USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 652 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 93 HIS :FLIP no HD1:sc= -0.434 F(o=-3.1,f=-2.1) USER MOD Set 1.2: A 94 ASN :FLIP amide:sc= -1.63 F(o=-3.7,f=-2.1) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 6 HIS :FLIP no HD1:sc= -0.125 F(o=-0.71,f=-0.12) USER MOD Single : A 9 LYS NZ :NH3+ -178:sc= 0.966 (180deg=0.961) USER MOD Single : A 10 THR OG1 : rot 34:sc= -2.78! USER MOD Single : A 12 ASN :FLIP amide:sc= -1.3 F(o=-1.9!,f=-1.3) USER MOD Single : A 15 SER OG : rot 180:sc= -0.0236 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.0206 K(o=-0.021,f=-1.8!) USER MOD Single : A 19 ASN : amide:sc= -0.0792 K(o=-0.079,f=-0.96) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.0287 K(o=-0.029,f=-1.9!) USER MOD Single : A 28 LYS NZ :NH3+ 155:sc=-0.00468 (180deg=-0.195) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 180:sc= -5.37! USER MOD Single : A 47 SER OG : rot -162:sc= -5.61! USER MOD Single : A 55 LYS NZ :NH3+ -157:sc= -21.8! (180deg=-23!) USER MOD Single : A 56 HIS :FLIP no HD1:sc= -1.37! C(o=-3.3!,f=-1.4!) USER MOD Single : A 57 CYS SG : rot 180:sc= -0.93 USER MOD Single : A 60 ASN :FLIP amide:sc=-0.00287 F(o=-1.6!,f=-0.0029) USER MOD Single : A 77 SER OG : rot 39:sc= 0.0612 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -12.3! C(o=-12!,f=-24!) USER MOD Single : A 87 HIS :FLIP no HD1:sc= -0.07 F(o=-0.64,f=-0.07) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= -1.51! USER MOD Single : A 92 GLN :FLIP amide:sc= -0.356 F(o=-1.2,f=-0.36) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -0.0483 K(o=-0.048,f=-1.5!) USER MOD Single : A 100 THR OG1 : rot 26:sc= 0.088 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 30 N LEU A 3 91.988 -1.190 -15.703 1.00 0.00 N ATOM 31 CA LEU A 3 92.165 -1.044 -14.233 1.00 0.00 C ATOM 32 C LEU A 3 90.977 -1.706 -13.520 1.00 0.00 C ATOM 33 O LEU A 3 89.843 -1.546 -13.923 1.00 0.00 O ATOM 34 CB LEU A 3 92.208 0.449 -13.883 1.00 0.00 C ATOM 35 CG LEU A 3 93.440 1.103 -14.514 1.00 0.00 C ATOM 36 CD1 LEU A 3 93.321 2.623 -14.386 1.00 0.00 C ATOM 37 CD2 LEU A 3 94.706 0.634 -13.788 1.00 0.00 C ATOM 0 HA LEU A 3 93.093 -1.520 -13.916 1.00 0.00 H new ATOM 0 HB2 LEU A 3 91.303 0.940 -14.240 1.00 0.00 H new ATOM 0 HB3 LEU A 3 92.234 0.576 -12.801 1.00 0.00 H new ATOM 0 HG LEU A 3 93.501 0.821 -15.565 1.00 0.00 H new ATOM 0 HD11 LEU A 3 94.195 3.095 -14.834 1.00 0.00 H new ATOM 0 HD12 LEU A 3 92.422 2.962 -14.901 1.00 0.00 H new ATOM 0 HD13 LEU A 3 93.261 2.896 -13.332 1.00 0.00 H new ATOM 0 HD21 LEU A 3 95.580 1.102 -14.241 1.00 0.00 H new ATOM 0 HD22 LEU A 3 94.648 0.915 -12.737 1.00 0.00 H new ATOM 0 HD23 LEU A 3 94.792 -0.450 -13.870 1.00 0.00 H new ATOM 49 N PRO A 4 91.232 -2.452 -12.478 1.00 0.00 N ATOM 50 CA PRO A 4 90.158 -3.150 -11.712 1.00 0.00 C ATOM 51 C PRO A 4 89.193 -2.177 -11.029 1.00 0.00 C ATOM 52 O PRO A 4 88.213 -2.577 -10.433 1.00 0.00 O ATOM 53 CB PRO A 4 90.913 -3.989 -10.677 1.00 0.00 C ATOM 54 CG PRO A 4 92.267 -3.375 -10.563 1.00 0.00 C ATOM 55 CD PRO A 4 92.561 -2.704 -11.906 1.00 0.00 C ATOM 0 HA PRO A 4 89.529 -3.750 -12.370 1.00 0.00 H new ATOM 0 HB2 PRO A 4 90.398 -3.980 -9.716 1.00 0.00 H new ATOM 0 HB3 PRO A 4 90.981 -5.030 -10.993 1.00 0.00 H new ATOM 0 HG2 PRO A 4 92.294 -2.647 -9.752 1.00 0.00 H new ATOM 0 HG3 PRO A 4 93.017 -4.132 -10.337 1.00 0.00 H new ATOM 0 HD2 PRO A 4 93.121 -1.778 -11.775 1.00 0.00 H new ATOM 0 HD3 PRO A 4 93.157 -3.349 -12.552 1.00 0.00 H new ATOM 63 N HIS A 5 89.460 -0.901 -11.111 1.00 0.00 N ATOM 64 CA HIS A 5 88.552 0.086 -10.466 1.00 0.00 C ATOM 65 C HIS A 5 87.322 0.314 -11.353 1.00 0.00 C ATOM 66 O HIS A 5 86.322 0.839 -10.912 1.00 0.00 O ATOM 67 CB HIS A 5 89.292 1.409 -10.248 1.00 0.00 C ATOM 68 CG HIS A 5 90.474 1.167 -9.347 1.00 0.00 C ATOM 69 ND1 HIS A 5 90.329 0.715 -8.046 1.00 0.00 N ATOM 70 CD2 HIS A 5 91.826 1.288 -9.553 1.00 0.00 C ATOM 71 CE1 HIS A 5 91.561 0.577 -7.524 1.00 0.00 C ATOM 72 NE2 HIS A 5 92.511 0.914 -8.401 1.00 0.00 N ATOM 0 H HIS A 5 90.265 -0.502 -11.595 1.00 0.00 H new ATOM 0 HA HIS A 5 88.228 -0.302 -9.500 1.00 0.00 H new ATOM 0 HB2 HIS A 5 89.624 1.817 -11.203 1.00 0.00 H new ATOM 0 HB3 HIS A 5 88.623 2.145 -9.802 1.00 0.00 H new ATOM 0 HD2 HIS A 5 92.288 1.623 -10.470 1.00 0.00 H new ATOM 0 HE1 HIS A 5 91.758 0.235 -6.519 1.00 0.00 H new ATOM 0 HE2 HIS A 5 93.521 0.900 -8.257 1.00 0.00 H new ATOM 80 N HIS A 6 87.378 -0.072 -12.598 1.00 0.00 N ATOM 81 CA HIS A 6 86.196 0.131 -13.484 1.00 0.00 C ATOM 82 C HIS A 6 85.004 -0.649 -12.925 1.00 0.00 C ATOM 83 O HIS A 6 83.915 -0.127 -12.785 1.00 0.00 O ATOM 84 CB HIS A 6 86.514 -0.377 -14.888 1.00 0.00 C ATOM 85 CG HIS A 6 87.530 0.528 -15.521 1.00 0.00 C ATOM 86 ND1 HIS A 6 88.675 1.099 -15.030 1.00 0.00 N flip ATOM 87 CD2 HIS A 6 87.425 0.954 -16.834 1.00 0.00 C flip ATOM 88 CE1 HIS A 6 89.276 1.871 -16.019 1.00 0.00 C flip ATOM 89 NE2 HIS A 6 88.481 1.749 -17.087 1.00 0.00 N flip ATOM 0 H HIS A 6 88.184 -0.516 -13.038 1.00 0.00 H new ATOM 0 HA HIS A 6 85.955 1.193 -13.527 1.00 0.00 H new ATOM 0 HB2 HIS A 6 86.897 -1.397 -14.841 1.00 0.00 H new ATOM 0 HB3 HIS A 6 85.607 -0.404 -15.492 1.00 0.00 H new ATOM 0 HD2 HIS A 6 86.639 0.696 -17.528 1.00 0.00 H new ATOM 0 HE1 HIS A 6 90.188 2.445 -15.941 1.00 0.00 H new ATOM 0 HE2 HIS A 6 88.654 2.203 -17.984 1.00 0.00 H new ATOM 97 N ASP A 7 85.208 -1.894 -12.591 1.00 0.00 N ATOM 98 CA ASP A 7 84.098 -2.706 -12.031 1.00 0.00 C ATOM 99 C ASP A 7 84.245 -2.746 -10.510 1.00 0.00 C ATOM 100 O ASP A 7 85.303 -3.033 -9.988 1.00 0.00 O ATOM 101 CB ASP A 7 84.165 -4.127 -12.592 1.00 0.00 C ATOM 102 CG ASP A 7 83.812 -4.115 -14.081 1.00 0.00 C ATOM 103 OD1 ASP A 7 83.192 -3.160 -14.517 1.00 0.00 O ATOM 104 OD2 ASP A 7 84.167 -5.063 -14.762 1.00 0.00 O ATOM 0 H ASP A 7 86.099 -2.382 -12.683 1.00 0.00 H new ATOM 0 HA ASP A 7 83.139 -2.265 -12.302 1.00 0.00 H new ATOM 0 HB2 ASP A 7 85.165 -4.537 -12.449 1.00 0.00 H new ATOM 0 HB3 ASP A 7 83.475 -4.774 -12.051 1.00 0.00 H new ATOM 109 N GLU A 8 83.197 -2.453 -9.792 1.00 0.00 N ATOM 110 CA GLU A 8 83.294 -2.466 -8.307 1.00 0.00 C ATOM 111 C GLU A 8 83.369 -3.902 -7.804 1.00 0.00 C ATOM 112 O GLU A 8 83.499 -4.154 -6.623 1.00 0.00 O ATOM 113 CB GLU A 8 82.085 -1.750 -7.703 1.00 0.00 C ATOM 114 CG GLU A 8 80.824 -2.595 -7.875 1.00 0.00 C ATOM 115 CD GLU A 8 80.346 -2.508 -9.322 1.00 0.00 C ATOM 116 OE1 GLU A 8 80.733 -1.569 -9.997 1.00 0.00 O ATOM 117 OE2 GLU A 8 79.602 -3.384 -9.734 1.00 0.00 O ATOM 0 H GLU A 8 82.281 -2.206 -10.168 1.00 0.00 H new ATOM 0 HA GLU A 8 84.200 -1.943 -8.001 1.00 0.00 H new ATOM 0 HB2 GLU A 8 82.260 -1.558 -6.644 1.00 0.00 H new ATOM 0 HB3 GLU A 8 81.950 -0.782 -8.185 1.00 0.00 H new ATOM 0 HG2 GLU A 8 81.030 -3.632 -7.611 1.00 0.00 H new ATOM 0 HG3 GLU A 8 80.043 -2.243 -7.201 1.00 0.00 H new ATOM 124 N LYS A 9 83.286 -4.842 -8.693 1.00 0.00 N ATOM 125 CA LYS A 9 83.348 -6.268 -8.283 1.00 0.00 C ATOM 126 C LYS A 9 84.678 -6.537 -7.584 1.00 0.00 C ATOM 127 O LYS A 9 84.760 -7.325 -6.664 1.00 0.00 O ATOM 128 CB LYS A 9 83.295 -7.129 -9.541 1.00 0.00 C ATOM 129 CG LYS A 9 84.656 -7.011 -10.232 1.00 0.00 C ATOM 130 CD LYS A 9 84.575 -7.456 -11.688 1.00 0.00 C ATOM 131 CE LYS A 9 85.950 -7.252 -12.330 1.00 0.00 C ATOM 132 NZ LYS A 9 85.816 -7.250 -13.815 1.00 0.00 N ATOM 0 H LYS A 9 83.177 -4.685 -9.695 1.00 0.00 H new ATOM 0 HA LYS A 9 82.519 -6.497 -7.613 1.00 0.00 H new ATOM 0 HB2 LYS A 9 83.082 -8.167 -9.287 1.00 0.00 H new ATOM 0 HB3 LYS A 9 82.497 -6.793 -10.203 1.00 0.00 H new ATOM 0 HG2 LYS A 9 85.003 -5.979 -10.183 1.00 0.00 H new ATOM 0 HG3 LYS A 9 85.389 -7.620 -9.703 1.00 0.00 H new ATOM 0 HD2 LYS A 9 84.279 -8.503 -11.749 1.00 0.00 H new ATOM 0 HD3 LYS A 9 83.818 -6.879 -12.220 1.00 0.00 H new ATOM 0 HE2 LYS A 9 86.383 -6.310 -11.993 1.00 0.00 H new ATOM 0 HE3 LYS A 9 86.629 -8.045 -12.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 86.756 -7.145 -14.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 85.389 -8.146 -14.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 85.210 -6.457 -14.108 1.00 0.00 H new ATOM 146 N THR A 10 85.722 -5.903 -8.036 1.00 0.00 N ATOM 147 CA THR A 10 87.065 -6.133 -7.432 1.00 0.00 C ATOM 148 C THR A 10 87.125 -5.618 -5.988 1.00 0.00 C ATOM 149 O THR A 10 87.871 -6.138 -5.172 1.00 0.00 O ATOM 150 CB THR A 10 88.109 -5.434 -8.303 1.00 0.00 C ATOM 151 OG1 THR A 10 87.827 -4.045 -8.360 1.00 0.00 O ATOM 152 CG2 THR A 10 88.069 -6.025 -9.712 1.00 0.00 C ATOM 0 H THR A 10 85.704 -5.231 -8.803 1.00 0.00 H new ATOM 0 HA THR A 10 87.267 -7.203 -7.394 1.00 0.00 H new ATOM 0 HB THR A 10 89.100 -5.582 -7.875 1.00 0.00 H new ATOM 0 HG1 THR A 10 87.447 -3.753 -7.505 1.00 0.00 H new ATOM 0 HG21 THR A 10 88.812 -5.529 -10.336 1.00 0.00 H new ATOM 0 HG22 THR A 10 88.288 -7.092 -9.665 1.00 0.00 H new ATOM 0 HG23 THR A 10 87.078 -5.877 -10.141 1.00 0.00 H new ATOM 160 N TRP A 11 86.362 -4.615 -5.642 1.00 0.00 N ATOM 161 CA TRP A 11 86.420 -4.113 -4.233 1.00 0.00 C ATOM 162 C TRP A 11 85.024 -4.065 -3.589 1.00 0.00 C ATOM 163 O TRP A 11 84.903 -3.937 -2.389 1.00 0.00 O ATOM 164 CB TRP A 11 87.047 -2.714 -4.208 1.00 0.00 C ATOM 165 CG TRP A 11 86.873 -2.056 -5.538 1.00 0.00 C ATOM 166 CD1 TRP A 11 87.654 -2.274 -6.615 1.00 0.00 C ATOM 167 CD2 TRP A 11 85.882 -1.072 -5.945 1.00 0.00 C ATOM 168 NE1 TRP A 11 87.189 -1.521 -7.671 1.00 0.00 N ATOM 169 CE2 TRP A 11 86.102 -0.749 -7.303 1.00 0.00 C ATOM 170 CE3 TRP A 11 84.819 -0.444 -5.275 1.00 0.00 C ATOM 171 CZ2 TRP A 11 85.293 0.170 -7.973 1.00 0.00 C ATOM 172 CZ3 TRP A 11 84.004 0.481 -5.945 1.00 0.00 C ATOM 173 CH2 TRP A 11 84.241 0.786 -7.292 1.00 0.00 C ATOM 0 H TRP A 11 85.712 -4.128 -6.259 1.00 0.00 H new ATOM 0 HA TRP A 11 87.032 -4.806 -3.656 1.00 0.00 H new ATOM 0 HB2 TRP A 11 86.580 -2.110 -3.430 1.00 0.00 H new ATOM 0 HB3 TRP A 11 88.107 -2.785 -3.963 1.00 0.00 H new ATOM 0 HD1 TRP A 11 88.508 -2.934 -6.645 1.00 0.00 H new ATOM 0 HE1 TRP A 11 87.595 -1.532 -8.607 1.00 0.00 H new ATOM 0 HE3 TRP A 11 84.628 -0.675 -4.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 85.479 0.403 -9.011 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 83.191 0.960 -5.420 1.00 0.00 H new ATOM 0 HH2 TRP A 11 83.610 1.498 -7.804 1.00 0.00 H new ATOM 184 N ASN A 12 83.970 -4.148 -4.354 1.00 0.00 N ATOM 185 CA ASN A 12 82.610 -4.083 -3.728 1.00 0.00 C ATOM 186 C ASN A 12 81.971 -5.471 -3.628 1.00 0.00 C ATOM 187 O ASN A 12 81.709 -6.129 -4.617 1.00 0.00 O ATOM 188 CB ASN A 12 81.709 -3.162 -4.547 1.00 0.00 C ATOM 189 CG ASN A 12 80.335 -3.058 -3.884 1.00 0.00 C ATOM 190 OD1 ASN A 12 79.296 -2.748 -4.609 1.00 0.00 O flip ATOM 191 ND2 ASN A 12 80.206 -3.256 -2.693 1.00 0.00 N flip ATOM 0 H ASN A 12 83.985 -4.256 -5.368 1.00 0.00 H new ATOM 0 HA ASN A 12 82.724 -3.689 -2.718 1.00 0.00 H new ATOM 0 HB2 ASN A 12 82.160 -2.173 -4.626 1.00 0.00 H new ATOM 0 HB3 ASN A 12 81.605 -3.547 -5.561 1.00 0.00 H new ATOM 0 HD21 ASN A 12 81.018 -3.498 -2.125 1.00 0.00 H new ATOM 0 HD22 ASN A 12 79.286 -3.180 -2.260 1.00 0.00 H new ATOM 198 N VAL A 13 81.696 -5.900 -2.425 1.00 0.00 N ATOM 199 CA VAL A 13 81.047 -7.222 -2.210 1.00 0.00 C ATOM 200 C VAL A 13 79.949 -7.050 -1.164 1.00 0.00 C ATOM 201 O VAL A 13 79.737 -7.888 -0.312 1.00 0.00 O ATOM 202 CB VAL A 13 82.068 -8.229 -1.707 1.00 0.00 C ATOM 203 CG1 VAL A 13 82.437 -7.893 -0.261 1.00 0.00 C ATOM 204 CG2 VAL A 13 81.459 -9.633 -1.774 1.00 0.00 C ATOM 0 H VAL A 13 81.898 -5.381 -1.571 1.00 0.00 H new ATOM 0 HA VAL A 13 80.629 -7.586 -3.148 1.00 0.00 H new ATOM 0 HB VAL A 13 82.965 -8.192 -2.325 1.00 0.00 H new ATOM 0 HG11 VAL A 13 83.169 -8.613 0.104 1.00 0.00 H new ATOM 0 HG12 VAL A 13 82.861 -6.890 -0.217 1.00 0.00 H new ATOM 0 HG13 VAL A 13 81.544 -7.936 0.362 1.00 0.00 H new ATOM 0 HG21 VAL A 13 82.185 -10.362 -1.415 1.00 0.00 H new ATOM 0 HG22 VAL A 13 80.566 -9.672 -1.150 1.00 0.00 H new ATOM 0 HG23 VAL A 13 81.192 -9.865 -2.805 1.00 0.00 H new ATOM 214 N GLY A 14 79.272 -5.944 -1.223 1.00 0.00 N ATOM 215 CA GLY A 14 78.187 -5.650 -0.239 1.00 0.00 C ATOM 216 C GLY A 14 77.492 -6.937 0.225 1.00 0.00 C ATOM 217 O GLY A 14 76.947 -6.994 1.309 1.00 0.00 O ATOM 0 H GLY A 14 79.423 -5.216 -1.921 1.00 0.00 H new ATOM 0 HA2 GLY A 14 78.605 -5.129 0.622 1.00 0.00 H new ATOM 0 HA3 GLY A 14 77.455 -4.981 -0.691 1.00 0.00 H new ATOM 221 N SER A 15 77.494 -7.969 -0.574 1.00 0.00 N ATOM 222 CA SER A 15 76.812 -9.229 -0.149 1.00 0.00 C ATOM 223 C SER A 15 77.473 -9.782 1.119 1.00 0.00 C ATOM 224 O SER A 15 77.022 -10.761 1.682 1.00 0.00 O ATOM 225 CB SER A 15 76.900 -10.272 -1.265 1.00 0.00 C ATOM 226 OG SER A 15 78.260 -10.625 -1.479 1.00 0.00 O ATOM 0 H SER A 15 77.933 -7.997 -1.494 1.00 0.00 H new ATOM 0 HA SER A 15 75.765 -9.008 0.058 1.00 0.00 H new ATOM 0 HB2 SER A 15 76.322 -11.156 -0.997 1.00 0.00 H new ATOM 0 HB3 SER A 15 76.468 -9.875 -2.183 1.00 0.00 H new ATOM 0 HG SER A 15 78.316 -11.294 -2.193 1.00 0.00 H new ATOM 232 N SER A 16 78.539 -9.177 1.570 1.00 0.00 N ATOM 233 CA SER A 16 79.221 -9.690 2.794 1.00 0.00 C ATOM 234 C SER A 16 78.711 -8.965 4.040 1.00 0.00 C ATOM 235 O SER A 16 78.129 -7.901 3.966 1.00 0.00 O ATOM 236 CB SER A 16 80.728 -9.471 2.673 1.00 0.00 C ATOM 237 OG SER A 16 81.246 -10.320 1.655 1.00 0.00 O ATOM 0 H SER A 16 78.966 -8.353 1.146 1.00 0.00 H new ATOM 0 HA SER A 16 79.004 -10.754 2.888 1.00 0.00 H new ATOM 0 HB2 SER A 16 80.938 -8.428 2.435 1.00 0.00 H new ATOM 0 HB3 SER A 16 81.216 -9.685 3.624 1.00 0.00 H new ATOM 0 HG SER A 16 82.213 -10.181 1.573 1.00 0.00 H new ATOM 243 N ASN A 17 78.941 -9.545 5.189 1.00 0.00 N ATOM 244 CA ASN A 17 78.495 -8.918 6.464 1.00 0.00 C ATOM 245 C ASN A 17 79.732 -8.518 7.280 1.00 0.00 C ATOM 246 O ASN A 17 80.834 -8.943 6.995 1.00 0.00 O ATOM 247 CB ASN A 17 77.647 -9.922 7.252 1.00 0.00 C ATOM 248 CG ASN A 17 76.347 -10.187 6.492 1.00 0.00 C ATOM 249 OD1 ASN A 17 75.953 -9.402 5.651 1.00 0.00 O ATOM 250 ND2 ASN A 17 75.660 -11.269 6.749 1.00 0.00 N ATOM 0 H ASN A 17 79.425 -10.437 5.297 1.00 0.00 H new ATOM 0 HA ASN A 17 77.895 -8.032 6.258 1.00 0.00 H new ATOM 0 HB2 ASN A 17 78.198 -10.852 7.390 1.00 0.00 H new ATOM 0 HB3 ASN A 17 77.428 -9.531 8.246 1.00 0.00 H new ATOM 0 HD21 ASN A 17 74.793 -11.455 6.244 1.00 0.00 H new ATOM 0 HD22 ASN A 17 75.991 -11.927 7.454 1.00 0.00 H new ATOM 257 N ARG A 18 79.567 -7.691 8.278 1.00 0.00 N ATOM 258 CA ARG A 18 80.747 -7.255 9.089 1.00 0.00 C ATOM 259 C ARG A 18 81.444 -8.479 9.702 1.00 0.00 C ATOM 260 O ARG A 18 82.657 -8.562 9.715 1.00 0.00 O ATOM 261 CB ARG A 18 80.287 -6.318 10.218 1.00 0.00 C ATOM 262 CG ARG A 18 79.657 -5.023 9.661 1.00 0.00 C ATOM 263 CD ARG A 18 80.128 -4.742 8.231 1.00 0.00 C ATOM 264 NE ARG A 18 81.603 -4.568 8.230 1.00 0.00 N ATOM 265 CZ ARG A 18 82.268 -4.638 7.113 1.00 0.00 C ATOM 266 NH1 ARG A 18 81.637 -4.820 5.988 1.00 0.00 N ATOM 267 NH2 ARG A 18 83.566 -4.525 7.126 1.00 0.00 N ATOM 0 H ARG A 18 78.671 -7.299 8.568 1.00 0.00 H new ATOM 0 HA ARG A 18 81.445 -6.728 8.438 1.00 0.00 H new ATOM 0 HB2 ARG A 18 79.562 -6.834 10.847 1.00 0.00 H new ATOM 0 HB3 ARG A 18 81.137 -6.066 10.852 1.00 0.00 H new ATOM 0 HG2 ARG A 18 78.571 -5.109 9.677 1.00 0.00 H new ATOM 0 HG3 ARG A 18 79.920 -4.183 10.304 1.00 0.00 H new ATOM 0 HD2 ARG A 18 79.846 -5.565 7.574 1.00 0.00 H new ATOM 0 HD3 ARG A 18 79.643 -3.845 7.845 1.00 0.00 H new ATOM 0 HE ARG A 18 82.096 -4.393 9.106 1.00 0.00 H new ATOM 0 HH11 ARG A 18 80.621 -4.908 5.982 1.00 0.00 H new ATOM 0 HH12 ARG A 18 82.159 -4.875 5.113 1.00 0.00 H new ATOM 0 HH21 ARG A 18 84.057 -4.382 8.009 1.00 0.00 H new ATOM 0 HH22 ARG A 18 84.091 -4.579 6.253 1.00 0.00 H new ATOM 281 N ASN A 19 80.701 -9.429 10.208 1.00 0.00 N ATOM 282 CA ASN A 19 81.350 -10.633 10.808 1.00 0.00 C ATOM 283 C ASN A 19 82.148 -11.355 9.723 1.00 0.00 C ATOM 284 O ASN A 19 83.276 -11.763 9.925 1.00 0.00 O ATOM 285 CB ASN A 19 80.272 -11.569 11.362 1.00 0.00 C ATOM 286 CG ASN A 19 80.922 -12.679 12.192 1.00 0.00 C ATOM 287 OD1 ASN A 19 81.557 -13.563 11.655 1.00 0.00 O ATOM 288 ND2 ASN A 19 80.784 -12.669 13.490 1.00 0.00 N ATOM 0 H ASN A 19 79.681 -9.424 10.232 1.00 0.00 H new ATOM 0 HA ASN A 19 82.015 -10.333 11.618 1.00 0.00 H new ATOM 0 HB2 ASN A 19 79.571 -11.006 11.978 1.00 0.00 H new ATOM 0 HB3 ASN A 19 79.699 -12.004 10.543 1.00 0.00 H new ATOM 0 HD21 ASN A 19 81.210 -13.405 14.054 1.00 0.00 H new ATOM 0 HD22 ASN A 19 80.250 -11.926 13.940 1.00 0.00 H new ATOM 295 N LYS A 20 81.570 -11.501 8.564 1.00 0.00 N ATOM 296 CA LYS A 20 82.285 -12.179 7.454 1.00 0.00 C ATOM 297 C LYS A 20 83.484 -11.326 7.036 1.00 0.00 C ATOM 298 O LYS A 20 84.488 -11.828 6.566 1.00 0.00 O ATOM 299 CB LYS A 20 81.348 -12.341 6.261 1.00 0.00 C ATOM 300 CG LYS A 20 82.058 -13.153 5.183 1.00 0.00 C ATOM 301 CD LYS A 20 81.130 -13.339 3.987 1.00 0.00 C ATOM 302 CE LYS A 20 81.778 -14.303 2.995 1.00 0.00 C ATOM 303 NZ LYS A 20 80.885 -14.473 1.819 1.00 0.00 N ATOM 0 H LYS A 20 80.629 -11.178 8.339 1.00 0.00 H new ATOM 0 HA LYS A 20 82.622 -13.161 7.786 1.00 0.00 H new ATOM 0 HB2 LYS A 20 80.430 -12.843 6.568 1.00 0.00 H new ATOM 0 HB3 LYS A 20 81.062 -11.364 5.871 1.00 0.00 H new ATOM 0 HG2 LYS A 20 82.970 -12.644 4.872 1.00 0.00 H new ATOM 0 HG3 LYS A 20 82.354 -14.124 5.581 1.00 0.00 H new ATOM 0 HD2 LYS A 20 80.167 -13.729 4.316 1.00 0.00 H new ATOM 0 HD3 LYS A 20 80.938 -12.379 3.507 1.00 0.00 H new ATOM 0 HE2 LYS A 20 82.747 -13.919 2.677 1.00 0.00 H new ATOM 0 HE3 LYS A 20 81.958 -15.267 3.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 81.324 -15.129 1.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 79.970 -14.858 2.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 80.735 -13.551 1.361 1.00 0.00 H new ATOM 317 N ALA A 21 83.381 -10.035 7.195 1.00 0.00 N ATOM 318 CA ALA A 21 84.504 -9.144 6.801 1.00 0.00 C ATOM 319 C ALA A 21 85.738 -9.493 7.631 1.00 0.00 C ATOM 320 O ALA A 21 86.838 -9.533 7.127 1.00 0.00 O ATOM 321 CB ALA A 21 84.110 -7.686 7.035 1.00 0.00 C ATOM 0 H ALA A 21 82.565 -9.560 7.582 1.00 0.00 H new ATOM 0 HA ALA A 21 84.730 -9.283 5.744 1.00 0.00 H new ATOM 0 HB1 ALA A 21 84.935 -7.035 6.745 1.00 0.00 H new ATOM 0 HB2 ALA A 21 83.231 -7.446 6.437 1.00 0.00 H new ATOM 0 HB3 ALA A 21 83.882 -7.535 8.090 1.00 0.00 H new ATOM 327 N GLU A 22 85.567 -9.763 8.895 1.00 0.00 N ATOM 328 CA GLU A 22 86.739 -10.129 9.735 1.00 0.00 C ATOM 329 C GLU A 22 87.369 -11.396 9.146 1.00 0.00 C ATOM 330 O GLU A 22 88.572 -11.502 9.009 1.00 0.00 O ATOM 331 CB GLU A 22 86.276 -10.377 11.174 1.00 0.00 C ATOM 332 CG GLU A 22 85.891 -9.039 11.817 1.00 0.00 C ATOM 333 CD GLU A 22 87.131 -8.147 11.924 1.00 0.00 C ATOM 334 OE1 GLU A 22 88.215 -8.690 12.066 1.00 0.00 O ATOM 335 OE2 GLU A 22 86.976 -6.937 11.867 1.00 0.00 O ATOM 0 H GLU A 22 84.670 -9.746 9.380 1.00 0.00 H new ATOM 0 HA GLU A 22 87.475 -9.325 9.745 1.00 0.00 H new ATOM 0 HB2 GLU A 22 85.424 -11.057 11.183 1.00 0.00 H new ATOM 0 HB3 GLU A 22 87.071 -10.854 11.747 1.00 0.00 H new ATOM 0 HG2 GLU A 22 85.125 -8.544 11.220 1.00 0.00 H new ATOM 0 HG3 GLU A 22 85.465 -9.208 12.806 1.00 0.00 H new ATOM 342 N ASN A 23 86.552 -12.350 8.774 1.00 0.00 N ATOM 343 CA ASN A 23 87.083 -13.596 8.163 1.00 0.00 C ATOM 344 C ASN A 23 87.748 -13.233 6.829 1.00 0.00 C ATOM 345 O ASN A 23 88.830 -13.687 6.521 1.00 0.00 O ATOM 346 CB ASN A 23 85.936 -14.585 7.923 1.00 0.00 C ATOM 347 CG ASN A 23 85.453 -15.154 9.260 1.00 0.00 C ATOM 348 OD1 ASN A 23 86.079 -14.952 10.281 1.00 0.00 O ATOM 349 ND2 ASN A 23 84.362 -15.871 9.296 1.00 0.00 N ATOM 0 H ASN A 23 85.537 -12.314 8.870 1.00 0.00 H new ATOM 0 HA ASN A 23 87.810 -14.062 8.828 1.00 0.00 H new ATOM 0 HB2 ASN A 23 85.113 -14.085 7.412 1.00 0.00 H new ATOM 0 HB3 ASN A 23 86.271 -15.393 7.273 1.00 0.00 H new ATOM 0 HD21 ASN A 23 84.037 -16.260 10.181 1.00 0.00 H new ATOM 0 HD22 ASN A 23 83.835 -16.041 8.439 1.00 0.00 H new ATOM 356 N LEU A 24 87.114 -12.388 6.047 1.00 0.00 N ATOM 357 CA LEU A 24 87.724 -11.968 4.748 1.00 0.00 C ATOM 358 C LEU A 24 88.927 -11.071 5.034 1.00 0.00 C ATOM 359 O LEU A 24 89.931 -11.120 4.352 1.00 0.00 O ATOM 360 CB LEU A 24 86.710 -11.183 3.910 1.00 0.00 C ATOM 361 CG LEU A 24 85.636 -12.126 3.367 1.00 0.00 C ATOM 362 CD1 LEU A 24 84.572 -11.312 2.627 1.00 0.00 C ATOM 363 CD2 LEU A 24 86.281 -13.114 2.392 1.00 0.00 C ATOM 0 H LEU A 24 86.205 -11.974 6.253 1.00 0.00 H new ATOM 0 HA LEU A 24 88.030 -12.856 4.196 1.00 0.00 H new ATOM 0 HB2 LEU A 24 86.248 -10.405 4.518 1.00 0.00 H new ATOM 0 HB3 LEU A 24 87.217 -10.683 3.085 1.00 0.00 H new ATOM 0 HG LEU A 24 85.174 -12.668 4.192 1.00 0.00 H new ATOM 0 HD11 LEU A 24 83.805 -11.983 2.239 1.00 0.00 H new ATOM 0 HD12 LEU A 24 84.116 -10.599 3.314 1.00 0.00 H new ATOM 0 HD13 LEU A 24 85.035 -10.774 1.800 1.00 0.00 H new ATOM 0 HD21 LEU A 24 85.520 -13.789 2.001 1.00 0.00 H new ATOM 0 HD22 LEU A 24 86.738 -12.566 1.568 1.00 0.00 H new ATOM 0 HD23 LEU A 24 87.046 -13.691 2.912 1.00 0.00 H new ATOM 375 N LEU A 25 88.832 -10.256 6.053 1.00 0.00 N ATOM 376 CA LEU A 25 89.970 -9.359 6.404 1.00 0.00 C ATOM 377 C LEU A 25 91.033 -10.199 7.085 1.00 0.00 C ATOM 378 O LEU A 25 92.158 -9.778 7.278 1.00 0.00 O ATOM 379 CB LEU A 25 89.508 -8.279 7.388 1.00 0.00 C ATOM 380 CG LEU A 25 88.616 -7.251 6.693 1.00 0.00 C ATOM 381 CD1 LEU A 25 87.817 -6.495 7.756 1.00 0.00 C ATOM 382 CD2 LEU A 25 89.490 -6.258 5.921 1.00 0.00 C ATOM 0 H LEU A 25 88.014 -10.174 6.657 1.00 0.00 H new ATOM 0 HA LEU A 25 90.354 -8.884 5.501 1.00 0.00 H new ATOM 0 HB2 LEU A 25 88.963 -8.741 8.211 1.00 0.00 H new ATOM 0 HB3 LEU A 25 90.376 -7.780 7.820 1.00 0.00 H new ATOM 0 HG LEU A 25 87.940 -7.754 6.002 1.00 0.00 H new ATOM 0 HD11 LEU A 25 87.176 -5.758 7.273 1.00 0.00 H new ATOM 0 HD12 LEU A 25 87.202 -7.198 8.318 1.00 0.00 H new ATOM 0 HD13 LEU A 25 88.503 -5.990 8.436 1.00 0.00 H new ATOM 0 HD21 LEU A 25 88.855 -5.524 5.425 1.00 0.00 H new ATOM 0 HD22 LEU A 25 90.161 -5.749 6.613 1.00 0.00 H new ATOM 0 HD23 LEU A 25 90.077 -6.794 5.175 1.00 0.00 H new ATOM 394 N ARG A 26 90.675 -11.391 7.452 1.00 0.00 N ATOM 395 CA ARG A 26 91.637 -12.285 8.122 1.00 0.00 C ATOM 396 C ARG A 26 92.540 -12.907 7.060 1.00 0.00 C ATOM 397 O ARG A 26 92.078 -13.479 6.093 1.00 0.00 O ATOM 398 CB ARG A 26 90.850 -13.356 8.890 1.00 0.00 C ATOM 399 CG ARG A 26 91.376 -14.751 8.558 1.00 0.00 C ATOM 400 CD ARG A 26 90.693 -15.779 9.465 1.00 0.00 C ATOM 401 NE ARG A 26 91.329 -17.118 9.290 1.00 0.00 N ATOM 402 CZ ARG A 26 91.129 -18.056 10.178 1.00 0.00 C ATOM 403 NH1 ARG A 26 90.420 -17.806 11.246 1.00 0.00 N ATOM 404 NH2 ARG A 26 91.647 -19.244 10.007 1.00 0.00 N ATOM 0 H ARG A 26 89.745 -11.785 7.313 1.00 0.00 H new ATOM 0 HA ARG A 26 92.262 -11.741 8.830 1.00 0.00 H new ATOM 0 HB2 ARG A 26 90.932 -13.176 9.962 1.00 0.00 H new ATOM 0 HB3 ARG A 26 89.792 -13.290 8.635 1.00 0.00 H new ATOM 0 HG2 ARG A 26 91.181 -14.986 7.512 1.00 0.00 H new ATOM 0 HG3 ARG A 26 92.456 -14.787 8.697 1.00 0.00 H new ATOM 0 HD2 ARG A 26 90.769 -15.465 10.506 1.00 0.00 H new ATOM 0 HD3 ARG A 26 89.631 -15.838 9.226 1.00 0.00 H new ATOM 0 HE ARG A 26 91.919 -17.301 8.478 1.00 0.00 H new ATOM 0 HH11 ARG A 26 90.022 -16.878 11.388 1.00 0.00 H new ATOM 0 HH12 ARG A 26 90.265 -18.539 11.938 1.00 0.00 H new ATOM 0 HH21 ARG A 26 92.209 -19.441 9.179 1.00 0.00 H new ATOM 0 HH22 ARG A 26 91.489 -19.974 10.702 1.00 0.00 H new ATOM 418 N GLY A 27 93.824 -12.778 7.225 1.00 0.00 N ATOM 419 CA GLY A 27 94.757 -13.343 6.219 1.00 0.00 C ATOM 420 C GLY A 27 94.957 -12.332 5.091 1.00 0.00 C ATOM 421 O GLY A 27 95.544 -12.636 4.075 1.00 0.00 O ATOM 0 H GLY A 27 94.267 -12.306 8.013 1.00 0.00 H new ATOM 0 HA2 GLY A 27 95.714 -13.579 6.685 1.00 0.00 H new ATOM 0 HA3 GLY A 27 94.358 -14.276 5.820 1.00 0.00 H new ATOM 425 N LYS A 28 94.476 -11.127 5.260 1.00 0.00 N ATOM 426 CA LYS A 28 94.651 -10.106 4.191 1.00 0.00 C ATOM 427 C LYS A 28 95.826 -9.195 4.544 1.00 0.00 C ATOM 428 O LYS A 28 95.889 -8.617 5.611 1.00 0.00 O ATOM 429 CB LYS A 28 93.380 -9.265 4.050 1.00 0.00 C ATOM 430 CG LYS A 28 92.269 -10.103 3.411 1.00 0.00 C ATOM 431 CD LYS A 28 92.519 -10.237 1.905 1.00 0.00 C ATOM 432 CE LYS A 28 92.828 -11.696 1.562 1.00 0.00 C ATOM 433 NZ LYS A 28 91.601 -12.520 1.748 1.00 0.00 N ATOM 0 H LYS A 28 93.973 -10.810 6.088 1.00 0.00 H new ATOM 0 HA LYS A 28 94.848 -10.613 3.246 1.00 0.00 H new ATOM 0 HB2 LYS A 28 93.060 -8.907 5.028 1.00 0.00 H new ATOM 0 HB3 LYS A 28 93.581 -8.385 3.439 1.00 0.00 H new ATOM 0 HG2 LYS A 28 92.235 -11.090 3.872 1.00 0.00 H new ATOM 0 HG3 LYS A 28 91.301 -9.635 3.588 1.00 0.00 H new ATOM 0 HD2 LYS A 28 91.644 -9.900 1.350 1.00 0.00 H new ATOM 0 HD3 LYS A 28 93.351 -9.599 1.606 1.00 0.00 H new ATOM 0 HE2 LYS A 28 93.178 -11.773 0.533 1.00 0.00 H new ATOM 0 HE3 LYS A 28 93.630 -12.069 2.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 91.657 -13.367 1.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 91.524 -12.807 2.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 90.765 -11.962 1.483 1.00 0.00 H new ATOM 447 N ARG A 29 96.750 -9.063 3.641 1.00 0.00 N ATOM 448 CA ARG A 29 97.929 -8.191 3.894 1.00 0.00 C ATOM 449 C ARG A 29 97.526 -6.729 3.702 1.00 0.00 C ATOM 450 O ARG A 29 96.531 -6.424 3.075 1.00 0.00 O ATOM 451 CB ARG A 29 99.052 -8.542 2.915 1.00 0.00 C ATOM 452 CG ARG A 29 99.551 -9.960 3.193 1.00 0.00 C ATOM 453 CD ARG A 29 99.542 -10.768 1.892 1.00 0.00 C ATOM 454 NE ARG A 29 99.696 -12.212 2.209 1.00 0.00 N ATOM 455 CZ ARG A 29 99.479 -13.108 1.286 1.00 0.00 C ATOM 456 NH1 ARG A 29 99.120 -12.734 0.089 1.00 0.00 N ATOM 457 NH2 ARG A 29 99.621 -14.375 1.562 1.00 0.00 N ATOM 0 H ARG A 29 96.741 -9.524 2.731 1.00 0.00 H new ATOM 0 HA ARG A 29 98.281 -8.345 4.914 1.00 0.00 H new ATOM 0 HB2 ARG A 29 98.690 -8.468 1.889 1.00 0.00 H new ATOM 0 HB3 ARG A 29 99.872 -7.831 3.016 1.00 0.00 H new ATOM 0 HG2 ARG A 29 100.559 -9.928 3.607 1.00 0.00 H new ATOM 0 HG3 ARG A 29 98.916 -10.441 3.937 1.00 0.00 H new ATOM 0 HD2 ARG A 29 98.610 -10.600 1.353 1.00 0.00 H new ATOM 0 HD3 ARG A 29 100.351 -10.439 1.240 1.00 0.00 H new ATOM 0 HE ARG A 29 99.971 -12.502 3.147 1.00 0.00 H new ATOM 0 HH11 ARG A 29 99.009 -11.743 -0.124 1.00 0.00 H new ATOM 0 HH12 ARG A 29 98.950 -13.433 -0.634 1.00 0.00 H new ATOM 0 HH21 ARG A 29 99.901 -14.665 2.499 1.00 0.00 H new ATOM 0 HH22 ARG A 29 99.451 -15.076 0.841 1.00 0.00 H new ATOM 471 N ASP A 30 98.294 -5.829 4.242 1.00 0.00 N ATOM 472 CA ASP A 30 97.977 -4.379 4.111 1.00 0.00 C ATOM 473 C ASP A 30 97.802 -3.996 2.638 1.00 0.00 C ATOM 474 O ASP A 30 98.516 -4.461 1.772 1.00 0.00 O ATOM 475 CB ASP A 30 99.130 -3.573 4.710 1.00 0.00 C ATOM 476 CG ASP A 30 98.782 -2.087 4.691 1.00 0.00 C ATOM 477 OD1 ASP A 30 97.731 -1.754 4.173 1.00 0.00 O ATOM 478 OD2 ASP A 30 99.571 -1.309 5.196 1.00 0.00 O ATOM 0 H ASP A 30 99.138 -6.037 4.775 1.00 0.00 H new ATOM 0 HA ASP A 30 97.046 -4.165 4.637 1.00 0.00 H new ATOM 0 HB2 ASP A 30 99.322 -3.899 5.732 1.00 0.00 H new ATOM 0 HB3 ASP A 30 100.044 -3.750 4.143 1.00 0.00 H new ATOM 483 N GLY A 31 96.850 -3.144 2.354 1.00 0.00 N ATOM 484 CA GLY A 31 96.615 -2.720 0.945 1.00 0.00 C ATOM 485 C GLY A 31 95.296 -3.307 0.446 1.00 0.00 C ATOM 486 O GLY A 31 94.639 -2.743 -0.406 1.00 0.00 O ATOM 0 H GLY A 31 96.224 -2.724 3.041 1.00 0.00 H new ATOM 0 HA2 GLY A 31 96.587 -1.632 0.882 1.00 0.00 H new ATOM 0 HA3 GLY A 31 97.436 -3.055 0.312 1.00 0.00 H new ATOM 490 N THR A 32 94.901 -4.433 0.969 1.00 0.00 N ATOM 491 CA THR A 32 93.626 -5.054 0.523 1.00 0.00 C ATOM 492 C THR A 32 92.448 -4.436 1.280 1.00 0.00 C ATOM 493 O THR A 32 92.386 -4.495 2.493 1.00 0.00 O ATOM 494 CB THR A 32 93.679 -6.551 0.806 1.00 0.00 C ATOM 495 OG1 THR A 32 94.804 -7.117 0.143 1.00 0.00 O ATOM 496 CG2 THR A 32 92.396 -7.212 0.301 1.00 0.00 C ATOM 0 H THR A 32 95.408 -4.950 1.687 1.00 0.00 H new ATOM 0 HA THR A 32 93.492 -4.879 -0.545 1.00 0.00 H new ATOM 0 HB THR A 32 93.770 -6.717 1.879 1.00 0.00 H new ATOM 0 HG1 THR A 32 94.841 -8.079 0.325 1.00 0.00 H new ATOM 0 HG21 THR A 32 92.434 -8.282 0.503 1.00 0.00 H new ATOM 0 HG22 THR A 32 91.537 -6.777 0.812 1.00 0.00 H new ATOM 0 HG23 THR A 32 92.301 -7.049 -0.773 1.00 0.00 H new ATOM 504 N PHE A 33 91.502 -3.846 0.588 1.00 0.00 N ATOM 505 CA PHE A 33 90.352 -3.247 1.316 1.00 0.00 C ATOM 506 C PHE A 33 89.018 -3.631 0.663 1.00 0.00 C ATOM 507 O PHE A 33 88.950 -3.998 -0.494 1.00 0.00 O ATOM 508 CB PHE A 33 90.508 -1.731 1.370 1.00 0.00 C ATOM 509 CG PHE A 33 89.817 -1.060 0.211 1.00 0.00 C ATOM 510 CD1 PHE A 33 90.241 -1.278 -1.103 1.00 0.00 C ATOM 511 CD2 PHE A 33 88.765 -0.176 0.465 1.00 0.00 C ATOM 512 CE1 PHE A 33 89.602 -0.610 -2.156 1.00 0.00 C ATOM 513 CE2 PHE A 33 88.131 0.483 -0.591 1.00 0.00 C ATOM 514 CZ PHE A 33 88.549 0.266 -1.896 1.00 0.00 C ATOM 0 H PHE A 33 91.480 -3.757 -0.428 1.00 0.00 H new ATOM 0 HA PHE A 33 90.345 -3.641 2.332 1.00 0.00 H new ATOM 0 HB2 PHE A 33 90.096 -1.356 2.307 1.00 0.00 H new ATOM 0 HB3 PHE A 33 91.567 -1.473 1.362 1.00 0.00 H new ATOM 0 HD1 PHE A 33 91.056 -1.957 -1.305 1.00 0.00 H new ATOM 0 HD2 PHE A 33 88.441 -0.002 1.480 1.00 0.00 H new ATOM 0 HE1 PHE A 33 89.926 -0.774 -3.173 1.00 0.00 H new ATOM 0 HE2 PHE A 33 87.315 1.162 -0.391 1.00 0.00 H new ATOM 0 HZ PHE A 33 88.058 0.776 -2.711 1.00 0.00 H new ATOM 524 N LEU A 34 87.964 -3.586 1.440 1.00 0.00 N ATOM 525 CA LEU A 34 86.608 -3.983 0.949 1.00 0.00 C ATOM 526 C LEU A 34 85.677 -2.765 0.854 1.00 0.00 C ATOM 527 O LEU A 34 85.879 -1.756 1.498 1.00 0.00 O ATOM 528 CB LEU A 34 85.965 -4.948 1.962 1.00 0.00 C ATOM 529 CG LEU A 34 86.735 -6.275 2.095 1.00 0.00 C ATOM 530 CD1 LEU A 34 86.511 -7.128 0.853 1.00 0.00 C ATOM 531 CD2 LEU A 34 88.235 -6.034 2.275 1.00 0.00 C ATOM 0 H LEU A 34 87.987 -3.284 2.414 1.00 0.00 H new ATOM 0 HA LEU A 34 86.732 -4.441 -0.032 1.00 0.00 H new ATOM 0 HB2 LEU A 34 85.915 -4.463 2.937 1.00 0.00 H new ATOM 0 HB3 LEU A 34 84.940 -5.157 1.657 1.00 0.00 H new ATOM 0 HG LEU A 34 86.360 -6.792 2.978 1.00 0.00 H new ATOM 0 HD11 LEU A 34 87.058 -8.066 0.952 1.00 0.00 H new ATOM 0 HD12 LEU A 34 85.447 -7.338 0.743 1.00 0.00 H new ATOM 0 HD13 LEU A 34 86.867 -6.591 -0.026 1.00 0.00 H new ATOM 0 HD21 LEU A 34 88.749 -6.991 2.366 1.00 0.00 H new ATOM 0 HD22 LEU A 34 88.623 -5.494 1.411 1.00 0.00 H new ATOM 0 HD23 LEU A 34 88.403 -5.445 3.177 1.00 0.00 H new ATOM 543 N VAL A 35 84.627 -2.891 0.081 1.00 0.00 N ATOM 544 CA VAL A 35 83.623 -1.791 -0.042 1.00 0.00 C ATOM 545 C VAL A 35 82.231 -2.410 0.119 1.00 0.00 C ATOM 546 O VAL A 35 81.798 -3.194 -0.704 1.00 0.00 O ATOM 547 CB VAL A 35 83.734 -1.117 -1.414 1.00 0.00 C ATOM 548 CG1 VAL A 35 82.493 -0.257 -1.652 1.00 0.00 C ATOM 549 CG2 VAL A 35 84.983 -0.227 -1.444 1.00 0.00 C ATOM 0 H VAL A 35 84.421 -3.720 -0.477 1.00 0.00 H new ATOM 0 HA VAL A 35 83.801 -1.035 0.722 1.00 0.00 H new ATOM 0 HB VAL A 35 83.810 -1.877 -2.192 1.00 0.00 H new ATOM 0 HG11 VAL A 35 82.566 0.225 -2.627 1.00 0.00 H new ATOM 0 HG12 VAL A 35 81.603 -0.886 -1.624 1.00 0.00 H new ATOM 0 HG13 VAL A 35 82.423 0.504 -0.875 1.00 0.00 H new ATOM 0 HG21 VAL A 35 85.064 0.253 -2.419 1.00 0.00 H new ATOM 0 HG22 VAL A 35 84.905 0.536 -0.669 1.00 0.00 H new ATOM 0 HG23 VAL A 35 85.869 -0.837 -1.265 1.00 0.00 H new ATOM 559 N ARG A 36 81.533 -2.096 1.182 1.00 0.00 N ATOM 560 CA ARG A 36 80.187 -2.708 1.393 1.00 0.00 C ATOM 561 C ARG A 36 79.204 -1.652 1.869 1.00 0.00 C ATOM 562 O ARG A 36 79.570 -0.532 2.165 1.00 0.00 O ATOM 563 CB ARG A 36 80.296 -3.803 2.455 1.00 0.00 C ATOM 564 CG ARG A 36 81.147 -4.942 1.903 1.00 0.00 C ATOM 565 CD ARG A 36 81.874 -5.652 3.044 1.00 0.00 C ATOM 566 NE ARG A 36 82.643 -6.801 2.490 1.00 0.00 N ATOM 567 CZ ARG A 36 83.570 -7.377 3.204 1.00 0.00 C ATOM 568 NH1 ARG A 36 83.842 -6.936 4.402 1.00 0.00 N ATOM 569 NH2 ARG A 36 84.231 -8.390 2.717 1.00 0.00 N ATOM 0 H ARG A 36 81.835 -1.446 1.908 1.00 0.00 H new ATOM 0 HA ARG A 36 79.834 -3.130 0.452 1.00 0.00 H new ATOM 0 HB2 ARG A 36 80.745 -3.403 3.364 1.00 0.00 H new ATOM 0 HB3 ARG A 36 79.305 -4.168 2.723 1.00 0.00 H new ATOM 0 HG2 ARG A 36 80.517 -5.651 1.366 1.00 0.00 H new ATOM 0 HG3 ARG A 36 81.870 -4.552 1.187 1.00 0.00 H new ATOM 0 HD2 ARG A 36 82.546 -4.959 3.551 1.00 0.00 H new ATOM 0 HD3 ARG A 36 81.157 -6.002 3.787 1.00 0.00 H new ATOM 0 HE ARG A 36 82.444 -7.139 1.548 1.00 0.00 H new ATOM 0 HH11 ARG A 36 83.329 -6.140 4.781 1.00 0.00 H new ATOM 0 HH12 ARG A 36 84.567 -7.388 4.959 1.00 0.00 H new ATOM 0 HH21 ARG A 36 84.023 -8.731 1.779 1.00 0.00 H new ATOM 0 HH22 ARG A 36 84.956 -8.841 3.274 1.00 0.00 H new ATOM 583 N GLU A 37 77.952 -1.996 1.965 1.00 0.00 N ATOM 584 CA GLU A 37 76.968 -1.012 2.440 1.00 0.00 C ATOM 585 C GLU A 37 76.946 -1.051 3.956 1.00 0.00 C ATOM 586 O GLU A 37 77.521 -1.929 4.569 1.00 0.00 O ATOM 587 CB GLU A 37 75.584 -1.388 1.913 1.00 0.00 C ATOM 588 CG GLU A 37 75.316 -2.860 2.232 1.00 0.00 C ATOM 589 CD GLU A 37 73.815 -3.139 2.151 1.00 0.00 C ATOM 590 OE1 GLU A 37 73.077 -2.219 1.835 1.00 0.00 O ATOM 591 OE2 GLU A 37 73.429 -4.265 2.412 1.00 0.00 O ATOM 0 H GLU A 37 77.577 -2.916 1.734 1.00 0.00 H new ATOM 0 HA GLU A 37 77.234 -0.015 2.089 1.00 0.00 H new ATOM 0 HB2 GLU A 37 74.822 -0.758 2.372 1.00 0.00 H new ATOM 0 HB3 GLU A 37 75.532 -1.220 0.837 1.00 0.00 H new ATOM 0 HG2 GLU A 37 75.853 -3.498 1.530 1.00 0.00 H new ATOM 0 HG3 GLU A 37 75.687 -3.100 3.228 1.00 0.00 H new ATOM 677 N TYR A 44 77.475 3.691 3.598 1.00 0.00 N ATOM 678 CA TYR A 44 78.470 2.736 3.039 1.00 0.00 C ATOM 679 C TYR A 44 79.780 2.821 3.823 1.00 0.00 C ATOM 680 O TYR A 44 80.137 3.861 4.339 1.00 0.00 O ATOM 681 CB TYR A 44 78.731 3.114 1.583 1.00 0.00 C ATOM 682 CG TYR A 44 77.475 2.906 0.779 1.00 0.00 C ATOM 683 CD1 TYR A 44 76.502 3.912 0.724 1.00 0.00 C ATOM 684 CD2 TYR A 44 77.281 1.705 0.096 1.00 0.00 C ATOM 685 CE1 TYR A 44 75.332 3.713 -0.020 1.00 0.00 C ATOM 686 CE2 TYR A 44 76.111 1.504 -0.647 1.00 0.00 C ATOM 687 CZ TYR A 44 75.137 2.508 -0.705 1.00 0.00 C ATOM 688 OH TYR A 44 73.985 2.309 -1.436 1.00 0.00 O ATOM 0 HA TYR A 44 78.084 1.719 3.109 1.00 0.00 H new ATOM 0 HB2 TYR A 44 79.050 4.154 1.517 1.00 0.00 H new ATOM 0 HB3 TYR A 44 79.540 2.507 1.178 1.00 0.00 H new ATOM 0 HD1 TYR A 44 76.654 4.840 1.255 1.00 0.00 H new ATOM 0 HD2 TYR A 44 78.033 0.931 0.140 1.00 0.00 H new ATOM 0 HE1 TYR A 44 74.581 4.488 -0.065 1.00 0.00 H new ATOM 0 HE2 TYR A 44 75.960 0.574 -1.175 1.00 0.00 H new ATOM 0 HH TYR A 44 74.009 1.421 -1.850 1.00 0.00 H new ATOM 698 N ALA A 45 80.505 1.738 3.909 1.00 0.00 N ATOM 699 CA ALA A 45 81.796 1.760 4.649 1.00 0.00 C ATOM 700 C ALA A 45 82.771 0.806 3.957 1.00 0.00 C ATOM 701 O ALA A 45 82.404 -0.281 3.559 1.00 0.00 O ATOM 702 CB ALA A 45 81.568 1.313 6.098 1.00 0.00 C ATOM 0 H ALA A 45 80.257 0.838 3.497 1.00 0.00 H new ATOM 0 HA ALA A 45 82.207 2.769 4.654 1.00 0.00 H new ATOM 0 HB1 ALA A 45 82.515 1.330 6.637 1.00 0.00 H new ATOM 0 HB2 ALA A 45 80.863 1.990 6.581 1.00 0.00 H new ATOM 0 HB3 ALA A 45 81.164 0.301 6.107 1.00 0.00 H new ATOM 708 N CYS A 46 84.008 1.194 3.802 1.00 0.00 N ATOM 709 CA CYS A 46 84.980 0.293 3.126 1.00 0.00 C ATOM 710 C CYS A 46 85.937 -0.271 4.169 1.00 0.00 C ATOM 711 O CYS A 46 86.473 0.442 4.993 1.00 0.00 O ATOM 712 CB CYS A 46 85.755 1.070 2.053 1.00 0.00 C ATOM 713 SG CYS A 46 84.578 1.950 0.997 1.00 0.00 S ATOM 0 H CYS A 46 84.384 2.090 4.112 1.00 0.00 H new ATOM 0 HA CYS A 46 84.450 -0.526 2.640 1.00 0.00 H new ATOM 0 HB2 CYS A 46 86.441 1.776 2.521 1.00 0.00 H new ATOM 0 HB3 CYS A 46 86.359 0.387 1.456 1.00 0.00 H new ATOM 0 HG CYS A 46 85.225 2.614 0.085 1.00 0.00 H new ATOM 719 N SER A 47 86.133 -1.557 4.155 1.00 0.00 N ATOM 720 CA SER A 47 87.037 -2.183 5.163 1.00 0.00 C ATOM 721 C SER A 47 88.469 -2.234 4.628 1.00 0.00 C ATOM 722 O SER A 47 88.709 -2.635 3.509 1.00 0.00 O ATOM 723 CB SER A 47 86.554 -3.599 5.476 1.00 0.00 C ATOM 724 OG SER A 47 87.257 -4.530 4.665 1.00 0.00 O ATOM 0 H SER A 47 85.708 -2.204 3.491 1.00 0.00 H new ATOM 0 HA SER A 47 87.021 -1.584 6.073 1.00 0.00 H new ATOM 0 HB2 SER A 47 86.715 -3.825 6.530 1.00 0.00 H new ATOM 0 HB3 SER A 47 85.482 -3.678 5.293 1.00 0.00 H new ATOM 0 HG SER A 47 86.770 -5.380 4.646 1.00 0.00 H new ATOM 730 N VAL A 48 89.429 -1.833 5.418 1.00 0.00 N ATOM 731 CA VAL A 48 90.837 -1.868 4.935 1.00 0.00 C ATOM 732 C VAL A 48 91.748 -2.500 5.983 1.00 0.00 C ATOM 733 O VAL A 48 91.454 -2.514 7.161 1.00 0.00 O ATOM 734 CB VAL A 48 91.324 -0.454 4.647 1.00 0.00 C ATOM 735 CG1 VAL A 48 91.079 0.429 5.869 1.00 0.00 C ATOM 736 CG2 VAL A 48 92.821 -0.492 4.335 1.00 0.00 C ATOM 0 H VAL A 48 89.300 -1.486 6.368 1.00 0.00 H new ATOM 0 HA VAL A 48 90.869 -2.464 4.023 1.00 0.00 H new ATOM 0 HB VAL A 48 90.782 -0.046 3.794 1.00 0.00 H new ATOM 0 HG11 VAL A 48 91.428 1.441 5.663 1.00 0.00 H new ATOM 0 HG12 VAL A 48 90.013 0.451 6.094 1.00 0.00 H new ATOM 0 HG13 VAL A 48 91.622 0.026 6.724 1.00 0.00 H new ATOM 0 HG21 VAL A 48 93.175 0.518 4.128 1.00 0.00 H new ATOM 0 HG22 VAL A 48 93.361 -0.898 5.191 1.00 0.00 H new ATOM 0 HG23 VAL A 48 92.995 -1.123 3.464 1.00 0.00 H new ATOM 746 N VAL A 49 92.864 -3.010 5.549 1.00 0.00 N ATOM 747 CA VAL A 49 93.827 -3.637 6.500 1.00 0.00 C ATOM 748 C VAL A 49 95.151 -2.866 6.464 1.00 0.00 C ATOM 749 O VAL A 49 95.547 -2.353 5.437 1.00 0.00 O ATOM 750 CB VAL A 49 94.080 -5.093 6.105 1.00 0.00 C ATOM 751 CG1 VAL A 49 95.048 -5.733 7.106 1.00 0.00 C ATOM 752 CG2 VAL A 49 92.758 -5.861 6.108 1.00 0.00 C ATOM 0 H VAL A 49 93.154 -3.021 4.571 1.00 0.00 H new ATOM 0 HA VAL A 49 93.407 -3.606 7.505 1.00 0.00 H new ATOM 0 HB VAL A 49 94.516 -5.128 5.106 1.00 0.00 H new ATOM 0 HG11 VAL A 49 95.229 -6.771 6.825 1.00 0.00 H new ATOM 0 HG12 VAL A 49 95.991 -5.186 7.101 1.00 0.00 H new ATOM 0 HG13 VAL A 49 94.614 -5.698 8.105 1.00 0.00 H new ATOM 0 HG21 VAL A 49 92.939 -6.898 5.826 1.00 0.00 H new ATOM 0 HG22 VAL A 49 92.320 -5.827 7.105 1.00 0.00 H new ATOM 0 HG23 VAL A 49 92.071 -5.406 5.394 1.00 0.00 H new ATOM 762 N VAL A 50 95.838 -2.777 7.570 1.00 0.00 N ATOM 763 CA VAL A 50 97.128 -2.032 7.578 1.00 0.00 C ATOM 764 C VAL A 50 98.270 -2.955 7.996 1.00 0.00 C ATOM 765 O VAL A 50 98.063 -4.001 8.578 1.00 0.00 O ATOM 766 CB VAL A 50 97.048 -0.860 8.554 1.00 0.00 C ATOM 767 CG1 VAL A 50 98.466 -0.402 8.909 1.00 0.00 C ATOM 768 CG2 VAL A 50 96.290 0.299 7.898 1.00 0.00 C ATOM 0 H VAL A 50 95.564 -3.185 8.463 1.00 0.00 H new ATOM 0 HA VAL A 50 97.317 -1.658 6.572 1.00 0.00 H new ATOM 0 HB VAL A 50 96.525 -1.172 9.458 1.00 0.00 H new ATOM 0 HG11 VAL A 50 98.414 0.435 9.606 1.00 0.00 H new ATOM 0 HG12 VAL A 50 99.009 -1.226 9.371 1.00 0.00 H new ATOM 0 HG13 VAL A 50 98.985 -0.088 8.003 1.00 0.00 H new ATOM 0 HG21 VAL A 50 96.232 1.136 8.594 1.00 0.00 H new ATOM 0 HG22 VAL A 50 96.815 0.613 6.996 1.00 0.00 H new ATOM 0 HG23 VAL A 50 95.283 -0.026 7.637 1.00 0.00 H new ATOM 778 N ASP A 51 99.476 -2.567 7.694 1.00 0.00 N ATOM 779 CA ASP A 51 100.652 -3.404 8.051 1.00 0.00 C ATOM 780 C ASP A 51 100.695 -3.640 9.558 1.00 0.00 C ATOM 781 O ASP A 51 101.645 -4.192 10.076 1.00 0.00 O ATOM 782 CB ASP A 51 101.933 -2.683 7.625 1.00 0.00 C ATOM 783 CG ASP A 51 102.157 -1.463 8.523 1.00 0.00 C ATOM 784 OD1 ASP A 51 101.332 -1.232 9.392 1.00 0.00 O ATOM 785 OD2 ASP A 51 103.152 -0.783 8.329 1.00 0.00 O ATOM 0 H ASP A 51 99.699 -1.697 7.210 1.00 0.00 H new ATOM 0 HA ASP A 51 100.571 -4.363 7.539 1.00 0.00 H new ATOM 0 HB2 ASP A 51 102.784 -3.360 7.695 1.00 0.00 H new ATOM 0 HB3 ASP A 51 101.858 -2.372 6.583 1.00 0.00 H new ATOM 790 N GLY A 52 99.690 -3.220 10.274 1.00 0.00 N ATOM 791 CA GLY A 52 99.720 -3.425 11.751 1.00 0.00 C ATOM 792 C GLY A 52 98.311 -3.597 12.344 1.00 0.00 C ATOM 793 O GLY A 52 98.166 -4.084 13.447 1.00 0.00 O ATOM 0 H GLY A 52 98.861 -2.751 9.909 1.00 0.00 H new ATOM 0 HA2 GLY A 52 100.319 -4.306 11.981 1.00 0.00 H new ATOM 0 HA3 GLY A 52 100.210 -2.574 12.224 1.00 0.00 H new ATOM 797 N GLU A 53 97.272 -3.191 11.663 1.00 0.00 N ATOM 798 CA GLU A 53 95.908 -3.337 12.267 1.00 0.00 C ATOM 799 C GLU A 53 94.824 -3.373 11.186 1.00 0.00 C ATOM 800 O GLU A 53 95.072 -3.081 10.038 1.00 0.00 O ATOM 801 CB GLU A 53 95.653 -2.146 13.195 1.00 0.00 C ATOM 802 CG GLU A 53 94.205 -2.172 13.677 1.00 0.00 C ATOM 803 CD GLU A 53 94.039 -1.183 14.831 1.00 0.00 C ATOM 804 OE1 GLU A 53 95.038 -0.629 15.258 1.00 0.00 O ATOM 805 OE2 GLU A 53 92.915 -0.995 15.271 1.00 0.00 O ATOM 0 H GLU A 53 97.302 -2.772 10.733 1.00 0.00 H new ATOM 0 HA GLU A 53 95.869 -4.275 12.821 1.00 0.00 H new ATOM 0 HB2 GLU A 53 96.331 -2.185 14.047 1.00 0.00 H new ATOM 0 HB3 GLU A 53 95.855 -1.213 12.669 1.00 0.00 H new ATOM 0 HG2 GLU A 53 93.533 -1.911 12.860 1.00 0.00 H new ATOM 0 HG3 GLU A 53 93.936 -3.177 14.002 1.00 0.00 H new ATOM 812 N VAL A 54 93.611 -3.718 11.558 1.00 0.00 N ATOM 813 CA VAL A 54 92.492 -3.753 10.566 1.00 0.00 C ATOM 814 C VAL A 54 91.412 -2.749 10.988 1.00 0.00 C ATOM 815 O VAL A 54 90.952 -2.766 12.113 1.00 0.00 O ATOM 816 CB VAL A 54 91.880 -5.155 10.513 1.00 0.00 C ATOM 817 CG1 VAL A 54 90.685 -5.149 9.555 1.00 0.00 C ATOM 818 CG2 VAL A 54 92.929 -6.152 10.018 1.00 0.00 C ATOM 0 H VAL A 54 93.350 -3.977 12.509 1.00 0.00 H new ATOM 0 HA VAL A 54 92.880 -3.494 9.581 1.00 0.00 H new ATOM 0 HB VAL A 54 91.547 -5.447 11.509 1.00 0.00 H new ATOM 0 HG11 VAL A 54 90.246 -6.146 9.514 1.00 0.00 H new ATOM 0 HG12 VAL A 54 89.938 -4.438 9.909 1.00 0.00 H new ATOM 0 HG13 VAL A 54 91.019 -4.859 8.559 1.00 0.00 H new ATOM 0 HG21 VAL A 54 92.493 -7.150 9.980 1.00 0.00 H new ATOM 0 HG22 VAL A 54 93.263 -5.864 9.021 1.00 0.00 H new ATOM 0 HG23 VAL A 54 93.780 -6.153 10.699 1.00 0.00 H new ATOM 828 N LYS A 55 90.994 -1.875 10.106 1.00 0.00 N ATOM 829 CA LYS A 55 89.938 -0.884 10.495 1.00 0.00 C ATOM 830 C LYS A 55 88.725 -1.008 9.575 1.00 0.00 C ATOM 831 O LYS A 55 88.696 -1.802 8.656 1.00 0.00 O ATOM 832 CB LYS A 55 90.477 0.543 10.377 1.00 0.00 C ATOM 833 CG LYS A 55 91.956 0.560 10.719 1.00 0.00 C ATOM 834 CD LYS A 55 92.746 0.182 9.466 1.00 0.00 C ATOM 835 CE LYS A 55 93.905 -0.732 9.837 1.00 0.00 C ATOM 836 NZ LYS A 55 94.253 -1.570 8.660 1.00 0.00 N ATOM 0 H LYS A 55 91.331 -1.803 9.146 1.00 0.00 H new ATOM 0 HA LYS A 55 89.650 -1.093 11.525 1.00 0.00 H new ATOM 0 HB2 LYS A 55 90.323 0.918 9.365 1.00 0.00 H new ATOM 0 HB3 LYS A 55 89.931 1.205 11.049 1.00 0.00 H new ATOM 0 HG2 LYS A 55 92.253 1.548 11.070 1.00 0.00 H new ATOM 0 HG3 LYS A 55 92.167 -0.142 11.526 1.00 0.00 H new ATOM 0 HD2 LYS A 55 92.092 -0.318 8.751 1.00 0.00 H new ATOM 0 HD3 LYS A 55 93.123 1.081 8.979 1.00 0.00 H new ATOM 0 HE2 LYS A 55 94.767 -0.141 10.147 1.00 0.00 H new ATOM 0 HE3 LYS A 55 93.631 -1.364 10.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 94.740 -2.432 8.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 93.385 -1.831 8.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 94.878 -1.034 8.025 1.00 0.00 H new ATOM 850 N HIS A 56 87.734 -0.198 9.816 1.00 0.00 N ATOM 851 CA HIS A 56 86.513 -0.212 8.970 1.00 0.00 C ATOM 852 C HIS A 56 86.240 1.214 8.495 1.00 0.00 C ATOM 853 O HIS A 56 85.443 1.926 9.073 1.00 0.00 O ATOM 854 CB HIS A 56 85.318 -0.704 9.792 1.00 0.00 C ATOM 855 CG HIS A 56 85.369 -2.199 9.939 1.00 0.00 C ATOM 856 ND1 HIS A 56 85.287 -3.209 9.016 1.00 0.00 N flip ATOM 857 CD2 HIS A 56 85.490 -2.820 11.171 1.00 0.00 C flip ATOM 858 CE1 HIS A 56 85.353 -4.440 9.661 1.00 0.00 C flip ATOM 859 NE2 HIS A 56 85.473 -4.149 10.957 1.00 0.00 N flip ATOM 0 H HIS A 56 87.720 0.483 10.575 1.00 0.00 H new ATOM 0 HA HIS A 56 86.660 -0.877 8.119 1.00 0.00 H new ATOM 0 HB2 HIS A 56 85.326 -0.234 10.776 1.00 0.00 H new ATOM 0 HB3 HIS A 56 84.388 -0.411 9.306 1.00 0.00 H new ATOM 0 HD2 HIS A 56 85.581 -2.328 12.128 1.00 0.00 H new ATOM 0 HE1 HIS A 56 85.315 -5.420 9.209 1.00 0.00 H new ATOM 0 HE2 HIS A 56 85.543 -4.848 11.696 1.00 0.00 H new ATOM 867 N CYS A 57 86.897 1.647 7.455 1.00 0.00 N ATOM 868 CA CYS A 57 86.667 3.036 6.971 1.00 0.00 C ATOM 869 C CYS A 57 85.183 3.216 6.681 1.00 0.00 C ATOM 870 O CYS A 57 84.540 2.366 6.098 1.00 0.00 O ATOM 871 CB CYS A 57 87.484 3.285 5.702 1.00 0.00 C ATOM 872 SG CYS A 57 89.248 3.156 6.089 1.00 0.00 S ATOM 0 H CYS A 57 87.578 1.104 6.923 1.00 0.00 H new ATOM 0 HA CYS A 57 86.980 3.750 7.732 1.00 0.00 H new ATOM 0 HB2 CYS A 57 87.215 2.560 4.934 1.00 0.00 H new ATOM 0 HB3 CYS A 57 87.260 4.273 5.300 1.00 0.00 H new ATOM 0 HG CYS A 57 89.945 3.365 5.012 1.00 0.00 H new ATOM 878 N VAL A 58 84.632 4.309 7.110 1.00 0.00 N ATOM 879 CA VAL A 58 83.186 4.545 6.896 1.00 0.00 C ATOM 880 C VAL A 58 82.971 5.560 5.768 1.00 0.00 C ATOM 881 O VAL A 58 83.595 6.601 5.723 1.00 0.00 O ATOM 882 CB VAL A 58 82.590 5.074 8.198 1.00 0.00 C ATOM 883 CG1 VAL A 58 83.051 6.513 8.431 1.00 0.00 C ATOM 884 CG2 VAL A 58 81.064 5.026 8.122 1.00 0.00 C ATOM 0 H VAL A 58 85.125 5.054 7.603 1.00 0.00 H new ATOM 0 HA VAL A 58 82.697 3.614 6.609 1.00 0.00 H new ATOM 0 HB VAL A 58 82.928 4.452 9.027 1.00 0.00 H new ATOM 0 HG11 VAL A 58 82.623 6.886 9.361 1.00 0.00 H new ATOM 0 HG12 VAL A 58 84.139 6.541 8.495 1.00 0.00 H new ATOM 0 HG13 VAL A 58 82.720 7.140 7.603 1.00 0.00 H new ATOM 0 HG21 VAL A 58 80.641 5.404 9.053 1.00 0.00 H new ATOM 0 HG22 VAL A 58 80.722 5.643 7.291 1.00 0.00 H new ATOM 0 HG23 VAL A 58 80.740 3.997 7.968 1.00 0.00 H new ATOM 894 N ILE A 59 82.078 5.267 4.866 1.00 0.00 N ATOM 895 CA ILE A 59 81.802 6.213 3.754 1.00 0.00 C ATOM 896 C ILE A 59 80.470 6.907 4.047 1.00 0.00 C ATOM 897 O ILE A 59 79.457 6.265 4.247 1.00 0.00 O ATOM 898 CB ILE A 59 81.719 5.441 2.429 1.00 0.00 C ATOM 899 CG1 ILE A 59 83.008 4.633 2.210 1.00 0.00 C ATOM 900 CG2 ILE A 59 81.538 6.418 1.269 1.00 0.00 C ATOM 901 CD1 ILE A 59 84.236 5.521 2.425 1.00 0.00 C ATOM 0 H ILE A 59 81.526 4.409 4.852 1.00 0.00 H new ATOM 0 HA ILE A 59 82.598 6.952 3.671 1.00 0.00 H new ATOM 0 HB ILE A 59 80.867 4.762 2.472 1.00 0.00 H new ATOM 0 HG12 ILE A 59 83.037 3.788 2.898 1.00 0.00 H new ATOM 0 HG13 ILE A 59 83.020 4.222 1.200 1.00 0.00 H new ATOM 0 HG21 ILE A 59 81.480 5.864 0.332 1.00 0.00 H new ATOM 0 HG22 ILE A 59 80.619 6.986 1.412 1.00 0.00 H new ATOM 0 HG23 ILE A 59 82.386 7.102 1.234 1.00 0.00 H new ATOM 0 HD11 ILE A 59 85.141 4.935 2.266 1.00 0.00 H new ATOM 0 HD12 ILE A 59 84.213 6.351 1.719 1.00 0.00 H new ATOM 0 HD13 ILE A 59 84.230 5.910 3.443 1.00 0.00 H new ATOM 913 N ASN A 60 80.465 8.213 4.108 1.00 0.00 N ATOM 914 CA ASN A 60 79.197 8.936 4.426 1.00 0.00 C ATOM 915 C ASN A 60 78.650 9.652 3.187 1.00 0.00 C ATOM 916 O ASN A 60 79.311 10.485 2.584 1.00 0.00 O ATOM 917 CB ASN A 60 79.471 9.957 5.532 1.00 0.00 C ATOM 918 CG ASN A 60 79.843 9.221 6.821 1.00 0.00 C ATOM 919 OD1 ASN A 60 79.504 7.966 6.963 1.00 0.00 O flip ATOM 920 ND2 ASN A 60 80.450 9.789 7.708 1.00 0.00 N flip ATOM 0 H ASN A 60 81.279 8.808 3.952 1.00 0.00 H new ATOM 0 HA ASN A 60 78.452 8.213 4.758 1.00 0.00 H new ATOM 0 HB2 ASN A 60 80.280 10.624 5.234 1.00 0.00 H new ATOM 0 HB3 ASN A 60 78.590 10.578 5.696 1.00 0.00 H new ATOM 0 HD21 ASN A 60 80.715 10.768 7.599 1.00 0.00 H new ATOM 0 HD22 ASN A 60 80.694 9.287 8.561 1.00 0.00 H new ATOM 1167 N SER A 77 82.506 11.138 -6.874 1.00 0.00 N ATOM 1168 CA SER A 77 81.634 9.936 -7.011 1.00 0.00 C ATOM 1169 C SER A 77 82.263 8.771 -6.237 1.00 0.00 C ATOM 1170 O SER A 77 83.400 8.840 -5.816 1.00 0.00 O ATOM 1171 CB SER A 77 81.510 9.566 -8.490 1.00 0.00 C ATOM 1172 OG SER A 77 80.868 10.626 -9.188 1.00 0.00 O ATOM 0 HA SER A 77 80.643 10.148 -6.609 1.00 0.00 H new ATOM 0 HB2 SER A 77 82.497 9.381 -8.914 1.00 0.00 H new ATOM 0 HB3 SER A 77 80.938 8.644 -8.599 1.00 0.00 H new ATOM 0 HG SER A 77 81.180 11.486 -8.836 1.00 0.00 H new ATOM 1178 N LEU A 78 81.540 7.698 -6.048 1.00 0.00 N ATOM 1179 CA LEU A 78 82.117 6.540 -5.303 1.00 0.00 C ATOM 1180 C LEU A 78 83.304 5.968 -6.081 1.00 0.00 C ATOM 1181 O LEU A 78 84.296 5.568 -5.507 1.00 0.00 O ATOM 1182 CB LEU A 78 81.053 5.457 -5.114 1.00 0.00 C ATOM 1183 CG LEU A 78 79.999 5.957 -4.121 1.00 0.00 C ATOM 1184 CD1 LEU A 78 78.841 4.961 -4.047 1.00 0.00 C ATOM 1185 CD2 LEU A 78 80.635 6.098 -2.736 1.00 0.00 C ATOM 0 H LEU A 78 80.582 7.574 -6.375 1.00 0.00 H new ATOM 0 HA LEU A 78 82.456 6.879 -4.324 1.00 0.00 H new ATOM 0 HB2 LEU A 78 80.586 5.218 -6.069 1.00 0.00 H new ATOM 0 HB3 LEU A 78 81.512 4.540 -4.745 1.00 0.00 H new ATOM 0 HG LEU A 78 79.621 6.924 -4.454 1.00 0.00 H new ATOM 0 HD11 LEU A 78 78.095 5.322 -3.339 1.00 0.00 H new ATOM 0 HD12 LEU A 78 78.386 4.858 -5.032 1.00 0.00 H new ATOM 0 HD13 LEU A 78 79.215 3.992 -3.717 1.00 0.00 H new ATOM 0 HD21 LEU A 78 79.888 6.454 -2.027 1.00 0.00 H new ATOM 0 HD22 LEU A 78 81.013 5.129 -2.409 1.00 0.00 H new ATOM 0 HD23 LEU A 78 81.458 6.811 -2.784 1.00 0.00 H new ATOM 1197 N LYS A 79 83.221 5.932 -7.385 1.00 0.00 N ATOM 1198 CA LYS A 79 84.359 5.392 -8.184 1.00 0.00 C ATOM 1199 C LYS A 79 85.608 6.214 -7.869 1.00 0.00 C ATOM 1200 O LYS A 79 86.697 5.690 -7.734 1.00 0.00 O ATOM 1201 CB LYS A 79 84.034 5.514 -9.676 1.00 0.00 C ATOM 1202 CG LYS A 79 82.906 4.544 -10.032 1.00 0.00 C ATOM 1203 CD LYS A 79 82.545 4.687 -11.513 1.00 0.00 C ATOM 1204 CE LYS A 79 81.513 3.621 -11.887 1.00 0.00 C ATOM 1205 NZ LYS A 79 81.307 3.615 -13.363 1.00 0.00 N ATOM 0 H LYS A 79 82.419 6.251 -7.928 1.00 0.00 H new ATOM 0 HA LYS A 79 84.528 4.344 -7.936 1.00 0.00 H new ATOM 0 HB2 LYS A 79 83.738 6.536 -9.912 1.00 0.00 H new ATOM 0 HB3 LYS A 79 84.920 5.293 -10.272 1.00 0.00 H new ATOM 0 HG2 LYS A 79 83.215 3.520 -9.821 1.00 0.00 H new ATOM 0 HG3 LYS A 79 82.031 4.747 -9.414 1.00 0.00 H new ATOM 0 HD2 LYS A 79 82.144 5.682 -11.707 1.00 0.00 H new ATOM 0 HD3 LYS A 79 83.438 4.577 -12.129 1.00 0.00 H new ATOM 0 HE2 LYS A 79 81.852 2.640 -11.554 1.00 0.00 H new ATOM 0 HE3 LYS A 79 80.569 3.821 -11.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 80.605 2.889 -13.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 80.964 4.548 -13.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 82.208 3.404 -13.838 1.00 0.00 H new ATOM 1219 N GLU A 80 85.447 7.499 -7.742 1.00 0.00 N ATOM 1220 CA GLU A 80 86.604 8.380 -7.423 1.00 0.00 C ATOM 1221 C GLU A 80 87.086 8.093 -5.998 1.00 0.00 C ATOM 1222 O GLU A 80 88.256 8.194 -5.693 1.00 0.00 O ATOM 1223 CB GLU A 80 86.162 9.839 -7.526 1.00 0.00 C ATOM 1224 CG GLU A 80 87.382 10.754 -7.427 1.00 0.00 C ATOM 1225 CD GLU A 80 86.923 12.211 -7.453 1.00 0.00 C ATOM 1226 OE1 GLU A 80 86.398 12.663 -6.448 1.00 0.00 O ATOM 1227 OE2 GLU A 80 87.098 12.849 -8.480 1.00 0.00 O ATOM 0 H GLU A 80 84.555 7.982 -7.846 1.00 0.00 H new ATOM 0 HA GLU A 80 87.417 8.190 -8.124 1.00 0.00 H new ATOM 0 HB2 GLU A 80 85.645 10.007 -8.471 1.00 0.00 H new ATOM 0 HB3 GLU A 80 85.455 10.072 -6.730 1.00 0.00 H new ATOM 0 HG2 GLU A 80 87.931 10.550 -6.508 1.00 0.00 H new ATOM 0 HG3 GLU A 80 88.064 10.561 -8.255 1.00 0.00 H new ATOM 1234 N LEU A 81 86.184 7.742 -5.122 1.00 0.00 N ATOM 1235 CA LEU A 81 86.578 7.455 -3.716 1.00 0.00 C ATOM 1236 C LEU A 81 87.686 6.409 -3.701 1.00 0.00 C ATOM 1237 O LEU A 81 88.692 6.564 -3.040 1.00 0.00 O ATOM 1238 CB LEU A 81 85.370 6.902 -2.959 1.00 0.00 C ATOM 1239 CG LEU A 81 85.758 6.594 -1.508 1.00 0.00 C ATOM 1240 CD1 LEU A 81 85.758 7.888 -0.691 1.00 0.00 C ATOM 1241 CD2 LEU A 81 84.753 5.605 -0.899 1.00 0.00 C ATOM 0 H LEU A 81 85.189 7.642 -5.322 1.00 0.00 H new ATOM 0 HA LEU A 81 86.930 8.372 -3.244 1.00 0.00 H new ATOM 0 HB2 LEU A 81 84.555 7.625 -2.981 1.00 0.00 H new ATOM 0 HB3 LEU A 81 85.007 5.997 -3.447 1.00 0.00 H new ATOM 0 HG LEU A 81 86.754 6.152 -1.490 1.00 0.00 H new ATOM 0 HD11 LEU A 81 86.034 7.667 0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 81 86.477 8.587 -1.117 1.00 0.00 H new ATOM 0 HD13 LEU A 81 84.763 8.332 -0.713 1.00 0.00 H new ATOM 0 HD21 LEU A 81 85.034 5.390 0.132 1.00 0.00 H new ATOM 0 HD22 LEU A 81 83.755 6.042 -0.920 1.00 0.00 H new ATOM 0 HD23 LEU A 81 84.757 4.681 -1.477 1.00 0.00 H new ATOM 1253 N VAL A 82 87.506 5.341 -4.418 1.00 0.00 N ATOM 1254 CA VAL A 82 88.548 4.285 -4.435 1.00 0.00 C ATOM 1255 C VAL A 82 89.801 4.841 -5.102 1.00 0.00 C ATOM 1256 O VAL A 82 90.907 4.635 -4.646 1.00 0.00 O ATOM 1257 CB VAL A 82 88.044 3.082 -5.224 1.00 0.00 C ATOM 1258 CG1 VAL A 82 89.061 1.945 -5.121 1.00 0.00 C ATOM 1259 CG2 VAL A 82 86.702 2.633 -4.649 1.00 0.00 C ATOM 0 H VAL A 82 86.684 5.153 -4.992 1.00 0.00 H new ATOM 0 HA VAL A 82 88.776 3.975 -3.415 1.00 0.00 H new ATOM 0 HB VAL A 82 87.916 3.353 -6.272 1.00 0.00 H new ATOM 0 HG11 VAL A 82 88.702 1.084 -5.685 1.00 0.00 H new ATOM 0 HG12 VAL A 82 90.017 2.274 -5.530 1.00 0.00 H new ATOM 0 HG13 VAL A 82 89.190 1.666 -4.075 1.00 0.00 H new ATOM 0 HG21 VAL A 82 86.336 1.773 -5.209 1.00 0.00 H new ATOM 0 HG22 VAL A 82 86.829 2.357 -3.602 1.00 0.00 H new ATOM 0 HG23 VAL A 82 85.983 3.448 -4.725 1.00 0.00 H new ATOM 1269 N LEU A 83 89.632 5.542 -6.185 1.00 0.00 N ATOM 1270 CA LEU A 83 90.807 6.114 -6.894 1.00 0.00 C ATOM 1271 C LEU A 83 91.476 7.186 -6.026 1.00 0.00 C ATOM 1272 O LEU A 83 92.684 7.253 -5.921 1.00 0.00 O ATOM 1273 CB LEU A 83 90.331 6.759 -8.197 1.00 0.00 C ATOM 1274 CG LEU A 83 89.750 5.689 -9.121 1.00 0.00 C ATOM 1275 CD1 LEU A 83 89.093 6.359 -10.327 1.00 0.00 C ATOM 1276 CD2 LEU A 83 90.869 4.766 -9.606 1.00 0.00 C ATOM 0 H LEU A 83 88.728 5.744 -6.611 1.00 0.00 H new ATOM 0 HA LEU A 83 91.524 5.320 -7.100 1.00 0.00 H new ATOM 0 HB2 LEU A 83 89.577 7.517 -7.984 1.00 0.00 H new ATOM 0 HB3 LEU A 83 91.162 7.265 -8.688 1.00 0.00 H new ATOM 0 HG LEU A 83 89.008 5.107 -8.575 1.00 0.00 H new ATOM 0 HD11 LEU A 83 88.679 5.596 -10.986 1.00 0.00 H new ATOM 0 HD12 LEU A 83 88.294 7.018 -9.987 1.00 0.00 H new ATOM 0 HD13 LEU A 83 89.837 6.942 -10.870 1.00 0.00 H new ATOM 0 HD21 LEU A 83 90.452 4.004 -10.265 1.00 0.00 H new ATOM 0 HD22 LEU A 83 91.612 5.349 -10.150 1.00 0.00 H new ATOM 0 HD23 LEU A 83 91.342 4.286 -8.749 1.00 0.00 H new ATOM 1288 N HIS A 84 90.698 8.038 -5.421 1.00 0.00 N ATOM 1289 CA HIS A 84 91.281 9.124 -4.579 1.00 0.00 C ATOM 1290 C HIS A 84 92.102 8.545 -3.419 1.00 0.00 C ATOM 1291 O HIS A 84 93.183 9.010 -3.121 1.00 0.00 O ATOM 1292 CB HIS A 84 90.140 9.970 -4.013 1.00 0.00 C ATOM 1293 CG HIS A 84 90.708 11.160 -3.297 1.00 0.00 C ATOM 1294 ND1 HIS A 84 91.148 12.287 -3.973 1.00 0.00 N ATOM 1295 CD2 HIS A 84 90.911 11.419 -1.964 1.00 0.00 C ATOM 1296 CE1 HIS A 84 91.590 13.163 -3.053 1.00 0.00 C ATOM 1297 NE2 HIS A 84 91.469 12.684 -1.813 1.00 0.00 N ATOM 0 H HIS A 84 89.679 8.031 -5.472 1.00 0.00 H new ATOM 0 HA HIS A 84 91.943 9.731 -5.197 1.00 0.00 H new ATOM 0 HB2 HIS A 84 89.481 10.297 -4.818 1.00 0.00 H new ATOM 0 HB3 HIS A 84 89.536 9.374 -3.329 1.00 0.00 H new ATOM 0 HD2 HIS A 84 90.674 10.743 -1.156 1.00 0.00 H new ATOM 0 HE1 HIS A 84 91.994 14.136 -3.289 1.00 0.00 H new ATOM 0 HE2 HIS A 84 91.730 13.146 -0.942 1.00 0.00 H new ATOM 1305 N TYR A 85 91.595 7.542 -2.756 1.00 0.00 N ATOM 1306 CA TYR A 85 92.341 6.952 -1.608 1.00 0.00 C ATOM 1307 C TYR A 85 93.492 6.087 -2.111 1.00 0.00 C ATOM 1308 O TYR A 85 94.449 5.835 -1.403 1.00 0.00 O ATOM 1309 CB TYR A 85 91.390 6.103 -0.766 1.00 0.00 C ATOM 1310 CG TYR A 85 91.122 6.772 0.564 1.00 0.00 C ATOM 1311 CD1 TYR A 85 92.187 7.239 1.352 1.00 0.00 C ATOM 1312 CD2 TYR A 85 89.804 6.913 1.017 1.00 0.00 C ATOM 1313 CE1 TYR A 85 91.928 7.847 2.585 1.00 0.00 C ATOM 1314 CE2 TYR A 85 89.549 7.518 2.253 1.00 0.00 C ATOM 1315 CZ TYR A 85 90.613 7.986 3.036 1.00 0.00 C ATOM 1316 OH TYR A 85 90.365 8.577 4.255 1.00 0.00 O ATOM 0 H TYR A 85 90.696 7.105 -2.960 1.00 0.00 H new ATOM 0 HA TYR A 85 92.749 7.759 -0.999 1.00 0.00 H new ATOM 0 HB2 TYR A 85 90.452 5.956 -1.302 1.00 0.00 H new ATOM 0 HB3 TYR A 85 91.822 5.116 -0.603 1.00 0.00 H new ATOM 0 HD1 TYR A 85 93.204 7.129 1.006 1.00 0.00 H new ATOM 0 HD2 TYR A 85 88.984 6.555 0.412 1.00 0.00 H new ATOM 0 HE1 TYR A 85 92.746 8.210 3.189 1.00 0.00 H new ATOM 0 HE2 TYR A 85 88.533 7.624 2.603 1.00 0.00 H new ATOM 0 HH TYR A 85 89.399 8.597 4.418 1.00 0.00 H new ATOM 1326 N GLN A 86 93.412 5.634 -3.323 1.00 0.00 N ATOM 1327 CA GLN A 86 94.512 4.807 -3.871 1.00 0.00 C ATOM 1328 C GLN A 86 95.744 5.694 -4.016 1.00 0.00 C ATOM 1329 O GLN A 86 96.853 5.305 -3.712 1.00 0.00 O ATOM 1330 CB GLN A 86 94.082 4.266 -5.243 1.00 0.00 C ATOM 1331 CG GLN A 86 95.288 4.192 -6.186 1.00 0.00 C ATOM 1332 CD GLN A 86 96.379 3.332 -5.555 1.00 0.00 C ATOM 1333 OE1 GLN A 86 96.478 3.244 -4.347 1.00 0.00 O ATOM 1334 NE2 GLN A 86 97.205 2.687 -6.328 1.00 0.00 N ATOM 0 H GLN A 86 92.632 5.800 -3.959 1.00 0.00 H new ATOM 0 HA GLN A 86 94.740 3.969 -3.213 1.00 0.00 H new ATOM 0 HB2 GLN A 86 93.639 3.276 -5.129 1.00 0.00 H new ATOM 0 HB3 GLN A 86 93.315 4.911 -5.672 1.00 0.00 H new ATOM 0 HG2 GLN A 86 94.987 3.770 -7.145 1.00 0.00 H new ATOM 0 HG3 GLN A 86 95.669 5.194 -6.384 1.00 0.00 H new ATOM 0 HE21 GLN A 86 97.120 2.763 -7.342 1.00 0.00 H new ATOM 0 HE22 GLN A 86 97.937 2.106 -5.920 1.00 0.00 H new ATOM 1343 N HIS A 87 95.545 6.892 -4.485 1.00 0.00 N ATOM 1344 CA HIS A 87 96.683 7.830 -4.668 1.00 0.00 C ATOM 1345 C HIS A 87 97.151 8.357 -3.311 1.00 0.00 C ATOM 1346 O HIS A 87 98.331 8.514 -3.071 1.00 0.00 O ATOM 1347 CB HIS A 87 96.237 8.995 -5.552 1.00 0.00 C ATOM 1348 CG HIS A 87 97.416 9.877 -5.857 1.00 0.00 C ATOM 1349 ND1 HIS A 87 98.768 9.699 -5.681 1.00 0.00 N flip ATOM 1350 CD2 HIS A 87 97.271 11.127 -6.435 1.00 0.00 C flip ATOM 1351 CE1 HIS A 87 99.452 10.820 -6.144 1.00 0.00 C flip ATOM 1352 NE2 HIS A 87 98.504 11.649 -6.589 1.00 0.00 N flip ATOM 0 H HIS A 87 94.634 7.264 -4.752 1.00 0.00 H new ATOM 0 HA HIS A 87 97.511 7.306 -5.145 1.00 0.00 H new ATOM 0 HB2 HIS A 87 95.804 8.617 -6.478 1.00 0.00 H new ATOM 0 HB3 HIS A 87 95.460 9.570 -5.048 1.00 0.00 H new ATOM 0 HD2 HIS A 87 96.339 11.598 -6.712 1.00 0.00 H new ATOM 0 HE1 HIS A 87 100.519 10.984 -6.143 1.00 0.00 H new ATOM 0 HE2 HIS A 87 98.690 12.566 -6.996 1.00 0.00 H new ATOM 1360 N THR A 88 96.237 8.646 -2.424 1.00 0.00 N ATOM 1361 CA THR A 88 96.642 9.180 -1.090 1.00 0.00 C ATOM 1362 C THR A 88 96.677 8.061 -0.053 1.00 0.00 C ATOM 1363 O THR A 88 95.840 7.180 -0.026 1.00 0.00 O ATOM 1364 CB THR A 88 95.655 10.260 -0.648 1.00 0.00 C ATOM 1365 OG1 THR A 88 95.540 11.240 -1.671 1.00 0.00 O ATOM 1366 CG2 THR A 88 96.165 10.917 0.633 1.00 0.00 C ATOM 0 H THR A 88 95.233 8.536 -2.563 1.00 0.00 H new ATOM 0 HA THR A 88 97.640 9.609 -1.174 1.00 0.00 H new ATOM 0 HB THR A 88 94.679 9.811 -0.463 1.00 0.00 H new ATOM 0 HG1 THR A 88 94.906 11.933 -1.391 1.00 0.00 H new ATOM 0 HG21 THR A 88 95.463 11.688 0.951 1.00 0.00 H new ATOM 0 HG22 THR A 88 96.257 10.165 1.416 1.00 0.00 H new ATOM 0 HG23 THR A 88 97.140 11.368 0.447 1.00 0.00 H new ATOM 1374 N SER A 89 97.657 8.100 0.802 1.00 0.00 N ATOM 1375 CA SER A 89 97.790 7.058 1.853 1.00 0.00 C ATOM 1376 C SER A 89 96.925 7.423 3.065 1.00 0.00 C ATOM 1377 O SER A 89 96.805 8.575 3.428 1.00 0.00 O ATOM 1378 CB SER A 89 99.254 6.989 2.271 1.00 0.00 C ATOM 1379 OG SER A 89 99.567 8.126 3.065 1.00 0.00 O ATOM 0 H SER A 89 98.381 8.819 0.817 1.00 0.00 H new ATOM 0 HA SER A 89 97.459 6.094 1.467 1.00 0.00 H new ATOM 0 HB2 SER A 89 99.441 6.075 2.834 1.00 0.00 H new ATOM 0 HB3 SER A 89 99.895 6.958 1.390 1.00 0.00 H new ATOM 0 HG SER A 89 100.507 8.086 3.338 1.00 0.00 H new ATOM 1385 N LEU A 90 96.330 6.446 3.697 1.00 0.00 N ATOM 1386 CA LEU A 90 95.477 6.728 4.891 1.00 0.00 C ATOM 1387 C LEU A 90 96.371 7.097 6.084 1.00 0.00 C ATOM 1388 O LEU A 90 95.919 7.666 7.057 1.00 0.00 O ATOM 1389 CB LEU A 90 94.660 5.478 5.238 1.00 0.00 C ATOM 1390 CG LEU A 90 93.514 5.307 4.232 1.00 0.00 C ATOM 1391 CD1 LEU A 90 94.083 4.886 2.881 1.00 0.00 C ATOM 1392 CD2 LEU A 90 92.552 4.222 4.724 1.00 0.00 C ATOM 0 H LEU A 90 96.398 5.462 3.438 1.00 0.00 H new ATOM 0 HA LEU A 90 94.804 7.557 4.670 1.00 0.00 H new ATOM 0 HB2 LEU A 90 95.302 4.598 5.224 1.00 0.00 H new ATOM 0 HB3 LEU A 90 94.259 5.564 6.248 1.00 0.00 H new ATOM 0 HG LEU A 90 92.981 6.253 4.133 1.00 0.00 H new ATOM 0 HD11 LEU A 90 93.270 4.764 2.166 1.00 0.00 H new ATOM 0 HD12 LEU A 90 94.771 5.651 2.522 1.00 0.00 H new ATOM 0 HD13 LEU A 90 94.616 3.941 2.989 1.00 0.00 H new ATOM 0 HD21 LEU A 90 91.740 4.104 4.007 1.00 0.00 H new ATOM 0 HD22 LEU A 90 93.088 3.278 4.824 1.00 0.00 H new ATOM 0 HD23 LEU A 90 92.142 4.511 5.692 1.00 0.00 H new ATOM 1404 N VAL A 91 97.635 6.766 6.019 1.00 0.00 N ATOM 1405 CA VAL A 91 98.555 7.084 7.154 1.00 0.00 C ATOM 1406 C VAL A 91 98.142 8.391 7.803 1.00 0.00 C ATOM 1407 O VAL A 91 98.089 8.482 9.008 1.00 0.00 O ATOM 1408 CB VAL A 91 99.995 7.207 6.645 1.00 0.00 C ATOM 1409 CG1 VAL A 91 100.193 8.571 5.984 1.00 0.00 C ATOM 1410 CG2 VAL A 91 100.959 7.076 7.828 1.00 0.00 C ATOM 0 H VAL A 91 98.071 6.289 5.229 1.00 0.00 H new ATOM 0 HA VAL A 91 98.497 6.279 7.886 1.00 0.00 H new ATOM 0 HB VAL A 91 100.191 6.420 5.917 1.00 0.00 H new ATOM 0 HG11 VAL A 91 101.218 8.655 5.623 1.00 0.00 H new ATOM 0 HG12 VAL A 91 99.504 8.673 5.146 1.00 0.00 H new ATOM 0 HG13 VAL A 91 99.998 9.359 6.711 1.00 0.00 H new ATOM 0 HG21 VAL A 91 101.986 7.163 7.472 1.00 0.00 H new ATOM 0 HG22 VAL A 91 100.758 7.867 8.551 1.00 0.00 H new ATOM 0 HG23 VAL A 91 100.821 6.105 8.304 1.00 0.00 H new ATOM 1420 N GLN A 92 97.848 9.398 7.021 1.00 0.00 N ATOM 1421 CA GLN A 92 97.450 10.713 7.607 1.00 0.00 C ATOM 1422 C GLN A 92 96.396 10.497 8.686 1.00 0.00 C ATOM 1423 O GLN A 92 96.483 11.045 9.768 1.00 0.00 O ATOM 1424 CB GLN A 92 96.870 11.604 6.506 1.00 0.00 C ATOM 1425 CG GLN A 92 96.636 13.011 7.057 1.00 0.00 C ATOM 1426 CD GLN A 92 97.965 13.591 7.531 1.00 0.00 C ATOM 1427 OE1 GLN A 92 99.052 13.317 6.863 1.00 0.00 O flip ATOM 1428 NE2 GLN A 92 98.017 14.297 8.518 1.00 0.00 N flip ATOM 0 H GLN A 92 97.866 9.366 6.002 1.00 0.00 H new ATOM 0 HA GLN A 92 98.325 11.192 8.046 1.00 0.00 H new ATOM 0 HB2 GLN A 92 97.554 11.643 5.658 1.00 0.00 H new ATOM 0 HB3 GLN A 92 95.933 11.185 6.141 1.00 0.00 H new ATOM 0 HG2 GLN A 92 96.201 13.648 6.287 1.00 0.00 H new ATOM 0 HG3 GLN A 92 95.925 12.978 7.882 1.00 0.00 H new ATOM 0 HE21 GLN A 92 97.166 14.510 9.038 1.00 0.00 H new ATOM 0 HE22 GLN A 92 98.912 14.677 8.826 1.00 0.00 H new ATOM 1437 N HIS A 93 95.411 9.695 8.416 1.00 0.00 N ATOM 1438 CA HIS A 93 94.375 9.444 9.448 1.00 0.00 C ATOM 1439 C HIS A 93 95.040 8.785 10.655 1.00 0.00 C ATOM 1440 O HIS A 93 95.792 7.839 10.518 1.00 0.00 O ATOM 1441 CB HIS A 93 93.307 8.513 8.884 1.00 0.00 C ATOM 1442 CG HIS A 93 92.203 8.371 9.892 1.00 0.00 C ATOM 1443 ND1 HIS A 93 91.798 7.315 10.667 1.00 0.00 N flip ATOM 1444 CD2 HIS A 93 91.355 9.421 10.207 1.00 0.00 C flip ATOM 1445 CE1 HIS A 93 90.715 7.699 11.453 1.00 0.00 C flip ATOM 1446 NE2 HIS A 93 90.490 8.978 11.137 1.00 0.00 N flip ATOM 0 H HIS A 93 95.278 9.205 7.531 1.00 0.00 H new ATOM 0 HA HIS A 93 93.909 10.384 9.744 1.00 0.00 H new ATOM 0 HB2 HIS A 93 92.914 8.913 7.949 1.00 0.00 H new ATOM 0 HB3 HIS A 93 93.738 7.538 8.658 1.00 0.00 H new ATOM 0 HD2 HIS A 93 91.384 10.414 9.783 1.00 0.00 H new ATOM 0 HE1 HIS A 93 90.173 7.094 12.165 1.00 0.00 H new ATOM 0 HE2 HIS A 93 89.752 9.548 11.551 1.00 0.00 H new ATOM 1454 N ASN A 94 94.778 9.273 11.832 1.00 0.00 N ATOM 1455 CA ASN A 94 95.404 8.666 13.038 1.00 0.00 C ATOM 1456 C ASN A 94 96.931 8.629 12.865 1.00 0.00 C ATOM 1457 O ASN A 94 97.653 8.193 13.739 1.00 0.00 O ATOM 1458 CB ASN A 94 94.872 7.244 13.222 1.00 0.00 C ATOM 1459 CG ASN A 94 93.368 7.288 13.505 1.00 0.00 C ATOM 1460 OD1 ASN A 94 92.621 6.267 13.179 1.00 0.00 O flip ATOM 1461 ND2 ASN A 94 92.865 8.261 14.029 1.00 0.00 N flip ATOM 0 H ASN A 94 94.159 10.064 12.012 1.00 0.00 H new ATOM 0 HA ASN A 94 95.158 9.263 13.916 1.00 0.00 H new ATOM 0 HB2 ASN A 94 95.066 6.654 12.326 1.00 0.00 H new ATOM 0 HB3 ASN A 94 95.392 6.754 14.045 1.00 0.00 H new ATOM 0 HD21 ASN A 94 93.445 9.060 14.285 1.00 0.00 H new ATOM 0 HD22 ASN A 94 91.862 8.280 14.213 1.00 0.00 H new ATOM 1468 N ASP A 95 97.428 9.094 11.748 1.00 0.00 N ATOM 1469 CA ASP A 95 98.908 9.097 11.523 1.00 0.00 C ATOM 1470 C ASP A 95 99.470 7.676 11.665 1.00 0.00 C ATOM 1471 O ASP A 95 100.634 7.498 11.960 1.00 0.00 O ATOM 1472 CB ASP A 95 99.583 9.999 12.561 1.00 0.00 C ATOM 1473 CG ASP A 95 99.171 11.456 12.335 1.00 0.00 C ATOM 1474 OD1 ASP A 95 98.790 11.780 11.223 1.00 0.00 O ATOM 1475 OD2 ASP A 95 99.248 12.223 13.281 1.00 0.00 O ATOM 0 H ASP A 95 96.874 9.473 10.980 1.00 0.00 H new ATOM 0 HA ASP A 95 99.107 9.468 10.517 1.00 0.00 H new ATOM 0 HB2 ASP A 95 99.302 9.685 13.566 1.00 0.00 H new ATOM 0 HB3 ASP A 95 100.666 9.903 12.489 1.00 0.00 H new ATOM 1480 N SER A 96 98.668 6.662 11.462 1.00 0.00 N ATOM 1481 CA SER A 96 99.197 5.272 11.599 1.00 0.00 C ATOM 1482 C SER A 96 98.548 4.348 10.575 1.00 0.00 C ATOM 1483 O SER A 96 98.675 3.143 10.656 1.00 0.00 O ATOM 1484 CB SER A 96 98.898 4.742 13.000 1.00 0.00 C ATOM 1485 OG SER A 96 99.688 5.445 13.950 1.00 0.00 O ATOM 0 H SER A 96 97.682 6.734 11.210 1.00 0.00 H new ATOM 0 HA SER A 96 100.273 5.297 11.429 1.00 0.00 H new ATOM 0 HB2 SER A 96 97.839 4.865 13.229 1.00 0.00 H new ATOM 0 HB3 SER A 96 99.113 3.675 13.050 1.00 0.00 H new ATOM 0 HG SER A 96 99.496 5.107 14.850 1.00 0.00 H new ATOM 1491 N LEU A 97 97.858 4.885 9.614 1.00 0.00 N ATOM 1492 CA LEU A 97 97.224 4.001 8.601 1.00 0.00 C ATOM 1493 C LEU A 97 98.116 3.983 7.373 1.00 0.00 C ATOM 1494 O LEU A 97 97.818 4.578 6.359 1.00 0.00 O ATOM 1495 CB LEU A 97 95.834 4.522 8.241 1.00 0.00 C ATOM 1496 CG LEU A 97 94.836 4.103 9.325 1.00 0.00 C ATOM 1497 CD1 LEU A 97 94.946 5.044 10.523 1.00 0.00 C ATOM 1498 CD2 LEU A 97 93.413 4.163 8.768 1.00 0.00 C ATOM 0 H LEU A 97 97.706 5.885 9.485 1.00 0.00 H new ATOM 0 HA LEU A 97 97.110 2.992 8.998 1.00 0.00 H new ATOM 0 HB2 LEU A 97 95.853 5.608 8.149 1.00 0.00 H new ATOM 0 HB3 LEU A 97 95.525 4.126 7.274 1.00 0.00 H new ATOM 0 HG LEU A 97 95.063 3.085 9.640 1.00 0.00 H new ATOM 0 HD11 LEU A 97 94.234 4.741 11.290 1.00 0.00 H new ATOM 0 HD12 LEU A 97 95.957 5.000 10.928 1.00 0.00 H new ATOM 0 HD13 LEU A 97 94.726 6.063 10.206 1.00 0.00 H new ATOM 0 HD21 LEU A 97 92.706 3.864 9.542 1.00 0.00 H new ATOM 0 HD22 LEU A 97 93.191 5.181 8.447 1.00 0.00 H new ATOM 0 HD23 LEU A 97 93.326 3.487 7.917 1.00 0.00 H new ATOM 1510 N ASN A 98 99.217 3.308 7.460 1.00 0.00 N ATOM 1511 CA ASN A 98 100.138 3.264 6.312 1.00 0.00 C ATOM 1512 C ASN A 98 99.580 2.271 5.300 1.00 0.00 C ATOM 1513 O ASN A 98 100.037 1.153 5.176 1.00 0.00 O ATOM 1514 CB ASN A 98 101.508 2.827 6.823 1.00 0.00 C ATOM 1515 CG ASN A 98 102.559 2.991 5.726 1.00 0.00 C ATOM 1516 OD1 ASN A 98 102.418 3.816 4.847 1.00 0.00 O ATOM 1517 ND2 ASN A 98 103.620 2.233 5.746 1.00 0.00 N ATOM 0 H ASN A 98 99.518 2.783 8.281 1.00 0.00 H new ATOM 0 HA ASN A 98 100.239 4.236 5.830 1.00 0.00 H new ATOM 0 HB2 ASN A 98 101.785 3.421 7.694 1.00 0.00 H new ATOM 0 HB3 ASN A 98 101.469 1.787 7.146 1.00 0.00 H new ATOM 0 HD21 ASN A 98 104.332 2.333 5.023 1.00 0.00 H new ATOM 0 HD22 ASN A 98 103.738 1.540 6.485 1.00 0.00 H new ATOM 1524 N VAL A 99 98.565 2.683 4.589 1.00 0.00 N ATOM 1525 CA VAL A 99 97.935 1.783 3.595 1.00 0.00 C ATOM 1526 C VAL A 99 97.298 2.610 2.482 1.00 0.00 C ATOM 1527 O VAL A 99 96.933 3.753 2.669 1.00 0.00 O ATOM 1528 CB VAL A 99 96.857 0.954 4.297 1.00 0.00 C ATOM 1529 CG1 VAL A 99 95.948 1.879 5.109 1.00 0.00 C ATOM 1530 CG2 VAL A 99 96.020 0.210 3.256 1.00 0.00 C ATOM 0 H VAL A 99 98.147 3.611 4.658 1.00 0.00 H new ATOM 0 HA VAL A 99 98.689 1.125 3.162 1.00 0.00 H new ATOM 0 HB VAL A 99 97.334 0.234 4.962 1.00 0.00 H new ATOM 0 HG11 VAL A 99 95.180 1.288 5.609 1.00 0.00 H new ATOM 0 HG12 VAL A 99 96.541 2.409 5.855 1.00 0.00 H new ATOM 0 HG13 VAL A 99 95.474 2.600 4.443 1.00 0.00 H new ATOM 0 HG21 VAL A 99 95.253 -0.379 3.759 1.00 0.00 H new ATOM 0 HG22 VAL A 99 95.545 0.930 2.589 1.00 0.00 H new ATOM 0 HG23 VAL A 99 96.664 -0.451 2.677 1.00 0.00 H new ATOM 1540 N THR A 100 97.153 2.028 1.330 1.00 0.00 N ATOM 1541 CA THR A 100 96.525 2.750 0.191 1.00 0.00 C ATOM 1542 C THR A 100 95.428 1.860 -0.383 1.00 0.00 C ATOM 1543 O THR A 100 95.625 0.676 -0.575 1.00 0.00 O ATOM 1544 CB THR A 100 97.576 3.020 -0.887 1.00 0.00 C ATOM 1545 OG1 THR A 100 98.090 1.784 -1.361 1.00 0.00 O ATOM 1546 CG2 THR A 100 98.714 3.856 -0.300 1.00 0.00 C ATOM 0 H THR A 100 97.445 1.073 1.125 1.00 0.00 H new ATOM 0 HA THR A 100 96.110 3.700 0.527 1.00 0.00 H new ATOM 0 HB THR A 100 97.118 3.566 -1.712 1.00 0.00 H new ATOM 0 HG1 THR A 100 97.421 1.080 -1.231 1.00 0.00 H new ATOM 0 HG21 THR A 100 99.461 4.046 -1.071 1.00 0.00 H new ATOM 0 HG22 THR A 100 98.319 4.804 0.064 1.00 0.00 H new ATOM 0 HG23 THR A 100 99.175 3.314 0.526 1.00 0.00 H new ATOM 1554 N LEU A 101 94.280 2.401 -0.670 1.00 0.00 N ATOM 1555 CA LEU A 101 93.211 1.541 -1.239 1.00 0.00 C ATOM 1556 C LEU A 101 93.605 1.215 -2.678 1.00 0.00 C ATOM 1557 O LEU A 101 93.025 1.705 -3.628 1.00 0.00 O ATOM 1558 CB LEU A 101 91.878 2.288 -1.193 1.00 0.00 C ATOM 1559 CG LEU A 101 91.585 2.714 0.251 1.00 0.00 C ATOM 1560 CD1 LEU A 101 90.206 3.376 0.319 1.00 0.00 C ATOM 1561 CD2 LEU A 101 91.606 1.489 1.168 1.00 0.00 C ATOM 0 H LEU A 101 94.038 3.383 -0.538 1.00 0.00 H new ATOM 0 HA LEU A 101 93.097 0.619 -0.668 1.00 0.00 H new ATOM 0 HB2 LEU A 101 91.916 3.163 -1.842 1.00 0.00 H new ATOM 0 HB3 LEU A 101 91.077 1.649 -1.566 1.00 0.00 H new ATOM 0 HG LEU A 101 92.347 3.422 0.577 1.00 0.00 H new ATOM 0 HD11 LEU A 101 89.998 3.679 1.345 1.00 0.00 H new ATOM 0 HD12 LEU A 101 90.191 4.253 -0.328 1.00 0.00 H new ATOM 0 HD13 LEU A 101 89.446 2.668 -0.012 1.00 0.00 H new ATOM 0 HD21 LEU A 101 91.397 1.798 2.192 1.00 0.00 H new ATOM 0 HD22 LEU A 101 90.848 0.777 0.842 1.00 0.00 H new ATOM 0 HD23 LEU A 101 92.588 1.018 1.124 1.00 0.00 H new ATOM 1573 N ALA A 102 94.623 0.409 -2.832 1.00 0.00 N ATOM 1574 CA ALA A 102 95.119 0.064 -4.192 1.00 0.00 C ATOM 1575 C ALA A 102 94.982 -1.436 -4.489 1.00 0.00 C ATOM 1576 O ALA A 102 95.238 -1.866 -5.595 1.00 0.00 O ATOM 1577 CB ALA A 102 96.599 0.431 -4.269 1.00 0.00 C ATOM 0 H ALA A 102 95.135 -0.027 -2.065 1.00 0.00 H new ATOM 0 HA ALA A 102 94.524 0.614 -4.921 1.00 0.00 H new ATOM 0 HB1 ALA A 102 96.984 0.186 -5.259 1.00 0.00 H new ATOM 0 HB2 ALA A 102 96.719 1.499 -4.087 1.00 0.00 H new ATOM 0 HB3 ALA A 102 97.153 -0.130 -3.516 1.00 0.00 H new ATOM 1583 N TYR A 103 94.615 -2.248 -3.532 1.00 0.00 N ATOM 1584 CA TYR A 103 94.518 -3.708 -3.828 1.00 0.00 C ATOM 1585 C TYR A 103 93.099 -4.217 -3.574 1.00 0.00 C ATOM 1586 O TYR A 103 92.725 -4.482 -2.454 1.00 0.00 O ATOM 1587 CB TYR A 103 95.493 -4.479 -2.925 1.00 0.00 C ATOM 1588 CG TYR A 103 96.923 -4.092 -3.243 1.00 0.00 C ATOM 1589 CD1 TYR A 103 97.640 -4.793 -4.224 1.00 0.00 C ATOM 1590 CD2 TYR A 103 97.534 -3.038 -2.552 1.00 0.00 C ATOM 1591 CE1 TYR A 103 98.965 -4.439 -4.511 1.00 0.00 C ATOM 1592 CE2 TYR A 103 98.858 -2.684 -2.840 1.00 0.00 C ATOM 1593 CZ TYR A 103 99.573 -3.383 -3.818 1.00 0.00 C ATOM 1594 OH TYR A 103 100.877 -3.033 -4.099 1.00 0.00 O ATOM 0 H TYR A 103 94.383 -1.972 -2.578 1.00 0.00 H new ATOM 0 HA TYR A 103 94.770 -3.866 -4.877 1.00 0.00 H new ATOM 0 HB2 TYR A 103 95.276 -4.266 -1.878 1.00 0.00 H new ATOM 0 HB3 TYR A 103 95.359 -5.552 -3.066 1.00 0.00 H new ATOM 0 HD1 TYR A 103 97.171 -5.606 -4.758 1.00 0.00 H new ATOM 0 HD2 TYR A 103 96.983 -2.498 -1.796 1.00 0.00 H new ATOM 0 HE1 TYR A 103 99.517 -4.979 -5.266 1.00 0.00 H new ATOM 0 HE2 TYR A 103 99.327 -1.871 -2.307 1.00 0.00 H new ATOM 0 HH TYR A 103 101.144 -2.281 -3.530 1.00 0.00 H new ATOM 1604 N PRO A 104 92.317 -4.385 -4.603 1.00 0.00 N ATOM 1605 CA PRO A 104 90.936 -4.915 -4.454 1.00 0.00 C ATOM 1606 C PRO A 104 90.967 -6.304 -3.823 1.00 0.00 C ATOM 1607 O PRO A 104 91.873 -7.080 -4.061 1.00 0.00 O ATOM 1608 CB PRO A 104 90.405 -5.003 -5.882 1.00 0.00 C ATOM 1609 CG PRO A 104 91.278 -4.104 -6.693 1.00 0.00 C ATOM 1610 CD PRO A 104 92.643 -4.096 -6.006 1.00 0.00 C ATOM 0 HA PRO A 104 90.317 -4.286 -3.814 1.00 0.00 H new ATOM 0 HB2 PRO A 104 90.446 -6.027 -6.253 1.00 0.00 H new ATOM 0 HB3 PRO A 104 89.363 -4.687 -5.933 1.00 0.00 H new ATOM 0 HG2 PRO A 104 91.361 -4.464 -7.718 1.00 0.00 H new ATOM 0 HG3 PRO A 104 90.861 -3.098 -6.742 1.00 0.00 H new ATOM 0 HD2 PRO A 104 93.310 -4.848 -6.427 1.00 0.00 H new ATOM 0 HD3 PRO A 104 93.142 -3.133 -6.113 1.00 0.00 H new ATOM 1618 N VAL A 105 90.000 -6.635 -3.028 1.00 0.00 N ATOM 1619 CA VAL A 105 90.005 -7.984 -2.398 1.00 0.00 C ATOM 1620 C VAL A 105 89.785 -9.033 -3.494 1.00 0.00 C ATOM 1621 O VAL A 105 90.320 -10.122 -3.444 1.00 0.00 O ATOM 1622 CB VAL A 105 88.887 -8.065 -1.359 1.00 0.00 C ATOM 1623 CG1 VAL A 105 87.562 -8.361 -2.063 1.00 0.00 C ATOM 1624 CG2 VAL A 105 89.193 -9.180 -0.357 1.00 0.00 C ATOM 0 H VAL A 105 89.209 -6.039 -2.785 1.00 0.00 H new ATOM 0 HA VAL A 105 90.958 -8.167 -1.901 1.00 0.00 H new ATOM 0 HB VAL A 105 88.816 -7.115 -0.829 1.00 0.00 H new ATOM 0 HG11 VAL A 105 86.763 -8.419 -1.324 1.00 0.00 H new ATOM 0 HG12 VAL A 105 87.342 -7.565 -2.774 1.00 0.00 H new ATOM 0 HG13 VAL A 105 87.636 -9.310 -2.593 1.00 0.00 H new ATOM 0 HG21 VAL A 105 88.394 -9.234 0.382 1.00 0.00 H new ATOM 0 HG22 VAL A 105 89.266 -10.132 -0.883 1.00 0.00 H new ATOM 0 HG23 VAL A 105 90.137 -8.969 0.145 1.00 0.00 H new ATOM 1634 N TYR A 106 89.004 -8.701 -4.491 1.00 0.00 N ATOM 1635 CA TYR A 106 88.750 -9.668 -5.602 1.00 0.00 C ATOM 1636 C TYR A 106 89.509 -9.250 -6.863 1.00 0.00 C ATOM 1637 O TYR A 106 88.975 -9.277 -7.956 1.00 0.00 O ATOM 1638 CB TYR A 106 87.253 -9.735 -5.906 1.00 0.00 C ATOM 1639 CG TYR A 106 86.549 -10.442 -4.779 1.00 0.00 C ATOM 1640 CD1 TYR A 106 86.795 -11.799 -4.546 1.00 0.00 C ATOM 1641 CD2 TYR A 106 85.651 -9.743 -3.963 1.00 0.00 C ATOM 1642 CE1 TYR A 106 86.144 -12.460 -3.499 1.00 0.00 C ATOM 1643 CE2 TYR A 106 85.000 -10.405 -2.915 1.00 0.00 C ATOM 1644 CZ TYR A 106 85.246 -11.762 -2.684 1.00 0.00 C ATOM 1645 OH TYR A 106 84.608 -12.414 -1.650 1.00 0.00 O ATOM 0 H TYR A 106 88.531 -7.802 -4.584 1.00 0.00 H new ATOM 0 HA TYR A 106 89.101 -10.651 -5.288 1.00 0.00 H new ATOM 0 HB2 TYR A 106 86.850 -8.730 -6.029 1.00 0.00 H new ATOM 0 HB3 TYR A 106 87.084 -10.263 -6.844 1.00 0.00 H new ATOM 0 HD1 TYR A 106 87.488 -12.337 -5.175 1.00 0.00 H new ATOM 0 HD2 TYR A 106 85.461 -8.695 -4.142 1.00 0.00 H new ATOM 0 HE1 TYR A 106 86.334 -13.508 -3.320 1.00 0.00 H new ATOM 0 HE2 TYR A 106 84.307 -9.867 -2.285 1.00 0.00 H new ATOM 0 HH TYR A 106 84.019 -11.786 -1.181 1.00 0.00 H new ATOM 1655 N ALA A 107 90.753 -8.875 -6.730 1.00 0.00 N ATOM 1656 CA ALA A 107 91.536 -8.469 -7.931 1.00 0.00 C ATOM 1657 C ALA A 107 92.368 -9.656 -8.421 1.00 0.00 C ATOM 1658 O ALA A 107 92.097 -10.234 -9.455 1.00 0.00 O ATOM 1659 CB ALA A 107 92.467 -7.311 -7.567 1.00 0.00 C ATOM 0 H ALA A 107 91.259 -8.833 -5.845 1.00 0.00 H new ATOM 0 HA ALA A 107 90.853 -8.152 -8.719 1.00 0.00 H new ATOM 0 HB1 ALA A 107 93.040 -7.014 -8.446 1.00 0.00 H new ATOM 0 HB2 ALA A 107 91.876 -6.465 -7.217 1.00 0.00 H new ATOM 0 HB3 ALA A 107 93.150 -7.627 -6.779 1.00 0.00 H new