CB VAL A 30 3.244 0.665 -13.370 1.00 0.00 C ATOM 444 CG1 VAL A 30 4.462 0.561 -12.465 1.00 0.00 C ATOM 445 CG2 VAL A 30 2.769 2.107 -13.475 1.00 0.00 C ATOM 0 H VAL A 30 4.631 1.828 -15.261 1.00 0.00 H new ATOM 0 HA VAL A 30 3.875 -0.941 -14.667 1.00 0.00 H new ATOM 0 HB VAL A 30 2.442 0.073 -12.928 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.221 0.967 -11.483 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.752 -0.485 -12.364 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.287 1.126 -12.899 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.552 2.492 -12.479 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.548 2.714 -13.937 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.866 2.149 -14.084 1.00 0.00 H new ATOM 455 N CYS A 31 2.476 0.409 -16.914 1.00 0.00 N ATOM 456 CA CYS A 31 1.352 0.492 -17.840 1.00 0.00 C ATOM 457 C CYS A 31 0.288 1.452 -17.319 1.00 0.00 C ATOM 458 O CYS A 31 -0.910 1.220 -17.489 1.00 0.00 O ATOM 459 CB CYS A 31 0.743 -0.893 -18.061 1.00 0.00 C ATOM 460 SG CYS A 31 1.719 -1.965 -19.142 1.00 0.00 S ATOM 0 H CYS A 31 3.389 0.559 -17.344 1.00 0.00 H new ATOM 0 HA CYS A 31 1.724 0.873 -18.791 1.00 0.00 H new ATOM 0 HB2 CYS A 31 0.621 -1.383 -17.095 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -0.254 -0.776 -18.487 1.00 0.00 H new ATOM 0 HG CYS A 31 1.124 -3.114 -19.266 1.00 0.00 H new ATOM 466 N LEU A 32 0.732 2.530 -16.682 1.00 0.00 N ATOM 467 CA LEU A 32 -0.183 3.525 -16.134 1.00 0.00 C ATOM 468 C LEU A 32 0.289 4.938 -16.464 1.00 0.00 C ATOM 469 O LEU A 32 1.439 5.145 -16.848 1.00 0.00 O ATOM 470 CB LEU A 32 -0.302 3.356 -14.618 1.00 0.00 C ATOM 471 CG LEU A 32 -1.685 3.615 -14.021 1.00 0.00 C ATOM 472 CD1 LEU A 32 -1.973 2.635 -12.895 1.00 0.00 C ATOM 473 CD2 LEU A 32 -1.791 5.049 -13.522 1.00 0.00 C ATOM 0 H LEU A 32 1.719 2.737 -16.532 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.162 3.373 -16.589 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.002 2.340 -14.361 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.410 4.029 -14.140 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.430 3.467 -14.803 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.962 2.835 -12.483 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.940 1.616 -13.282 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.223 2.750 -12.112 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.782 5.215 -13.100 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.036 5.224 -12.755 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.630 5.736 -14.353 1.00 0.00 H new ATOM 485 N SER A 33 -0.608 5.907 -16.309 1.00 0.00 N ATOM 486 CA SER A 33 -0.285 7.300 -16.592 1.00 0.00 C ATOM 487 C SER A 33 0.489 7.924 -15.435 1.00 0.00 C ATOM 488 O SER A 33 0.435 7.459 -14.296 1.00 0.00 O ATOM 489 CB SER A 33 -1.563 8.099 -16.855 1.00 0.00 C ATOM 490 OG SER A 33 -2.006 7.928 -18.190 1.00 0.00 O ATOM 0 H SER A 33 -1.564 5.752 -15.989 1.00 0.00 H new ATOM 0 HA SER A 33 0.342 7.328 -17.483 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.344 7.779 -16.166 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.381 9.156 -16.662 1.00 0.00 H new ATOM 0 HG SER A 33 -2.825 8.447 -18.332 1.00 0.00 H new ATOM 496 N PRO A 34 1.228 9.003 -15.732 1.00 0.00 N ATOM 497 CA PRO A 34 2.028 9.715 -14.731 1.00 0.00 C ATOM 498 C PRO A 34 1.162 10.464 -13.724 1.00 0.00 C ATOM 499 O PRO A 34 1.475 10.508 -12.534 1.00 0.00 O ATOM 500 CB PRO A 34 2.848 10.700 -15.568 1.00 0.00 C ATOM 501 CG PRO A 34 2.040 10.915 -16.801 1.00 0.00 C ATOM 502 CD PRO A 34 1.339 9.611 -17.069 1.00 0.00 C ATOM 0 HA PRO A 34 2.634 9.034 -14.134 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.009 11.636 -15.033 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.832 10.295 -15.805 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.322 11.723 -16.661 1.00 0.00 H new ATOM 0 HG3 PRO A 34 2.676 11.196 -17.640 1.00 0.00 H new ATOM 0 HD2 PRO A 34 0.360 9.767 -17.522 1.00 0.00 H new ATOM 0 HD3 PRO A 34 1.910 8.981 -17.751 1.00 0.00 H new ATOM 510 N SER A 35 0.073 11.052 -14.208 1.00 0.00 N ATOM 511 CA SER A 35 -0.837 11.802 -13.350 1.00 0.00 C ATOM 512 C SER A 35 -1.542 10.876 -12.364 1.00 0.00 C ATOM 513 O SER A 35 -1.619 11.165 -11.170 1.00 0.00 O ATOM 514 CB SER A 35 -1.871 12.548 -14.195 1.00 0.00 C ATOM 515 OG SER A 35 -2.569 13.506 -13.419 1.00 0.00 O ATOM 0 H SER A 35 -0.201 11.024 -15.190 1.00 0.00 H new ATOM 0 HA SER A 35 -0.250 12.526 -12.785 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.374 13.043 -15.029 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.578 11.837 -14.622 1.00 0.00 H new ATOM 0 HG SER A 35 -3.223 13.970 -13.983 1.00 0.00 H new ATOM 521 N ARG A 36 -2.055 9.760 -12.873 1.00 0.00 N ATOM 522 CA ARG A 36 -2.755 8.791 -12.039 1.00 0.00 C ATOM 523 C ARG A 36 -1.783 8.068 -11.112 1.00 0.00 C ATOM 524 O ARG A 36 -2.097 7.801 -9.952 1.00 0.00 O ATOM 525 CB ARG A 36 -3.496 7.776 -12.912 1.00 0.00 C ATOM 526 CG ARG A 36 -4.908 8.203 -13.278 1.00 0.00 C ATOM 527 CD ARG A 36 -5.838 8.139 -12.076 1.00 0.00 C ATOM 528 NE ARG A 36 -7.230 8.377 -12.449 1.00 0.00 N ATOM 529 CZ ARG A 36 -8.255 8.178 -11.627 1.00 0.00 C ATOM 530 NH1 ARG A 36 -8.045 7.740 -10.394 1.00 0.00 N ATOM 531 NH2 ARG A 36 -9.493 8.418 -12.039 1.00 0.00 N ATOM 0 H ARG A 36 -1.999 9.505 -13.859 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.478 9.331 -11.428 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.926 7.612 -13.827 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.539 6.821 -12.388 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.891 9.219 -13.673 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.290 7.559 -14.070 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.752 7.161 -11.602 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.529 8.879 -11.338 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.426 8.714 -13.391 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.095 7.555 -10.074 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.834 7.588 -9.765 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.659 8.755 -12.987 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.279 8.265 -11.408 1.00 0.00 H new ATOM 545 N LEU A 37 -0.602 7.753 -11.633 1.00 0.00 N ATOM 546 CA LEU A 37 0.418 7.060 -10.852 1.00 0.00 C ATOM 547 C LEU A 37 0.981 7.968 -9.764 1.00 0.00 C ATOM 548 O LEU A 37 1.149 7.549 -8.618 1.00 0.00 O ATOM 549 CB LEU A 37 1.547 6.578 -11.765 1.00 0.00 C ATOM 550 CG LEU A 37 2.826 6.118 -11.065 1.00 0.00 C ATOM 551 CD1 LEU A 37 3.144 4.676 -11.428 1.00 0.00 C ATOM 552 CD2 LEU A 37 3.989 7.030 -11.427 1.00 0.00 C ATOM 0 H LEU A 37 -0.327 7.966 -12.592 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.048 6.198 -10.375 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.171 5.753 -12.370 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.802 7.386 -12.451 1.00 0.00 H new ATOM 0 HG LEU A 37 2.668 6.173 -9.988 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.058 4.366 -10.921 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.321 4.033 -11.118 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.282 4.594 -12.506 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.891 6.688 -10.920 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.148 7.007 -12.505 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.762 8.050 -11.116 1.00 0.00 H new ATOM 564 N SER A 38 1.269 9.213 -10.129 1.00 0.00 N ATOM 565 CA SER A 38 1.814 10.180 -9.183 1.00 0.00 C ATOM 566 C SER A 38 0.857 10.397 -8.015 1.00 0.00 C ATOM 567 O SER A 38 1.280 10.516 -6.865 1.00 0.00 O ATOM 568 CB SER A 38 2.091 11.511 -9.885 1.00 0.00 C ATOM 569 OG SER A 38 2.604 12.470 -8.977 1.00 0.00 O ATOM 0 H SER A 38 1.134 9.576 -11.073 1.00 0.00 H new ATOM 0 HA SER A 38 2.750 9.781 -8.793 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.803 11.357 -10.696 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.172 11.887 -10.335 1.00 0.00 H new ATOM 0 HG SER A 38 2.774 13.311 -9.451 1.00 0.00 H new ATOM 575 N HIS A 39 -0.436 10.449 -8.320 1.00 0.00 N ATOM 576 CA HIS A 39 -1.455 10.652 -7.296 1.00 0.00 C ATOM 577 C HIS A 39 -1.404 9.540 -6.252 1.00 0.00 C ATOM 578 O HIS A 39 -1.396 9.805 -5.049 1.00 0.00 O ATOM 579 CB HIS A 39 -2.844 10.707 -7.932 1.00 0.00 C ATOM 580 CG HIS A 39 -3.936 11.030 -6.960 1.00 0.00 C ATOM 581 ND1 HIS A 39 -4.607 12.234 -6.954 1.00 0.00 N ATOM 582 CD2 HIS A 39 -4.475 10.296 -5.958 1.00 0.00 C ATOM 583 CE1 HIS A 39 -5.509 12.229 -5.990 1.00 0.00 C ATOM 584 NE2 HIS A 39 -5.450 11.063 -5.371 1.00 0.00 N ATOM 0 H HIS A 39 -0.803 10.353 -9.267 1.00 0.00 H new ATOM 0 HA HIS A 39 -1.253 11.602 -6.801 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -2.842 11.455 -8.725 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -3.058 9.746 -8.400 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -4.191 9.294 -5.674 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.181 13.040 -5.748 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -6.034 10.779 -4.585 1.00 0.00 H new ATOM 592 N LEU A 40 -1.372 8.297 -6.719 1.00 0.00 N ATOM 593 CA LEU A 40 -1.323 7.145 -5.825 1.00 0.00 C ATOM 594 C LEU A 40 0.046 7.028 -5.162 1.00 0.00 C ATOM 595 O LEU A 40 0.159 6.567 -4.026 1.00 0.00 O ATOM 596 CB LEU A 40 -1.640 5.863 -6.597 1.00 0.00 C ATOM 597 CG LEU A 40 -2.993 5.824 -7.308 1.00 0.00 C ATOM 598 CD1 LEU A 40 -3.201 4.479 -7.987 1.00 0.00 C ATOM 599 CD2 LEU A 40 -4.120 6.109 -6.326 1.00 0.00 C ATOM 0 H LEU A 40 -1.379 8.061 -7.711 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.072 7.288 -5.046 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.857 5.707 -7.340 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.593 5.024 -5.903 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.002 6.599 -8.074 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.169 4.470 -8.488 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.412 4.316 -8.721 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.172 3.686 -7.240 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.076 6.077 -6.850 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.114 5.357 -5.537 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.979 7.097 -5.887 1.00 0.00 H new ATOM 611 N PHE A 41 1.082 7.451 -5.878 1.00 0.00 N ATOM 612 CA PHE A 41 2.444 7.395 -5.358 1.00 0.00 C ATOM 613 C PHE A 41 2.569 8.207 -4.072 1.00 0.00 C ATOM 614 O PHE A 41 3.081 7.719 -3.064 1.00 0.00 O ATOM 615 CB PHE A 41 3.433 7.917 -6.402 1.00 0.00 C ATOM 616 CG PHE A 41 4.678 7.086 -6.517 1.00 0.00 C ATOM 617 CD1 PHE A 41 5.770 7.333 -5.699 1.00 0.00 C ATOM 618 CD2 PHE A 41 4.758 6.058 -7.442 1.00 0.00 C ATOM 619 CE1 PHE A 41 6.917 6.569 -5.802 1.00 0.00 C ATOM 620 CE2 PHE A 41 5.903 5.291 -7.549 1.00 0.00 C ATOM 621 CZ PHE A 41 6.984 5.547 -6.729 1.00 0.00 C ATOM 0 H PHE A 41 1.005 7.836 -6.819 1.00 0.00 H new ATOM 0 HA PHE A 41 2.678 6.354 -5.134 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.939 7.953 -7.373 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.711 8.940 -6.148 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.724 8.131 -4.973 1.00 0.00 H new ATOM 0 HD2 PHE A 41 3.916 5.853 -8.087 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.760 6.771 -5.158 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.952 4.492 -8.274 1.00 0.00 H new ATOM 0 HZ PHE A 41 7.880 4.950 -6.812 1.00 0.00 H new ATOM 631 N ARG A 42 2.098 9.449 -4.115 1.00 0.00 N ATOM 632 CA ARG A 42 2.158 10.330 -2.955 1.00 0.00 C ATOM 633 C ARG A 42 1.224 9.840 -1.852 1.00 0.00 C ATOM 634 O ARG A 42 1.443 10.117 -0.673 1.00 0.00 O ATOM 635 CB ARG A 42 1.788 11.759 -3.353 1.00 0.00 C ATOM 636 CG ARG A 42 2.164 12.799 -2.310 1.00 0.00 C ATOM 637 CD ARG A 42 2.502 14.136 -2.953 1.00 0.00 C ATOM 638 NE ARG A 42 1.364 14.699 -3.674 1.00 0.00 N ATOM 639 CZ ARG A 42 1.434 15.804 -4.409 1.00 0.00 C ATOM 640 NH1 ARG A 42 2.581 16.459 -4.519 1.00 0.00 N ATOM 641 NH2 ARG A 42 0.355 16.254 -5.036 1.00 0.00 N ATOM 0 H ARG A 42 1.671 9.868 -4.941 1.00 0.00 H new ATOM 0 HA ARG A 42 3.179 10.319 -2.575 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.282 12.005 -4.293 1.00 0.00 H new ATOM 0 HB3 ARG A 42 0.714 11.810 -3.534 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.339 12.929 -1.610 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.018 12.445 -1.733 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.826 14.837 -2.184 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.339 14.007 -3.640 1.00 0.00 H new ATOM 0 HE ARG A 42 0.467 14.218 -3.610 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.413 16.115 -4.039 1.00 0.00 H new ATOM 0 HH12 ARG A 42 2.632 17.307 -5.084 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -0.529 15.752 -4.954 1.00 0.00 H new ATOM 0 HH22 ARG A 42 0.409 17.102 -5.600 1.00 0.00 H new ATOM 655 N GLN A 43 0.184 9.112 -2.244 1.00 0.00 N ATOM 656 CA GLN A 43 -0.783 8.585 -1.288 1.00 0.00 C ATOM 657 C GLN A 43 -0.231 7.353 -0.578 1.00 0.00 C ATOM 658 O GLN A 43 -0.420 7.183 0.626 1.00 0.00 O ATOM 659 CB GLN A 43 -2.093 8.236 -1.996 1.00 0.00 C ATOM 660 CG GLN A 43 -3.244 7.957 -1.042 1.00 0.00 C ATOM 661 CD GLN A 43 -3.380 9.015 0.035 1.00 0.00 C ATOM 662 OE1 GLN A 43 -3.505 8.700 1.218 1.00 0.00 O ATOM 663 NE2 GLN A 43 -3.356 10.279 -0.371 1.00 0.00 N ATOM 0 H GLN A 43 -0.011 8.874 -3.216 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.975 9.356 -0.542 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -2.370 9.058 -2.656 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.934 7.361 -2.626 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -4.174 7.899 -1.608 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -3.095 6.984 -0.573 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -3.250 10.494 -1.362 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -3.443 11.035 0.309 1.00 0.00 H new ATOM 672 N GLN A 44 0.450 6.497 -1.333 1.00 0.00 N ATOM 673 CA GLN A 44 1.028 5.280 -0.775 1.00 0.00 C ATOM 674 C GLN A 44 2.359 5.574 -0.090 1.00 0.00 C ATOM 675 O GLN A 44 2.662 5.017 0.966 1.00 0.00 O ATOM 676 CB GLN A 44 1.226 4.234 -1.874 1.00 0.00 C ATOM 677 CG GLN A 44 -0.067 3.812 -2.552 1.00 0.00 C ATOM 678 CD GLN A 44 -0.862 2.820 -1.726 1.00 0.00 C ATOM 679 OE1 GLN A 44 -0.614 2.648 -0.532 1.00 0.00 O ATOM 680 NE2 GLN A 44 -1.825 2.159 -2.359 1.00 0.00 N ATOM 0 H GLN A 44 0.615 6.623 -2.332 1.00 0.00 H new ATOM 0 HA GLN A 44 0.336 4.887 -0.030 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.907 4.633 -2.626 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.705 3.354 -1.445 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.679 4.694 -2.741 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.163 3.370 -3.521 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -1.997 2.332 -3.349 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -2.393 1.478 -1.855 1.00 0.00 H new ATOM 689 N LEU A 45 3.151 6.450 -0.698 1.00 0.00 N ATOM 690 CA LEU A 45 4.450 6.818 -0.147 1.00 0.00 C ATOM 691 C LEU A 45 4.320 7.990 0.821 1.00 0.00 C ATOM 692 O LEU A 45 5.218 8.252 1.619 1.00 0.00 O ATOM 693 CB LEU A 45 5.421 7.178 -1.274 1.00 0.00 C ATOM 694 CG LEU A 45 6.777 6.473 -1.242 1.00 0.00 C ATOM 695 CD1 LEU A 45 7.401 6.454 -2.629 1.00 0.00 C ATOM 696 CD2 LEU A 45 7.707 7.149 -0.245 1.00 0.00 C ATOM 0 H LEU A 45 2.916 6.919 -1.573 1.00 0.00 H new ATOM 0 HA LEU A 45 4.840 5.960 0.401 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.940 6.954 -2.226 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.593 8.254 -1.249 1.00 0.00 H new ATOM 0 HG LEU A 45 6.622 5.443 -0.922 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.366 5.948 -2.587 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.743 5.923 -3.317 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.542 7.477 -2.978 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.667 6.633 -0.236 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.856 8.189 -0.534 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.264 7.109 0.750 1.00 0.00 H new ATOM 708 N GLY A 46 3.192 8.691 0.744 1.00 0.00 N ATOM 709 CA GLY A 46 2.964 9.825 1.620 1.00 0.00 C ATOM 710 C GLY A 46 3.889 10.987 1.318 1.00 0.00 C ATOM 711 O GLY A 46 3.929 11.967 2.062 1.00 0.00 O ATOM 0 H GLY A 46 2.433 8.494 0.091 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.929 10.153 1.522 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.103 9.514 2.655 1.00 0.00 H new ATOM 715 N ILE A 47 4.635 10.878 0.224 1.00 0.00 N ATOM 716 CA ILE A 47 5.565 11.928 -0.174 1.00 0.00 C ATOM 717 C ILE A 47 5.714 11.984 -1.691 1.00 0.00 C ATOM 718 O ILE A 47 5.201 11.124 -2.407 1.00 0.00 O ATOM 719 CB ILE A 47 6.953 11.721 0.460 1.00 0.00 C ATOM 720 CG1 ILE A 47 7.634 10.490 -0.142 1.00 0.00 C ATOM 721 CG2 ILE A 47 6.830 11.580 1.970 1.00 0.00 C ATOM 722 CD1 ILE A 47 8.998 10.206 0.447 1.00 0.00 C ATOM 0 H ILE A 47 4.614 10.073 -0.403 1.00 0.00 H new ATOM 0 HA ILE A 47 5.149 12.870 0.183 1.00 0.00 H new ATOM 0 HB ILE A 47 7.568 12.595 0.245 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.994 9.621 0.008 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.734 10.630 -1.218 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.819 11.434 2.404 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.382 12.483 2.384 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.201 10.722 2.205 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.421 9.320 -0.026 1.00 0.00 H new ATOM 0 HD12 ILE A 47 9.654 11.059 0.273 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.903 10.034 1.519 1.00 0.00 H new ATOM 734 N SER A 48 6.421 13.000 -2.173 1.00 0.00 N ATOM 735 CA SER A 48 6.637 13.170 -3.605 1.00 0.00 C ATOM 736 C SER A 48 7.709 12.210 -4.111 1.00 0.00 C ATOM 737 O SER A 48 8.631 11.848 -3.379 1.00 0.00 O ATOM 738 CB SER A 48 7.042 14.613 -3.914 1.00 0.00 C ATOM 739 OG SER A 48 6.748 14.949 -5.259 1.00 0.00 O ATOM 0 H SER A 48 6.854 13.718 -1.593 1.00 0.00 H new ATOM 0 HA SER A 48 5.701 12.945 -4.117 1.00 0.00 H new ATOM 0 HB2 SER A 48 6.517 15.293 -3.243 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.108 14.742 -3.728 1.00 0.00 H new ATOM 0 HG SER A 48 7.015 15.876 -5.430 1.00 0.00 H new ATOM 745 N VAL A 49 7.581 11.799 -5.369 1.00 0.00 N ATOM 746 CA VAL A 49 8.538 10.881 -5.974 1.00 0.00 C ATOM 747 C VAL A 49 9.962 11.413 -5.853 1.00 0.00 C ATOM 748 O VAL A 49 10.885 10.675 -5.507 1.00 0.00 O ATOM 749 CB VAL A 49 8.218 10.637 -7.461 1.00 0.00 C ATOM 750 CG1 VAL A 49 9.128 9.561 -8.034 1.00 0.00 C ATOM 751 CG2 VAL A 49 6.755 10.258 -7.635 1.00 0.00 C ATOM 0 H VAL A 49 6.824 12.088 -5.988 1.00 0.00 H new ATOM 0 HA VAL A 49 8.458 9.938 -5.433 1.00 0.00 H new ATOM 0 HB VAL A 49 8.398 11.561 -8.010 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.887 9.403 -9.085 1.00 0.00 H new ATOM 0 HG12 VAL A 49 10.167 9.877 -7.944 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.983 8.631 -7.484 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.546 10.089 -8.691 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.546 9.347 -7.074 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.123 11.066 -7.265 1.00 0.00 H new ATOM 761 N LEU A 50 10.134 12.699 -6.140 1.00 0.00 N ATOM 762 CA LEU A 50 11.446 13.331 -6.063 1.00 0.00 C ATOM 763 C LEU A 50 11.994 13.276 -4.640 1.00 0.00 C ATOM 764 O LEU A 50 13.204 13.184 -4.434 1.00 0.00 O ATOM 765 CB LEU A 50 11.362 14.785 -6.533 1.00 0.00 C ATOM 766 CG LEU A 50 10.887 14.998 -7.970 1.00 0.00 C ATOM 767 CD1 LEU A 50 10.921 16.476 -8.330 1.00 0.00 C ATOM 768 CD2 LEU A 50 11.740 14.193 -8.939 1.00 0.00 C ATOM 0 H LEU A 50 9.381 13.324 -6.428 1.00 0.00 H new ATOM 0 HA LEU A 50 12.125 12.783 -6.716 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.689 15.324 -5.865 1.00 0.00 H new ATOM 0 HB3 LEU A 50 12.348 15.238 -6.426 1.00 0.00 H new ATOM 0 HG LEU A 50 9.857 14.649 -8.047 1.00 0.00 H new ATOM 0 HD11 LEU A 50 10.580 16.608 -9.357 1.00 0.00 H new ATOM 0 HD12 LEU A 50 10.267 17.030 -7.656 1.00 0.00 H new ATOM 0 HD13 LEU A 50 11.940 16.850 -8.236 1.00 0.00 H new ATOM 0 HD21 LEU A 50 11.387 14.357 -9.957 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.779 14.511 -8.860 1.00 0.00 H new ATOM 0 HD23 LEU A 50 11.665 13.133 -8.696 1.00 0.00 H new ATOM 780 N SER A 51 11.095 13.331 -3.663 1.00 0.00 N ATOM 781 CA SER A 51 11.488 13.288 -2.259 1.00 0.00 C ATOM 782 C SER A 51 11.942 11.886 -1.864 1.00 0.00 C ATOM 783 O SER A 51 12.970 11.717 -1.208 1.00 0.00 O ATOM 784 CB SER A 51 10.326 13.730 -1.368 1.00 0.00 C ATOM 785 OG SER A 51 10.691 13.697 0.001 1.00 0.00 O ATOM 0 H SER A 51 10.090 13.405 -3.817 1.00 0.00 H new ATOM 0 HA SER A 51 12.324 13.974 -2.121 1.00 0.00 H new ATOM 0 HB2 SER A 51 10.018 14.739 -1.641 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.468 13.079 -1.535 1.00 0.00 H new ATOM 0 HG SER A 51 9.931 13.985 0.549 1.00 0.00 H new ATOM 791 N TRP A 52 11.169 10.885 -2.268 1.00 0.00 N ATOM 792 CA TRP A 52 11.490 9.497 -1.957 1.00 0.00 C ATOM 793 C TRP A 52 12.856 9.116 -2.518 1.00 0.00 C ATOM 794 O TRP A 52 13.631 8.417 -1.866 1.00 0.00 O ATOM 795 CB TRP A 52 10.416 8.565 -2.519 1.00 0.00 C ATOM 796 CG TRP A 52 10.733 7.112 -2.332 1.00 0.00 C ATOM 797 CD1 TRP A 52 10.719 6.415 -1.157 1.00 0.00 C ATOM 798 CD2 TRP A 52 11.113 6.180 -3.350 1.00 0.00 C ATOM 799 NE1 TRP A 52 11.067 5.105 -1.384 1.00 0.00 N ATOM 800 CE2 TRP A 52 11.313 4.935 -2.721 1.00 0.00 C ATOM 801 CE3 TRP A 52 11.302 6.274 -4.731 1.00 0.00 C ATOM 802 CZ2 TRP A 52 11.693 3.797 -3.427 1.00 0.00 C ATOM 803 CZ3 TRP A 52 11.680 5.144 -5.430 1.00 0.00 C ATOM 804 CH2 TRP A 52 11.871 3.919 -4.778 1.00 0.00 C ATOM 0 H TRP A 52 10.315 11.008 -2.812 1.00 0.00 H new ATOM 0 HA TRP A 52 11.521 9.391 -0.873 1.00 0.00 H new ATOM 0 HB2 TRP A 52 9.464 8.787 -2.037 1.00 0.00 H new ATOM 0 HB3 TRP A 52 10.289 8.768 -3.582 1.00 0.00 H new ATOM 0 HD1 TRP A 52 10.471 6.832 -0.192 1.00 0.00 H new ATOM 0 HE1 TRP A 52 11.132 4.377 -0.672 1.00 0.00 H new ATOM 0 HE3 TRP A 52 11.155 7.213 -5.243 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 11.842 2.852 -2.926 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 11.831 5.206 -6.498 1.00 0.00 H new ATOM 0 HH2 TRP A 52 12.165 3.053 -5.353 1.00 0.00 H new ATOM 815 N ARG A 53 13.144 9.580 -3.729 1.00 0.00 N ATOM 816 CA ARG A 53 14.416 9.286 -4.377 1.00 0.00 C ATOM 817 C ARG A 53 15.583 9.824 -3.554 1.00 0.00 C ATOM 818 O ARG A 53 16.572 9.127 -3.333 1.00 0.00 O ATOM 819 CB ARG A 53 14.448 9.889 -5.783 1.00 0.00 C ATOM 820 CG ARG A 53 15.740 9.613 -6.535 1.00 0.00 C ATOM 821 CD ARG A 53 15.606 9.945 -8.013 1.00 0.00 C ATOM 822 NE ARG A 53 16.785 10.636 -8.527 1.00 0.00 N ATOM 823 CZ ARG A 53 17.899 10.014 -8.897 1.00 0.00 C ATOM 824 NH1 ARG A 53 17.985 8.694 -8.811 1.00 0.00 N ATOM 825 NH2 ARG A 53 18.930 10.713 -9.356 1.00 0.00 N ATOM 0 H ARG A 53 12.514 10.161 -4.281 1.00 0.00 H new ATOM 0 HA ARG A 53 14.515 8.203 -4.451 1.00 0.00 H new ATOM 0 HB2 ARG A 53 13.611 9.493 -6.358 1.00 0.00 H new ATOM 0 HB3 ARG A 53 14.303 10.967 -5.710 1.00 0.00 H new ATOM 0 HG2 ARG A 53 16.548 10.202 -6.101 1.00 0.00 H new ATOM 0 HG3 ARG A 53 16.012 8.564 -6.420 1.00 0.00 H new ATOM 0 HD2 ARG A 53 15.449 9.026 -8.578 1.00 0.00 H new ATOM 0 HD3 ARG A 53 14.725 10.568 -8.166 1.00 0.00 H new ATOM 0 HE ARG A 53 16.751 11.652 -8.606 1.00 0.00 H new ATOM 0 HH11 ARG A 53 17.195 8.153 -8.460 1.00 0.00 H new ATOM 0 HH12 ARG A 53 18.842 8.219 -9.096 1.00 0.00 H new ATOM 0 HH21 ARG A 53 18.867 11.729 -9.425 1.00 0.00 H new ATOM 0 HH22 ARG A 53 19.785 10.234 -9.640 1.00 0.00 H new ATOM 839 N GLU A 54 15.458 11.069 -3.104 1.00 0.00 N ATOM 840 CA GLU A 54 16.503 11.701 -2.307 1.00 0.00 C ATOM 841 C GLU A 54 16.658 11.000 -0.960 1.00 0.00 C ATOM 842 O GLU A 54 17.771 10.700 -0.529 1.00 0.00 O ATOM 843 CB GLU A 54 16.185 13.182 -2.091 1.00 0.00 C ATOM 844 CG GLU A 54 17.181 13.893 -1.189 1.00 0.00 C ATOM 845 CD GLU A 54 16.796 15.334 -0.918 1.00 0.00 C ATOM 846 OE1 GLU A 54 17.033 16.188 -1.798 1.00 0.00 O ATOM 847 OE2 GLU A 54 16.258 15.608 0.175 1.00 0.00 O ATOM 0 H GLU A 54 14.644 11.659 -3.278 1.00 0.00 H new ATOM 0 HA GLU A 54 17.443 11.615 -2.852 1.00 0.00 H new ATOM 0 HB2 GLU A 54 16.160 13.684 -3.058 1.00 0.00 H new ATOM 0 HB3 GLU A 54 15.188 13.272 -1.659 1.00 0.00 H new ATOM 0 HG2 GLU A 54 17.256 13.357 -0.243 1.00 0.00 H new ATOM 0 HG3 GLU A 54 18.168 13.865 -1.651 1.00 0.00 H new ATOM 854 N ASP A 55 15.533 10.745 -0.301 1.00 0.00 N ATOM 855 CA ASP A 55 15.543 10.079 0.997 1.00 0.00 C ATOM 856 C ASP A 55 16.113 8.669 0.881 1.00 0.00 C ATOM 857 O ASP A 55 16.826 8.204 1.769 1.00 0.00 O ATOM 858 CB ASP A 55 14.128 10.025 1.576 1.00 0.00 C ATOM 859 CG ASP A 55 14.109 10.237 3.077 1.00 0.00 C ATOM 860 OD1 ASP A 55 14.232 11.401 3.514 1.00 0.00 O ATOM 861 OD2 ASP A 55 13.970 9.239 3.815 1.00 0.00 O ATOM 0 H ASP A 55 14.604 10.989 -0.643 1.00 0.00 H new ATOM 0 HA ASP A 55 16.181 10.654 1.668 1.00 0.00 H new ATOM 0 HB2 ASP A 55 13.513 10.786 1.096 1.00 0.00 H new ATOM 0 HB3 ASP A 55 13.679 9.059 1.343 1.00 0.00 H new ATOM 866 N GLN A 56 15.792 7.996 -0.219 1.00 0.00 N ATOM 867 CA GLN A 56 16.271 6.638 -0.449 1.00 0.00 C ATOM 868 C GLN A 56 17.781 6.623 -0.666 1.00 0.00 C ATOM 869 O GLN A 56 18.466 5.682 -0.266 1.00 0.00 O ATOM 870 CB GLN A 56 15.564 6.023 -1.659 1.00 0.00 C ATOM 871 CG GLN A 56 14.323 5.224 -1.296 1.00 0.00 C ATOM 872 CD GLN A 56 14.610 4.125 -0.292 1.00 0.00 C ATOM 873 OE1 GLN A 56 14.145 4.172 0.847 1.00 0.00 O ATOM 874 NE2 GLN A 56 15.378 3.126 -0.711 1.00 0.00 N ATOM 0 H GLN A 56 15.203 8.368 -0.964 1.00 0.00 H new ATOM 0 HA GLN A 56 16.043 6.045 0.436 1.00 0.00 H new ATOM 0 HB2 GLN A 56 15.285 6.819 -2.350 1.00 0.00 H new ATOM 0 HB3 GLN A 56 16.263 5.374 -2.187 1.00 0.00 H new ATOM 0 HG2 GLN A 56 13.569 5.897 -0.887 1.00 0.00 H new ATOM 0 HG3 GLN A 56 13.901 4.784 -2.200 1.00 0.00 H new ATOM 0 HE21 GLN A 56 15.742 3.128 -1.664 1.00 0.00 H new ATOM 0 HE22 GLN A 56 15.604 2.357 -0.080 1.00 0.00 H new ATOM 883 N ARG A 57 18.293 7.671 -1.303 1.00 0.00 N ATOM 884 CA ARG A 57 19.721 7.778 -1.575 1.00 0.00 C ATOM 885 C ARG A 57 20.527 7.705 -0.281 1.00 0.00 C ATOM 886 O ARG A 57 21.519 6.980 -0.197 1.00 0.00 O ATOM 887 CB ARG A 57 20.027 9.086 -2.306 1.00 0.00 C ATOM 888 CG ARG A 57 19.676 9.054 -3.784 1.00 0.00 C ATOM 889 CD ARG A 57 19.404 10.450 -4.323 1.00 0.00 C ATOM 890 NE ARG A 57 20.505 10.943 -5.146 1.00 0.00 N ATOM 891 CZ ARG A 57 20.822 10.433 -6.331 1.00 0.00 C ATOM 892 NH1 ARG A 57 20.125 9.421 -6.829 1.00 0.00 N ATOM 893 NH2 ARG A 57 21.838 10.936 -7.021 1.00 0.00 N ATOM 0 H ARG A 57 17.740 8.458 -1.641 1.00 0.00 H new ATOM 0 HA ARG A 57 20.008 6.940 -2.210 1.00 0.00 H new ATOM 0 HB2 ARG A 57 19.477 9.897 -1.828 1.00 0.00 H new ATOM 0 HB3 ARG A 57 21.088 9.313 -2.198 1.00 0.00 H new ATOM 0 HG2 ARG A 57 20.494 8.600 -4.343 1.00 0.00 H new ATOM 0 HG3 ARG A 57 18.798 8.426 -3.937 1.00 0.00 H new ATOM 0 HD2 ARG A 57 18.487 10.439 -4.913 1.00 0.00 H new ATOM 0 HD3 ARG A 57 19.239 11.134 -3.491 1.00 0.00 H new ATOM 0 HE ARG A 57 21.061 11.721 -4.792 1.00 0.00 H new ATOM 0 HH11 ARG A 57 19.343 9.032 -6.302 1.00 0.00 H new ATOM 0 HH12 ARG A 57 20.371 9.031 -7.739 1.00 0.00 H new ATOM 0 HH21 ARG A 57 22.376 11.715 -6.642 1.00 0.00 H new ATOM 0 HH22 ARG A 57 22.081 10.544 -7.931 1.00 0.00 H new ATOM 907 N ILE A 58 20.095 8.461 0.723 1.00 0.00 N ATOM 908 CA ILE A 58 20.776 8.481 2.011 1.00 0.00 C ATOM 909 C ILE A 58 20.567 7.172 2.765 1.00 0.00 C ATOM 910 O ILE A 58 21.508 6.607 3.321 1.00 0.00 O ATOM 911 CB ILE A 58 20.287 9.649 2.888 1.00 0.00 C ATOM 912 CG1 ILE A 58 20.897 10.967 2.406 1.00 0.00 C ATOM 913 CG2 ILE A 58 20.638 9.399 4.347 1.00 0.00 C ATOM 914 CD1 ILE A 58 20.359 11.429 1.070 1.00 0.00 C ATOM 0 H ILE A 58 19.277 9.067 0.669 1.00 0.00 H new ATOM 0 HA ILE A 58 21.838 8.612 1.804 1.00 0.00 H new ATOM 0 HB ILE A 58 19.203 9.719 2.802 1.00 0.00 H new ATOM 0 HG12 ILE A 58 20.708 11.739 3.151 1.00 0.00 H new ATOM 0 HG13 ILE A 58 21.978 10.852 2.333 1.00 0.00 H new ATOM 0 HG21 ILE A 58 20.286 10.233 4.954 1.00 0.00 H new ATOM 0 HG22 ILE A 58 20.161 8.479 4.683 1.00 0.00 H new ATOM 0 HG23 ILE A 58 21.719 9.306 4.450 1.00 0.00 H new ATOM 0 HD11 ILE A 58 20.836 12.369 0.791 1.00 0.00 H new ATOM 0 HD12 ILE A 58 20.572 10.675 0.312 1.00 0.00 H new ATOM 0 HD13 ILE A 58 19.281 11.576 1.143 1.00 0.00 H new ATOM 926 N SER A 59 19.327 6.695 2.777 1.00 0.00 N ATOM 927 CA SER A 59 18.992 5.452 3.463 1.00 0.00 C ATOM 928 C SER A 59 19.846 4.299 2.945 1.00 0.00 C ATOM 929 O SER A 59 20.269 3.434 3.711 1.00 0.00 O ATOM 930 CB SER A 59 17.509 5.127 3.280 1.00 0.00 C ATOM 931 OG SER A 59 17.240 3.773 3.601 1.00 0.00 O ATOM 0 H SER A 59 18.537 7.150 2.320 1.00 0.00 H new ATOM 0 HA SER A 59 19.198 5.585 4.525 1.00 0.00 H new ATOM 0 HB2 SER A 59 16.909 5.780 3.914 1.00 0.00 H new ATOM 0 HB3 SER A 59 17.215 5.325 2.249 1.00 0.00 H new ATOM 0 HG SER A 59 16.285 3.591 3.477 1.00 0.00 H new ATOM 937 N GLN A 60 20.092 4.294 1.639 1.00 0.00 N ATOM 938 CA GLN A 60 20.894 3.246 1.018 1.00 0.00 C ATOM 939 C GLN A 60 22.366 3.393 1.391 1.00 0.00 C ATOM 940 O GLN A 60 23.039 2.410 1.698 1.00 0.00 O ATOM 941 CB GLN A 60 20.735 3.288 -0.503 1.00 0.00 C ATOM 942 CG GLN A 60 21.323 2.076 -1.209 1.00 0.00 C ATOM 943 CD GLN A 60 20.925 0.769 -0.554 1.00 0.00 C ATOM 944 OE1 GLN A 60 19.863 0.215 -0.840 1.00 0.00 O ATOM 945 NE2 GLN A 60 21.778 0.266 0.331 1.00 0.00 N ATOM 0 H GLN A 60 19.748 5.003 0.991 1.00 0.00 H new ATOM 0 HA GLN A 60 20.539 2.284 1.388 1.00 0.00 H new ATOM 0 HB2 GLN A 60 19.675 3.362 -0.748 1.00 0.00 H new ATOM 0 HB3 GLN A 60 21.214 4.189 -0.886 1.00 0.00 H new ATOM 0 HG2 GLN A 60 20.995 2.072 -2.249 1.00 0.00 H new ATOM 0 HG3 GLN A 60 22.410 2.157 -1.218 1.00 0.00 H new ATOM 0 HE21 GLN A 60 22.647 0.758 0.538 1.00 0.00 H new ATOM 0 HE22 GLN A 60 21.564 -0.612 0.803 1.00 0.00 H new ATOM 954 N ALA A 61 22.858 4.627 1.362 1.00 0.00 N ATOM 955 CA ALA A 61 24.249 4.903 1.699 1.00 0.00 C ATOM 956 C ALA A 61 24.555 4.502 3.138 1.00 0.00 C ATOM 957 O ALA A 61 25.654 4.038 3.444 1.00 0.00 O ATOM 958 CB ALA A 61 24.563 6.375 1.480 1.00 0.00 C ATOM 0 H ALA A 61 22.314 5.452 1.109 1.00 0.00 H new ATOM 0 HA ALA A 61 24.882 4.307 1.042 1.00 0.00 H new ATOM 0 HB1 ALA A 61 25.605 6.567 1.736 1.00 0.00 H new ATOM 0 HB2 ALA A 61 24.393 6.632 0.434 1.00 0.00 H new ATOM 0 HB3 ALA A 61 23.916 6.983 2.113 1.00 0.00 H new ATOM 964 N LYS A 62 23.577 4.685 4.019 1.00 0.00 N ATOM 965 CA LYS A 62 23.741 4.342 5.426 1.00 0.00 C ATOM 966 C LYS A 62 23.894 2.835 5.605 1.00 0.00 C ATOM 967 O LYS A 62 24.602 2.375 6.502 1.00 0.00 O ATOM 968 CB LYS A 62 22.544 4.844 6.237 1.00 0.00 C ATOM 969 CG LYS A 62 22.469 6.358 6.337 1.00 0.00 C ATOM 970 CD LYS A 62 21.080 6.821 6.744 1.00 0.00 C ATOM 971 CE LYS A 62 20.898 6.779 8.253 1.00 0.00 C ATOM 972 NZ LYS A 62 20.546 5.413 8.731 1.00 0.00 N ATOM 0 H LYS A 62 22.662 5.069 3.783 1.00 0.00 H new ATOM 0 HA LYS A 62 24.647 4.827 5.789 1.00 0.00 H new ATOM 0 HB2 LYS A 62 21.626 4.472 5.782 1.00 0.00 H new ATOM 0 HB3 LYS A 62 22.595 4.424 7.242 1.00 0.00 H new ATOM 0 HG2 LYS A 62 23.199 6.712 7.064 1.00 0.00 H new ATOM 0 HG3 LYS A 62 22.735 6.801 5.377 1.00 0.00 H new ATOM 0 HD2 LYS A 62 20.914 7.837 6.385 1.00 0.00 H new ATOM 0 HD3 LYS A 62 20.331 6.188 6.268 1.00 0.00 H new ATOM 0 HE2 LYS A 62 21.816 7.108 8.739 1.00 0.00 H new ATOM 0 HE3 LYS A 62 20.115 7.479 8.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 19.931 5.485 9.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 20.047 4.899 7.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 21.414 4.899 8.984 1.00 0.00 H new ATOM 986 N LEU A 63 23.227 2.072 4.747 1.00 0.00 N ATOM 987 CA LEU A 63 23.290 0.615 4.809 1.00 0.00 C ATOM 988 C LEU A 63 24.702 0.119 4.518 1.00 0.00 C ATOM 989 O LEU A 63 25.273 -0.652 5.291 1.00 0.00 O ATOM 990 CB LEU A 63 22.305 0.000 3.813 1.00 0.00 C ATOM 991 CG LEU A 63 22.132 -1.518 3.892 1.00 0.00 C ATOM 992 CD1 LEU A 63 20.713 -1.913 3.513 1.00 0.00 C ATOM 993 CD2 LEU A 63 23.141 -2.217 2.992 1.00 0.00 C ATOM 0 H LEU A 63 22.636 2.437 4.000 1.00 0.00 H new ATOM 0 HA LEU A 63 23.017 0.306 5.818 1.00 0.00 H new ATOM 0 HB2 LEU A 63 21.331 0.465 3.962 1.00 0.00 H new ATOM 0 HB3 LEU A 63 22.630 0.257 2.805 1.00 0.00 H new ATOM 0 HG LEU A 63 22.313 -1.833 4.920 1.00 0.00 H new ATOM 0 HD11 LEU A 63 20.608 -2.996 3.575 1.00 0.00 H new ATOM 0 HD12 LEU A 63 20.009 -1.441 4.198 1.00 0.00 H new ATOM 0 HD13 LEU A 63 20.504 -1.586 2.495 1.00 0.00 H new ATOM 0 HD21 LEU A 63 23.004 -3.296 3.061 1.00 0.00 H new ATOM 0 HD22 LEU A 63 22.992 -1.897 1.961 1.00 0.00 H new ATOM 0 HD23 LEU A 63 24.151 -1.959 3.309 1.00 0.00 H new ATOM 1005 N LEU A 64 25.263 0.566 3.400 1.00 0.00 N ATOM 1006 CA LEU A 64 26.610 0.169 3.007 1.00 0.00 C ATOM 1007 C LEU A 64 27.655 0.831 3.901 1.00 0.00 C ATOM 1008 O LEU A 64 28.668 0.221 4.246 1.00 0.00 O ATOM 1009 CB LEU A 64 26.866 0.537 1.545 1.00 0.00 C ATOM 1010 CG LEU A 64 27.167 2.011 1.266 1.00 0.00 C ATOM 1011 CD1 LEU A 64 28.661 2.278 1.363 1.00 0.00 C ATOM 1012 CD2 LEU A 64 26.639 2.413 -0.103 1.00 0.00 C ATOM 0 H LEU A 64 24.805 1.204 2.749 1.00 0.00 H new ATOM 0 HA LEU A 64 26.692 -0.912 3.122 1.00 0.00 H new ATOM 0 HB2 LEU A 64 27.704 -0.059 1.183 1.00 0.00 H new ATOM 0 HB3 LEU A 64 25.993 0.248 0.960 1.00 0.00 H new ATOM 0 HG LEU A 64 26.661 2.615 2.020 1.00 0.00 H new ATOM 0 HD11 LEU A 64 28.856 3.331 1.162 1.00 0.00 H new ATOM 0 HD12 LEU A 64 29.011 2.029 2.365 1.00 0.00 H new ATOM 0 HD13 LEU A 64 29.188 1.665 0.632 1.00 0.00 H new ATOM 0 HD21 LEU A 64 26.862 3.464 -0.285 1.00 0.00 H new ATOM 0 HD22 LEU A 64 27.116 1.803 -0.870 1.00 0.00 H new ATOM 0 HD23 LEU A 64 25.560 2.260 -0.136 1.00 0.00 H new ATOM 1024 N LEU A 65 27.401 2.081 4.273 1.00 0.00 N ATOM 1025 CA LEU A 65 28.319 2.825 5.128 1.00 0.00 C ATOM 1026 C LEU A 65 28.411 2.189 6.511 1.00 0.00 C ATOM 1027 O LEU A 65 29.439 2.285 7.182 1.00 0.00 O ATOM 1028 CB LEU A 65 27.864 4.280 5.253 1.00 0.00 C ATOM 1029 CG LEU A 65 28.831 5.228 5.964 1.00 0.00 C ATOM 1030 CD1 LEU A 65 29.351 6.282 4.999 1.00 0.00 C ATOM 1031 CD2 LEU A 65 28.154 5.883 7.158 1.00 0.00 C ATOM 0 H LEU A 65 26.568 2.600 3.996 1.00 0.00 H new ATOM 0 HA LEU A 65 29.307 2.798 4.669 1.00 0.00 H new ATOM 0 HB2 LEU A 65 27.677 4.668 4.252 1.00 0.00 H new ATOM 0 HB3 LEU A 65 26.913 4.298 5.785 1.00 0.00 H new ATOM 0 HG LEU A 65 29.679 4.647 6.326 1.00 0.00 H new ATOM 0 HD11 LEU A 65 30.037 6.947 5.522 1.00 0.00 H new ATOM 0 HD12 LEU A 65 29.874 5.795 4.176 1.00 0.00 H new ATOM 0 HD13 LEU A 65 28.514 6.860 4.606 1.00 0.00 H new ATOM 0 HD21 LEU A 65 28.857 6.554 7.652 1.00 0.00 H new ATOM 0 HD22 LEU A 65 27.288 6.451 6.819 1.00 0.00 H new ATOM 0 HD23 LEU A 65 27.832 5.114 7.860 1.00 0.00 H new ATOM 1043 N SER A 66 27.331 1.538 6.931 1.00 0.00 N ATOM 1044 CA SER A 66 27.290 0.887 8.235 1.00 0.00 C ATOM 1045 C SER A 66 28.081 -0.417 8.217 1.00 0.00 C ATOM 1046 O SER A 66 28.510 -0.912 9.260 1.00 0.00 O ATOM 1047 CB SER A 66 25.842 0.613 8.646 1.00 0.00 C ATOM 1048 OG SER A 66 25.778 -0.371 9.664 1.00 0.00 O ATOM 0 H SER A 66 26.473 1.447 6.387 1.00 0.00 H new ATOM 0 HA SER A 66 27.746 1.558 8.963 1.00 0.00 H new ATOM 0 HB2 SER A 66 25.380 1.535 8.998 1.00 0.00 H new ATOM 0 HB3 SER A 66 25.271 0.281 7.779 1.00 0.00 H new ATOM 0 HG SER A 66 24.842 -0.527 9.910 1.00 0.00 H new ATOM 1054 N THR A 67 28.271 -0.970 7.023 1.00 0.00 N ATOM 1055 CA THR A 67 29.009 -2.217 6.867 1.00 0.00 C ATOM 1056 C THR A 67 30.364 -1.976 6.211 1.00 0.00 C ATOM 1057 O THR A 67 31.135 -2.910 5.992 1.00 0.00 O ATOM 1058 CB THR A 67 28.219 -3.236 6.025 1.00 0.00 C ATOM 1059 OG1 THR A 67 29.005 -4.415 5.817 1.00 0.00 O ATOM 1060 CG2 THR A 67 27.825 -2.639 4.682 1.00 0.00 C ATOM 0 H THR A 67 27.924 -0.574 6.150 1.00 0.00 H new ATOM 0 HA THR A 67 29.159 -2.622 7.868 1.00 0.00 H new ATOM 0 HB THR A 67 27.311 -3.497 6.569 1.00 0.00 H new ATOM 0 HG1 THR A 67 29.923 -4.254 6.119 1.00 0.00 H new ATOM 0 HG21 THR A 67 27.268 -3.377 4.105 1.00 0.00 H new ATOM 0 HG22 THR A 67 27.202 -1.759 4.844 1.00 0.00 H new ATOM 0 HG23 THR A 67 28.722 -2.352 4.134 1.00 0.00 H new ATOM 1068 N THR A 68 30.650 -0.715 5.901 1.00 0.00 N ATOM 1069 CA THR A 68 31.912 -0.350 5.270 1.00 0.00 C ATOM 1070 C THR A 68 32.562 0.830 5.982 1.00 0.00 C ATOM 1071 O THR A 68 31.874 1.716 6.490 1.00 0.00 O ATOM 1072 CB THR A 68 31.715 0.006 3.784 1.00 0.00 C ATOM 1073 OG1 THR A 68 30.988 1.234 3.667 1.00 0.00 O ATOM 1074 CG2 THR A 68 30.970 -1.103 3.056 1.00 0.00 C ATOM 0 H THR A 68 30.024 0.071 6.077 1.00 0.00 H new ATOM 0 HA THR A 68 32.565 -1.219 5.344 1.00 0.00 H new ATOM 0 HB THR A 68 32.698 0.122 3.327 1.00 0.00 H new ATOM 0 HG1 THR A 68 30.063 1.096 3.961 1.00 0.00 H new ATOM 0 HG21 THR A 68 30.843 -0.829 2.009 1.00 0.00 H new ATOM 0 HG22 THR A 68 31.541 -2.029 3.122 1.00 0.00 H new ATOM 0 HG23 THR A 68 29.992 -1.246 3.515 1.00 0.00 H new ATOM 1082 N ARG A 69 33.891 0.837 6.015 1.00 0.00 N ATOM 1083 CA ARG A 69 34.633 1.910 6.666 1.00 0.00 C ATOM 1084 C ARG A 69 35.246 2.851 5.633 1.00 0.00 C ATOM 1085 O ARG A 69 36.168 3.607 5.939 1.00 0.00 O ATOM 1086 CB ARG A 69 35.731 1.329 7.559 1.00 0.00 C ATOM 1087 CG ARG A 69 35.259 0.989 8.963 1.00 0.00 C ATOM 1088 CD ARG A 69 34.728 -0.434 9.042 1.00 0.00 C ATOM 1089 NE ARG A 69 34.888 -1.005 10.377 1.00 0.00 N ATOM 1090 CZ ARG A 69 34.401 -2.188 10.733 1.00 0.00 C ATOM 1091 NH1 ARG A 69 33.727 -2.922 9.859 1.00 0.00 N ATOM 1092 NH2 ARG A 69 34.588 -2.639 11.967 1.00 0.00 N ATOM 0 H ARG A 69 34.475 0.112 5.599 1.00 0.00 H new ATOM 0 HA ARG A 69 33.937 2.479 7.282 1.00 0.00 H new ATOM 0 HB2 ARG A 69 36.130 0.429 7.091 1.00 0.00 H new ATOM 0 HB3 ARG A 69 36.551 2.044 7.624 1.00 0.00 H new ATOM 0 HG2 ARG A 69 36.084 1.110 9.665 1.00 0.00 H new ATOM 0 HG3 ARG A 69 34.478 1.687 9.265 1.00 0.00 H new ATOM 0 HD2 ARG A 69 33.673 -0.443 8.768 1.00 0.00 H new ATOM 0 HD3 ARG A 69 35.251 -1.057 8.316 1.00 0.00 H new ATOM 0 HE ARG A 69 35.402 -0.466 11.074 1.00 0.00 H new ATOM 0 HH11 ARG A 69 33.581 -2.579 8.910 1.00 0.00 H new ATOM 0 HH12 ARG A 69 33.354 -3.830 10.136 1.00 0.00 H new ATOM 0 HH21 ARG A 69 35.106 -2.077 12.642 1.00 0.00 H new ATOM 0 HH22 ARG A 69 34.214 -3.548 12.240 1.00 0.00 H new ATOM 1106 N MET A 70 34.729 2.798 4.411 1.00 0.00 N ATOM 1107 CA MET A 70 35.225 3.646 3.333 1.00 0.00 C ATOM 1108 C MET A 70 34.988 5.120 3.648 1.00 0.00 C ATOM 1109 O MET A 70 34.132 5.476 4.459 1.00 0.00 O ATOM 1110 CB MET A 70 34.546 3.279 2.012 1.00 0.00 C ATOM 1111 CG MET A 70 35.172 2.079 1.321 1.00 0.00 C ATOM 1112 SD MET A 70 34.244 1.555 -0.134 1.00 0.00 S ATOM 1113 CE MET A 70 32.745 0.935 0.625 1.00 0.00 C ATOM 0 H MET A 70 33.966 2.177 4.142 1.00 0.00 H new ATOM 0 HA MET A 70 36.298 3.481 3.239 1.00 0.00 H new ATOM 0 HB2 MET A 70 33.493 3.071 2.200 1.00 0.00 H new ATOM 0 HB3 MET A 70 34.587 4.137 1.341 1.00 0.00 H new ATOM 0 HG2 MET A 70 36.193 2.325 1.027 1.00 0.00 H new ATOM 0 HG3 MET A 70 35.234 1.250 2.026 1.00 0.00 H new ATOM 0 HE1 MET A 70 32.000 0.740 -0.147 1.00 0.00 H new ATOM 0 HE2 MET A 70 32.964 0.011 1.161 1.00 0.00 H new ATOM 0 HE3 MET A 70 32.357 1.676 1.324 1.00 0.00 H new ATOM 1123 N PRO A 71 35.762 5.998 2.994 1.00 0.00 N ATOM 1124 CA PRO A 71 35.653 7.447 3.188 1.00 0.00 C ATOM 1125 C PRO A 71 34.358 8.013 2.616 1.00 0.00 C ATOM 1126 O PRO A 71 33.794 7.463 1.670 1.00 0.00 O ATOM 1127 CB PRO A 71 36.861 7.998 2.425 1.00 0.00 C ATOM 1128 CG PRO A 71 37.160 6.966 1.393 1.00 0.00 C ATOM 1129 CD PRO A 71 36.802 5.644 2.013 1.00 0.00 C ATOM 0 HA PRO A 71 35.638 7.717 4.244 1.00 0.00 H new ATOM 0 HB2 PRO A 71 36.635 8.961 1.968 1.00 0.00 H new ATOM 0 HB3 PRO A 71 37.712 8.152 3.089 1.00 0.00 H new ATOM 0 HG2 PRO A 71 36.581 7.141 0.487 1.00 0.00 H new ATOM 0 HG3 PRO A 71 38.212 6.992 1.109 1.00 0.00 H new ATOM 0 HD2 PRO A 71 36.430 4.939 1.270 1.00 0.00 H new ATOM 0 HD3 PRO A 71 37.664 5.178 2.491 1.00 0.00 H new ATOM 1137 N ILE A 72 33.894 9.115 3.195 1.00 0.00 N ATOM 1138 CA ILE A 72 32.666 9.756 2.741 1.00 0.00 C ATOM 1139 C ILE A 72 32.698 10.002 1.236 1.00 0.00 C ATOM 1140 O ILE A 72 31.662 9.986 0.572 1.00 0.00 O ATOM 1141 CB ILE A 72 32.429 11.095 3.464 1.00 0.00 C ATOM 1142 CG1 ILE A 72 32.389 10.882 4.978 1.00 0.00 C ATOM 1143 CG2 ILE A 72 31.138 11.738 2.980 1.00 0.00 C ATOM 1144 CD1 ILE A 72 32.234 12.165 5.765 1.00 0.00 C ATOM 0 H ILE A 72 34.349 9.582 3.979 1.00 0.00 H new ATOM 0 HA ILE A 72 31.849 9.075 2.978 1.00 0.00 H new ATOM 0 HB ILE A 72 33.255 11.767 3.232 1.00 0.00 H new ATOM 0 HG12 ILE A 72 31.563 10.214 5.221 1.00 0.00 H new ATOM 0 HG13 ILE A 72 33.306 10.382 5.291 1.00 0.00 H new ATOM 0 HG21 ILE A 72 30.985 12.683 3.501 1.00 0.00 H new ATOM 0 HG22 ILE A 72 31.202 11.921 1.907 1.00 0.00 H new ATOM 0 HG23 ILE A 72 30.300 11.071 3.185 1.00 0.00 H new ATOM 0 HD11 ILE A 72 32.213 11.938 6.831 1.00 0.00 H new ATOM 0 HD12 ILE A 72 33.073 12.827 5.551 1.00 0.00 H new ATOM 0 HD13 ILE A 72 31.303 12.656 5.481 1.00 0.00 H new ATOM 1156 N ALA A 73 33.894 10.229 0.705 1.00 0.00 N ATOM 1157 CA ALA A 73 34.063 10.475 -0.722 1.00 0.00 C ATOM 1158 C ALA A 73 33.669 9.249 -1.540 1.00 0.00 C ATOM 1159 O ALA A 73 32.941 9.356 -2.528 1.00 0.00 O ATOM 1160 CB ALA A 73 35.500 10.873 -1.023 1.00 0.00 C ATOM 0 H ALA A 73 34.761 10.248 1.242 1.00 0.00 H new ATOM 0 HA ALA A 73 33.404 11.296 -1.005 1.00 0.00 H new ATOM 0 HB1 ALA A 73 35.611 11.053 -2.092 1.00 0.00 H new ATOM 0 HB2 ALA A 73 35.749 11.781 -0.474 1.00 0.00 H new ATOM 0 HB3 ALA A 73 36.171 10.070 -0.719 1.00 0.00 H new ATOM 1166 N THR A 74 34.155 8.084 -1.124 1.00 0.00 N ATOM 1167 CA THR A 74 33.855 6.839 -1.819 1.00 0.00 C ATOM 1168 C THR A 74 32.381 6.475 -1.685 1.00 0.00 C ATOM 1169 O THR A 74 31.710 6.185 -2.675 1.00 0.00 O ATOM 1170 CB THR A 74 34.711 5.676 -1.282 1.00 0.00 C ATOM 1171 OG1 THR A 74 36.102 5.979 -1.435 1.00 0.00 O ATOM 1172 CG2 THR A 74 34.385 4.382 -2.012 1.00 0.00 C ATOM 0 H THR A 74 34.758 7.977 -0.309 1.00 0.00 H new ATOM 0 HA THR A 74 34.092 6.999 -2.871 1.00 0.00 H new ATOM 0 HB THR A 74 34.483 5.545 -0.224 1.00 0.00 H new ATOM 0 HG1 THR A 74 36.639 5.235 -1.090 1.00 0.00 H new ATOM 0 HG21 THR A 74 35.002 3.575 -1.616 1.00 0.00 H new ATOM 0 HG22 THR A 74 33.332 4.138 -1.868 1.00 0.00 H new ATOM 0 HG23 THR A 74 34.587 4.504 -3.076 1.00 0.00 H new ATOM 1180 N VAL A 75 31.882 6.492 -0.453 1.00 0.00 N ATOM 1181 CA VAL A 75 30.486 6.165 -0.189 1.00 0.00 C ATOM 1182 C VAL A 75 29.550 7.125 -0.915 1.00 0.00 C ATOM 1183 O VAL A 75 28.528 6.716 -1.465 1.00 0.00 O ATOM 1184 CB VAL A 75 30.175 6.205 1.319 1.00 0.00 C ATOM 1185 CG1 VAL A 75 28.758 5.722 1.586 1.00 0.00 C ATOM 1186 CG2 VAL A 75 31.186 5.372 2.093 1.00 0.00 C ATOM 0 H VAL A 75 32.424 6.729 0.378 1.00 0.00 H new ATOM 0 HA VAL A 75 30.323 5.153 -0.559 1.00 0.00 H new ATOM 0 HB VAL A 75 30.251 7.237 1.661 1.00 0.00 H new ATOM 0 HG11 VAL A 75 28.557 5.758 2.657 1.00 0.00 H new ATOM 0 HG12 VAL A 75 28.050 6.364 1.062 1.00 0.00 H new ATOM 0 HG13 VAL A 75 28.650 4.697 1.230 1.00 0.00 H new ATOM 0 HG21 VAL A 75 30.952 5.411 3.157 1.00 0.00 H new ATOM 0 HG22 VAL A 75 31.144 4.338 1.750 1.00 0.00 H new ATOM 0 HG23 VAL A 75 32.188 5.769 1.927 1.00 0.00 H new ATOM 1196 N GLY A 76 29.907 8.406 -0.913 1.00 0.00 N ATOM 1197 CA GLY A 76 29.089 9.405 -1.575 1.00 0.00 C ATOM 1198 C GLY A 76 28.867 9.094 -3.042 1.00 0.00 C ATOM 1199 O GLY A 76 27.817 9.414 -3.599 1.00 0.00 O ATOM 0 H GLY A 76 30.748 8.769 -0.465 1.00 0.00 H new ATOM 0 HA2 GLY A 76 28.125 9.472 -1.071 1.00 0.00 H new ATOM 0 HA3 GLY A 76 29.566 10.381 -1.482 1.00 0.00 H new ATOM 1203 N ARG A 77 29.858 8.469 -3.669 1.00 0.00 N ATOM 1204 CA ARG A 77 29.767 8.116 -5.081 1.00 0.00 C ATOM 1205 C ARG A 77 28.760 6.990 -5.296 1.00 0.00 C ATOM 1206 O ARG A 77 28.101 6.923 -6.333 1.00 0.00 O ATOM 1207 CB ARG A 77 31.138 7.698 -5.614 1.00 0.00 C ATOM 1208 CG ARG A 77 31.341 8.012 -7.087 1.00 0.00 C ATOM 1209 CD ARG A 77 31.002 6.817 -7.964 1.00 0.00 C ATOM 1210 NE ARG A 77 31.735 6.839 -9.227 1.00 0.00 N ATOM 1211 CZ ARG A 77 31.438 6.061 -10.262 1.00 0.00 C ATOM 1212 NH1 ARG A 77 30.429 5.204 -10.184 1.00 0.00 N ATOM 1213 NH2 ARG A 77 32.152 6.140 -11.378 1.00 0.00 N ATOM 0 H ARG A 77 30.733 8.197 -3.222 1.00 0.00 H new ATOM 0 HA ARG A 77 29.425 8.995 -5.628 1.00 0.00 H new ATOM 0 HB2 ARG A 77 31.912 8.200 -5.034 1.00 0.00 H new ATOM 0 HB3 ARG A 77 31.268 6.627 -5.458 1.00 0.00 H new ATOM 0 HG2 ARG A 77 30.717 8.860 -7.369 1.00 0.00 H new ATOM 0 HG3 ARG A 77 32.376 8.308 -7.258 1.00 0.00 H new ATOM 0 HD2 ARG A 77 31.232 5.897 -7.427 1.00 0.00 H new ATOM 0 HD3 ARG A 77 29.931 6.808 -8.167 1.00 0.00 H new ATOM 0 HE ARG A 77 32.517 7.487 -9.319 1.00 0.00 H new ATOM 0 HH11 ARG A 77 29.879 5.141 -9.328 1.00 0.00 H new ATOM 0 HH12 ARG A 77 30.203 4.608 -10.980 1.00 0.00 H new ATOM 0 HH21 ARG A 77 32.929 6.798 -11.441 1.00 0.00 H new ATOM 0 HH22 ARG A 77 31.924 5.543 -12.173 1.00 0.00 H new ATOM 1227 N ASN A 78 28.648 6.107 -4.309 1.00 0.00 N ATOM 1228 CA ASN A 78 27.723 4.982 -4.391 1.00 0.00 C ATOM 1229 C ASN A 78 26.288 5.470 -4.567 1.00 0.00 C ATOM 1230 O ASN A 78 25.467 4.804 -5.197 1.00 0.00 O ATOM 1231 CB ASN A 78 27.829 4.115 -3.135 1.00 0.00 C ATOM 1232 CG ASN A 78 28.456 2.764 -3.416 1.00 0.00 C ATOM 1233 OD1 ASN A 78 27.889 1.941 -4.136 1.00 0.00 O ATOM 1234 ND2 ASN A 78 29.633 2.528 -2.848 1.00 0.00 N ATOM 0 H ASN A 78 29.186 6.149 -3.443 1.00 0.00 H new ATOM 0 HA ASN A 78 27.994 4.383 -5.261 1.00 0.00 H new ATOM 0 HB2 ASN A 78 28.422 4.638 -2.385 1.00 0.00 H new ATOM 0 HB3 ASN A 78 26.835 3.970 -2.712 1.00 0.00 H new ATOM 0 HD21 ASN A 78 30.103 1.636 -3.001 1.00 0.00 H new ATOM 0 HD22 ASN A 78 30.067 3.239 -2.259 1.00 0.00 H new ATOM 1241 N VAL A 79 25.993 6.638 -4.005 1.00 0.00 N ATOM 1242 CA VAL A 79 24.658 7.217 -4.100 1.00 0.00 C ATOM 1243 C VAL A 79 24.562 8.188 -5.272 1.00 0.00 C ATOM 1244 O VAL A 79 23.518 8.794 -5.506 1.00 0.00 O ATOM 1245 CB VAL A 79 24.272 7.954 -2.804 1.00 0.00 C ATOM 1246 CG1 VAL A 79 24.000 6.960 -1.685 1.00 0.00 C ATOM 1247 CG2 VAL A 79 25.364 8.934 -2.404 1.00 0.00 C ATOM 0 H VAL A 79 26.661 7.202 -3.479 1.00 0.00 H new ATOM 0 HA VAL A 79 23.965 6.391 -4.259 1.00 0.00 H new ATOM 0 HB VAL A 79 23.357 8.519 -2.986 1.00 0.00 H new ATOM 0 HG11 VAL A 79 23.729 7.499 -0.777 1.00 0.00 H new ATOM 0 HG12 VAL A 79 23.181 6.302 -1.974 1.00 0.00 H new ATOM 0 HG13 VAL A 79 24.895 6.366 -1.500 1.00 0.00 H new ATOM 0 HG21 VAL A 79 25.075 9.446 -1.486 1.00 0.00 H new ATOM 0 HG22 VAL A 79 26.296 8.393 -2.240 1.00 0.00 H new ATOM 0 HG23 VAL A 79 25.505 9.666 -3.199 1.00 0.00 H new ATOM 1257 N GLY A 80 25.662 8.331 -6.006 1.00 0.00 N ATOM 1258 CA GLY A 80 25.681 9.229 -7.146 1.00 0.00 C ATOM 1259 C GLY A 80 26.197 10.609 -6.787 1.00 0.00 C ATOM 1260 O GLY A 80 26.274 11.492 -7.642 1.00 0.00 O ATOM 0 H GLY A 80 26.540 7.841 -5.831 1.00 0.00 H new ATOM 0 HA2 GLY A 80 26.307 8.803 -7.930 1.00 0.00 H new ATOM 0 HA3 GLY A 80 24.674 9.315 -7.554 1.00 0.00 H new ATOM 1264 N PHE A 81 26.551 10.796 -5.520 1.00 0.00 N ATOM 1265 CA PHE A 81 27.060 12.079 -5.050 1.00 0.00 C ATOM 1266 C PHE A 81 28.579 12.142 -5.179 1.00 0.00 C ATOM 1267 O PHE A 81 29.299 11.370 -4.546 1.00 0.00 O ATOM 1268 CB PHE A 81 26.650 12.311 -3.594 1.00 0.00 C ATOM 1269 CG PHE A 81 25.174 12.520 -3.412 1.00 0.00 C ATOM 1270 CD1 PHE A 81 24.440 13.226 -4.351 1.00 0.00 C ATOM 1271 CD2 PHE A 81 24.521 12.010 -2.302 1.00 0.00 C ATOM 1272 CE1 PHE A 81 23.081 13.420 -4.187 1.00 0.00 C ATOM 1273 CE2 PHE A 81 23.162 12.200 -2.133 1.00 0.00 C ATOM 1274 CZ PHE A 81 22.442 12.907 -3.076 1.00 0.00 C ATOM 0 H PHE A 81 26.495 10.075 -4.800 1.00 0.00 H new ATOM 0 HA PHE A 81 26.628 12.863 -5.672 1.00 0.00 H new ATOM 0 HB2 PHE A 81 26.964 11.456 -2.996 1.00 0.00 H new ATOM 0 HB3 PHE A 81 27.182 13.181 -3.210 1.00 0.00 H new ATOM 0 HD1 PHE A 81 24.935 13.630 -5.222 1.00 0.00 H new ATOM 0 HD2 PHE A 81 25.079 11.458 -1.561 1.00 0.00 H new ATOM 0 HE1 PHE A 81 22.520 13.972 -4.927 1.00 0.00 H new ATOM 0 HE2 PHE A 81 22.664 11.796 -1.264 1.00 0.00 H new ATOM 0 HZ PHE A 81 21.381 13.058 -2.944 1.00 0.00 H new ATOM 1284 N ASP A 82 29.058 13.066 -6.004 1.00 0.00 N ATOM 1285 CA ASP A 82 30.492 13.231 -6.217 1.00 0.00 C ATOM 1286 C ASP A 82 31.093 14.161 -5.168 1.00 0.00 C ATOM 1287 O ASP A 82 32.254 14.012 -4.784 1.00 0.00 O ATOM 1288 CB ASP A 82 30.760 13.782 -7.618 1.00 0.00 C ATOM 1289 CG ASP A 82 30.018 15.076 -7.884 1.00 0.00 C ATOM 1290 OD1 ASP A 82 28.841 15.011 -8.297 1.00 0.00 O ATOM 1291 OD2 ASP A 82 30.613 16.155 -7.680 1.00 0.00 O ATOM 0 H ASP A 82 28.475 13.712 -6.536 1.00 0.00 H new ATOM 0 HA ASP A 82 30.964 12.253 -6.123 1.00 0.00 H new ATOM 0 HB2 ASP A 82 31.830 13.949 -7.741 1.00 0.00 H new ATOM 0 HB3 ASP A 82 30.466 13.039 -8.360 1.00 0.00 H new ATOM 1296 N ASP A 83 30.297 15.120 -4.708 1.00 0.00 N ATOM 1297 CA ASP A 83 30.751 16.074 -3.703 1.00 0.00 C ATOM 1298 C ASP A 83 30.550 15.519 -2.297 1.00 0.00 C ATOM 1299 O ASP A 83 29.425 15.234 -1.887 1.00 0.00 O ATOM 1300 CB ASP A 83 30.003 17.400 -3.853 1.00 0.00 C ATOM 1301 CG ASP A 83 30.588 18.274 -4.945 1.00 0.00 C ATOM 1302 OD1 ASP A 83 31.665 17.925 -5.472 1.00 0.00 O ATOM 1303 OD2 ASP A 83 29.968 19.307 -5.273 1.00 0.00 O ATOM 0 H ASP A 83 29.334 15.257 -5.015 1.00 0.00 H new ATOM 0 HA ASP A 83 31.816 16.247 -3.857 1.00 0.00 H new ATOM 0 HB2 ASP A 83 28.955 17.200 -4.075 1.00 0.00 H new ATOM 0 HB3 ASP A 83 30.031 17.939 -2.906 1.00 0.00 H new ATOM 1308 N GLN A 84 31.647 15.368 -1.563 1.00 0.00 N ATOM 1309 CA GLN A 84 31.591 14.845 -0.203 1.00 0.00 C ATOM 1310 C GLN A 84 30.779 15.766 0.701 1.00 0.00 C ATOM 1311 O GLN A 84 30.032 15.305 1.565 1.00 0.00 O ATOM 1312 CB GLN A 84 33.003 14.674 0.359 1.00 0.00 C ATOM 1313 CG GLN A 84 33.877 15.906 0.194 1.00 0.00 C ATOM 1314 CD GLN A 84 35.209 15.777 0.906 1.00 0.00 C ATOM 1315 OE1 GLN A 84 35.614 16.665 1.657 1.00 0.00 O ATOM 1316 NE2 GLN A 84 35.899 14.667 0.674 1.00 0.00 N ATOM 0 H GLN A 84 32.586 15.600 -1.887 1.00 0.00 H new ATOM 0 HA GLN A 84 31.100 13.872 -0.235 1.00 0.00 H new ATOM 0 HB2 GLN A 84 32.936 14.426 1.418 1.00 0.00 H new ATOM 0 HB3 GLN A 84 33.482 13.830 -0.136 1.00 0.00 H new ATOM 0 HG2 GLN A 84 34.052 16.083 -0.867 1.00 0.00 H new ATOM 0 HG3 GLN A 84 33.347 16.777 0.579 1.00 0.00 H new ATOM 0 HE21 GLN A 84 35.526 13.957 0.044 1.00 0.00 H new ATOM 0 HE22 GLN A 84 36.802 14.524 1.126 1.00 0.00 H new ATOM 1325 N LEU A 85 30.929 17.070 0.497 1.00 0.00 N ATOM 1326 CA LEU A 85 30.210 18.057 1.294 1.00 0.00 C ATOM 1327 C LEU A 85 28.717 18.026 0.982 1.00 0.00 C ATOM 1328 O LEU A 85 27.884 18.238 1.863 1.00 0.00 O ATOM 1329 CB LEU A 85 30.768 19.457 1.033 1.00 0.00 C ATOM 1330 CG LEU A 85 31.874 19.926 1.979 1.00 0.00 C ATOM 1331 CD1 LEU A 85 31.363 19.986 3.410 1.00 0.00 C ATOM 1332 CD2 LEU A 85 33.084 19.009 1.881 1.00 0.00 C ATOM 0 H LEU A 85 31.542 17.468 -0.214 1.00 0.00 H new ATOM 0 HA LEU A 85 30.348 17.808 2.346 1.00 0.00 H new ATOM 0 HB2 LEU A 85 31.152 19.489 0.013 1.00 0.00 H new ATOM 0 HB3 LEU A 85 29.945 20.170 1.086 1.00 0.00 H new ATOM 0 HG LEU A 85 32.178 20.929 1.682 1.00 0.00 H new ATOM 0 HD11 LEU A 85 32.164 20.322 4.069 1.00 0.00 H new ATOM 0 HD12 LEU A 85 30.528 20.684 3.469 1.00 0.00 H new ATOM 0 HD13 LEU A 85 31.030 18.995 3.719 1.00 0.00 H new ATOM 0 HD21 LEU A 85 33.861 19.358 2.561 1.00 0.00 H new ATOM 0 HD22 LEU A 85 32.794 17.994 2.152 1.00 0.00 H new ATOM 0 HD23 LEU A 85 33.465 19.017 0.860 1.00 0.00 H new ATOM 1344 N TYR A 86 28.387 17.759 -0.276 1.00 0.00 N ATOM 1345 CA TYR A 86 26.995 17.701 -0.705 1.00 0.00 C ATOM 1346 C TYR A 86 26.234 16.622 0.060 1.00 0.00 C ATOM 1347 O TYR A 86 25.139 16.860 0.569 1.00 0.00 O ATOM 1348 CB TYR A 86 26.913 17.429 -2.208 1.00 0.00 C ATOM 1349 CG TYR A 86 25.511 17.529 -2.767 1.00 0.00 C ATOM 1350 CD1 TYR A 86 24.617 16.472 -2.646 1.00 0.00 C ATOM 1351 CD2 TYR A 86 25.081 18.680 -3.415 1.00 0.00 C ATOM 1352 CE1 TYR A 86 23.336 16.559 -3.155 1.00 0.00 C ATOM 1353 CE2 TYR A 86 23.801 18.776 -3.926 1.00 0.00 C ATOM 1354 CZ TYR A 86 22.933 17.713 -3.794 1.00 0.00 C ATOM 1355 OH TYR A 86 21.657 17.805 -4.302 1.00 0.00 O ATOM 0 H TYR A 86 29.065 17.579 -1.017 1.00 0.00 H new ATOM 0 HA TYR A 86 26.535 18.666 -0.491 1.00 0.00 H new ATOM 0 HB2 TYR A 86 27.555 18.137 -2.732 1.00 0.00 H new ATOM 0 HB3 TYR A 86 27.305 16.432 -2.410 1.00 0.00 H new ATOM 0 HD1 TYR A 86 24.929 15.567 -2.146 1.00 0.00 H new ATOM 0 HD2 TYR A 86 25.759 19.514 -3.521 1.00 0.00 H new ATOM 0 HE1 TYR A 86 22.654 15.728 -3.053 1.00 0.00 H new ATOM 0 HE2 TYR A 86 23.482 19.679 -4.426 1.00 0.00 H new ATOM 0 HH TYR A 86 21.534 18.683 -4.719 1.00 0.00 H new ATOM 1365 N PHE A 87 26.824 15.433 0.137 1.00 0.00 N ATOM 1366 CA PHE A 87 26.203 14.316 0.839 1.00 0.00 C ATOM 1367 C PHE A 87 26.049 14.626 2.325 1.00 0.00 C ATOM 1368 O PHE A 87 25.017 14.331 2.928 1.00 0.00 O ATOM 1369 CB PHE A 87 27.035 13.045 0.655 1.00 0.00 C ATOM 1370 CG PHE A 87 26.554 11.889 1.485 1.00 0.00 C ATOM 1371 CD1 PHE A 87 25.316 11.316 1.246 1.00 0.00 C ATOM 1372 CD2 PHE A 87 27.341 11.375 2.502 1.00 0.00 C ATOM 1373 CE1 PHE A 87 24.871 10.252 2.008 1.00 0.00 C ATOM 1374 CE2 PHE A 87 26.902 10.311 3.268 1.00 0.00 C ATOM 1375 CZ PHE A 87 25.665 9.748 3.019 1.00 0.00 C ATOM 0 H PHE A 87 27.731 15.219 -0.278 1.00 0.00 H new ATOM 0 HA PHE A 87 25.212 14.158 0.414 1.00 0.00 H new ATOM 0 HB2 PHE A 87 27.019 12.759 -0.397 1.00 0.00 H new ATOM 0 HB3 PHE A 87 28.073 13.259 0.911 1.00 0.00 H new ATOM 0 HD1 PHE A 87 24.691 11.705 0.455 1.00 0.00 H new ATOM 0 HD2 PHE A 87 28.309 11.811 2.699 1.00 0.00 H new ATOM 0 HE1 PHE A 87 23.903 9.815 1.813 1.00 0.00 H new ATOM 0 HE2 PHE A 87 27.525 9.921 4.059 1.00 0.00 H new ATOM 0 HZ PHE A 87 25.320 8.915 3.614 1.00 0.00 H new ATOM 1385 N SER A 88 27.084 15.222 2.910 1.00 0.00 N ATOM 1386 CA SER A 88 27.066 15.568 4.326 1.00 0.00 C ATOM 1387 C SER A 88 26.009 16.630 4.613 1.00 0.00 C ATOM 1388 O SER A 88 25.344 16.596 5.648 1.00 0.00 O ATOM 1389 CB SER A 88 28.443 16.070 4.767 1.00 0.00 C ATOM 1390 OG SER A 88 28.584 17.458 4.516 1.00 0.00 O ATOM 0 H SER A 88 27.945 15.475 2.425 1.00 0.00 H new ATOM 0 HA SER A 88 26.816 14.670 4.891 1.00 0.00 H new ATOM 0 HB2 SER A 88 28.582 15.873 5.830 1.00 0.00 H new ATOM 0 HB3 SER A 88 29.221 15.520 4.237 1.00 0.00 H new ATOM 0 HG SER A 88 28.390 17.641 3.573 1.00 0.00 H new ATOM 1396 N ARG A 89 25.860 17.572 3.687 1.00 0.00 N ATOM 1397 CA ARG A 89 24.885 18.646 3.840 1.00 0.00 C ATOM 1398 C ARG A 89 23.466 18.088 3.886 1.00 0.00 C ATOM 1399 O ARG A 89 22.689 18.412 4.784 1.00 0.00 O ATOM 1400 CB ARG A 89 25.014 19.648 2.692 1.00 0.00 C ATOM 1401 CG ARG A 89 26.108 20.681 2.905 1.00 0.00 C ATOM 1402 CD ARG A 89 26.111 21.726 1.800 1.00 0.00 C ATOM 1403 NE ARG A 89 26.763 21.237 0.587 1.00 0.00 N ATOM 1404 CZ ARG A 89 26.734 21.882 -0.574 1.00 0.00 C ATOM 1405 NH1 ARG A 89 26.088 23.036 -0.679 1.00 0.00 N ATOM 1406 NH2 ARG A 89 27.351 21.374 -1.632 1.00 0.00 N ATOM 0 H ARG A 89 26.401 17.613 2.824 1.00 0.00 H new ATOM 0 HA ARG A 89 25.087 19.156 4.782 1.00 0.00 H new ATOM 0 HB2 ARG A 89 25.214 19.105 1.768 1.00 0.00 H new ATOM 0 HB3 ARG A 89 24.062 20.162 2.561 1.00 0.00 H new ATOM 0 HG2 ARG A 89 25.966 21.170 3.869 1.00 0.00 H new ATOM 0 HG3 ARG A 89 27.077 20.184 2.940 1.00 0.00 H new ATOM 0 HD2 ARG A 89 25.085 22.013 1.570 1.00 0.00 H new ATOM 0 HD3 ARG A 89 26.622 22.623 2.150 1.00 0.00 H new ATOM 0 HE ARG A 89 27.268 20.352 0.634 1.00 0.00 H new ATOM 0 HH11 ARG A 89 25.612 23.430 0.133 1.00 0.00 H new ATOM 0 HH12 ARG A 89 26.067 23.529 -1.571 1.00 0.00 H new ATOM 0 HH21 ARG A 89 27.849 20.487 -1.555 1.00 0.00 H new ATOM 0 HH22 ARG A 89 27.328 21.870 -2.523 1.00 0.00 H new ATOM 1420 N VAL A 90 23.133 17.248 2.911 1.00 0.00 N ATOM 1421 CA VAL A 90 21.808 16.645 2.840 1.00 0.00 C ATOM 1422 C VAL A 90 21.609 15.622 3.952 1.00 0.00 C ATOM 1423 O VAL A 90 20.575 15.608 4.620 1.00 0.00 O ATOM 1424 CB VAL A 90 21.575 15.960 1.480 1.00 0.00 C ATOM 1425 CG1 VAL A 90 20.199 15.313 1.436 1.00 0.00 C ATOM 1426 CG2 VAL A 90 21.740 16.959 0.345 1.00 0.00 C ATOM 0 H VAL A 90 23.763 16.970 2.159 1.00 0.00 H new ATOM 0 HA VAL A 90 21.086 17.453 2.960 1.00 0.00 H new ATOM 0 HB VAL A 90 22.322 15.176 1.355 1.00 0.00 H new ATOM 0 HG11 VAL A 90 20.053 14.834 0.468 1.00 0.00 H new ATOM 0 HG12 VAL A 90 20.123 14.565 2.226 1.00 0.00 H new ATOM 0 HG13 VAL A 90 19.434 16.075 1.583 1.00 0.00 H new ATOM 0 HG21 VAL A 90 21.572 16.458 -0.608 1.00 0.00 H new ATOM 0 HG22 VAL A 90 21.017 17.766 0.463 1.00 0.00 H new ATOM 0 HG23 VAL A 90 22.749 17.370 0.366 1.00 0.00 H new ATOM 1436 N PHE A 91 22.607 14.766 4.147 1.00 0.00 N ATOM 1437 CA PHE A 91 22.543 13.738 5.179 1.00 0.00 C ATOM 1438 C PHE A 91 22.416 14.366 6.564 1.00 0.00 C ATOM 1439 O PHE A 91 21.732 13.835 7.439 1.00 0.00 O ATOM 1440 CB PHE A 91 23.787 12.849 5.122 1.00 0.00 C ATOM 1441 CG PHE A 91 23.896 11.896 6.277 1.00 0.00 C ATOM 1442 CD1 PHE A 91 24.526 12.278 7.450 1.00 0.00 C ATOM 1443 CD2 PHE A 91 23.368 10.618 6.190 1.00 0.00 C ATOM 1444 CE1 PHE A 91 24.628 11.402 8.515 1.00 0.00 C ATOM 1445 CE2 PHE A 91 23.467 9.737 7.251 1.00 0.00 C ATOM 1446 CZ PHE A 91 24.097 10.131 8.415 1.00 0.00 C ATOM 0 H PHE A 91 23.470 14.764 3.603 1.00 0.00 H new ATOM 0 HA PHE A 91 21.660 13.127 4.993 1.00 0.00 H new ATOM 0 HB2 PHE A 91 23.775 12.280 4.192 1.00 0.00 H new ATOM 0 HB3 PHE A 91 24.675 13.481 5.098 1.00 0.00 H new ATOM 0 HD1 PHE A 91 24.942 13.271 7.534 1.00 0.00 H new ATOM 0 HD2 PHE A 91 22.873 10.306 5.282 1.00 0.00 H new ATOM 0 HE1 PHE A 91 25.122 11.711 9.424 1.00 0.00 H new ATOM 0 HE2 PHE A 91 23.053 8.743 7.170 1.00 0.00 H new ATOM 0 HZ PHE A 91 24.174 9.446 9.246 1.00 0.00 H new ATOM 1456 N LYS A 92 23.082 15.500 6.757 1.00 0.00 N ATOM 1457 CA LYS A 92 23.045 16.202 8.034 1.00 0.00 C ATOM 1458 C LYS A 92 21.611 16.545 8.425 1.00 0.00 C ATOM 1459 O LYS A 92 21.188 16.298 9.555 1.00 0.00 O ATOM 1460 CB LYS A 92 23.884 17.480 7.962 1.00 0.00 C ATOM 1461 CG LYS A 92 23.744 18.369 9.184 1.00 0.00 C ATOM 1462 CD LYS A 92 22.864 19.575 8.899 1.00 0.00 C ATOM 1463 CE LYS A 92 23.385 20.823 9.595 1.00 0.00 C ATOM 1464 NZ LYS A 92 24.740 21.204 9.109 1.00 0.00 N ATOM 0 H LYS A 92 23.654 15.952 6.044 1.00 0.00 H new ATOM 0 HA LYS A 92 23.463 15.542 8.794 1.00 0.00 H new ATOM 0 HB2 LYS A 92 24.933 17.210 7.838 1.00 0.00 H new ATOM 0 HB3 LYS A 92 23.594 18.046 7.077 1.00 0.00 H new ATOM 0 HG2 LYS A 92 23.319 17.794 10.007 1.00 0.00 H new ATOM 0 HG3 LYS A 92 24.730 18.705 9.506 1.00 0.00 H new ATOM 0 HD2 LYS A 92 22.820 19.748 7.824 1.00 0.00 H new ATOM 0 HD3 LYS A 92 21.846 19.370 9.231 1.00 0.00 H new ATOM 0 HE2 LYS A 92 22.693 21.648 9.426 1.00 0.00 H new ATOM 0 HE3 LYS A 92 23.420 20.651 10.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 24.862 22.233 9.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 25.462 20.722 9.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 24.843 20.924 8.113 1.00 0.00 H new ATOM 1478 N LYS A 93 20.866 17.114 7.483 1.00 0.00 N ATOM 1479 CA LYS A 93 19.478 17.489 7.728 1.00 0.00 C ATOM 1480 C LYS A 93 18.572 16.262 7.708 1.00 0.00 C ATOM 1481 O LYS A 93 17.507 16.255 8.328 1.00 0.00 O ATOM 1482 CB LYS A 93 19.009 18.499 6.679 1.00 0.00 C ATOM 1483 CG LYS A 93 19.918 19.709 6.550 1.00 0.00 C ATOM 1484 CD LYS A 93 19.634 20.487 5.276 1.00 0.00 C ATOM 1485 CE LYS A 93 20.663 21.584 5.052 1.00 0.00 C ATOM 1486 NZ LYS A 93 20.585 22.641 6.098 1.00 0.00 N ATOM 0 H LYS A 93 21.200 17.326 6.543 1.00 0.00 H new ATOM 0 HA LYS A 93 19.420 17.946 8.716 1.00 0.00 H new ATOM 0 HB2 LYS A 93 18.942 18.001 5.712 1.00 0.00 H new ATOM 0 HB3 LYS A 93 18.004 18.836 6.935 1.00 0.00 H new ATOM 0 HG2 LYS A 93 19.782 20.361 7.413 1.00 0.00 H new ATOM 0 HG3 LYS A 93 20.959 19.385 6.555 1.00 0.00 H new ATOM 0 HD2 LYS A 93 19.635 19.806 4.425 1.00 0.00 H new ATOM 0 HD3 LYS A 93 18.638 20.927 5.331 1.00 0.00 H new ATOM 0 HE2 LYS A 93 21.662 21.149 5.049 1.00 0.00 H new ATOM 0 HE3 LYS A 93 20.508 22.032 4.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 21.256 23.403 5.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 19.620 23.027 6.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 20.825 22.232 7.024 1.00 0.00 H new ATOM 1500 N CYS A 94 19.001 15.227 6.995 1.00 0.00 N ATOM 1501 CA CYS A 94 18.228 13.994 6.896 1.00 0.00 C ATOM 1502 C CYS A 94 18.005 13.380 8.274 1.00 0.00 C ATOM 1503 O CYS A 94 16.879 13.037 8.639 1.00 0.00 O ATOM 1504 CB CYS A 94 18.941 12.992 5.987 1.00 0.00 C ATOM 1505 SG CYS A 94 18.552 13.180 4.232 1.00 0.00 S ATOM 0 H CYS A 94 19.880 15.217 6.477 1.00 0.00 H new ATOM 0 HA CYS A 94 17.257 14.237 6.465 1.00 0.00 H new ATOM 0 HB2 CYS A 94 20.017 13.097 6.123 1.00 0.00 H new ATOM 0 HB3 CYS A 94 18.677 11.982 6.300 1.00 0.00 H new ATOM 0 HG CYS A 94 18.428 12.006 3.687 1.00 0.00 H new ATOM 1511 N THR A 95 19.085 13.241 9.037 1.00 0.00 N ATOM 1512 CA THR A 95 19.008 12.666 10.374 1.00 0.00 C ATOM 1513 C THR A 95 19.115 13.746 11.444 1.00 0.00 C ATOM 1514 O THR A 95 18.871 13.492 12.623 1.00 0.00 O ATOM 1515 CB THR A 95 20.118 11.622 10.601 1.00 0.00 C ATOM 1516 OG1 THR A 95 21.402 12.255 10.552 1.00 0.00 O ATOM 1517 CG2 THR A 95 20.048 10.522 9.553 1.00 0.00 C ATOM 0 H THR A 95 20.024 13.519 8.751 1.00 0.00 H new ATOM 0 HA THR A 95 18.037 12.176 10.452 1.00 0.00 H new ATOM 0 HB THR A 95 19.971 11.175 11.584 1.00 0.00 H new ATOM 0 HG1 THR A 95 22.103 11.586 10.699 1.00 0.00 H new ATOM 0 HG21 THR A 95 20.841 9.797 9.733 1.00 0.00 H new ATOM 0 HG22 THR A 95 19.080 10.024 9.612 1.00 0.00 H new ATOM 0 HG23 THR A 95 20.172 10.956 8.561 1.00 0.00 H new ATOM 1525 N GLY A 96 19.480 14.954 11.025 1.00 0.00 N ATOM 1526 CA GLY A 96 19.612 16.055 11.961 1.00 0.00 C ATOM 1527 C GLY A 96 21.040 16.246 12.435 1.00 0.00 C ATOM 1528 O GLY A 96 21.354 17.232 13.100 1.00 0.00 O ATOM 0 H GLY A 96 19.687 15.190 10.054 1.00 0.00 H new ATOM 0 HA2 GLY A 96 19.264 16.973 11.488 1.00 0.00 H new ATOM 0 HA3 GLY A 96 18.968 15.875 12.822 1.00 0.00 H new ATOM 1532 N ALA A 97 21.906 15.298 12.093 1.00 0.00 N ATOM 1533 CA ALA A 97 23.308 15.366 12.487 1.00 0.00 C ATOM 1534 C ALA A 97 24.222 14.953 11.338 1.00 0.00 C ATOM 1535 O ALA A 97 23.858 14.115 10.514 1.00 0.00 O ATOM 1536 CB ALA A 97 23.557 14.489 13.704 1.00 0.00 C ATOM 0 H ALA A 97 21.662 14.474 11.544 1.00 0.00 H new ATOM 0 HA ALA A 97 23.538 16.400 12.745 1.00 0.00 H new ATOM 0 HB1 ALA A 97 24.608 14.549 13.987 1.00 0.00 H new ATOM 0 HB2 ALA A 97 22.938 14.832 14.533 1.00 0.00 H new ATOM 0 HB3 ALA A 97 23.304 13.456 13.466 1.00 0.00 H new ATOM 1542 N SER A 98 25.410 15.547 11.290 1.00 0.00 N ATOM 1543 CA SER A 98 26.375 15.243 10.240 1.00 0.00 C ATOM 1544 C SER A 98 26.847 13.796 10.338 1.00 0.00 C ATOM 1545 O SER A 98 26.691 13.133 11.364 1.00 0.00 O ATOM 1546 CB SER A 98 27.573 16.190 10.330 1.00 0.00 C ATOM 1547 OG SER A 98 27.637 16.813 11.600 1.00 0.00 O ATOM 0 H SER A 98 25.727 16.242 11.966 1.00 0.00 H new ATOM 0 HA SER A 98 25.883 15.381 9.277 1.00 0.00 H new ATOM 0 HB2 SER A 98 28.493 15.635 10.147 1.00 0.00 H new ATOM 0 HB3 SER A 98 27.499 16.950 9.552 1.00 0.00 H new ATOM 0 HG SER A 98 28.412 17.412 11.632 1.00 0.00 H new ATOM 1553 N PRO A 99 27.439 13.292 9.245 1.00 0.00 N ATOM 1554 CA PRO A 99 27.947 11.919 9.181 1.00 0.00 C ATOM 1555 C PRO A 99 29.176 11.714 10.061 1.00 0.00 C ATOM 1556 O PRO A 99 29.394 10.627 10.596 1.00 0.00 O ATOM 1557 CB PRO A 99 28.311 11.743 7.705 1.00 0.00 C ATOM 1558 CG PRO A 99 28.581 13.123 7.214 1.00 0.00 C ATOM 1559 CD PRO A 99 27.659 14.025 7.986 1.00 0.00 C ATOM 0 HA PRO A 99 27.215 11.197 9.542 1.00 0.00 H new ATOM 0 HB2 PRO A 99 29.185 11.103 7.587 1.00 0.00 H new ATOM 0 HB3 PRO A 99 27.497 11.277 7.149 1.00 0.00 H new ATOM 0 HG2 PRO A 99 29.623 13.398 7.377 1.00 0.00 H new ATOM 0 HG3 PRO A 99 28.395 13.199 6.143 1.00 0.00 H new ATOM 0 HD2 PRO A 99 28.108 15.002 8.163 1.00 0.00 H new ATOM 0 HD3 PRO A 99 26.724 14.196 7.452 1.00 0.00 H new ATOM 1567 N SER A 100 29.976 12.766 10.206 1.00 0.00 N ATOM 1568 CA SER A 100 31.185 12.700 11.019 1.00 0.00 C ATOM 1569 C SER A 100 30.838 12.533 12.495 1.00 0.00 C ATOM 1570 O SER A 100 31.557 11.868 13.241 1.00 0.00 O ATOM 1571 CB SER A 100 32.027 13.961 10.820 1.00 0.00 C ATOM 1572 OG SER A 100 32.858 13.845 9.678 1.00 0.00 O ATOM 0 H SER A 100 29.809 13.673 9.771 1.00 0.00 H new ATOM 0 HA SER A 100 31.762 11.832 10.699 1.00 0.00 H new ATOM 0 HB2 SER A 100 31.372 14.826 10.711 1.00 0.00 H new ATOM 0 HB3 SER A 100 32.641 14.135 11.704 1.00 0.00 H new ATOM 0 HG SER A 100 33.385 14.665 9.572 1.00 0.00 H new ATOM 1578 N GLU A 101 29.732 13.142 12.910 1.00 0.00 N ATOM 1579 CA GLU A 101 29.291 13.062 14.297 1.00 0.00 C ATOM 1580 C GLU A 101 28.692 11.691 14.600 1.00 0.00 C ATOM 1581 O GLU A 101 29.027 11.063 15.605 1.00 0.00 O ATOM 1582 CB GLU A 101 28.262 14.156 14.593 1.00 0.00 C ATOM 1583 CG GLU A 101 27.887 14.258 16.062 1.00 0.00 C ATOM 1584 CD GLU A 101 27.885 15.689 16.565 1.00 0.00 C ATOM 1585 OE1 GLU A 101 27.161 16.522 15.980 1.00 0.00 O ATOM 1586 OE2 GLU A 101 28.607 15.976 17.542 1.00 0.00 O ATOM 0 H GLU A 101 29.125 13.696 12.306 1.00 0.00 H new ATOM 0 HA GLU A 101 30.161 13.209 14.936 1.00 0.00 H new ATOM 0 HB2 GLU A 101 28.658 15.115 14.261 1.00 0.00 H new ATOM 0 HB3 GLU A 101 27.362 13.964 14.009 1.00 0.00 H new ATOM 0 HG2 GLU A 101 26.899 13.823 16.212 1.00 0.00 H new ATOM 0 HG3 GLU A 101 28.588 13.670 16.654 1.00 0.00 H new ATOM 1593 N PHE A 102 27.805 11.233 13.723 1.00 0.00 N ATOM 1594 CA PHE A 102 27.158 9.938 13.896 1.00 0.00 C ATOM 1595 C PHE A 102 28.190 8.815 13.931 1.00 0.00 C ATOM 1596 O PHE A 102 28.096 7.896 14.744 1.00 0.00 O ATOM 1597 CB PHE A 102 26.156 9.690 12.766 1.00 0.00 C ATOM 1598 CG PHE A 102 25.361 8.426 12.936 1.00 0.00 C ATOM 1599 CD1 PHE A 102 25.868 7.211 12.507 1.00 0.00 C ATOM 1600 CD2 PHE A 102 24.108 8.455 13.526 1.00 0.00 C ATOM 1601 CE1 PHE A 102 25.139 6.047 12.661 1.00 0.00 C ATOM 1602 CE2 PHE A 102 23.374 7.294 13.684 1.00 0.00 C ATOM 1603 CZ PHE A 102 23.891 6.088 13.252 1.00 0.00 C ATOM 0 H PHE A 102 27.518 11.739 12.885 1.00 0.00 H new ATOM 0 HA PHE A 102 26.627 9.949 14.848 1.00 0.00 H new ATOM 0 HB2 PHE A 102 25.471 10.536 12.707 1.00 0.00 H new ATOM 0 HB3 PHE A 102 26.693 9.648 11.818 1.00 0.00 H new ATOM 0 HD1 PHE A 102 26.844 7.173 12.047 1.00 0.00 H new ATOM 0 HD2 PHE A 102 23.700 9.395 13.866 1.00 0.00 H new ATOM 0 HE1 PHE A 102 25.545 5.106 12.320 1.00 0.00 H new ATOM 0 HE2 PHE A 102 22.398 7.330 14.145 1.00 0.00 H new ATOM 0 HZ PHE A 102 23.321 5.179 13.376 1.00 0.00 H new ATOM 1613 N ARG A 103 29.175 8.896 13.041 1.00 0.00 N ATOM 1614 CA ARG A 103 30.224 7.886 12.969 1.00 0.00 C ATOM 1615 C ARG A 103 31.116 7.939 14.206 1.00 0.00 C ATOM 1616 O ARG A 103 31.624 6.915 14.661 1.00 0.00 O ATOM 1617 CB ARG A 103 31.068 8.088 11.709 1.00 0.00 C ATOM 1618 CG ARG A 103 31.770 6.824 11.238 1.00 0.00 C ATOM 1619 CD ARG A 103 32.652 7.095 10.029 1.00 0.00 C ATOM 1620 NE ARG A 103 33.689 6.079 9.869 1.00 0.00 N ATOM 1621 CZ ARG A 103 34.643 6.142 8.948 1.00 0.00 C ATOM 1622 NH1 ARG A 103 34.693 7.166 8.108 1.00 0.00 N ATOM 1623 NH2 ARG A 103 35.552 5.178 8.866 1.00 0.00 N ATOM 0 H ARG A 103 29.268 9.650 12.361 1.00 0.00 H new ATOM 0 HA ARG A 103 29.749 6.906 12.927 1.00 0.00 H new ATOM 0 HB2 ARG A 103 30.428 8.458 10.908 1.00 0.00 H new ATOM 0 HB3 ARG A 103 31.815 8.858 11.902 1.00 0.00 H new ATOM 0 HG2 ARG A 103 32.376 6.419 12.049 1.00 0.00 H new ATOM 0 HG3 ARG A 103 31.028 6.066 10.986 1.00 0.00 H new ATOM 0 HD2 ARG A 103 32.035 7.128 9.131 1.00 0.00 H new ATOM 0 HD3 ARG A 103 33.118 8.075 10.132 1.00 0.00 H new ATOM 0 HE ARG A 103 33.680 5.277 10.499 1.00 0.00 H new ATOM 0 HH11 ARG A 103 33.997 7.909 8.168 1.00 0.00 H new ATOM 0 HH12 ARG A 103 35.428 7.211 7.402 1.00 0.00 H new ATOM 0 HH21 ARG A 103 35.518 4.388 9.511 1.00 0.00 H new ATOM 0 HH22 ARG A 103 36.285 5.227 8.158 1.00 0.00 H new ATOM 1637 N ALA A 104 31.302 9.140 14.744 1.00 0.00 N ATOM 1638 CA ALA A 104 32.131 9.325 15.928 1.00 0.00 C ATOM 1639 C ALA A 104 31.390 8.895 17.190 1.00 0.00 C ATOM 1640 O ALA A 104 32.007 8.534 18.191 1.00 0.00 O ATOM 1641 CB ALA A 104 32.571 10.778 16.042 1.00 0.00 C ATOM 0 H ALA A 104 30.890 9.999 14.379 1.00 0.00 H new ATOM 0 HA ALA A 104 33.015 8.695 15.824 1.00 0.00 H new ATOM 0 HB1 ALA A 104 33.190 10.902 16.931 1.00 0.00 H new ATOM 0 HB2 ALA A 104 33.146 11.054 15.158 1.00 0.00 H new ATOM 0 HB3 ALA A 104 31.693 11.419 16.119 1.00 0.00 H new ATOM 1647 N GLY A 105 30.062 8.936 17.135 1.00 0.00 N ATOM 1648 CA GLY A 105 29.260 8.549 18.280 1.00 0.00 C ATOM 1649 C GLY A 105 29.089 9.677 19.277 1.00 0.00 C ATOM 1650 O GLY A 105 28.628 9.460 20.398 1.00 0.00 O ATOM 0 H GLY A 105 29.528 9.230 16.318 1.00 0.00 H new ATOM 0 HA2 GLY A 105 28.279 8.219 17.938 1.00 0.00 H new ATOM 0 HA3 GLY A 105 29.727 7.698 18.776 1.00 0.00 H new ATOM 1654 N CYS A 106 29.461 10.886 18.869 1.00 0.00 N ATOM 1655 CA CYS A 106 29.348 12.053 19.737 1.00 0.00 C ATOM 1656 C CYS A 106 27.897 12.510 19.849 1.00 0.00 C ATOM 1657 O CYS A 106 27.198 12.638 18.844 1.00 0.00 O ATOM 1658 CB CYS A 106 30.215 13.195 19.204 1.00 0.00 C ATOM 1659 SG CYS A 106 30.119 14.713 20.182 1.00 0.00 S ATOM 0 H CYS A 106 29.843 11.083 17.944 1.00 0.00 H new ATOM 0 HA CYS A 106 29.698 11.772 20.730 1.00 0.00 H new ATOM 0 HB2 CYS A 106 31.253 12.863 19.169 1.00 0.00 H new ATOM 0 HB3 CYS A 106 29.916 13.416 18.179 1.00 0.00 H new ATOM 0 HG CYS A 106 29.527 15.640 19.488 1.00 0.00 H new