USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 837 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 79 CYS SG : rot -136:sc= 1.57 USER MOD Set 1.2: A 83 HIS : no HD1:sc= -6.03! C(o=-4.5!,f=-7.3!) USER MOD Set 2.1: A 32 GLN :FLIP amide:sc= -3.41! C(o=-4!,f=-3.4!) USER MOD Set 2.2: A 37 SER OG : rot 160:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -0.0761 X(o=-0.076,f=-0.33) USER MOD Single : A 6 ASN : amide:sc= -0.269 K(o=-0.27,f=-3.2!) USER MOD Single : A 7 SER OG : rot 180:sc= -0.479 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc=-0.00408 USER MOD Single : A 20 GLN : amide:sc= -6.41! C(o=-6.4!,f=-12!) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.0473 X(o=-0.047,f=0) USER MOD Single : A 27 GLN : amide:sc= -3.12! C(o=-3.1!,f=-3!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= -2.12! USER MOD Single : A 40 SER OG : rot 180:sc= 0.0105 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 165:sc= 0.00984 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot 95:sc= 0.35 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot -140:sc= 1.26 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot -131:sc= -1.68! USER MOD Single : A 65 SER OG : rot 6:sc= -6.53! USER MOD Single : A 69 CYS SG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 153:sc= -1.17! USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.215 K(o=-0.22,f=-1.7!) USER MOD Single : A 92 TYR OH : rot 180:sc= -3.3! USER MOD Single : A 101 THR OG1 : rot -38:sc= 1.15 USER MOD Single : A 103 GLN : amide:sc= -3.18 K(o=-3.2,f=-4.4!) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 70.792 -15.971 13.180 1.00 0.00 N ATOM 2 CA GLY A 1 69.922 -15.604 12.027 1.00 0.00 C ATOM 3 C GLY A 1 70.127 -14.129 11.682 1.00 0.00 C ATOM 4 O GLY A 1 71.157 -13.737 11.172 1.00 0.00 O ATOM 0 H1 GLY A 1 70.652 -16.975 13.415 1.00 0.00 H new ATOM 0 H2 GLY A 1 71.788 -15.810 12.928 1.00 0.00 H new ATOM 0 H3 GLY A 1 70.543 -15.385 14.003 1.00 0.00 H new ATOM 0 HA2 GLY A 1 70.161 -16.227 11.165 1.00 0.00 H new ATOM 0 HA3 GLY A 1 68.876 -15.789 12.274 1.00 0.00 H new ATOM 10 N SER A 2 69.153 -13.306 11.958 1.00 0.00 N ATOM 11 CA SER A 2 69.294 -11.853 11.648 1.00 0.00 C ATOM 12 C SER A 2 69.433 -11.643 10.138 1.00 0.00 C ATOM 13 O SER A 2 70.298 -10.923 9.679 1.00 0.00 O ATOM 14 CB SER A 2 70.567 -11.418 12.370 1.00 0.00 C ATOM 15 OG SER A 2 70.240 -10.444 13.353 1.00 0.00 O ATOM 0 H SER A 2 68.266 -13.575 12.384 1.00 0.00 H new ATOM 0 HA SER A 2 68.426 -11.276 11.968 1.00 0.00 H new ATOM 0 HB2 SER A 2 71.045 -12.278 12.839 1.00 0.00 H new ATOM 0 HB3 SER A 2 71.281 -11.006 11.657 1.00 0.00 H new ATOM 0 HG SER A 2 71.055 -10.164 13.820 1.00 0.00 H new ATOM 21 N LEU A 3 68.585 -12.262 9.363 1.00 0.00 N ATOM 22 CA LEU A 3 68.667 -12.093 7.884 1.00 0.00 C ATOM 23 C LEU A 3 68.205 -10.688 7.490 1.00 0.00 C ATOM 24 O LEU A 3 67.032 -10.445 7.286 1.00 0.00 O ATOM 25 CB LEU A 3 67.720 -13.148 7.311 1.00 0.00 C ATOM 26 CG LEU A 3 68.526 -14.361 6.845 1.00 0.00 C ATOM 27 CD1 LEU A 3 69.387 -13.971 5.642 1.00 0.00 C ATOM 28 CD2 LEU A 3 69.430 -14.840 7.983 1.00 0.00 C ATOM 0 H LEU A 3 67.840 -12.877 9.689 1.00 0.00 H new ATOM 0 HA LEU A 3 69.684 -12.212 7.509 1.00 0.00 H new ATOM 0 HB2 LEU A 3 66.995 -13.449 8.067 1.00 0.00 H new ATOM 0 HB3 LEU A 3 67.156 -12.731 6.477 1.00 0.00 H new ATOM 0 HG LEU A 3 67.844 -15.162 6.560 1.00 0.00 H new ATOM 0 HD11 LEU A 3 69.961 -14.836 5.310 1.00 0.00 H new ATOM 0 HD12 LEU A 3 68.745 -13.629 4.831 1.00 0.00 H new ATOM 0 HD13 LEU A 3 70.069 -13.170 5.927 1.00 0.00 H new ATOM 0 HD21 LEU A 3 70.005 -15.705 7.652 1.00 0.00 H new ATOM 0 HD22 LEU A 3 70.112 -14.039 8.268 1.00 0.00 H new ATOM 0 HD23 LEU A 3 68.818 -15.118 8.841 1.00 0.00 H new ATOM 40 N GLN A 4 69.116 -9.760 7.383 1.00 0.00 N ATOM 41 CA GLN A 4 68.723 -8.372 7.005 1.00 0.00 C ATOM 42 C GLN A 4 69.965 -7.542 6.668 1.00 0.00 C ATOM 43 O GLN A 4 70.063 -6.958 5.607 1.00 0.00 O ATOM 44 CB GLN A 4 68.021 -7.810 8.242 1.00 0.00 C ATOM 45 CG GLN A 4 67.422 -6.443 7.910 1.00 0.00 C ATOM 46 CD GLN A 4 68.305 -5.343 8.501 1.00 0.00 C ATOM 47 OE1 GLN A 4 69.132 -4.776 7.813 1.00 0.00 O ATOM 48 NE2 GLN A 4 68.167 -5.014 9.757 1.00 0.00 N ATOM 0 H GLN A 4 70.114 -9.902 7.541 1.00 0.00 H new ATOM 0 HA GLN A 4 68.080 -8.350 6.125 1.00 0.00 H new ATOM 0 HB2 GLN A 4 67.237 -8.493 8.570 1.00 0.00 H new ATOM 0 HB3 GLN A 4 68.729 -7.718 9.065 1.00 0.00 H new ATOM 0 HG2 GLN A 4 67.344 -6.321 6.830 1.00 0.00 H new ATOM 0 HG3 GLN A 4 66.412 -6.369 8.313 1.00 0.00 H new ATOM 0 HE21 GLN A 4 67.474 -5.489 10.335 1.00 0.00 H new ATOM 0 HE22 GLN A 4 68.752 -4.282 10.160 1.00 0.00 H new ATOM 57 N ASP A 5 70.914 -7.484 7.561 1.00 0.00 N ATOM 58 CA ASP A 5 72.147 -6.691 7.287 1.00 0.00 C ATOM 59 C ASP A 5 73.040 -7.435 6.289 1.00 0.00 C ATOM 60 O ASP A 5 73.774 -6.834 5.529 1.00 0.00 O ATOM 61 CB ASP A 5 72.848 -6.562 8.640 1.00 0.00 C ATOM 62 CG ASP A 5 74.179 -5.831 8.457 1.00 0.00 C ATOM 63 OD1 ASP A 5 74.183 -4.804 7.799 1.00 0.00 O ATOM 64 OD2 ASP A 5 75.172 -6.311 8.979 1.00 0.00 O ATOM 0 H ASP A 5 70.890 -7.951 8.468 1.00 0.00 H new ATOM 0 HA ASP A 5 71.923 -5.717 6.852 1.00 0.00 H new ATOM 0 HB2 ASP A 5 72.214 -6.016 9.339 1.00 0.00 H new ATOM 0 HB3 ASP A 5 73.019 -7.549 9.069 1.00 0.00 H new ATOM 69 N ASN A 6 72.981 -8.738 6.285 1.00 0.00 N ATOM 70 CA ASN A 6 73.824 -9.521 5.335 1.00 0.00 C ATOM 71 C ASN A 6 72.936 -10.221 4.302 1.00 0.00 C ATOM 72 O ASN A 6 71.729 -10.081 4.311 1.00 0.00 O ATOM 73 CB ASN A 6 74.554 -10.546 6.206 1.00 0.00 C ATOM 74 CG ASN A 6 75.967 -10.042 6.508 1.00 0.00 C ATOM 75 OD1 ASN A 6 76.461 -9.147 5.850 1.00 0.00 O ATOM 76 ND2 ASN A 6 76.645 -10.582 7.484 1.00 0.00 N ATOM 0 H ASN A 6 72.386 -9.295 6.898 1.00 0.00 H new ATOM 0 HA ASN A 6 74.521 -8.893 4.780 1.00 0.00 H new ATOM 0 HB2 ASN A 6 74.007 -10.706 7.135 1.00 0.00 H new ATOM 0 HB3 ASN A 6 74.601 -11.507 5.694 1.00 0.00 H new ATOM 0 HD21 ASN A 6 77.587 -10.253 7.693 1.00 0.00 H new ATOM 0 HD22 ASN A 6 76.232 -11.333 8.037 1.00 0.00 H new ATOM 83 N SER A 7 73.523 -10.971 3.409 1.00 0.00 N ATOM 84 CA SER A 7 72.708 -11.675 2.376 1.00 0.00 C ATOM 85 C SER A 7 72.708 -13.183 2.636 1.00 0.00 C ATOM 86 O SER A 7 72.673 -13.628 3.766 1.00 0.00 O ATOM 87 CB SER A 7 73.398 -11.360 1.050 1.00 0.00 C ATOM 88 OG SER A 7 74.475 -12.265 0.854 1.00 0.00 O ATOM 0 H SER A 7 74.529 -11.127 3.349 1.00 0.00 H new ATOM 0 HA SER A 7 71.666 -11.354 2.382 1.00 0.00 H new ATOM 0 HB2 SER A 7 72.686 -11.441 0.228 1.00 0.00 H new ATOM 0 HB3 SER A 7 73.766 -10.334 1.053 1.00 0.00 H new ATOM 0 HG SER A 7 74.919 -12.066 0.003 1.00 0.00 H new ATOM 94 N SER A 8 72.747 -13.973 1.598 1.00 0.00 N ATOM 95 CA SER A 8 72.751 -15.452 1.788 1.00 0.00 C ATOM 96 C SER A 8 74.182 -15.947 2.013 1.00 0.00 C ATOM 97 O SER A 8 74.423 -16.860 2.777 1.00 0.00 O ATOM 98 CB SER A 8 72.183 -16.020 0.488 1.00 0.00 C ATOM 99 OG SER A 8 71.525 -17.251 0.762 1.00 0.00 O ATOM 0 H SER A 8 72.776 -13.659 0.628 1.00 0.00 H new ATOM 0 HA SER A 8 72.167 -15.761 2.655 1.00 0.00 H new ATOM 0 HB2 SER A 8 71.484 -15.312 0.043 1.00 0.00 H new ATOM 0 HB3 SER A 8 72.984 -16.175 -0.235 1.00 0.00 H new ATOM 0 HG SER A 8 71.158 -17.618 -0.069 1.00 0.00 H new ATOM 105 N TYR A 9 75.130 -15.345 1.353 1.00 0.00 N ATOM 106 CA TYR A 9 76.547 -15.768 1.524 1.00 0.00 C ATOM 107 C TYR A 9 77.422 -14.554 1.849 1.00 0.00 C ATOM 108 O TYR A 9 77.992 -13.944 0.966 1.00 0.00 O ATOM 109 CB TYR A 9 76.947 -16.376 0.179 1.00 0.00 C ATOM 110 CG TYR A 9 76.113 -17.607 -0.089 1.00 0.00 C ATOM 111 CD1 TYR A 9 76.074 -18.645 0.851 1.00 0.00 C ATOM 112 CD2 TYR A 9 75.381 -17.711 -1.277 1.00 0.00 C ATOM 113 CE1 TYR A 9 75.302 -19.786 0.600 1.00 0.00 C ATOM 114 CE2 TYR A 9 74.609 -18.853 -1.527 1.00 0.00 C ATOM 115 CZ TYR A 9 74.569 -19.890 -0.588 1.00 0.00 C ATOM 116 OH TYR A 9 73.809 -21.014 -0.834 1.00 0.00 O ATOM 0 H TYR A 9 74.984 -14.575 0.700 1.00 0.00 H new ATOM 0 HA TYR A 9 76.671 -16.478 2.342 1.00 0.00 H new ATOM 0 HB2 TYR A 9 76.804 -15.647 -0.618 1.00 0.00 H new ATOM 0 HB3 TYR A 9 78.005 -16.636 0.186 1.00 0.00 H new ATOM 0 HD1 TYR A 9 76.639 -18.565 1.768 1.00 0.00 H new ATOM 0 HD2 TYR A 9 75.411 -16.911 -2.001 1.00 0.00 H new ATOM 0 HE1 TYR A 9 75.272 -20.587 1.324 1.00 0.00 H new ATOM 0 HE2 TYR A 9 74.045 -18.933 -2.444 1.00 0.00 H new ATOM 0 HH TYR A 9 73.363 -20.924 -1.702 1.00 0.00 H new ATOM 126 N PRO A 10 77.495 -14.246 3.116 1.00 0.00 N ATOM 127 CA PRO A 10 78.306 -13.090 3.574 1.00 0.00 C ATOM 128 C PRO A 10 79.763 -13.255 3.134 1.00 0.00 C ATOM 129 O PRO A 10 80.179 -14.316 2.713 1.00 0.00 O ATOM 130 CB PRO A 10 78.192 -13.134 5.098 1.00 0.00 C ATOM 131 CG PRO A 10 77.008 -14.002 5.392 1.00 0.00 C ATOM 132 CD PRO A 10 76.834 -14.937 4.225 1.00 0.00 C ATOM 0 HA PRO A 10 77.963 -12.142 3.159 1.00 0.00 H new ATOM 0 HB2 PRO A 10 79.098 -13.542 5.547 1.00 0.00 H new ATOM 0 HB3 PRO A 10 78.056 -12.134 5.509 1.00 0.00 H new ATOM 0 HG2 PRO A 10 77.163 -14.563 6.314 1.00 0.00 H new ATOM 0 HG3 PRO A 10 76.114 -13.396 5.535 1.00 0.00 H new ATOM 0 HD2 PRO A 10 77.291 -15.907 4.420 1.00 0.00 H new ATOM 0 HD3 PRO A 10 75.780 -15.117 4.012 1.00 0.00 H new ATOM 140 N ASP A 11 80.542 -12.212 3.228 1.00 0.00 N ATOM 141 CA ASP A 11 81.969 -12.307 2.817 1.00 0.00 C ATOM 142 C ASP A 11 82.885 -11.990 4.001 1.00 0.00 C ATOM 143 O ASP A 11 83.379 -10.888 4.139 1.00 0.00 O ATOM 144 CB ASP A 11 82.135 -11.262 1.713 1.00 0.00 C ATOM 145 CG ASP A 11 82.074 -11.947 0.347 1.00 0.00 C ATOM 146 OD1 ASP A 11 82.526 -13.077 0.253 1.00 0.00 O ATOM 147 OD2 ASP A 11 81.578 -11.331 -0.582 1.00 0.00 O ATOM 0 H ASP A 11 80.250 -11.297 3.572 1.00 0.00 H new ATOM 0 HA ASP A 11 82.233 -13.307 2.473 1.00 0.00 H new ATOM 0 HB2 ASP A 11 81.350 -10.509 1.789 1.00 0.00 H new ATOM 0 HB3 ASP A 11 83.087 -10.743 1.829 1.00 0.00 H new ATOM 152 N GLU A 12 83.115 -12.948 4.856 1.00 0.00 N ATOM 153 CA GLU A 12 84.001 -12.704 6.032 1.00 0.00 C ATOM 154 C GLU A 12 85.480 -12.730 5.621 1.00 0.00 C ATOM 155 O GLU A 12 86.262 -11.931 6.096 1.00 0.00 O ATOM 156 CB GLU A 12 83.695 -13.844 7.006 1.00 0.00 C ATOM 157 CG GLU A 12 82.181 -14.019 7.127 1.00 0.00 C ATOM 158 CD GLU A 12 81.787 -14.052 8.604 1.00 0.00 C ATOM 159 OE1 GLU A 12 82.114 -13.108 9.305 1.00 0.00 O ATOM 160 OE2 GLU A 12 81.165 -15.020 9.009 1.00 0.00 O ATOM 0 H GLU A 12 82.728 -13.890 4.792 1.00 0.00 H new ATOM 0 HA GLU A 12 83.821 -11.725 6.476 1.00 0.00 H new ATOM 0 HB2 GLU A 12 84.152 -14.769 6.655 1.00 0.00 H new ATOM 0 HB3 GLU A 12 84.126 -13.627 7.983 1.00 0.00 H new ATOM 0 HG2 GLU A 12 81.668 -13.201 6.621 1.00 0.00 H new ATOM 0 HG3 GLU A 12 81.871 -14.941 6.636 1.00 0.00 H new ATOM 167 N PRO A 13 85.825 -13.649 4.752 1.00 0.00 N ATOM 168 CA PRO A 13 87.233 -13.759 4.294 1.00 0.00 C ATOM 169 C PRO A 13 87.755 -12.399 3.822 1.00 0.00 C ATOM 170 O PRO A 13 88.890 -12.042 4.069 1.00 0.00 O ATOM 171 CB PRO A 13 87.165 -14.749 3.134 1.00 0.00 C ATOM 172 CG PRO A 13 85.913 -15.535 3.355 1.00 0.00 C ATOM 173 CD PRO A 13 84.960 -14.657 4.125 1.00 0.00 C ATOM 0 HA PRO A 13 87.910 -14.085 5.083 1.00 0.00 H new ATOM 0 HB2 PRO A 13 87.139 -14.230 2.176 1.00 0.00 H new ATOM 0 HB3 PRO A 13 88.040 -15.399 3.121 1.00 0.00 H new ATOM 0 HG2 PRO A 13 85.475 -15.835 2.403 1.00 0.00 H new ATOM 0 HG3 PRO A 13 86.126 -16.449 3.910 1.00 0.00 H new ATOM 0 HD2 PRO A 13 84.223 -14.196 3.467 1.00 0.00 H new ATOM 0 HD3 PRO A 13 84.408 -15.228 4.872 1.00 0.00 H new ATOM 181 N TRP A 14 86.943 -11.637 3.142 1.00 0.00 N ATOM 182 CA TRP A 14 87.406 -10.305 2.657 1.00 0.00 C ATOM 183 C TRP A 14 88.740 -10.452 1.922 1.00 0.00 C ATOM 184 O TRP A 14 89.661 -9.686 2.128 1.00 0.00 O ATOM 185 CB TRP A 14 87.582 -9.459 3.918 1.00 0.00 C ATOM 186 CG TRP A 14 86.241 -9.111 4.480 1.00 0.00 C ATOM 187 CD1 TRP A 14 85.890 -9.234 5.780 1.00 0.00 C ATOM 188 CD2 TRP A 14 85.071 -8.587 3.787 1.00 0.00 C ATOM 189 NE1 TRP A 14 84.580 -8.818 5.931 1.00 0.00 N ATOM 190 CE2 TRP A 14 84.031 -8.411 4.730 1.00 0.00 C ATOM 191 CE3 TRP A 14 84.813 -8.251 2.445 1.00 0.00 C ATOM 192 CZ2 TRP A 14 82.781 -7.919 4.356 1.00 0.00 C ATOM 193 CZ3 TRP A 14 83.556 -7.755 2.066 1.00 0.00 C ATOM 194 CH2 TRP A 14 82.542 -7.589 3.019 1.00 0.00 C ATOM 0 H TRP A 14 85.981 -11.878 2.901 1.00 0.00 H new ATOM 0 HA TRP A 14 86.702 -9.851 1.960 1.00 0.00 H new ATOM 0 HB2 TRP A 14 88.166 -10.007 4.657 1.00 0.00 H new ATOM 0 HB3 TRP A 14 88.136 -8.550 3.684 1.00 0.00 H new ATOM 0 HD1 TRP A 14 86.529 -9.598 6.571 1.00 0.00 H new ATOM 0 HE1 TRP A 14 84.080 -8.812 6.820 1.00 0.00 H new ATOM 0 HE3 TRP A 14 85.587 -8.376 1.702 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 82.003 -7.794 5.094 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 83.369 -7.500 1.033 1.00 0.00 H new ATOM 0 HH2 TRP A 14 81.577 -7.207 2.721 1.00 0.00 H new ATOM 205 N ARG A 15 88.853 -11.430 1.067 1.00 0.00 N ATOM 206 CA ARG A 15 90.128 -11.623 0.321 1.00 0.00 C ATOM 207 C ARG A 15 91.299 -11.735 1.301 1.00 0.00 C ATOM 208 O ARG A 15 91.118 -12.078 2.453 1.00 0.00 O ATOM 209 CB ARG A 15 90.265 -10.371 -0.545 1.00 0.00 C ATOM 210 CG ARG A 15 90.048 -10.735 -2.015 1.00 0.00 C ATOM 211 CD ARG A 15 91.401 -10.975 -2.688 1.00 0.00 C ATOM 212 NE ARG A 15 91.245 -12.267 -3.412 1.00 0.00 N ATOM 213 CZ ARG A 15 92.298 -12.978 -3.710 1.00 0.00 C ATOM 214 NH1 ARG A 15 92.873 -13.708 -2.794 1.00 0.00 N ATOM 215 NH2 ARG A 15 92.775 -12.959 -4.925 1.00 0.00 N ATOM 0 H ARG A 15 88.118 -12.104 0.853 1.00 0.00 H new ATOM 0 HA ARG A 15 90.129 -12.534 -0.277 1.00 0.00 H new ATOM 0 HB2 ARG A 15 89.537 -9.621 -0.235 1.00 0.00 H new ATOM 0 HB3 ARG A 15 91.253 -9.931 -0.411 1.00 0.00 H new ATOM 0 HG2 ARG A 15 89.429 -11.629 -2.091 1.00 0.00 H new ATOM 0 HG3 ARG A 15 89.514 -9.933 -2.524 1.00 0.00 H new ATOM 0 HD2 ARG A 15 91.650 -10.165 -3.374 1.00 0.00 H new ATOM 0 HD3 ARG A 15 92.204 -11.029 -1.953 1.00 0.00 H new ATOM 0 HE ARG A 15 90.316 -12.596 -3.675 1.00 0.00 H new ATOM 0 HH11 ARG A 15 92.499 -13.723 -1.845 1.00 0.00 H new ATOM 0 HH12 ARG A 15 93.696 -14.264 -3.027 1.00 0.00 H new ATOM 0 HH21 ARG A 15 92.325 -12.389 -5.641 1.00 0.00 H new ATOM 0 HH22 ARG A 15 93.598 -13.514 -5.159 1.00 0.00 H new ATOM 229 N ILE A 16 92.495 -11.450 0.848 1.00 0.00 N ATOM 230 CA ILE A 16 93.695 -11.532 1.728 1.00 0.00 C ATOM 231 C ILE A 16 93.557 -12.680 2.730 1.00 0.00 C ATOM 232 O ILE A 16 92.966 -13.702 2.443 1.00 0.00 O ATOM 233 CB ILE A 16 93.773 -10.163 2.426 1.00 0.00 C ATOM 234 CG1 ILE A 16 95.226 -9.879 2.817 1.00 0.00 C ATOM 235 CG2 ILE A 16 92.891 -10.132 3.683 1.00 0.00 C ATOM 236 CD1 ILE A 16 95.734 -8.660 2.045 1.00 0.00 C ATOM 0 H ILE A 16 92.690 -11.160 -0.110 1.00 0.00 H new ATOM 0 HA ILE A 16 94.607 -11.742 1.169 1.00 0.00 H new ATOM 0 HB ILE A 16 93.412 -9.401 1.735 1.00 0.00 H new ATOM 0 HG12 ILE A 16 95.296 -9.698 3.890 1.00 0.00 H new ATOM 0 HG13 ILE A 16 95.849 -10.746 2.598 1.00 0.00 H new ATOM 0 HG21 ILE A 16 92.966 -9.153 4.156 1.00 0.00 H new ATOM 0 HG22 ILE A 16 91.854 -10.323 3.405 1.00 0.00 H new ATOM 0 HG23 ILE A 16 93.226 -10.899 4.382 1.00 0.00 H new ATOM 0 HD11 ILE A 16 96.768 -8.458 2.324 1.00 0.00 H new ATOM 0 HD12 ILE A 16 95.679 -8.858 0.975 1.00 0.00 H new ATOM 0 HD13 ILE A 16 95.118 -7.794 2.286 1.00 0.00 H new ATOM 248 N THR A 17 94.101 -12.521 3.898 1.00 0.00 N ATOM 249 CA THR A 17 94.008 -13.602 4.919 1.00 0.00 C ATOM 250 C THR A 17 94.528 -13.104 6.268 1.00 0.00 C ATOM 251 O THR A 17 95.665 -13.334 6.630 1.00 0.00 O ATOM 252 CB THR A 17 94.893 -14.728 4.384 1.00 0.00 C ATOM 253 OG1 THR A 17 95.036 -15.730 5.381 1.00 0.00 O ATOM 254 CG2 THR A 17 96.268 -14.166 4.020 1.00 0.00 C ATOM 0 H THR A 17 94.609 -11.687 4.194 1.00 0.00 H new ATOM 0 HA THR A 17 92.981 -13.931 5.079 1.00 0.00 H new ATOM 0 HB THR A 17 94.434 -15.163 3.496 1.00 0.00 H new ATOM 0 HG1 THR A 17 95.602 -16.453 5.039 1.00 0.00 H new ATOM 0 HG21 THR A 17 96.900 -14.968 3.638 1.00 0.00 H new ATOM 0 HG22 THR A 17 96.156 -13.397 3.255 1.00 0.00 H new ATOM 0 HG23 THR A 17 96.730 -13.731 4.907 1.00 0.00 H new ATOM 262 N GLU A 18 93.703 -12.425 7.016 1.00 0.00 N ATOM 263 CA GLU A 18 94.148 -11.916 8.342 1.00 0.00 C ATOM 264 C GLU A 18 95.399 -11.046 8.186 1.00 0.00 C ATOM 265 O GLU A 18 96.091 -10.759 9.144 1.00 0.00 O ATOM 266 CB GLU A 18 94.461 -13.174 9.147 1.00 0.00 C ATOM 267 CG GLU A 18 93.336 -13.432 10.150 1.00 0.00 C ATOM 268 CD GLU A 18 93.896 -13.371 11.572 1.00 0.00 C ATOM 269 OE1 GLU A 18 94.559 -14.316 11.967 1.00 0.00 O ATOM 270 OE2 GLU A 18 93.652 -12.382 12.242 1.00 0.00 O ATOM 0 H GLU A 18 92.740 -12.201 6.766 1.00 0.00 H new ATOM 0 HA GLU A 18 93.396 -11.293 8.826 1.00 0.00 H new ATOM 0 HB2 GLU A 18 94.570 -14.028 8.479 1.00 0.00 H new ATOM 0 HB3 GLU A 18 95.410 -13.056 9.671 1.00 0.00 H new ATOM 0 HG2 GLU A 18 92.547 -12.690 10.026 1.00 0.00 H new ATOM 0 HG3 GLU A 18 92.887 -14.408 9.966 1.00 0.00 H new ATOM 277 N GLU A 19 95.694 -10.622 6.987 1.00 0.00 N ATOM 278 CA GLU A 19 96.894 -9.770 6.773 1.00 0.00 C ATOM 279 C GLU A 19 96.473 -8.305 6.651 1.00 0.00 C ATOM 280 O GLU A 19 97.262 -7.403 6.853 1.00 0.00 O ATOM 281 CB GLU A 19 97.509 -10.266 5.463 1.00 0.00 C ATOM 282 CG GLU A 19 98.629 -11.262 5.768 1.00 0.00 C ATOM 283 CD GLU A 19 99.657 -11.236 4.635 1.00 0.00 C ATOM 284 OE1 GLU A 19 99.326 -11.686 3.551 1.00 0.00 O ATOM 285 OE2 GLU A 19 100.759 -10.766 4.871 1.00 0.00 O ATOM 0 H GLU A 19 95.154 -10.830 6.147 1.00 0.00 H new ATOM 0 HA GLU A 19 97.603 -9.833 7.599 1.00 0.00 H new ATOM 0 HB2 GLU A 19 96.745 -10.740 4.847 1.00 0.00 H new ATOM 0 HB3 GLU A 19 97.902 -9.425 4.892 1.00 0.00 H new ATOM 0 HG2 GLU A 19 99.108 -11.009 6.714 1.00 0.00 H new ATOM 0 HG3 GLU A 19 98.218 -12.266 5.878 1.00 0.00 H new ATOM 292 N GLN A 20 95.231 -8.063 6.330 1.00 0.00 N ATOM 293 CA GLN A 20 94.756 -6.660 6.205 1.00 0.00 C ATOM 294 C GLN A 20 93.559 -6.429 7.129 1.00 0.00 C ATOM 295 O GLN A 20 93.318 -5.331 7.584 1.00 0.00 O ATOM 296 CB GLN A 20 94.358 -6.492 4.735 1.00 0.00 C ATOM 297 CG GLN A 20 92.968 -7.088 4.494 1.00 0.00 C ATOM 298 CD GLN A 20 92.658 -7.063 2.994 1.00 0.00 C ATOM 299 OE1 GLN A 20 93.556 -7.006 2.178 1.00 0.00 O ATOM 300 NE2 GLN A 20 91.417 -7.100 2.593 1.00 0.00 N ATOM 0 H GLN A 20 94.526 -8.778 6.149 1.00 0.00 H new ATOM 0 HA GLN A 20 95.520 -5.938 6.492 1.00 0.00 H new ATOM 0 HB2 GLN A 20 94.360 -5.435 4.468 1.00 0.00 H new ATOM 0 HB3 GLN A 20 95.089 -6.984 4.094 1.00 0.00 H new ATOM 0 HG2 GLN A 20 92.929 -8.111 4.868 1.00 0.00 H new ATOM 0 HG3 GLN A 20 92.216 -6.520 5.042 1.00 0.00 H new ATOM 0 HE21 GLN A 20 90.661 -7.148 3.277 1.00 0.00 H new ATOM 0 HE22 GLN A 20 91.202 -7.081 1.596 1.00 0.00 H new ATOM 309 N ARG A 21 92.810 -7.460 7.415 1.00 0.00 N ATOM 310 CA ARG A 21 91.635 -7.297 8.316 1.00 0.00 C ATOM 311 C ARG A 21 92.108 -6.861 9.705 1.00 0.00 C ATOM 312 O ARG A 21 91.399 -6.196 10.434 1.00 0.00 O ATOM 313 CB ARG A 21 90.985 -8.679 8.379 1.00 0.00 C ATOM 314 CG ARG A 21 89.468 -8.524 8.502 1.00 0.00 C ATOM 315 CD ARG A 21 89.079 -8.477 9.982 1.00 0.00 C ATOM 316 NE ARG A 21 88.366 -9.760 10.233 1.00 0.00 N ATOM 317 CZ ARG A 21 87.067 -9.817 10.114 1.00 0.00 C ATOM 318 NH1 ARG A 21 86.479 -9.235 9.105 1.00 0.00 N ATOM 319 NH2 ARG A 21 86.358 -10.457 11.002 1.00 0.00 N ATOM 0 H ARG A 21 92.961 -8.406 7.064 1.00 0.00 H new ATOM 0 HA ARG A 21 90.937 -6.540 7.959 1.00 0.00 H new ATOM 0 HB2 ARG A 21 91.232 -9.250 7.484 1.00 0.00 H new ATOM 0 HB3 ARG A 21 91.374 -9.237 9.230 1.00 0.00 H new ATOM 0 HG2 ARG A 21 89.143 -7.613 8.000 1.00 0.00 H new ATOM 0 HG3 ARG A 21 88.965 -9.356 8.009 1.00 0.00 H new ATOM 0 HD2 ARG A 21 89.959 -8.383 10.619 1.00 0.00 H new ATOM 0 HD3 ARG A 21 88.439 -7.621 10.195 1.00 0.00 H new ATOM 0 HE ARG A 21 88.892 -10.593 10.498 1.00 0.00 H new ATOM 0 HH11 ARG A 21 87.034 -8.736 8.410 1.00 0.00 H new ATOM 0 HH12 ARG A 21 85.464 -9.279 9.011 1.00 0.00 H new ATOM 0 HH21 ARG A 21 86.818 -10.913 11.790 1.00 0.00 H new ATOM 0 HH22 ARG A 21 85.343 -10.501 10.909 1.00 0.00 H new ATOM 333 N GLU A 22 93.306 -7.227 10.069 1.00 0.00 N ATOM 334 CA GLU A 22 93.831 -6.830 11.406 1.00 0.00 C ATOM 335 C GLU A 22 94.252 -5.358 11.382 1.00 0.00 C ATOM 336 O GLU A 22 94.111 -4.645 12.355 1.00 0.00 O ATOM 337 CB GLU A 22 95.042 -7.734 11.643 1.00 0.00 C ATOM 338 CG GLU A 22 94.578 -9.067 12.235 1.00 0.00 C ATOM 339 CD GLU A 22 95.620 -9.572 13.234 1.00 0.00 C ATOM 340 OE1 GLU A 22 96.722 -9.875 12.808 1.00 0.00 O ATOM 341 OE2 GLU A 22 95.298 -9.649 14.408 1.00 0.00 O ATOM 0 H GLU A 22 93.944 -7.783 9.499 1.00 0.00 H new ATOM 0 HA GLU A 22 93.087 -6.938 12.195 1.00 0.00 H new ATOM 0 HB2 GLU A 22 95.570 -7.905 10.705 1.00 0.00 H new ATOM 0 HB3 GLU A 22 95.744 -7.248 12.320 1.00 0.00 H new ATOM 0 HG2 GLU A 22 93.615 -8.942 12.730 1.00 0.00 H new ATOM 0 HG3 GLU A 22 94.435 -9.800 11.441 1.00 0.00 H new ATOM 348 N TYR A 23 94.764 -4.899 10.272 1.00 0.00 N ATOM 349 CA TYR A 23 95.190 -3.474 10.180 1.00 0.00 C ATOM 350 C TYR A 23 93.983 -2.581 9.880 1.00 0.00 C ATOM 351 O TYR A 23 94.012 -1.385 10.100 1.00 0.00 O ATOM 352 CB TYR A 23 96.190 -3.433 9.025 1.00 0.00 C ATOM 353 CG TYR A 23 97.344 -2.529 9.388 1.00 0.00 C ATOM 354 CD1 TYR A 23 97.154 -1.143 9.456 1.00 0.00 C ATOM 355 CD2 TYR A 23 98.604 -3.078 9.657 1.00 0.00 C ATOM 356 CE1 TYR A 23 98.225 -0.306 9.792 1.00 0.00 C ATOM 357 CE2 TYR A 23 99.674 -2.240 9.993 1.00 0.00 C ATOM 358 CZ TYR A 23 99.485 -0.855 10.061 1.00 0.00 C ATOM 359 OH TYR A 23 100.540 -0.030 10.391 1.00 0.00 O ATOM 0 H TYR A 23 94.905 -5.450 9.425 1.00 0.00 H new ATOM 0 HA TYR A 23 95.629 -3.112 11.110 1.00 0.00 H new ATOM 0 HB2 TYR A 23 96.555 -4.437 8.810 1.00 0.00 H new ATOM 0 HB3 TYR A 23 95.702 -3.071 8.120 1.00 0.00 H new ATOM 0 HD1 TYR A 23 96.182 -0.720 9.249 1.00 0.00 H new ATOM 0 HD2 TYR A 23 98.750 -4.147 9.605 1.00 0.00 H new ATOM 0 HE1 TYR A 23 98.079 0.763 9.844 1.00 0.00 H new ATOM 0 HE2 TYR A 23 100.646 -2.663 10.200 1.00 0.00 H new ATOM 0 HH TYR A 23 101.342 -0.571 10.548 1.00 0.00 H new ATOM 369 N TYR A 24 92.918 -3.152 9.387 1.00 0.00 N ATOM 370 CA TYR A 24 91.709 -2.339 9.082 1.00 0.00 C ATOM 371 C TYR A 24 90.889 -2.149 10.359 1.00 0.00 C ATOM 372 O TYR A 24 90.395 -1.074 10.641 1.00 0.00 O ATOM 373 CB TYR A 24 90.926 -3.155 8.050 1.00 0.00 C ATOM 374 CG TYR A 24 91.531 -2.954 6.679 1.00 0.00 C ATOM 375 CD1 TYR A 24 91.753 -1.658 6.196 1.00 0.00 C ATOM 376 CD2 TYR A 24 91.867 -4.062 5.889 1.00 0.00 C ATOM 377 CE1 TYR A 24 92.313 -1.470 4.926 1.00 0.00 C ATOM 378 CE2 TYR A 24 92.426 -3.872 4.619 1.00 0.00 C ATOM 379 CZ TYR A 24 92.649 -2.577 4.138 1.00 0.00 C ATOM 380 OH TYR A 24 93.199 -2.392 2.886 1.00 0.00 O ATOM 0 H TYR A 24 92.834 -4.148 9.182 1.00 0.00 H new ATOM 0 HA TYR A 24 91.953 -1.347 8.702 1.00 0.00 H new ATOM 0 HB2 TYR A 24 90.946 -4.212 8.316 1.00 0.00 H new ATOM 0 HB3 TYR A 24 89.880 -2.847 8.046 1.00 0.00 H new ATOM 0 HD1 TYR A 24 91.492 -0.804 6.803 1.00 0.00 H new ATOM 0 HD2 TYR A 24 91.695 -5.062 6.259 1.00 0.00 H new ATOM 0 HE1 TYR A 24 92.486 -0.471 4.555 1.00 0.00 H new ATOM 0 HE2 TYR A 24 92.685 -4.726 4.010 1.00 0.00 H new ATOM 0 HH TYR A 24 93.374 -3.264 2.473 1.00 0.00 H new ATOM 390 N VAL A 25 90.751 -3.185 11.144 1.00 0.00 N ATOM 391 CA VAL A 25 89.977 -3.062 12.411 1.00 0.00 C ATOM 392 C VAL A 25 90.755 -2.194 13.401 1.00 0.00 C ATOM 393 O VAL A 25 90.188 -1.571 14.277 1.00 0.00 O ATOM 394 CB VAL A 25 89.843 -4.491 12.939 1.00 0.00 C ATOM 395 CG1 VAL A 25 89.299 -4.457 14.368 1.00 0.00 C ATOM 396 CG2 VAL A 25 88.878 -5.274 12.045 1.00 0.00 C ATOM 0 H VAL A 25 91.141 -4.110 10.961 1.00 0.00 H new ATOM 0 HA VAL A 25 89.002 -2.596 12.264 1.00 0.00 H new ATOM 0 HB VAL A 25 90.820 -4.975 12.933 1.00 0.00 H new ATOM 0 HG11 VAL A 25 89.203 -5.475 14.745 1.00 0.00 H new ATOM 0 HG12 VAL A 25 89.984 -3.897 15.005 1.00 0.00 H new ATOM 0 HG13 VAL A 25 88.322 -3.974 14.374 1.00 0.00 H new ATOM 0 HG21 VAL A 25 88.781 -6.293 12.419 1.00 0.00 H new ATOM 0 HG22 VAL A 25 87.901 -4.790 12.052 1.00 0.00 H new ATOM 0 HG23 VAL A 25 89.264 -5.297 11.026 1.00 0.00 H new ATOM 406 N ASN A 26 92.053 -2.146 13.263 1.00 0.00 N ATOM 407 CA ASN A 26 92.870 -1.315 14.190 1.00 0.00 C ATOM 408 C ASN A 26 92.524 0.164 14.009 1.00 0.00 C ATOM 409 O ASN A 26 92.724 0.971 14.895 1.00 0.00 O ATOM 410 CB ASN A 26 94.320 -1.582 13.785 1.00 0.00 C ATOM 411 CG ASN A 26 95.087 -2.155 14.978 1.00 0.00 C ATOM 412 OD1 ASN A 26 96.114 -1.631 15.363 1.00 0.00 O ATOM 413 ND2 ASN A 26 94.629 -3.216 15.583 1.00 0.00 N ATOM 0 H ASN A 26 92.581 -2.647 12.548 1.00 0.00 H new ATOM 0 HA ASN A 26 92.689 -1.559 15.237 1.00 0.00 H new ATOM 0 HB2 ASN A 26 94.352 -2.281 12.949 1.00 0.00 H new ATOM 0 HB3 ASN A 26 94.790 -0.659 13.447 1.00 0.00 H new ATOM 0 HD21 ASN A 26 95.133 -3.606 16.379 1.00 0.00 H new ATOM 0 HD22 ASN A 26 93.767 -3.655 15.260 1.00 0.00 H new ATOM 420 N GLN A 27 92.000 0.525 12.869 1.00 0.00 N ATOM 421 CA GLN A 27 91.636 1.942 12.632 1.00 0.00 C ATOM 422 C GLN A 27 90.235 2.205 13.192 1.00 0.00 C ATOM 423 O GLN A 27 90.022 3.135 13.946 1.00 0.00 O ATOM 424 CB GLN A 27 91.681 2.083 11.108 1.00 0.00 C ATOM 425 CG GLN A 27 90.836 3.269 10.656 1.00 0.00 C ATOM 426 CD GLN A 27 91.749 4.357 10.087 1.00 0.00 C ATOM 427 OE1 GLN A 27 92.270 4.222 8.998 1.00 0.00 O ATOM 428 NE2 GLN A 27 91.967 5.438 10.785 1.00 0.00 N ATOM 0 H GLN A 27 91.809 -0.107 12.091 1.00 0.00 H new ATOM 0 HA GLN A 27 92.298 2.658 13.118 1.00 0.00 H new ATOM 0 HB2 GLN A 27 92.712 2.217 10.780 1.00 0.00 H new ATOM 0 HB3 GLN A 27 91.314 1.169 10.641 1.00 0.00 H new ATOM 0 HG2 GLN A 27 90.117 2.951 9.901 1.00 0.00 H new ATOM 0 HG3 GLN A 27 90.263 3.662 11.496 1.00 0.00 H new ATOM 0 HE21 GLN A 27 91.530 5.551 11.699 1.00 0.00 H new ATOM 0 HE22 GLN A 27 92.575 6.169 10.416 1.00 0.00 H new ATOM 437 N PHE A 28 89.277 1.388 12.843 1.00 0.00 N ATOM 438 CA PHE A 28 87.900 1.593 13.375 1.00 0.00 C ATOM 439 C PHE A 28 87.966 1.758 14.895 1.00 0.00 C ATOM 440 O PHE A 28 87.101 2.354 15.504 1.00 0.00 O ATOM 441 CB PHE A 28 87.130 0.325 12.991 1.00 0.00 C ATOM 442 CG PHE A 28 85.838 0.232 13.780 1.00 0.00 C ATOM 443 CD1 PHE A 28 85.866 -0.028 15.158 1.00 0.00 C ATOM 444 CD2 PHE A 28 84.609 0.396 13.127 1.00 0.00 C ATOM 445 CE1 PHE A 28 84.668 -0.120 15.879 1.00 0.00 C ATOM 446 CE2 PHE A 28 83.413 0.302 13.849 1.00 0.00 C ATOM 447 CZ PHE A 28 83.443 0.044 15.224 1.00 0.00 C ATOM 0 H PHE A 28 89.388 0.592 12.216 1.00 0.00 H new ATOM 0 HA PHE A 28 87.417 2.484 12.974 1.00 0.00 H new ATOM 0 HB2 PHE A 28 86.912 0.334 11.923 1.00 0.00 H new ATOM 0 HB3 PHE A 28 87.745 -0.554 13.183 1.00 0.00 H new ATOM 0 HD1 PHE A 28 86.811 -0.157 15.664 1.00 0.00 H new ATOM 0 HD2 PHE A 28 84.584 0.595 12.066 1.00 0.00 H new ATOM 0 HE1 PHE A 28 84.690 -0.318 16.941 1.00 0.00 H new ATOM 0 HE2 PHE A 28 82.467 0.429 13.344 1.00 0.00 H new ATOM 0 HZ PHE A 28 82.520 -0.029 15.780 1.00 0.00 H new ATOM 457 N ARG A 29 88.991 1.232 15.509 1.00 0.00 N ATOM 458 CA ARG A 29 89.121 1.355 16.988 1.00 0.00 C ATOM 459 C ARG A 29 89.419 2.806 17.371 1.00 0.00 C ATOM 460 O ARG A 29 88.845 3.344 18.297 1.00 0.00 O ATOM 461 CB ARG A 29 90.295 0.450 17.363 1.00 0.00 C ATOM 462 CG ARG A 29 89.838 -0.573 18.405 1.00 0.00 C ATOM 463 CD ARG A 29 90.977 -1.553 18.693 1.00 0.00 C ATOM 464 NE ARG A 29 91.278 -1.380 20.142 1.00 0.00 N ATOM 465 CZ ARG A 29 92.517 -1.314 20.546 1.00 0.00 C ATOM 466 NH1 ARG A 29 93.255 -0.286 20.221 1.00 0.00 N ATOM 467 NH2 ARG A 29 93.018 -2.271 21.277 1.00 0.00 N ATOM 0 H ARG A 29 89.745 0.722 15.049 1.00 0.00 H new ATOM 0 HA ARG A 29 88.206 1.069 17.507 1.00 0.00 H new ATOM 0 HB2 ARG A 29 90.672 -0.061 16.477 1.00 0.00 H new ATOM 0 HB3 ARG A 29 91.116 1.047 17.760 1.00 0.00 H new ATOM 0 HG2 ARG A 29 89.541 -0.065 19.322 1.00 0.00 H new ATOM 0 HG3 ARG A 29 88.963 -1.112 18.041 1.00 0.00 H new ATOM 0 HD2 ARG A 29 90.681 -2.578 18.471 1.00 0.00 H new ATOM 0 HD3 ARG A 29 91.851 -1.334 18.080 1.00 0.00 H new ATOM 0 HE ARG A 29 90.516 -1.313 20.817 1.00 0.00 H new ATOM 0 HH11 ARG A 29 92.863 0.464 19.652 1.00 0.00 H new ATOM 0 HH12 ARG A 29 94.224 -0.233 20.536 1.00 0.00 H new ATOM 0 HH21 ARG A 29 92.441 -3.072 21.533 1.00 0.00 H new ATOM 0 HH22 ARG A 29 93.987 -2.218 21.592 1.00 0.00 H new ATOM 481 N SER A 30 90.309 3.448 16.663 1.00 0.00 N ATOM 482 CA SER A 30 90.629 4.866 16.994 1.00 0.00 C ATOM 483 C SER A 30 89.331 5.644 17.206 1.00 0.00 C ATOM 484 O SER A 30 89.254 6.537 18.026 1.00 0.00 O ATOM 485 CB SER A 30 91.386 5.400 15.778 1.00 0.00 C ATOM 486 OG SER A 30 92.784 5.325 16.026 1.00 0.00 O ATOM 0 H SER A 30 90.825 3.055 15.875 1.00 0.00 H new ATOM 0 HA SER A 30 91.219 4.962 17.905 1.00 0.00 H new ATOM 0 HB2 SER A 30 91.130 4.819 14.892 1.00 0.00 H new ATOM 0 HB3 SER A 30 91.095 6.431 15.578 1.00 0.00 H new ATOM 0 HG SER A 30 93.273 5.665 15.248 1.00 0.00 H new ATOM 492 N LEU A 31 88.306 5.301 16.474 1.00 0.00 N ATOM 493 CA LEU A 31 87.003 6.005 16.628 1.00 0.00 C ATOM 494 C LEU A 31 86.123 5.246 17.623 1.00 0.00 C ATOM 495 O LEU A 31 85.255 5.810 18.260 1.00 0.00 O ATOM 496 CB LEU A 31 86.370 5.992 15.234 1.00 0.00 C ATOM 497 CG LEU A 31 87.434 6.317 14.183 1.00 0.00 C ATOM 498 CD1 LEU A 31 86.840 6.150 12.782 1.00 0.00 C ATOM 499 CD2 LEU A 31 87.906 7.761 14.367 1.00 0.00 C ATOM 0 H LEU A 31 88.316 4.560 15.773 1.00 0.00 H new ATOM 0 HA LEU A 31 87.121 7.021 17.006 1.00 0.00 H new ATOM 0 HB2 LEU A 31 85.932 5.015 15.032 1.00 0.00 H new ATOM 0 HB3 LEU A 31 85.561 6.721 15.184 1.00 0.00 H new ATOM 0 HG LEU A 31 88.279 5.639 14.301 1.00 0.00 H new ATOM 0 HD11 LEU A 31 87.599 6.382 12.035 1.00 0.00 H new ATOM 0 HD12 LEU A 31 86.503 5.122 12.650 1.00 0.00 H new ATOM 0 HD13 LEU A 31 85.994 6.827 12.662 1.00 0.00 H new ATOM 0 HD21 LEU A 31 88.664 7.994 13.619 1.00 0.00 H new ATOM 0 HD22 LEU A 31 87.060 8.438 14.249 1.00 0.00 H new ATOM 0 HD23 LEU A 31 88.331 7.881 15.364 1.00 0.00 H new ATOM 511 N GLN A 32 86.345 3.968 17.759 1.00 0.00 N ATOM 512 CA GLN A 32 85.531 3.163 18.707 1.00 0.00 C ATOM 513 C GLN A 32 86.437 2.487 19.740 1.00 0.00 C ATOM 514 O GLN A 32 87.219 1.620 19.407 1.00 0.00 O ATOM 515 CB GLN A 32 84.831 2.119 17.837 1.00 0.00 C ATOM 516 CG GLN A 32 83.982 2.827 16.780 1.00 0.00 C ATOM 517 CD GLN A 32 82.564 3.024 17.315 1.00 0.00 C ATOM 518 OE1 GLN A 32 82.135 4.231 17.564 1.00 0.00 O flip ATOM 519 NE2 GLN A 32 81.836 2.070 17.508 1.00 0.00 N flip ATOM 0 H GLN A 32 87.059 3.446 17.251 1.00 0.00 H new ATOM 0 HA GLN A 32 84.819 3.772 19.263 1.00 0.00 H new ATOM 0 HB2 GLN A 32 85.568 1.476 17.356 1.00 0.00 H new ATOM 0 HB3 GLN A 32 84.203 1.477 18.454 1.00 0.00 H new ATOM 0 HG2 GLN A 32 84.425 3.791 16.528 1.00 0.00 H new ATOM 0 HG3 GLN A 32 83.958 2.238 15.863 1.00 0.00 H new ATOM 0 HE21 GLN A 32 82.170 1.126 17.314 1.00 0.00 H new ATOM 0 HE22 GLN A 32 80.891 2.213 17.864 1.00 0.00 H new ATOM 528 N PRO A 33 86.299 2.911 20.968 1.00 0.00 N ATOM 529 CA PRO A 33 87.117 2.339 22.065 1.00 0.00 C ATOM 530 C PRO A 33 86.872 0.834 22.179 1.00 0.00 C ATOM 531 O PRO A 33 87.786 0.058 22.382 1.00 0.00 O ATOM 532 CB PRO A 33 86.627 3.062 23.321 1.00 0.00 C ATOM 533 CG PRO A 33 85.359 3.759 22.932 1.00 0.00 C ATOM 534 CD PRO A 33 85.380 3.946 21.440 1.00 0.00 C ATOM 0 HA PRO A 33 88.187 2.470 21.903 1.00 0.00 H new ATOM 0 HB2 PRO A 33 86.450 2.356 24.133 1.00 0.00 H new ATOM 0 HB3 PRO A 33 87.371 3.776 23.675 1.00 0.00 H new ATOM 0 HG2 PRO A 33 84.492 3.171 23.232 1.00 0.00 H new ATOM 0 HG3 PRO A 33 85.281 4.722 23.437 1.00 0.00 H new ATOM 0 HD2 PRO A 33 84.386 3.825 21.008 1.00 0.00 H new ATOM 0 HD3 PRO A 33 85.727 4.943 21.167 1.00 0.00 H new ATOM 542 N ASP A 34 85.646 0.421 22.049 1.00 0.00 N ATOM 543 CA ASP A 34 85.329 -1.032 22.148 1.00 0.00 C ATOM 544 C ASP A 34 86.138 -1.827 21.120 1.00 0.00 C ATOM 545 O ASP A 34 86.346 -1.377 20.010 1.00 0.00 O ATOM 546 CB ASP A 34 83.835 -1.128 21.844 1.00 0.00 C ATOM 547 CG ASP A 34 83.074 -1.481 23.123 1.00 0.00 C ATOM 548 OD1 ASP A 34 83.188 -0.735 24.082 1.00 0.00 O ATOM 549 OD2 ASP A 34 82.392 -2.492 23.124 1.00 0.00 O ATOM 0 H ASP A 34 84.844 1.028 21.878 1.00 0.00 H new ATOM 0 HA ASP A 34 85.576 -1.442 23.127 1.00 0.00 H new ATOM 0 HB2 ASP A 34 83.473 -0.181 21.443 1.00 0.00 H new ATOM 0 HB3 ASP A 34 83.657 -1.886 21.081 1.00 0.00 H new ATOM 554 N PRO A 35 86.568 -2.988 21.532 1.00 0.00 N ATOM 555 CA PRO A 35 87.365 -3.867 20.642 1.00 0.00 C ATOM 556 C PRO A 35 86.515 -4.335 19.455 1.00 0.00 C ATOM 557 O PRO A 35 87.007 -4.510 18.358 1.00 0.00 O ATOM 558 CB PRO A 35 87.750 -5.050 21.530 1.00 0.00 C ATOM 559 CG PRO A 35 86.808 -5.006 22.693 1.00 0.00 C ATOM 560 CD PRO A 35 86.352 -3.581 22.852 1.00 0.00 C ATOM 0 HA PRO A 35 88.235 -3.363 20.221 1.00 0.00 H new ATOM 0 HB2 PRO A 35 87.660 -5.992 20.989 1.00 0.00 H new ATOM 0 HB3 PRO A 35 88.785 -4.970 21.861 1.00 0.00 H new ATOM 0 HG2 PRO A 35 85.956 -5.664 22.522 1.00 0.00 H new ATOM 0 HG3 PRO A 35 87.302 -5.354 23.600 1.00 0.00 H new ATOM 0 HD2 PRO A 35 85.304 -3.528 23.146 1.00 0.00 H new ATOM 0 HD3 PRO A 35 86.925 -3.062 23.621 1.00 0.00 H new ATOM 568 N SER A 36 85.243 -4.538 19.667 1.00 0.00 N ATOM 569 CA SER A 36 84.365 -4.992 18.551 1.00 0.00 C ATOM 570 C SER A 36 82.948 -4.445 18.739 1.00 0.00 C ATOM 571 O SER A 36 82.090 -5.096 19.300 1.00 0.00 O ATOM 572 CB SER A 36 84.366 -6.518 18.641 1.00 0.00 C ATOM 573 OG SER A 36 84.439 -7.064 17.329 1.00 0.00 O ATOM 0 H SER A 36 84.774 -4.409 20.564 1.00 0.00 H new ATOM 0 HA SER A 36 84.716 -4.641 17.580 1.00 0.00 H new ATOM 0 HB2 SER A 36 85.213 -6.859 19.237 1.00 0.00 H new ATOM 0 HB3 SER A 36 83.463 -6.865 19.143 1.00 0.00 H new ATOM 0 HG SER A 36 84.442 -8.043 17.382 1.00 0.00 H new ATOM 579 N SER A 37 82.698 -3.252 18.276 1.00 0.00 N ATOM 580 CA SER A 37 81.338 -2.662 18.431 1.00 0.00 C ATOM 581 C SER A 37 80.870 -2.049 17.108 1.00 0.00 C ATOM 582 O SER A 37 81.347 -2.397 16.046 1.00 0.00 O ATOM 583 CB SER A 37 81.497 -1.577 19.495 1.00 0.00 C ATOM 584 OG SER A 37 82.460 -0.627 19.059 1.00 0.00 O ATOM 0 H SER A 37 83.376 -2.660 17.797 1.00 0.00 H new ATOM 0 HA SER A 37 80.596 -3.408 18.715 1.00 0.00 H new ATOM 0 HB2 SER A 37 80.541 -1.086 19.675 1.00 0.00 H new ATOM 0 HB3 SER A 37 81.810 -2.021 20.440 1.00 0.00 H new ATOM 0 HG SER A 37 82.341 0.210 19.554 1.00 0.00 H new ATOM 590 N PHE A 38 79.936 -1.140 17.166 1.00 0.00 N ATOM 591 CA PHE A 38 79.432 -0.503 15.916 1.00 0.00 C ATOM 592 C PHE A 38 79.615 1.017 15.990 1.00 0.00 C ATOM 593 O PHE A 38 79.573 1.605 17.053 1.00 0.00 O ATOM 594 CB PHE A 38 77.945 -0.862 15.866 1.00 0.00 C ATOM 595 CG PHE A 38 77.227 -0.189 17.012 1.00 0.00 C ATOM 596 CD1 PHE A 38 76.971 1.186 16.966 1.00 0.00 C ATOM 597 CD2 PHE A 38 76.816 -0.941 18.119 1.00 0.00 C ATOM 598 CE1 PHE A 38 76.304 1.811 18.027 1.00 0.00 C ATOM 599 CE2 PHE A 38 76.149 -0.317 19.180 1.00 0.00 C ATOM 600 CZ PHE A 38 75.893 1.059 19.134 1.00 0.00 C ATOM 0 H PHE A 38 79.499 -0.810 18.027 1.00 0.00 H new ATOM 0 HA PHE A 38 79.966 -0.845 15.029 1.00 0.00 H new ATOM 0 HB2 PHE A 38 77.515 -0.544 14.916 1.00 0.00 H new ATOM 0 HB3 PHE A 38 77.818 -1.943 15.928 1.00 0.00 H new ATOM 0 HD1 PHE A 38 77.288 1.766 16.112 1.00 0.00 H new ATOM 0 HD2 PHE A 38 77.013 -2.002 18.155 1.00 0.00 H new ATOM 0 HE1 PHE A 38 76.107 2.872 17.991 1.00 0.00 H new ATOM 0 HE2 PHE A 38 75.832 -0.897 20.034 1.00 0.00 H new ATOM 0 HZ PHE A 38 75.378 1.540 19.953 1.00 0.00 H new ATOM 610 N ILE A 39 79.817 1.657 14.871 1.00 0.00 N ATOM 611 CA ILE A 39 79.999 3.137 14.879 1.00 0.00 C ATOM 612 C ILE A 39 78.651 3.832 14.651 1.00 0.00 C ATOM 613 O ILE A 39 77.822 3.365 13.895 1.00 0.00 O ATOM 614 CB ILE A 39 80.975 3.416 13.730 1.00 0.00 C ATOM 615 CG1 ILE A 39 82.407 3.185 14.219 1.00 0.00 C ATOM 616 CG2 ILE A 39 80.833 4.863 13.254 1.00 0.00 C ATOM 617 CD1 ILE A 39 83.355 3.137 13.020 1.00 0.00 C ATOM 0 H ILE A 39 79.864 1.219 13.951 1.00 0.00 H new ATOM 0 HA ILE A 39 80.382 3.512 15.828 1.00 0.00 H new ATOM 0 HB ILE A 39 80.749 2.745 12.901 1.00 0.00 H new ATOM 0 HG12 ILE A 39 82.704 3.984 14.899 1.00 0.00 H new ATOM 0 HG13 ILE A 39 82.465 2.252 14.779 1.00 0.00 H new ATOM 0 HG21 ILE A 39 81.532 5.048 12.438 1.00 0.00 H new ATOM 0 HG22 ILE A 39 79.814 5.033 12.905 1.00 0.00 H new ATOM 0 HG23 ILE A 39 81.052 5.541 14.079 1.00 0.00 H new ATOM 0 HD11 ILE A 39 84.375 2.973 13.369 1.00 0.00 H new ATOM 0 HD12 ILE A 39 83.062 2.323 12.357 1.00 0.00 H new ATOM 0 HD13 ILE A 39 83.305 4.082 12.478 1.00 0.00 H new ATOM 629 N SER A 40 78.424 4.939 15.304 1.00 0.00 N ATOM 630 CA SER A 40 77.128 5.658 15.130 1.00 0.00 C ATOM 631 C SER A 40 77.075 6.339 13.759 1.00 0.00 C ATOM 632 O SER A 40 76.016 6.645 13.248 1.00 0.00 O ATOM 633 CB SER A 40 77.103 6.699 16.246 1.00 0.00 C ATOM 634 OG SER A 40 77.541 6.100 17.458 1.00 0.00 O ATOM 0 H SER A 40 79.080 5.377 15.951 1.00 0.00 H new ATOM 0 HA SER A 40 76.273 4.984 15.179 1.00 0.00 H new ATOM 0 HB2 SER A 40 77.747 7.540 15.989 1.00 0.00 H new ATOM 0 HB3 SER A 40 76.095 7.095 16.367 1.00 0.00 H new ATOM 0 HG SER A 40 77.528 6.767 18.176 1.00 0.00 H new ATOM 640 N GLY A 41 78.210 6.580 13.165 1.00 0.00 N ATOM 641 CA GLY A 41 78.230 7.243 11.831 1.00 0.00 C ATOM 642 C GLY A 41 78.826 8.646 11.967 1.00 0.00 C ATOM 643 O GLY A 41 78.933 9.175 13.054 1.00 0.00 O ATOM 0 H GLY A 41 79.127 6.346 13.546 1.00 0.00 H new ATOM 0 HA2 GLY A 41 78.819 6.653 11.129 1.00 0.00 H new ATOM 0 HA3 GLY A 41 77.219 7.303 11.428 1.00 0.00 H new ATOM 647 N SER A 42 79.212 9.246 10.867 1.00 0.00 N ATOM 648 CA SER A 42 79.804 10.623 10.903 1.00 0.00 C ATOM 649 C SER A 42 81.264 10.574 11.374 1.00 0.00 C ATOM 650 O SER A 42 82.178 10.779 10.600 1.00 0.00 O ATOM 651 CB SER A 42 78.946 11.424 11.884 1.00 0.00 C ATOM 652 OG SER A 42 78.618 12.679 11.303 1.00 0.00 O ATOM 0 H SER A 42 79.142 8.837 9.935 1.00 0.00 H new ATOM 0 HA SER A 42 79.809 11.080 9.913 1.00 0.00 H new ATOM 0 HB2 SER A 42 78.037 10.873 12.124 1.00 0.00 H new ATOM 0 HB3 SER A 42 79.485 11.573 12.819 1.00 0.00 H new ATOM 0 HG SER A 42 78.067 13.195 11.928 1.00 0.00 H new ATOM 658 N VAL A 43 81.490 10.309 12.632 1.00 0.00 N ATOM 659 CA VAL A 43 82.889 10.253 13.148 1.00 0.00 C ATOM 660 C VAL A 43 83.793 9.528 12.148 1.00 0.00 C ATOM 661 O VAL A 43 84.937 9.888 11.955 1.00 0.00 O ATOM 662 CB VAL A 43 82.789 9.468 14.459 1.00 0.00 C ATOM 663 CG1 VAL A 43 84.166 8.923 14.844 1.00 0.00 C ATOM 664 CG2 VAL A 43 82.281 10.396 15.566 1.00 0.00 C ATOM 0 H VAL A 43 80.765 10.128 13.327 1.00 0.00 H new ATOM 0 HA VAL A 43 83.319 11.243 13.297 1.00 0.00 H new ATOM 0 HB VAL A 43 82.097 8.635 14.330 1.00 0.00 H new ATOM 0 HG11 VAL A 43 84.089 8.365 15.777 1.00 0.00 H new ATOM 0 HG12 VAL A 43 84.529 8.263 14.056 1.00 0.00 H new ATOM 0 HG13 VAL A 43 84.862 9.752 14.973 1.00 0.00 H new ATOM 0 HG21 VAL A 43 82.208 9.841 16.501 1.00 0.00 H new ATOM 0 HG22 VAL A 43 82.975 11.228 15.691 1.00 0.00 H new ATOM 0 HG23 VAL A 43 81.298 10.781 15.295 1.00 0.00 H new ATOM 674 N ALA A 44 83.286 8.511 11.511 1.00 0.00 N ATOM 675 CA ALA A 44 84.113 7.763 10.523 1.00 0.00 C ATOM 676 C ALA A 44 84.132 8.505 9.185 1.00 0.00 C ATOM 677 O ALA A 44 85.165 8.664 8.566 1.00 0.00 O ATOM 678 CB ALA A 44 83.425 6.406 10.378 1.00 0.00 C ATOM 0 H ALA A 44 82.334 8.165 11.631 1.00 0.00 H new ATOM 0 HA ALA A 44 85.150 7.659 10.843 1.00 0.00 H new ATOM 0 HB1 ALA A 44 83.976 5.793 9.664 1.00 0.00 H new ATOM 0 HB2 ALA A 44 83.403 5.904 11.345 1.00 0.00 H new ATOM 0 HB3 ALA A 44 82.405 6.551 10.021 1.00 0.00 H new ATOM 684 N LYS A 45 82.997 8.968 8.736 1.00 0.00 N ATOM 685 CA LYS A 45 82.954 9.705 7.441 1.00 0.00 C ATOM 686 C LYS A 45 83.800 10.976 7.531 1.00 0.00 C ATOM 687 O LYS A 45 84.082 11.620 6.541 1.00 0.00 O ATOM 688 CB LYS A 45 81.481 10.052 7.229 1.00 0.00 C ATOM 689 CG LYS A 45 81.014 9.478 5.893 1.00 0.00 C ATOM 690 CD LYS A 45 79.491 9.592 5.786 1.00 0.00 C ATOM 691 CE LYS A 45 79.128 10.670 4.762 1.00 0.00 C ATOM 692 NZ LYS A 45 79.106 9.962 3.451 1.00 0.00 N ATOM 0 H LYS A 45 82.099 8.868 9.209 1.00 0.00 H new ATOM 0 HA LYS A 45 83.354 9.115 6.616 1.00 0.00 H new ATOM 0 HB2 LYS A 45 80.879 9.646 8.042 1.00 0.00 H new ATOM 0 HB3 LYS A 45 81.345 11.133 7.241 1.00 0.00 H new ATOM 0 HG2 LYS A 45 81.487 10.015 5.071 1.00 0.00 H new ATOM 0 HG3 LYS A 45 81.317 8.434 5.809 1.00 0.00 H new ATOM 0 HD2 LYS A 45 79.065 8.634 5.488 1.00 0.00 H new ATOM 0 HD3 LYS A 45 79.066 9.841 6.758 1.00 0.00 H new ATOM 0 HE2 LYS A 45 78.159 11.117 4.986 1.00 0.00 H new ATOM 0 HE3 LYS A 45 79.860 11.478 4.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 78.626 10.555 2.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 80.081 9.775 3.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 78.596 9.061 3.551 1.00 0.00 H new ATOM 706 N ASN A 46 84.207 11.341 8.715 1.00 0.00 N ATOM 707 CA ASN A 46 85.036 12.569 8.876 1.00 0.00 C ATOM 708 C ASN A 46 86.463 12.314 8.383 1.00 0.00 C ATOM 709 O ASN A 46 87.003 13.070 7.599 1.00 0.00 O ATOM 710 CB ASN A 46 85.032 12.855 10.378 1.00 0.00 C ATOM 711 CG ASN A 46 84.927 14.365 10.610 1.00 0.00 C ATOM 712 OD1 ASN A 46 83.842 14.900 10.722 1.00 0.00 O ATOM 713 ND2 ASN A 46 86.018 15.078 10.688 1.00 0.00 N ATOM 0 H ASN A 46 84.001 10.841 9.580 1.00 0.00 H new ATOM 0 HA ASN A 46 84.646 13.408 8.299 1.00 0.00 H new ATOM 0 HB2 ASN A 46 84.195 12.344 10.854 1.00 0.00 H new ATOM 0 HB3 ASN A 46 85.943 12.469 10.835 1.00 0.00 H new ATOM 0 HD21 ASN A 46 85.960 16.084 10.843 1.00 0.00 H new ATOM 0 HD22 ASN A 46 86.929 14.629 10.594 1.00 0.00 H new ATOM 720 N PHE A 47 87.082 11.259 8.837 1.00 0.00 N ATOM 721 CA PHE A 47 88.473 10.968 8.395 1.00 0.00 C ATOM 722 C PHE A 47 88.464 10.082 7.140 1.00 0.00 C ATOM 723 O PHE A 47 89.478 9.887 6.501 1.00 0.00 O ATOM 724 CB PHE A 47 89.130 10.264 9.592 1.00 0.00 C ATOM 725 CG PHE A 47 88.915 8.774 9.511 1.00 0.00 C ATOM 726 CD1 PHE A 47 87.778 8.197 10.085 1.00 0.00 C ATOM 727 CD2 PHE A 47 89.857 7.970 8.861 1.00 0.00 C ATOM 728 CE1 PHE A 47 87.582 6.816 10.008 1.00 0.00 C ATOM 729 CE2 PHE A 47 89.662 6.588 8.784 1.00 0.00 C ATOM 730 CZ PHE A 47 88.524 6.010 9.357 1.00 0.00 C ATOM 0 H PHE A 47 86.685 10.587 9.494 1.00 0.00 H new ATOM 0 HA PHE A 47 89.022 11.867 8.117 1.00 0.00 H new ATOM 0 HB2 PHE A 47 90.198 10.483 9.609 1.00 0.00 H new ATOM 0 HB3 PHE A 47 88.711 10.648 10.522 1.00 0.00 H new ATOM 0 HD1 PHE A 47 87.052 8.819 10.588 1.00 0.00 H new ATOM 0 HD2 PHE A 47 90.735 8.417 8.419 1.00 0.00 H new ATOM 0 HE1 PHE A 47 86.704 6.370 10.451 1.00 0.00 H new ATOM 0 HE2 PHE A 47 90.389 5.967 8.283 1.00 0.00 H new ATOM 0 HZ PHE A 47 88.372 4.942 9.297 1.00 0.00 H new ATOM 740 N PHE A 48 87.324 9.553 6.775 1.00 0.00 N ATOM 741 CA PHE A 48 87.252 8.693 5.558 1.00 0.00 C ATOM 742 C PHE A 48 87.761 9.463 4.335 1.00 0.00 C ATOM 743 O PHE A 48 88.043 8.889 3.302 1.00 0.00 O ATOM 744 CB PHE A 48 85.768 8.365 5.391 1.00 0.00 C ATOM 745 CG PHE A 48 85.460 7.062 6.082 1.00 0.00 C ATOM 746 CD1 PHE A 48 86.158 6.704 7.238 1.00 0.00 C ATOM 747 CD2 PHE A 48 84.475 6.209 5.568 1.00 0.00 C ATOM 748 CE1 PHE A 48 85.875 5.497 7.882 1.00 0.00 C ATOM 749 CE2 PHE A 48 84.191 4.999 6.212 1.00 0.00 C ATOM 750 CZ PHE A 48 84.892 4.643 7.371 1.00 0.00 C ATOM 0 H PHE A 48 86.440 9.680 7.268 1.00 0.00 H new ATOM 0 HA PHE A 48 87.864 7.796 5.653 1.00 0.00 H new ATOM 0 HB2 PHE A 48 85.158 9.165 5.812 1.00 0.00 H new ATOM 0 HB3 PHE A 48 85.517 8.296 4.333 1.00 0.00 H new ATOM 0 HD1 PHE A 48 86.918 7.361 7.634 1.00 0.00 H new ATOM 0 HD2 PHE A 48 83.935 6.485 4.675 1.00 0.00 H new ATOM 0 HE1 PHE A 48 86.416 5.223 8.776 1.00 0.00 H new ATOM 0 HE2 PHE A 48 83.432 4.341 5.816 1.00 0.00 H new ATOM 0 HZ PHE A 48 84.674 3.710 7.870 1.00 0.00 H new ATOM 760 N THR A 49 87.876 10.758 4.445 1.00 0.00 N ATOM 761 CA THR A 49 88.361 11.565 3.293 1.00 0.00 C ATOM 762 C THR A 49 89.885 11.481 3.190 1.00 0.00 C ATOM 763 O THR A 49 90.602 12.267 3.774 1.00 0.00 O ATOM 764 CB THR A 49 87.918 12.992 3.591 1.00 0.00 C ATOM 765 OG1 THR A 49 86.948 12.997 4.629 1.00 0.00 O ATOM 766 CG2 THR A 49 87.316 13.610 2.332 1.00 0.00 C ATOM 0 H THR A 49 87.654 11.292 5.285 1.00 0.00 H new ATOM 0 HA THR A 49 87.962 11.208 2.344 1.00 0.00 H new ATOM 0 HB THR A 49 88.783 13.573 3.910 1.00 0.00 H new ATOM 0 HG1 THR A 49 87.390 13.154 5.489 1.00 0.00 H new ATOM 0 HG21 THR A 49 86.999 14.631 2.544 1.00 0.00 H new ATOM 0 HG22 THR A 49 88.063 13.620 1.538 1.00 0.00 H new ATOM 0 HG23 THR A 49 86.456 13.021 2.013 1.00 0.00 H new ATOM 774 N LYS A 50 90.385 10.530 2.448 1.00 0.00 N ATOM 775 CA LYS A 50 91.862 10.392 2.307 1.00 0.00 C ATOM 776 C LYS A 50 92.197 9.320 1.267 1.00 0.00 C ATOM 777 O LYS A 50 93.099 8.525 1.448 1.00 0.00 O ATOM 778 CB LYS A 50 92.350 9.965 3.691 1.00 0.00 C ATOM 779 CG LYS A 50 91.510 8.787 4.188 1.00 0.00 C ATOM 780 CD LYS A 50 92.435 7.639 4.596 1.00 0.00 C ATOM 781 CE LYS A 50 91.596 6.427 5.005 1.00 0.00 C ATOM 782 NZ LYS A 50 91.814 5.428 3.922 1.00 0.00 N ATOM 0 H LYS A 50 89.834 9.843 1.934 1.00 0.00 H new ATOM 0 HA LYS A 50 92.334 11.316 1.973 1.00 0.00 H new ATOM 0 HB2 LYS A 50 93.402 9.682 3.646 1.00 0.00 H new ATOM 0 HB3 LYS A 50 92.274 10.799 4.388 1.00 0.00 H new ATOM 0 HG2 LYS A 50 90.898 9.095 5.036 1.00 0.00 H new ATOM 0 HG3 LYS A 50 90.827 8.457 3.405 1.00 0.00 H new ATOM 0 HD2 LYS A 50 93.093 7.376 3.768 1.00 0.00 H new ATOM 0 HD3 LYS A 50 93.073 7.949 5.424 1.00 0.00 H new ATOM 0 HE2 LYS A 50 91.911 6.036 5.972 1.00 0.00 H new ATOM 0 HE3 LYS A 50 90.542 6.688 5.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 91.270 4.566 4.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 91.498 5.826 3.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 92.826 5.194 3.864 1.00 0.00 H new ATOM 796 N SER A 51 91.480 9.293 0.176 1.00 0.00 N ATOM 797 CA SER A 51 91.761 8.273 -0.875 1.00 0.00 C ATOM 798 C SER A 51 91.207 8.746 -2.220 1.00 0.00 C ATOM 799 O SER A 51 91.944 8.984 -3.156 1.00 0.00 O ATOM 800 CB SER A 51 91.036 7.011 -0.411 1.00 0.00 C ATOM 801 OG SER A 51 91.574 5.885 -1.090 1.00 0.00 O ATOM 0 H SER A 51 90.713 9.932 -0.033 1.00 0.00 H new ATOM 0 HA SER A 51 92.829 8.099 -1.010 1.00 0.00 H new ATOM 0 HB2 SER A 51 91.148 6.888 0.666 1.00 0.00 H new ATOM 0 HB3 SER A 51 89.968 7.096 -0.613 1.00 0.00 H new ATOM 0 HG SER A 51 90.849 5.270 -1.328 1.00 0.00 H new ATOM 807 N LYS A 52 89.914 8.888 -2.323 1.00 0.00 N ATOM 808 CA LYS A 52 89.311 9.351 -3.602 1.00 0.00 C ATOM 809 C LYS A 52 90.144 10.488 -4.194 1.00 0.00 C ATOM 810 O LYS A 52 90.284 10.607 -5.394 1.00 0.00 O ATOM 811 CB LYS A 52 87.921 9.855 -3.222 1.00 0.00 C ATOM 812 CG LYS A 52 86.932 9.491 -4.326 1.00 0.00 C ATOM 813 CD LYS A 52 87.215 10.341 -5.568 1.00 0.00 C ATOM 814 CE LYS A 52 87.599 9.427 -6.734 1.00 0.00 C ATOM 815 NZ LYS A 52 86.740 9.869 -7.867 1.00 0.00 N ATOM 0 H LYS A 52 89.248 8.702 -1.573 1.00 0.00 H new ATOM 0 HA LYS A 52 89.270 8.560 -4.350 1.00 0.00 H new ATOM 0 HB2 LYS A 52 87.607 9.412 -2.277 1.00 0.00 H new ATOM 0 HB3 LYS A 52 87.940 10.935 -3.077 1.00 0.00 H new ATOM 0 HG2 LYS A 52 87.017 8.432 -4.570 1.00 0.00 H new ATOM 0 HG3 LYS A 52 85.911 9.658 -3.983 1.00 0.00 H new ATOM 0 HD2 LYS A 52 86.335 10.929 -5.828 1.00 0.00 H new ATOM 0 HD3 LYS A 52 88.021 11.046 -5.364 1.00 0.00 H new ATOM 0 HE2 LYS A 52 88.657 9.523 -6.979 1.00 0.00 H new ATOM 0 HE3 LYS A 52 87.422 8.380 -6.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 86.945 9.289 -8.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 85.739 9.760 -7.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 86.935 10.868 -8.081 1.00 0.00 H new ATOM 829 N LEU A 53 90.694 11.323 -3.357 1.00 0.00 N ATOM 830 CA LEU A 53 91.517 12.457 -3.865 1.00 0.00 C ATOM 831 C LEU A 53 90.681 13.341 -4.797 1.00 0.00 C ATOM 832 O LEU A 53 90.079 14.308 -4.376 1.00 0.00 O ATOM 833 CB LEU A 53 92.669 11.803 -4.631 1.00 0.00 C ATOM 834 CG LEU A 53 93.839 11.552 -3.679 1.00 0.00 C ATOM 835 CD1 LEU A 53 94.454 10.183 -3.974 1.00 0.00 C ATOM 836 CD2 LEU A 53 94.899 12.637 -3.877 1.00 0.00 C ATOM 0 H LEU A 53 90.609 11.269 -2.342 1.00 0.00 H new ATOM 0 HA LEU A 53 91.878 13.098 -3.061 1.00 0.00 H new ATOM 0 HB2 LEU A 53 92.338 10.863 -5.073 1.00 0.00 H new ATOM 0 HB3 LEU A 53 92.986 12.447 -5.451 1.00 0.00 H new ATOM 0 HG LEU A 53 93.480 11.576 -2.650 1.00 0.00 H new ATOM 0 HD11 LEU A 53 95.288 10.005 -3.295 1.00 0.00 H new ATOM 0 HD12 LEU A 53 93.700 9.408 -3.834 1.00 0.00 H new ATOM 0 HD13 LEU A 53 94.813 10.159 -5.003 1.00 0.00 H new ATOM 0 HD21 LEU A 53 95.733 12.459 -3.199 1.00 0.00 H new ATOM 0 HD22 LEU A 53 95.257 12.613 -4.906 1.00 0.00 H new ATOM 0 HD23 LEU A 53 94.463 13.614 -3.667 1.00 0.00 H new ATOM 848 N SER A 54 90.644 13.017 -6.060 1.00 0.00 N ATOM 849 CA SER A 54 89.851 13.836 -7.022 1.00 0.00 C ATOM 850 C SER A 54 88.395 13.962 -6.560 1.00 0.00 C ATOM 851 O SER A 54 87.609 13.046 -6.694 1.00 0.00 O ATOM 852 CB SER A 54 89.927 13.072 -8.343 1.00 0.00 C ATOM 853 OG SER A 54 91.283 12.994 -8.762 1.00 0.00 O ATOM 0 H SER A 54 91.130 12.219 -6.469 1.00 0.00 H new ATOM 0 HA SER A 54 90.238 14.851 -7.108 1.00 0.00 H new ATOM 0 HB2 SER A 54 89.513 12.071 -8.222 1.00 0.00 H new ATOM 0 HB3 SER A 54 89.328 13.575 -9.102 1.00 0.00 H new ATOM 0 HG SER A 54 91.336 12.503 -9.608 1.00 0.00 H new ATOM 859 N ILE A 55 88.031 15.096 -6.026 1.00 0.00 N ATOM 860 CA ILE A 55 86.625 15.291 -5.563 1.00 0.00 C ATOM 861 C ILE A 55 86.263 14.259 -4.491 1.00 0.00 C ATOM 862 O ILE A 55 86.386 13.070 -4.710 1.00 0.00 O ATOM 863 CB ILE A 55 85.765 15.086 -6.809 1.00 0.00 C ATOM 864 CG1 ILE A 55 86.326 15.924 -7.961 1.00 0.00 C ATOM 865 CG2 ILE A 55 84.330 15.521 -6.513 1.00 0.00 C ATOM 866 CD1 ILE A 55 85.643 15.518 -9.268 1.00 0.00 C ATOM 0 H ILE A 55 88.647 15.898 -5.890 1.00 0.00 H new ATOM 0 HA ILE A 55 86.476 16.274 -5.117 1.00 0.00 H new ATOM 0 HB ILE A 55 85.775 14.033 -7.089 1.00 0.00 H new ATOM 0 HG12 ILE A 55 86.162 16.984 -7.767 1.00 0.00 H new ATOM 0 HG13 ILE A 55 87.403 15.777 -8.040 1.00 0.00 H new ATOM 0 HG21 ILE A 55 83.715 15.375 -7.401 1.00 0.00 H new ATOM 0 HG22 ILE A 55 83.931 14.924 -5.693 1.00 0.00 H new ATOM 0 HG23 ILE A 55 84.320 16.574 -6.233 1.00 0.00 H new ATOM 0 HD11 ILE A 55 86.043 16.115 -10.088 1.00 0.00 H new ATOM 0 HD12 ILE A 55 85.830 14.462 -9.463 1.00 0.00 H new ATOM 0 HD13 ILE A 55 84.569 15.688 -9.185 1.00 0.00 H new ATOM 878 N PRO A 56 85.823 14.750 -3.363 1.00 0.00 N ATOM 879 CA PRO A 56 85.434 13.856 -2.245 1.00 0.00 C ATOM 880 C PRO A 56 84.163 13.081 -2.605 1.00 0.00 C ATOM 881 O PRO A 56 83.071 13.448 -2.219 1.00 0.00 O ATOM 882 CB PRO A 56 85.169 14.804 -1.072 1.00 0.00 C ATOM 883 CG PRO A 56 85.600 16.168 -1.523 1.00 0.00 C ATOM 884 CD PRO A 56 85.648 16.161 -3.026 1.00 0.00 C ATOM 0 HA PRO A 56 86.200 13.116 -2.015 1.00 0.00 H new ATOM 0 HB2 PRO A 56 84.113 14.800 -0.801 1.00 0.00 H new ATOM 0 HB3 PRO A 56 85.726 14.493 -0.188 1.00 0.00 H new ATOM 0 HG2 PRO A 56 84.903 16.926 -1.167 1.00 0.00 H new ATOM 0 HG3 PRO A 56 86.578 16.415 -1.111 1.00 0.00 H new ATOM 0 HD2 PRO A 56 84.732 16.565 -3.457 1.00 0.00 H new ATOM 0 HD3 PRO A 56 86.472 16.767 -3.403 1.00 0.00 H new ATOM 892 N GLU A 57 84.295 12.010 -3.339 1.00 0.00 N ATOM 893 CA GLU A 57 83.093 11.214 -3.720 1.00 0.00 C ATOM 894 C GLU A 57 82.844 10.111 -2.690 1.00 0.00 C ATOM 895 O GLU A 57 82.708 8.952 -3.026 1.00 0.00 O ATOM 896 CB GLU A 57 83.434 10.612 -5.082 1.00 0.00 C ATOM 897 CG GLU A 57 83.105 11.621 -6.183 1.00 0.00 C ATOM 898 CD GLU A 57 82.903 10.883 -7.507 1.00 0.00 C ATOM 899 OE1 GLU A 57 81.980 10.088 -7.586 1.00 0.00 O ATOM 900 OE2 GLU A 57 83.675 11.123 -8.421 1.00 0.00 O ATOM 0 H GLU A 57 85.183 11.652 -3.691 1.00 0.00 H new ATOM 0 HA GLU A 57 82.188 11.821 -3.759 1.00 0.00 H new ATOM 0 HB2 GLU A 57 84.491 10.348 -5.120 1.00 0.00 H new ATOM 0 HB3 GLU A 57 82.870 9.692 -5.236 1.00 0.00 H new ATOM 0 HG2 GLU A 57 82.204 12.178 -5.924 1.00 0.00 H new ATOM 0 HG3 GLU A 57 83.912 12.347 -6.279 1.00 0.00 H new ATOM 907 N LEU A 58 82.783 10.464 -1.434 1.00 0.00 N ATOM 908 CA LEU A 58 82.545 9.437 -0.381 1.00 0.00 C ATOM 909 C LEU A 58 81.060 9.064 -0.327 1.00 0.00 C ATOM 910 O LEU A 58 80.644 8.260 0.483 1.00 0.00 O ATOM 911 CB LEU A 58 82.978 10.101 0.927 1.00 0.00 C ATOM 912 CG LEU A 58 84.500 10.027 1.057 1.00 0.00 C ATOM 913 CD1 LEU A 58 85.040 11.381 1.520 1.00 0.00 C ATOM 914 CD2 LEU A 58 84.871 8.954 2.082 1.00 0.00 C ATOM 0 H LEU A 58 82.888 11.419 -1.092 1.00 0.00 H new ATOM 0 HA LEU A 58 83.096 8.516 -0.573 1.00 0.00 H new ATOM 0 HB2 LEU A 58 82.651 11.141 0.945 1.00 0.00 H new ATOM 0 HB3 LEU A 58 82.505 9.603 1.774 1.00 0.00 H new ATOM 0 HG LEU A 58 84.935 9.774 0.090 1.00 0.00 H new ATOM 0 HD11 LEU A 58 86.125 11.328 1.613 1.00 0.00 H new ATOM 0 HD12 LEU A 58 84.775 12.147 0.791 1.00 0.00 H new ATOM 0 HD13 LEU A 58 84.605 11.635 2.487 1.00 0.00 H new ATOM 0 HD21 LEU A 58 85.956 8.900 2.176 1.00 0.00 H new ATOM 0 HD22 LEU A 58 84.435 9.208 3.048 1.00 0.00 H new ATOM 0 HD23 LEU A 58 84.487 7.988 1.753 1.00 0.00 H new ATOM 926 N SER A 59 80.259 9.639 -1.180 1.00 0.00 N ATOM 927 CA SER A 59 78.804 9.310 -1.171 1.00 0.00 C ATOM 928 C SER A 59 78.592 7.859 -1.608 1.00 0.00 C ATOM 929 O SER A 59 77.696 7.186 -1.140 1.00 0.00 O ATOM 930 CB SER A 59 78.169 10.271 -2.175 1.00 0.00 C ATOM 931 OG SER A 59 77.038 10.892 -1.578 1.00 0.00 O ATOM 0 H SER A 59 80.547 10.321 -1.882 1.00 0.00 H new ATOM 0 HA SER A 59 78.364 9.413 -0.179 1.00 0.00 H new ATOM 0 HB2 SER A 59 78.893 11.026 -2.482 1.00 0.00 H new ATOM 0 HB3 SER A 59 77.870 9.732 -3.074 1.00 0.00 H new ATOM 0 HG SER A 59 76.629 11.511 -2.218 1.00 0.00 H new ATOM 937 N TYR A 60 79.411 7.368 -2.500 1.00 0.00 N ATOM 938 CA TYR A 60 79.250 5.959 -2.958 1.00 0.00 C ATOM 939 C TYR A 60 80.010 5.013 -2.020 1.00 0.00 C ATOM 940 O TYR A 60 79.615 3.884 -1.808 1.00 0.00 O ATOM 941 CB TYR A 60 79.819 5.933 -4.385 1.00 0.00 C ATOM 942 CG TYR A 60 81.307 5.659 -4.365 1.00 0.00 C ATOM 943 CD1 TYR A 60 81.775 4.343 -4.269 1.00 0.00 C ATOM 944 CD2 TYR A 60 82.217 6.720 -4.451 1.00 0.00 C ATOM 945 CE1 TYR A 60 83.151 4.088 -4.257 1.00 0.00 C ATOM 946 CE2 TYR A 60 83.594 6.464 -4.440 1.00 0.00 C ATOM 947 CZ TYR A 60 84.061 5.148 -4.344 1.00 0.00 C ATOM 948 OH TYR A 60 85.418 4.897 -4.335 1.00 0.00 O ATOM 0 H TYR A 60 80.181 7.880 -2.929 1.00 0.00 H new ATOM 0 HA TYR A 60 78.212 5.627 -2.948 1.00 0.00 H new ATOM 0 HB2 TYR A 60 79.311 5.166 -4.970 1.00 0.00 H new ATOM 0 HB3 TYR A 60 79.627 6.887 -4.875 1.00 0.00 H new ATOM 0 HD1 TYR A 60 81.074 3.524 -4.204 1.00 0.00 H new ATOM 0 HD2 TYR A 60 81.857 7.736 -4.526 1.00 0.00 H new ATOM 0 HE1 TYR A 60 83.511 3.073 -4.181 1.00 0.00 H new ATOM 0 HE2 TYR A 60 84.296 7.282 -4.506 1.00 0.00 H new ATOM 0 HH TYR A 60 85.855 5.485 -3.684 1.00 0.00 H new ATOM 958 N ILE A 61 81.090 5.470 -1.447 1.00 0.00 N ATOM 959 CA ILE A 61 81.861 4.600 -0.514 1.00 0.00 C ATOM 960 C ILE A 61 81.016 4.304 0.725 1.00 0.00 C ATOM 961 O ILE A 61 80.826 3.165 1.104 1.00 0.00 O ATOM 962 CB ILE A 61 83.097 5.417 -0.137 1.00 0.00 C ATOM 963 CG1 ILE A 61 84.074 5.435 -1.314 1.00 0.00 C ATOM 964 CG2 ILE A 61 83.775 4.786 1.081 1.00 0.00 C ATOM 965 CD1 ILE A 61 84.501 4.004 -1.648 1.00 0.00 C ATOM 0 H ILE A 61 81.471 6.406 -1.584 1.00 0.00 H new ATOM 0 HA ILE A 61 82.132 3.643 -0.960 1.00 0.00 H new ATOM 0 HB ILE A 61 82.799 6.438 0.103 1.00 0.00 H new ATOM 0 HG12 ILE A 61 83.605 5.897 -2.182 1.00 0.00 H new ATOM 0 HG13 ILE A 61 84.948 6.037 -1.065 1.00 0.00 H new ATOM 0 HG21 ILE A 61 84.656 5.369 1.349 1.00 0.00 H new ATOM 0 HG22 ILE A 61 83.079 4.774 1.919 1.00 0.00 H new ATOM 0 HG23 ILE A 61 84.074 3.765 0.843 1.00 0.00 H new ATOM 0 HD11 ILE A 61 85.197 4.018 -2.487 1.00 0.00 H new ATOM 0 HD12 ILE A 61 84.987 3.558 -0.781 1.00 0.00 H new ATOM 0 HD13 ILE A 61 83.623 3.415 -1.915 1.00 0.00 H new ATOM 977 N TRP A 62 80.499 5.323 1.352 1.00 0.00 N ATOM 978 CA TRP A 62 79.656 5.110 2.561 1.00 0.00 C ATOM 979 C TRP A 62 78.321 4.483 2.153 1.00 0.00 C ATOM 980 O TRP A 62 77.765 3.666 2.860 1.00 0.00 O ATOM 981 CB TRP A 62 79.445 6.508 3.143 1.00 0.00 C ATOM 982 CG TRP A 62 78.317 6.480 4.121 1.00 0.00 C ATOM 983 CD1 TRP A 62 77.005 6.511 3.794 1.00 0.00 C ATOM 984 CD2 TRP A 62 78.377 6.419 5.575 1.00 0.00 C ATOM 985 NE1 TRP A 62 76.255 6.470 4.957 1.00 0.00 N ATOM 986 CE2 TRP A 62 77.056 6.414 6.081 1.00 0.00 C ATOM 987 CE3 TRP A 62 79.440 6.368 6.493 1.00 0.00 C ATOM 988 CZ2 TRP A 62 76.799 6.360 7.451 1.00 0.00 C ATOM 989 CZ3 TRP A 62 79.186 6.314 7.873 1.00 0.00 C ATOM 990 CH2 TRP A 62 77.867 6.310 8.351 1.00 0.00 C ATOM 0 H TRP A 62 80.624 6.298 1.078 1.00 0.00 H new ATOM 0 HA TRP A 62 80.117 4.438 3.285 1.00 0.00 H new ATOM 0 HB2 TRP A 62 80.356 6.850 3.634 1.00 0.00 H new ATOM 0 HB3 TRP A 62 79.229 7.217 2.344 1.00 0.00 H new ATOM 0 HD1 TRP A 62 76.608 6.560 2.791 1.00 0.00 H new ATOM 0 HE1 TRP A 62 75.235 6.480 4.981 1.00 0.00 H new ATOM 0 HE3 TRP A 62 80.459 6.370 6.135 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 75.782 6.357 7.814 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 80.010 6.275 8.570 1.00 0.00 H new ATOM 0 HH2 TRP A 62 77.677 6.268 9.413 1.00 0.00 H new ATOM 1001 N GLU A 63 77.806 4.855 1.013 1.00 0.00 N ATOM 1002 CA GLU A 63 76.513 4.274 0.556 1.00 0.00 C ATOM 1003 C GLU A 63 76.636 2.752 0.481 1.00 0.00 C ATOM 1004 O GLU A 63 75.661 2.033 0.577 1.00 0.00 O ATOM 1005 CB GLU A 63 76.277 4.864 -0.834 1.00 0.00 C ATOM 1006 CG GLU A 63 75.400 6.112 -0.717 1.00 0.00 C ATOM 1007 CD GLU A 63 73.953 5.696 -0.439 1.00 0.00 C ATOM 1008 OE1 GLU A 63 73.697 5.207 0.649 1.00 0.00 O ATOM 1009 OE2 GLU A 63 73.127 5.874 -1.319 1.00 0.00 O ATOM 0 H GLU A 63 78.225 5.536 0.379 1.00 0.00 H new ATOM 0 HA GLU A 63 75.689 4.502 1.232 1.00 0.00 H new ATOM 0 HB2 GLU A 63 77.229 5.118 -1.299 1.00 0.00 H new ATOM 0 HB3 GLU A 63 75.795 4.127 -1.476 1.00 0.00 H new ATOM 0 HG2 GLU A 63 75.766 6.752 0.086 1.00 0.00 H new ATOM 0 HG3 GLU A 63 75.452 6.693 -1.638 1.00 0.00 H new ATOM 1016 N LEU A 64 77.831 2.258 0.313 1.00 0.00 N ATOM 1017 CA LEU A 64 78.027 0.783 0.237 1.00 0.00 C ATOM 1018 C LEU A 64 78.362 0.226 1.622 1.00 0.00 C ATOM 1019 O LEU A 64 78.149 -0.937 1.902 1.00 0.00 O ATOM 1020 CB LEU A 64 79.206 0.590 -0.716 1.00 0.00 C ATOM 1021 CG LEU A 64 78.772 0.928 -2.143 1.00 0.00 C ATOM 1022 CD1 LEU A 64 79.988 1.375 -2.955 1.00 0.00 C ATOM 1023 CD2 LEU A 64 78.152 -0.311 -2.793 1.00 0.00 C ATOM 0 H LEU A 64 78.682 2.813 0.225 1.00 0.00 H new ATOM 0 HA LEU A 64 77.134 0.263 -0.109 1.00 0.00 H new ATOM 0 HB2 LEU A 64 80.037 1.229 -0.417 1.00 0.00 H new ATOM 0 HB3 LEU A 64 79.562 -0.439 -0.667 1.00 0.00 H new ATOM 0 HG LEU A 64 78.037 1.733 -2.118 1.00 0.00 H new ATOM 0 HD11 LEU A 64 79.678 1.616 -3.972 1.00 0.00 H new ATOM 0 HD12 LEU A 64 80.430 2.257 -2.492 1.00 0.00 H new ATOM 0 HD13 LEU A 64 80.724 0.571 -2.981 1.00 0.00 H new ATOM 0 HD21 LEU A 64 77.842 -0.072 -3.810 1.00 0.00 H new ATOM 0 HD22 LEU A 64 78.887 -1.115 -2.817 1.00 0.00 H new ATOM 0 HD23 LEU A 64 77.285 -0.630 -2.215 1.00 0.00 H new ATOM 1035 N SER A 65 78.886 1.046 2.493 1.00 0.00 N ATOM 1036 CA SER A 65 79.236 0.558 3.857 1.00 0.00 C ATOM 1037 C SER A 65 77.975 0.435 4.719 1.00 0.00 C ATOM 1038 O SER A 65 77.907 -0.374 5.622 1.00 0.00 O ATOM 1039 CB SER A 65 80.175 1.617 4.430 1.00 0.00 C ATOM 1040 OG SER A 65 81.069 1.001 5.350 1.00 0.00 O ATOM 0 H SER A 65 79.086 2.031 2.319 1.00 0.00 H new ATOM 0 HA SER A 65 79.700 -0.428 3.833 1.00 0.00 H new ATOM 0 HB2 SER A 65 80.734 2.097 3.627 1.00 0.00 H new ATOM 0 HB3 SER A 65 79.601 2.397 4.929 1.00 0.00 H new ATOM 0 HG SER A 65 80.939 0.030 5.332 1.00 0.00 H new ATOM 1046 N ASP A 66 76.980 1.232 4.448 1.00 0.00 N ATOM 1047 CA ASP A 66 75.728 1.158 5.255 1.00 0.00 C ATOM 1048 C ASP A 66 74.520 0.934 4.344 1.00 0.00 C ATOM 1049 O ASP A 66 74.473 1.415 3.229 1.00 0.00 O ATOM 1050 CB ASP A 66 75.627 2.514 5.954 1.00 0.00 C ATOM 1051 CG ASP A 66 74.800 2.370 7.233 1.00 0.00 C ATOM 1052 OD1 ASP A 66 74.255 1.300 7.445 1.00 0.00 O ATOM 1053 OD2 ASP A 66 74.726 3.333 7.978 1.00 0.00 O ATOM 0 H ASP A 66 76.978 1.930 3.705 1.00 0.00 H new ATOM 0 HA ASP A 66 75.745 0.332 5.966 1.00 0.00 H new ATOM 0 HB2 ASP A 66 76.623 2.887 6.193 1.00 0.00 H new ATOM 0 HB3 ASP A 66 75.164 3.244 5.290 1.00 0.00 H new ATOM 1058 N ALA A 67 73.544 0.207 4.812 1.00 0.00 N ATOM 1059 CA ALA A 67 72.340 -0.046 3.976 1.00 0.00 C ATOM 1060 C ALA A 67 71.143 -0.387 4.866 1.00 0.00 C ATOM 1061 O ALA A 67 70.630 -1.490 4.841 1.00 0.00 O ATOM 1062 CB ALA A 67 72.714 -1.237 3.093 1.00 0.00 C ATOM 0 H ALA A 67 73.529 -0.222 5.737 1.00 0.00 H new ATOM 0 HA ALA A 67 72.056 0.824 3.384 1.00 0.00 H new ATOM 0 HB1 ALA A 67 71.874 -1.487 2.444 1.00 0.00 H new ATOM 0 HB2 ALA A 67 73.580 -0.980 2.483 1.00 0.00 H new ATOM 0 HB3 ALA A 67 72.954 -2.095 3.721 1.00 0.00 H new ATOM 1068 N ASP A 68 70.691 0.551 5.653 1.00 0.00 N ATOM 1069 CA ASP A 68 69.528 0.285 6.545 1.00 0.00 C ATOM 1070 C ASP A 68 69.129 1.589 7.224 1.00 0.00 C ATOM 1071 O ASP A 68 68.606 1.606 8.320 1.00 0.00 O ATOM 1072 CB ASP A 68 70.033 -0.729 7.572 1.00 0.00 C ATOM 1073 CG ASP A 68 71.127 -0.085 8.426 1.00 0.00 C ATOM 1074 OD1 ASP A 68 71.747 0.853 7.952 1.00 0.00 O ATOM 1075 OD2 ASP A 68 71.326 -0.540 9.541 1.00 0.00 O ATOM 0 H ASP A 68 71.078 1.492 5.716 1.00 0.00 H new ATOM 0 HA ASP A 68 68.657 -0.096 6.013 1.00 0.00 H new ATOM 0 HB2 ASP A 68 69.211 -1.062 8.205 1.00 0.00 H new ATOM 0 HB3 ASP A 68 70.424 -1.612 7.066 1.00 0.00 H new ATOM 1080 N CYS A 69 69.397 2.683 6.570 1.00 0.00 N ATOM 1081 CA CYS A 69 69.072 4.007 7.141 1.00 0.00 C ATOM 1082 C CYS A 69 69.378 4.030 8.638 1.00 0.00 C ATOM 1083 O CYS A 69 68.720 4.698 9.411 1.00 0.00 O ATOM 1084 CB CYS A 69 67.579 4.210 6.881 1.00 0.00 C ATOM 1085 SG CYS A 69 67.348 5.589 5.731 1.00 0.00 S ATOM 0 H CYS A 69 69.835 2.710 5.649 1.00 0.00 H new ATOM 0 HA CYS A 69 69.664 4.803 6.690 1.00 0.00 H new ATOM 0 HB2 CYS A 69 67.144 3.300 6.467 1.00 0.00 H new ATOM 0 HB3 CYS A 69 67.060 4.413 7.818 1.00 0.00 H new ATOM 0 HG CYS A 69 66.079 5.760 5.508 1.00 0.00 H new ATOM 1091 N ASP A 70 70.381 3.306 9.049 1.00 0.00 N ATOM 1092 CA ASP A 70 70.745 3.280 10.492 1.00 0.00 C ATOM 1093 C ASP A 70 71.755 4.389 10.793 1.00 0.00 C ATOM 1094 O ASP A 70 71.791 4.934 11.877 1.00 0.00 O ATOM 1095 CB ASP A 70 71.373 1.905 10.719 1.00 0.00 C ATOM 1096 CG ASP A 70 72.107 1.891 12.061 1.00 0.00 C ATOM 1097 OD1 ASP A 70 71.592 2.476 13.001 1.00 0.00 O ATOM 1098 OD2 ASP A 70 73.171 1.297 12.128 1.00 0.00 O ATOM 0 H ASP A 70 70.966 2.729 8.445 1.00 0.00 H new ATOM 0 HA ASP A 70 69.885 3.444 11.142 1.00 0.00 H new ATOM 0 HB2 ASP A 70 70.601 1.135 10.707 1.00 0.00 H new ATOM 0 HB3 ASP A 70 72.067 1.673 9.911 1.00 0.00 H new ATOM 1103 N GLY A 71 72.575 4.728 9.834 1.00 0.00 N ATOM 1104 CA GLY A 71 73.582 5.805 10.059 1.00 0.00 C ATOM 1105 C GLY A 71 74.806 5.233 10.779 1.00 0.00 C ATOM 1106 O GLY A 71 75.833 5.875 10.875 1.00 0.00 O ATOM 0 H GLY A 71 72.591 4.306 8.906 1.00 0.00 H new ATOM 0 HA2 GLY A 71 73.881 6.240 9.105 1.00 0.00 H new ATOM 0 HA3 GLY A 71 73.143 6.607 10.652 1.00 0.00 H new ATOM 1110 N ALA A 72 74.709 4.036 11.287 1.00 0.00 N ATOM 1111 CA ALA A 72 75.866 3.430 11.999 1.00 0.00 C ATOM 1112 C ALA A 72 76.386 2.221 11.219 1.00 0.00 C ATOM 1113 O ALA A 72 75.693 1.657 10.395 1.00 0.00 O ATOM 1114 CB ALA A 72 75.309 2.991 13.353 1.00 0.00 C ATOM 0 H ALA A 72 73.875 3.450 11.239 1.00 0.00 H new ATOM 0 HA ALA A 72 76.699 4.125 12.106 1.00 0.00 H new ATOM 0 HB1 ALA A 72 76.103 2.532 13.942 1.00 0.00 H new ATOM 0 HB2 ALA A 72 74.919 3.859 13.885 1.00 0.00 H new ATOM 0 HB3 ALA A 72 74.507 2.269 13.200 1.00 0.00 H new ATOM 1120 N LEU A 73 77.600 1.819 11.469 1.00 0.00 N ATOM 1121 CA LEU A 73 78.159 0.646 10.738 1.00 0.00 C ATOM 1122 C LEU A 73 78.867 -0.304 11.707 1.00 0.00 C ATOM 1123 O LEU A 73 79.992 -0.076 12.103 1.00 0.00 O ATOM 1124 CB LEU A 73 79.154 1.240 9.742 1.00 0.00 C ATOM 1125 CG LEU A 73 78.397 2.075 8.711 1.00 0.00 C ATOM 1126 CD1 LEU A 73 78.254 3.506 9.227 1.00 0.00 C ATOM 1127 CD2 LEU A 73 79.171 2.086 7.391 1.00 0.00 C ATOM 0 H LEU A 73 78.229 2.250 12.146 1.00 0.00 H new ATOM 0 HA LEU A 73 77.383 0.063 10.242 1.00 0.00 H new ATOM 0 HB2 LEU A 73 79.883 1.859 10.264 1.00 0.00 H new ATOM 0 HB3 LEU A 73 79.709 0.444 9.246 1.00 0.00 H new ATOM 0 HG LEU A 73 77.410 1.643 8.548 1.00 0.00 H new ATOM 0 HD11 LEU A 73 77.714 4.105 8.494 1.00 0.00 H new ATOM 0 HD12 LEU A 73 77.703 3.500 10.167 1.00 0.00 H new ATOM 0 HD13 LEU A 73 79.243 3.935 9.389 1.00 0.00 H new ATOM 0 HD21 LEU A 73 78.629 2.682 6.657 1.00 0.00 H new ATOM 0 HD22 LEU A 73 80.159 2.518 7.552 1.00 0.00 H new ATOM 0 HD23 LEU A 73 79.277 1.066 7.023 1.00 0.00 H new ATOM 1139 N THR A 74 78.220 -1.372 12.081 1.00 0.00 N ATOM 1140 CA THR A 74 78.861 -2.342 13.017 1.00 0.00 C ATOM 1141 C THR A 74 80.301 -2.611 12.575 1.00 0.00 C ATOM 1142 O THR A 74 80.712 -2.210 11.505 1.00 0.00 O ATOM 1143 CB THR A 74 78.019 -3.615 12.900 1.00 0.00 C ATOM 1144 OG1 THR A 74 78.201 -4.182 11.610 1.00 0.00 O ATOM 1145 CG2 THR A 74 76.542 -3.276 13.105 1.00 0.00 C ATOM 0 H THR A 74 77.276 -1.617 11.781 1.00 0.00 H new ATOM 0 HA THR A 74 78.901 -1.973 14.042 1.00 0.00 H new ATOM 0 HB THR A 74 78.333 -4.329 13.661 1.00 0.00 H new ATOM 0 HG1 THR A 74 78.050 -5.149 11.654 1.00 0.00 H new ATOM 0 HG21 THR A 74 75.945 -4.184 13.021 1.00 0.00 H new ATOM 0 HG22 THR A 74 76.403 -2.840 14.094 1.00 0.00 H new ATOM 0 HG23 THR A 74 76.224 -2.561 12.346 1.00 0.00 H new ATOM 1153 N LEU A 75 81.075 -3.290 13.379 1.00 0.00 N ATOM 1154 CA LEU A 75 82.479 -3.579 12.968 1.00 0.00 C ATOM 1155 C LEU A 75 82.477 -4.252 11.594 1.00 0.00 C ATOM 1156 O LEU A 75 83.232 -3.874 10.718 1.00 0.00 O ATOM 1157 CB LEU A 75 83.035 -4.526 14.033 1.00 0.00 C ATOM 1158 CG LEU A 75 84.513 -4.210 14.272 1.00 0.00 C ATOM 1159 CD1 LEU A 75 84.640 -3.044 15.252 1.00 0.00 C ATOM 1160 CD2 LEU A 75 85.211 -5.441 14.853 1.00 0.00 C ATOM 0 H LEU A 75 80.800 -3.653 14.292 1.00 0.00 H new ATOM 0 HA LEU A 75 83.084 -2.676 12.891 1.00 0.00 H new ATOM 0 HB2 LEU A 75 82.474 -4.417 14.961 1.00 0.00 H new ATOM 0 HB3 LEU A 75 82.920 -5.561 13.711 1.00 0.00 H new ATOM 0 HG LEU A 75 84.980 -3.938 13.325 1.00 0.00 H new ATOM 0 HD11 LEU A 75 85.694 -2.822 15.419 1.00 0.00 H new ATOM 0 HD12 LEU A 75 84.146 -2.165 14.838 1.00 0.00 H new ATOM 0 HD13 LEU A 75 84.171 -3.312 16.199 1.00 0.00 H new ATOM 0 HD21 LEU A 75 86.264 -5.216 15.023 1.00 0.00 H new ATOM 0 HD22 LEU A 75 84.741 -5.714 15.798 1.00 0.00 H new ATOM 0 HD23 LEU A 75 85.126 -6.272 14.152 1.00 0.00 H new ATOM 1172 N PRO A 76 81.614 -5.223 11.445 1.00 0.00 N ATOM 1173 CA PRO A 76 81.502 -5.947 10.156 1.00 0.00 C ATOM 1174 C PRO A 76 81.184 -4.962 9.030 1.00 0.00 C ATOM 1175 O PRO A 76 81.582 -5.150 7.897 1.00 0.00 O ATOM 1176 CB PRO A 76 80.339 -6.916 10.371 1.00 0.00 C ATOM 1177 CG PRO A 76 80.166 -7.014 11.852 1.00 0.00 C ATOM 1178 CD PRO A 76 80.666 -5.726 12.444 1.00 0.00 C ATOM 0 HA PRO A 76 82.421 -6.460 9.874 1.00 0.00 H new ATOM 0 HB2 PRO A 76 79.430 -6.550 9.894 1.00 0.00 H new ATOM 0 HB3 PRO A 76 80.556 -7.892 9.936 1.00 0.00 H new ATOM 0 HG2 PRO A 76 79.118 -7.174 12.107 1.00 0.00 H new ATOM 0 HG3 PRO A 76 80.724 -7.862 12.249 1.00 0.00 H new ATOM 0 HD2 PRO A 76 79.852 -5.021 12.612 1.00 0.00 H new ATOM 0 HD3 PRO A 76 81.150 -5.890 13.407 1.00 0.00 H new ATOM 1186 N GLU A 77 80.468 -3.910 9.331 1.00 0.00 N ATOM 1187 CA GLU A 77 80.130 -2.918 8.270 1.00 0.00 C ATOM 1188 C GLU A 77 81.363 -2.077 7.927 1.00 0.00 C ATOM 1189 O GLU A 77 81.566 -1.682 6.795 1.00 0.00 O ATOM 1190 CB GLU A 77 79.030 -2.045 8.878 1.00 0.00 C ATOM 1191 CG GLU A 77 77.668 -2.706 8.651 1.00 0.00 C ATOM 1192 CD GLU A 77 76.559 -1.777 9.149 1.00 0.00 C ATOM 1193 OE1 GLU A 77 76.350 -0.748 8.527 1.00 0.00 O ATOM 1194 OE2 GLU A 77 75.937 -2.110 10.144 1.00 0.00 O ATOM 0 H GLU A 77 80.105 -3.696 10.260 1.00 0.00 H new ATOM 0 HA GLU A 77 79.803 -3.393 7.345 1.00 0.00 H new ATOM 0 HB2 GLU A 77 79.207 -1.910 9.945 1.00 0.00 H new ATOM 0 HB3 GLU A 77 79.045 -1.054 8.424 1.00 0.00 H new ATOM 0 HG2 GLU A 77 77.528 -2.921 7.591 1.00 0.00 H new ATOM 0 HG3 GLU A 77 77.622 -3.659 9.178 1.00 0.00 H new ATOM 1201 N PHE A 78 82.191 -1.804 8.899 1.00 0.00 N ATOM 1202 CA PHE A 78 83.414 -0.991 8.634 1.00 0.00 C ATOM 1203 C PHE A 78 84.449 -1.824 7.872 1.00 0.00 C ATOM 1204 O PHE A 78 85.318 -1.294 7.208 1.00 0.00 O ATOM 1205 CB PHE A 78 83.940 -0.616 10.019 1.00 0.00 C ATOM 1206 CG PHE A 78 85.286 0.054 9.888 1.00 0.00 C ATOM 1207 CD1 PHE A 78 86.424 -0.709 9.600 1.00 0.00 C ATOM 1208 CD2 PHE A 78 85.395 1.439 10.054 1.00 0.00 C ATOM 1209 CE1 PHE A 78 87.673 -0.086 9.482 1.00 0.00 C ATOM 1210 CE2 PHE A 78 86.642 2.062 9.937 1.00 0.00 C ATOM 1211 CZ PHE A 78 87.781 1.300 9.650 1.00 0.00 C ATOM 0 H PHE A 78 82.074 -2.109 9.865 1.00 0.00 H new ATOM 0 HA PHE A 78 83.205 -0.113 8.023 1.00 0.00 H new ATOM 0 HB2 PHE A 78 83.237 0.052 10.517 1.00 0.00 H new ATOM 0 HB3 PHE A 78 84.026 -1.508 10.640 1.00 0.00 H new ATOM 0 HD1 PHE A 78 86.339 -1.778 9.469 1.00 0.00 H new ATOM 0 HD2 PHE A 78 84.516 2.027 10.273 1.00 0.00 H new ATOM 0 HE1 PHE A 78 88.552 -0.674 9.262 1.00 0.00 H new ATOM 0 HE2 PHE A 78 86.726 3.131 10.068 1.00 0.00 H new ATOM 0 HZ PHE A 78 88.743 1.781 9.558 1.00 0.00 H new ATOM 1221 N CYS A 79 84.363 -3.123 7.961 1.00 0.00 N ATOM 1222 CA CYS A 79 85.344 -3.985 7.240 1.00 0.00 C ATOM 1223 C CYS A 79 85.300 -3.695 5.736 1.00 0.00 C ATOM 1224 O CYS A 79 86.303 -3.381 5.126 1.00 0.00 O ATOM 1225 CB CYS A 79 84.895 -5.418 7.525 1.00 0.00 C ATOM 1226 SG CYS A 79 86.324 -6.526 7.442 1.00 0.00 S ATOM 0 H CYS A 79 83.658 -3.625 8.501 1.00 0.00 H new ATOM 0 HA CYS A 79 86.369 -3.807 7.566 1.00 0.00 H new ATOM 0 HB2 CYS A 79 84.433 -5.476 8.510 1.00 0.00 H new ATOM 0 HB3 CYS A 79 84.141 -5.725 6.800 1.00 0.00 H new ATOM 0 HG CYS A 79 86.004 -7.598 6.781 1.00 0.00 H new ATOM 1232 N ALA A 80 84.147 -3.798 5.135 1.00 0.00 N ATOM 1233 CA ALA A 80 84.041 -3.530 3.671 1.00 0.00 C ATOM 1234 C ALA A 80 84.249 -2.040 3.388 1.00 0.00 C ATOM 1235 O ALA A 80 84.760 -1.660 2.353 1.00 0.00 O ATOM 1236 CB ALA A 80 82.622 -3.953 3.293 1.00 0.00 C ATOM 0 H ALA A 80 83.273 -4.056 5.593 1.00 0.00 H new ATOM 0 HA ALA A 80 84.795 -4.070 3.098 1.00 0.00 H new ATOM 0 HB1 ALA A 80 82.464 -3.786 2.227 1.00 0.00 H new ATOM 0 HB2 ALA A 80 82.485 -5.010 3.519 1.00 0.00 H new ATOM 0 HB3 ALA A 80 81.903 -3.364 3.863 1.00 0.00 H new ATOM 1242 N ALA A 81 83.854 -1.196 4.298 1.00 0.00 N ATOM 1243 CA ALA A 81 84.025 0.270 4.083 1.00 0.00 C ATOM 1244 C ALA A 81 85.478 0.589 3.720 1.00 0.00 C ATOM 1245 O ALA A 81 85.765 1.103 2.657 1.00 0.00 O ATOM 1246 CB ALA A 81 83.654 0.909 5.421 1.00 0.00 C ATOM 0 H ALA A 81 83.419 -1.457 5.183 1.00 0.00 H new ATOM 0 HA ALA A 81 83.407 0.642 3.266 1.00 0.00 H new ATOM 0 HB1 ALA A 81 83.754 1.992 5.347 1.00 0.00 H new ATOM 0 HB2 ALA A 81 82.624 0.656 5.672 1.00 0.00 H new ATOM 0 HB3 ALA A 81 84.319 0.536 6.199 1.00 0.00 H new ATOM 1252 N PHE A 82 86.397 0.293 4.598 1.00 0.00 N ATOM 1253 CA PHE A 82 87.832 0.584 4.307 1.00 0.00 C ATOM 1254 C PHE A 82 88.343 -0.324 3.184 1.00 0.00 C ATOM 1255 O PHE A 82 89.363 -0.060 2.578 1.00 0.00 O ATOM 1256 CB PHE A 82 88.567 0.284 5.614 1.00 0.00 C ATOM 1257 CG PHE A 82 89.316 1.514 6.066 1.00 0.00 C ATOM 1258 CD1 PHE A 82 88.611 2.625 6.549 1.00 0.00 C ATOM 1259 CD2 PHE A 82 90.714 1.547 6.003 1.00 0.00 C ATOM 1260 CE1 PHE A 82 89.304 3.767 6.967 1.00 0.00 C ATOM 1261 CE2 PHE A 82 91.407 2.689 6.422 1.00 0.00 C ATOM 1262 CZ PHE A 82 90.703 3.798 6.903 1.00 0.00 C ATOM 0 H PHE A 82 86.217 -0.138 5.505 1.00 0.00 H new ATOM 0 HA PHE A 82 87.986 1.611 3.976 1.00 0.00 H new ATOM 0 HB2 PHE A 82 87.856 -0.024 6.381 1.00 0.00 H new ATOM 0 HB3 PHE A 82 89.260 -0.545 5.471 1.00 0.00 H new ATOM 0 HD1 PHE A 82 87.532 2.600 6.599 1.00 0.00 H new ATOM 0 HD2 PHE A 82 91.258 0.691 5.631 1.00 0.00 H new ATOM 0 HE1 PHE A 82 88.761 4.623 7.338 1.00 0.00 H new ATOM 0 HE2 PHE A 82 92.486 2.714 6.374 1.00 0.00 H new ATOM 0 HZ PHE A 82 91.239 4.679 7.225 1.00 0.00 H new ATOM 1272 N HIS A 83 87.648 -1.391 2.902 1.00 0.00 N ATOM 1273 CA HIS A 83 88.099 -2.313 1.820 1.00 0.00 C ATOM 1274 C HIS A 83 87.892 -1.668 0.446 1.00 0.00 C ATOM 1275 O HIS A 83 88.523 -2.039 -0.524 1.00 0.00 O ATOM 1276 CB HIS A 83 87.219 -3.554 1.962 1.00 0.00 C ATOM 1277 CG HIS A 83 87.663 -4.357 3.154 1.00 0.00 C ATOM 1278 ND1 HIS A 83 88.832 -4.075 3.844 1.00 0.00 N ATOM 1279 CD2 HIS A 83 87.103 -5.436 3.791 1.00 0.00 C ATOM 1280 CE1 HIS A 83 88.936 -4.967 4.847 1.00 0.00 C ATOM 1281 NE2 HIS A 83 87.908 -5.820 4.859 1.00 0.00 N ATOM 0 H HIS A 83 86.786 -1.665 3.374 1.00 0.00 H new ATOM 0 HA HIS A 83 89.160 -2.551 1.902 1.00 0.00 H new ATOM 0 HB2 HIS A 83 86.176 -3.260 2.077 1.00 0.00 H new ATOM 0 HB3 HIS A 83 87.281 -4.161 1.059 1.00 0.00 H new ATOM 0 HD2 HIS A 83 86.178 -5.915 3.506 1.00 0.00 H new ATOM 0 HE1 HIS A 83 89.751 -4.990 5.555 1.00 0.00 H new ATOM 0 HE2 HIS A 83 87.748 -6.588 5.511 1.00 0.00 H new ATOM 1289 N LEU A 84 87.013 -0.709 0.354 1.00 0.00 N ATOM 1290 CA LEU A 84 86.767 -0.049 -0.962 1.00 0.00 C ATOM 1291 C LEU A 84 87.609 1.225 -1.087 1.00 0.00 C ATOM 1292 O LEU A 84 88.286 1.436 -2.073 1.00 0.00 O ATOM 1293 CB LEU A 84 85.275 0.288 -0.963 1.00 0.00 C ATOM 1294 CG LEU A 84 84.483 -0.898 -1.521 1.00 0.00 C ATOM 1295 CD1 LEU A 84 83.296 -1.199 -0.605 1.00 0.00 C ATOM 1296 CD2 LEU A 84 83.970 -0.555 -2.921 1.00 0.00 C ATOM 0 H LEU A 84 86.455 -0.353 1.130 1.00 0.00 H new ATOM 0 HA LEU A 84 87.041 -0.689 -1.801 1.00 0.00 H new ATOM 0 HB2 LEU A 84 84.942 0.517 0.050 1.00 0.00 H new ATOM 0 HB3 LEU A 84 85.093 1.177 -1.567 1.00 0.00 H new ATOM 0 HG LEU A 84 85.131 -1.773 -1.574 1.00 0.00 H new ATOM 0 HD11 LEU A 84 82.734 -2.043 -1.004 1.00 0.00 H new ATOM 0 HD12 LEU A 84 83.660 -1.444 0.393 1.00 0.00 H new ATOM 0 HD13 LEU A 84 82.648 -0.325 -0.550 1.00 0.00 H new ATOM 0 HD21 LEU A 84 83.406 -1.399 -3.319 1.00 0.00 H new ATOM 0 HD22 LEU A 84 83.323 0.321 -2.867 1.00 0.00 H new ATOM 0 HD23 LEU A 84 84.815 -0.342 -3.576 1.00 0.00 H new ATOM 1308 N ILE A 85 87.571 2.074 -0.097 1.00 0.00 N ATOM 1309 CA ILE A 85 88.371 3.332 -0.166 1.00 0.00 C ATOM 1310 C ILE A 85 89.794 3.028 -0.644 1.00 0.00 C ATOM 1311 O ILE A 85 90.275 3.609 -1.596 1.00 0.00 O ATOM 1312 CB ILE A 85 88.388 3.872 1.265 1.00 0.00 C ATOM 1313 CG1 ILE A 85 87.018 4.467 1.600 1.00 0.00 C ATOM 1314 CG2 ILE A 85 89.459 4.959 1.386 1.00 0.00 C ATOM 1315 CD1 ILE A 85 86.385 3.677 2.747 1.00 0.00 C ATOM 0 H ILE A 85 87.023 1.953 0.755 1.00 0.00 H new ATOM 0 HA ILE A 85 87.948 4.052 -0.867 1.00 0.00 H new ATOM 0 HB ILE A 85 88.612 3.061 1.958 1.00 0.00 H new ATOM 0 HG12 ILE A 85 87.124 5.515 1.881 1.00 0.00 H new ATOM 0 HG13 ILE A 85 86.372 4.436 0.723 1.00 0.00 H new ATOM 0 HG21 ILE A 85 89.472 5.345 2.405 1.00 0.00 H new ATOM 0 HG22 ILE A 85 90.435 4.537 1.145 1.00 0.00 H new ATOM 0 HG23 ILE A 85 89.234 5.770 0.694 1.00 0.00 H new ATOM 0 HD11 ILE A 85 85.409 4.101 2.986 1.00 0.00 H new ATOM 0 HD12 ILE A 85 86.265 2.635 2.449 1.00 0.00 H new ATOM 0 HD13 ILE A 85 87.029 3.731 3.625 1.00 0.00 H new ATOM 1327 N VAL A 86 90.472 2.123 0.008 1.00 0.00 N ATOM 1328 CA VAL A 86 91.862 1.787 -0.414 1.00 0.00 C ATOM 1329 C VAL A 86 91.839 0.998 -1.726 1.00 0.00 C ATOM 1330 O VAL A 86 92.801 0.977 -2.465 1.00 0.00 O ATOM 1331 CB VAL A 86 92.423 0.926 0.716 1.00 0.00 C ATOM 1332 CG1 VAL A 86 93.902 0.639 0.453 1.00 0.00 C ATOM 1333 CG2 VAL A 86 92.276 1.672 2.044 1.00 0.00 C ATOM 0 H VAL A 86 90.124 1.602 0.813 1.00 0.00 H new ATOM 0 HA VAL A 86 92.467 2.677 -0.587 1.00 0.00 H new ATOM 0 HB VAL A 86 91.874 -0.015 0.764 1.00 0.00 H new ATOM 0 HG11 VAL A 86 94.302 0.025 1.259 1.00 0.00 H new ATOM 0 HG12 VAL A 86 94.007 0.109 -0.494 1.00 0.00 H new ATOM 0 HG13 VAL A 86 94.452 1.579 0.405 1.00 0.00 H new ATOM 0 HG21 VAL A 86 92.676 1.059 2.852 1.00 0.00 H new ATOM 0 HG22 VAL A 86 92.825 2.612 1.996 1.00 0.00 H new ATOM 0 HG23 VAL A 86 91.222 1.877 2.232 1.00 0.00 H new ATOM 1343 N ALA A 87 90.745 0.350 -2.017 1.00 0.00 N ATOM 1344 CA ALA A 87 90.658 -0.435 -3.282 1.00 0.00 C ATOM 1345 C ALA A 87 90.937 0.468 -4.487 1.00 0.00 C ATOM 1346 O ALA A 87 91.187 0.000 -5.581 1.00 0.00 O ATOM 1347 CB ALA A 87 89.223 -0.959 -3.321 1.00 0.00 C ATOM 0 H ALA A 87 89.908 0.330 -1.435 1.00 0.00 H new ATOM 0 HA ALA A 87 91.388 -1.243 -3.320 1.00 0.00 H new ATOM 0 HB1 ALA A 87 89.076 -1.550 -4.225 1.00 0.00 H new ATOM 0 HB2 ALA A 87 89.040 -1.583 -2.446 1.00 0.00 H new ATOM 0 HB3 ALA A 87 88.529 -0.119 -3.320 1.00 0.00 H new ATOM 1353 N ARG A 88 90.893 1.760 -4.296 1.00 0.00 N ATOM 1354 CA ARG A 88 91.155 2.693 -5.430 1.00 0.00 C ATOM 1355 C ARG A 88 92.582 2.504 -5.957 1.00 0.00 C ATOM 1356 O ARG A 88 92.792 1.997 -7.041 1.00 0.00 O ATOM 1357 CB ARG A 88 90.985 4.092 -4.835 1.00 0.00 C ATOM 1358 CG ARG A 88 90.019 4.903 -5.701 1.00 0.00 C ATOM 1359 CD ARG A 88 88.584 4.664 -5.228 1.00 0.00 C ATOM 1360 NE ARG A 88 87.882 4.085 -6.407 1.00 0.00 N ATOM 1361 CZ ARG A 88 88.016 2.817 -6.686 1.00 0.00 C ATOM 1362 NH1 ARG A 88 87.695 1.917 -5.799 1.00 0.00 N ATOM 1363 NH2 ARG A 88 88.469 2.450 -7.853 1.00 0.00 N ATOM 0 H ARG A 88 90.687 2.209 -3.404 1.00 0.00 H new ATOM 0 HA ARG A 88 90.483 2.520 -6.270 1.00 0.00 H new ATOM 0 HB2 ARG A 88 90.604 4.021 -3.816 1.00 0.00 H new ATOM 0 HB3 ARG A 88 91.950 4.595 -4.780 1.00 0.00 H new ATOM 0 HG2 ARG A 88 90.262 5.964 -5.639 1.00 0.00 H new ATOM 0 HG3 ARG A 88 90.121 4.613 -6.747 1.00 0.00 H new ATOM 0 HD2 ARG A 88 88.557 3.982 -4.378 1.00 0.00 H new ATOM 0 HD3 ARG A 88 88.114 5.593 -4.906 1.00 0.00 H new ATOM 0 HE ARG A 88 87.297 4.678 -6.996 1.00 0.00 H new ATOM 0 HH11 ARG A 88 87.339 2.204 -4.887 1.00 0.00 H new ATOM 0 HH12 ARG A 88 87.800 0.926 -6.017 1.00 0.00 H new ATOM 0 HH21 ARG A 88 88.719 3.154 -8.548 1.00 0.00 H new ATOM 0 HH22 ARG A 88 88.574 1.459 -8.071 1.00 0.00 H new ATOM 1377 N LYS A 89 93.566 2.909 -5.197 1.00 0.00 N ATOM 1378 CA LYS A 89 94.977 2.753 -5.656 1.00 0.00 C ATOM 1379 C LYS A 89 95.272 1.285 -5.977 1.00 0.00 C ATOM 1380 O LYS A 89 95.556 0.930 -7.103 1.00 0.00 O ATOM 1381 CB LYS A 89 95.831 3.226 -4.479 1.00 0.00 C ATOM 1382 CG LYS A 89 95.659 4.734 -4.294 1.00 0.00 C ATOM 1383 CD LYS A 89 95.893 5.442 -5.631 1.00 0.00 C ATOM 1384 CE LYS A 89 96.016 6.949 -5.396 1.00 0.00 C ATOM 1385 NZ LYS A 89 97.450 7.260 -5.650 1.00 0.00 N ATOM 0 H LYS A 89 93.453 3.340 -4.280 1.00 0.00 H new ATOM 0 HA LYS A 89 95.180 3.322 -6.563 1.00 0.00 H new ATOM 0 HB2 LYS A 89 95.537 2.702 -3.570 1.00 0.00 H new ATOM 0 HB3 LYS A 89 96.880 2.989 -4.659 1.00 0.00 H new ATOM 0 HG2 LYS A 89 94.658 4.954 -3.924 1.00 0.00 H new ATOM 0 HG3 LYS A 89 96.363 5.102 -3.547 1.00 0.00 H new ATOM 0 HD2 LYS A 89 96.799 5.062 -6.102 1.00 0.00 H new ATOM 0 HD3 LYS A 89 95.068 5.236 -6.313 1.00 0.00 H new ATOM 0 HE2 LYS A 89 95.365 7.508 -6.068 1.00 0.00 H new ATOM 0 HE3 LYS A 89 95.728 7.215 -4.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 97.615 8.277 -5.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 98.045 6.718 -4.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 97.693 7.002 -6.628 1.00 0.00 H new ATOM 1399 N ASN A 90 95.210 0.431 -4.992 1.00 0.00 N ATOM 1400 CA ASN A 90 95.488 -1.015 -5.237 1.00 0.00 C ATOM 1401 C ASN A 90 94.794 -1.480 -6.520 1.00 0.00 C ATOM 1402 O ASN A 90 95.223 -2.417 -7.164 1.00 0.00 O ATOM 1403 CB ASN A 90 94.912 -1.737 -4.019 1.00 0.00 C ATOM 1404 CG ASN A 90 96.052 -2.315 -3.179 1.00 0.00 C ATOM 1405 OD1 ASN A 90 97.169 -1.839 -3.240 1.00 0.00 O ATOM 1406 ND2 ASN A 90 95.818 -3.329 -2.392 1.00 0.00 N ATOM 0 H ASN A 90 94.979 0.671 -4.028 1.00 0.00 H new ATOM 0 HA ASN A 90 96.551 -1.217 -5.366 1.00 0.00 H new ATOM 0 HB2 ASN A 90 94.320 -1.045 -3.420 1.00 0.00 H new ATOM 0 HB3 ASN A 90 94.242 -2.535 -4.340 1.00 0.00 H new ATOM 0 HD21 ASN A 90 96.572 -3.722 -1.828 1.00 0.00 H new ATOM 0 HD22 ASN A 90 94.881 -3.729 -2.340 1.00 0.00 H new ATOM 1413 N GLY A 91 93.726 -0.833 -6.899 1.00 0.00 N ATOM 1414 CA GLY A 91 93.008 -1.241 -8.140 1.00 0.00 C ATOM 1415 C GLY A 91 92.178 -2.495 -7.863 1.00 0.00 C ATOM 1416 O GLY A 91 91.860 -3.253 -8.758 1.00 0.00 O ATOM 0 H GLY A 91 93.320 -0.040 -6.403 1.00 0.00 H new ATOM 0 HA2 GLY A 91 92.361 -0.432 -8.481 1.00 0.00 H new ATOM 0 HA3 GLY A 91 93.723 -1.435 -8.939 1.00 0.00 H new ATOM 1420 N TYR A 92 91.823 -2.720 -6.628 1.00 0.00 N ATOM 1421 CA TYR A 92 91.014 -3.928 -6.290 1.00 0.00 C ATOM 1422 C TYR A 92 89.881 -4.112 -7.304 1.00 0.00 C ATOM 1423 O TYR A 92 88.951 -3.330 -7.345 1.00 0.00 O ATOM 1424 CB TYR A 92 90.448 -3.646 -4.899 1.00 0.00 C ATOM 1425 CG TYR A 92 90.684 -4.842 -4.011 1.00 0.00 C ATOM 1426 CD1 TYR A 92 90.354 -6.126 -4.463 1.00 0.00 C ATOM 1427 CD2 TYR A 92 91.232 -4.669 -2.735 1.00 0.00 C ATOM 1428 CE1 TYR A 92 90.574 -7.235 -3.640 1.00 0.00 C ATOM 1429 CE2 TYR A 92 91.451 -5.779 -1.910 1.00 0.00 C ATOM 1430 CZ TYR A 92 91.122 -7.063 -2.364 1.00 0.00 C ATOM 1431 OH TYR A 92 91.336 -8.156 -1.550 1.00 0.00 O ATOM 0 H TYR A 92 92.058 -2.120 -5.837 1.00 0.00 H new ATOM 0 HA TYR A 92 91.608 -4.842 -6.313 1.00 0.00 H new ATOM 0 HB2 TYR A 92 90.924 -2.763 -4.473 1.00 0.00 H new ATOM 0 HB3 TYR A 92 89.381 -3.433 -4.965 1.00 0.00 H new ATOM 0 HD1 TYR A 92 89.930 -6.260 -5.447 1.00 0.00 H new ATOM 0 HD2 TYR A 92 91.486 -3.679 -2.386 1.00 0.00 H new ATOM 0 HE1 TYR A 92 90.321 -8.225 -3.990 1.00 0.00 H new ATOM 0 HE2 TYR A 92 91.873 -5.646 -0.925 1.00 0.00 H new ATOM 0 HH TYR A 92 91.723 -7.860 -0.700 1.00 0.00 H new ATOM 1441 N PRO A 93 89.999 -5.149 -8.089 1.00 0.00 N ATOM 1442 CA PRO A 93 88.971 -5.444 -9.113 1.00 0.00 C ATOM 1443 C PRO A 93 87.737 -6.073 -8.460 1.00 0.00 C ATOM 1444 O PRO A 93 87.662 -7.272 -8.282 1.00 0.00 O ATOM 1445 CB PRO A 93 89.658 -6.437 -10.046 1.00 0.00 C ATOM 1446 CG PRO A 93 90.772 -7.048 -9.249 1.00 0.00 C ATOM 1447 CD PRO A 93 91.087 -6.129 -8.094 1.00 0.00 C ATOM 0 HA PRO A 93 88.621 -4.554 -9.636 1.00 0.00 H new ATOM 0 HB2 PRO A 93 88.958 -7.200 -10.388 1.00 0.00 H new ATOM 0 HB3 PRO A 93 90.043 -5.936 -10.934 1.00 0.00 H new ATOM 0 HG2 PRO A 93 90.481 -8.033 -8.883 1.00 0.00 H new ATOM 0 HG3 PRO A 93 91.654 -7.188 -9.874 1.00 0.00 H new ATOM 0 HD2 PRO A 93 91.130 -6.677 -7.153 1.00 0.00 H new ATOM 0 HD3 PRO A 93 92.055 -5.645 -8.226 1.00 0.00 H new ATOM 1455 N LEU A 94 86.772 -5.272 -8.099 1.00 0.00 N ATOM 1456 CA LEU A 94 85.547 -5.827 -7.457 1.00 0.00 C ATOM 1457 C LEU A 94 84.303 -5.446 -8.270 1.00 0.00 C ATOM 1458 O LEU A 94 84.051 -4.282 -8.510 1.00 0.00 O ATOM 1459 CB LEU A 94 85.503 -5.183 -6.069 1.00 0.00 C ATOM 1460 CG LEU A 94 85.428 -3.660 -6.208 1.00 0.00 C ATOM 1461 CD1 LEU A 94 84.105 -3.157 -5.627 1.00 0.00 C ATOM 1462 CD2 LEU A 94 86.592 -3.014 -5.450 1.00 0.00 C ATOM 0 H LEU A 94 86.779 -4.259 -8.221 1.00 0.00 H new ATOM 0 HA LEU A 94 85.565 -6.915 -7.401 1.00 0.00 H new ATOM 0 HB2 LEU A 94 84.639 -5.550 -5.515 1.00 0.00 H new ATOM 0 HB3 LEU A 94 86.389 -5.463 -5.500 1.00 0.00 H new ATOM 0 HG LEU A 94 85.489 -3.393 -7.263 1.00 0.00 H new ATOM 0 HD11 LEU A 94 84.053 -2.073 -5.726 1.00 0.00 H new ATOM 0 HD12 LEU A 94 83.274 -3.611 -6.167 1.00 0.00 H new ATOM 0 HD13 LEU A 94 84.044 -3.428 -4.573 1.00 0.00 H new ATOM 0 HD21 LEU A 94 86.535 -1.930 -5.551 1.00 0.00 H new ATOM 0 HD22 LEU A 94 86.534 -3.284 -4.395 1.00 0.00 H new ATOM 0 HD23 LEU A 94 87.536 -3.368 -5.863 1.00 0.00 H new ATOM 1474 N PRO A 95 83.565 -6.449 -8.668 1.00 0.00 N ATOM 1475 CA PRO A 95 82.333 -6.218 -9.464 1.00 0.00 C ATOM 1476 C PRO A 95 81.378 -5.288 -8.711 1.00 0.00 C ATOM 1477 O PRO A 95 80.558 -4.614 -9.300 1.00 0.00 O ATOM 1478 CB PRO A 95 81.722 -7.610 -9.619 1.00 0.00 C ATOM 1479 CG PRO A 95 82.833 -8.571 -9.331 1.00 0.00 C ATOM 1480 CD PRO A 95 83.805 -7.873 -8.418 1.00 0.00 C ATOM 0 HA PRO A 95 82.534 -5.742 -10.424 1.00 0.00 H new ATOM 0 HB2 PRO A 95 80.891 -7.753 -8.928 1.00 0.00 H new ATOM 0 HB3 PRO A 95 81.328 -7.756 -10.625 1.00 0.00 H new ATOM 0 HG2 PRO A 95 82.446 -9.475 -8.861 1.00 0.00 H new ATOM 0 HG3 PRO A 95 83.325 -8.877 -10.254 1.00 0.00 H new ATOM 0 HD2 PRO A 95 83.627 -8.131 -7.374 1.00 0.00 H new ATOM 0 HD3 PRO A 95 84.835 -8.150 -8.644 1.00 0.00 H new ATOM 1488 N GLU A 96 81.481 -5.249 -7.410 1.00 0.00 N ATOM 1489 CA GLU A 96 80.580 -4.363 -6.617 1.00 0.00 C ATOM 1490 C GLU A 96 80.842 -2.896 -6.967 1.00 0.00 C ATOM 1491 O GLU A 96 81.638 -2.588 -7.831 1.00 0.00 O ATOM 1492 CB GLU A 96 80.944 -4.640 -5.157 1.00 0.00 C ATOM 1493 CG GLU A 96 79.678 -4.974 -4.367 1.00 0.00 C ATOM 1494 CD GLU A 96 80.050 -5.799 -3.133 1.00 0.00 C ATOM 1495 OE1 GLU A 96 81.184 -5.696 -2.696 1.00 0.00 O ATOM 1496 OE2 GLU A 96 79.194 -6.520 -2.647 1.00 0.00 O ATOM 0 H GLU A 96 82.149 -5.791 -6.862 1.00 0.00 H new ATOM 0 HA GLU A 96 79.526 -4.554 -6.819 1.00 0.00 H new ATOM 0 HB2 GLU A 96 81.650 -5.468 -5.099 1.00 0.00 H new ATOM 0 HB3 GLU A 96 81.437 -3.770 -4.723 1.00 0.00 H new ATOM 0 HG2 GLU A 96 79.172 -4.057 -4.066 1.00 0.00 H new ATOM 0 HG3 GLU A 96 78.982 -5.531 -4.994 1.00 0.00 H new ATOM 1503 N GLY A 97 80.179 -1.989 -6.303 1.00 0.00 N ATOM 1504 CA GLY A 97 80.395 -0.545 -6.601 1.00 0.00 C ATOM 1505 C GLY A 97 79.189 0.010 -7.359 1.00 0.00 C ATOM 1506 O GLY A 97 79.073 1.200 -7.572 1.00 0.00 O ATOM 0 H GLY A 97 79.499 -2.185 -5.569 1.00 0.00 H new ATOM 0 HA2 GLY A 97 80.541 0.010 -5.674 1.00 0.00 H new ATOM 0 HA3 GLY A 97 81.300 -0.418 -7.195 1.00 0.00 H new ATOM 1510 N LEU A 98 78.290 -0.842 -7.767 1.00 0.00 N ATOM 1511 CA LEU A 98 77.091 -0.361 -8.511 1.00 0.00 C ATOM 1512 C LEU A 98 77.517 0.347 -9.801 1.00 0.00 C ATOM 1513 O LEU A 98 77.062 1.436 -10.091 1.00 0.00 O ATOM 1514 CB LEU A 98 76.408 0.621 -7.560 1.00 0.00 C ATOM 1515 CG LEU A 98 74.963 0.179 -7.319 1.00 0.00 C ATOM 1516 CD1 LEU A 98 74.522 0.614 -5.921 1.00 0.00 C ATOM 1517 CD2 LEU A 98 74.052 0.828 -8.363 1.00 0.00 C ATOM 0 H LEU A 98 78.333 -1.850 -7.618 1.00 0.00 H new ATOM 0 HA LEU A 98 76.429 -1.176 -8.802 1.00 0.00 H new ATOM 0 HB2 LEU A 98 76.949 0.663 -6.615 1.00 0.00 H new ATOM 0 HB3 LEU A 98 76.426 1.625 -7.983 1.00 0.00 H new ATOM 0 HG LEU A 98 74.897 -0.906 -7.400 1.00 0.00 H new ATOM 0 HD11 LEU A 98 73.493 0.299 -5.750 1.00 0.00 H new ATOM 0 HD12 LEU A 98 75.171 0.155 -5.175 1.00 0.00 H new ATOM 0 HD13 LEU A 98 74.588 1.699 -5.840 1.00 0.00 H new ATOM 0 HD21 LEU A 98 73.022 0.514 -8.193 1.00 0.00 H new ATOM 0 HD22 LEU A 98 74.119 1.913 -8.280 1.00 0.00 H new ATOM 0 HD23 LEU A 98 74.365 0.520 -9.361 1.00 0.00 H new ATOM 1529 N PRO A 99 78.385 -0.300 -10.531 1.00 0.00 N ATOM 1530 CA PRO A 99 78.887 0.273 -11.806 1.00 0.00 C ATOM 1531 C PRO A 99 77.750 0.394 -12.824 1.00 0.00 C ATOM 1532 O PRO A 99 76.658 -0.088 -12.598 1.00 0.00 O ATOM 1533 CB PRO A 99 79.935 -0.734 -12.280 1.00 0.00 C ATOM 1534 CG PRO A 99 79.651 -1.997 -11.527 1.00 0.00 C ATOM 1535 CD PRO A 99 78.974 -1.609 -10.240 1.00 0.00 C ATOM 0 HA PRO A 99 79.297 1.276 -11.685 1.00 0.00 H new ATOM 0 HB2 PRO A 99 79.865 -0.895 -13.356 1.00 0.00 H new ATOM 0 HB3 PRO A 99 80.944 -0.375 -12.076 1.00 0.00 H new ATOM 0 HG2 PRO A 99 79.012 -2.658 -12.113 1.00 0.00 H new ATOM 0 HG3 PRO A 99 80.574 -2.541 -11.327 1.00 0.00 H new ATOM 0 HD2 PRO A 99 78.213 -2.335 -9.955 1.00 0.00 H new ATOM 0 HD3 PRO A 99 79.685 -1.553 -9.416 1.00 0.00 H new ATOM 1543 N PRO A 100 78.052 1.040 -13.919 1.00 0.00 N ATOM 1544 CA PRO A 100 77.048 1.234 -14.994 1.00 0.00 C ATOM 1545 C PRO A 100 76.641 -0.114 -15.594 1.00 0.00 C ATOM 1546 O PRO A 100 77.168 -0.540 -16.603 1.00 0.00 O ATOM 1547 CB PRO A 100 77.773 2.092 -16.032 1.00 0.00 C ATOM 1548 CG PRO A 100 79.230 1.963 -15.716 1.00 0.00 C ATOM 1549 CD PRO A 100 79.346 1.643 -14.250 1.00 0.00 C ATOM 0 HA PRO A 100 76.131 1.701 -14.635 1.00 0.00 H new ATOM 0 HB2 PRO A 100 77.560 1.747 -17.044 1.00 0.00 H new ATOM 0 HB3 PRO A 100 77.450 3.132 -15.975 1.00 0.00 H new ATOM 0 HG2 PRO A 100 79.685 1.176 -16.318 1.00 0.00 H new ATOM 0 HG3 PRO A 100 79.757 2.888 -15.950 1.00 0.00 H new ATOM 0 HD2 PRO A 100 80.169 0.956 -14.055 1.00 0.00 H new ATOM 0 HD3 PRO A 100 79.532 2.539 -13.659 1.00 0.00 H new ATOM 1557 N THR A 101 75.709 -0.787 -14.981 1.00 0.00 N ATOM 1558 CA THR A 101 75.267 -2.107 -15.513 1.00 0.00 C ATOM 1559 C THR A 101 74.089 -2.633 -14.692 1.00 0.00 C ATOM 1560 O THR A 101 73.941 -3.822 -14.486 1.00 0.00 O ATOM 1561 CB THR A 101 76.481 -3.025 -15.357 1.00 0.00 C ATOM 1562 OG1 THR A 101 76.107 -4.357 -15.679 1.00 0.00 O ATOM 1563 CG2 THR A 101 76.984 -2.968 -13.914 1.00 0.00 C ATOM 0 H THR A 101 75.233 -0.480 -14.133 1.00 0.00 H new ATOM 0 HA THR A 101 74.934 -2.046 -16.549 1.00 0.00 H new ATOM 0 HB THR A 101 77.275 -2.697 -16.028 1.00 0.00 H new ATOM 0 HG1 THR A 101 75.202 -4.532 -15.346 1.00 0.00 H new ATOM 0 HG21 THR A 101 77.849 -3.622 -13.804 1.00 0.00 H new ATOM 0 HG22 THR A 101 77.269 -1.945 -13.668 1.00 0.00 H new ATOM 0 HG23 THR A 101 76.193 -3.296 -13.240 1.00 0.00 H new ATOM 1571 N LEU A 102 73.250 -1.754 -14.216 1.00 0.00 N ATOM 1572 CA LEU A 102 72.082 -2.198 -13.404 1.00 0.00 C ATOM 1573 C LEU A 102 70.781 -1.701 -14.034 1.00 0.00 C ATOM 1574 O LEU A 102 69.945 -2.477 -14.454 1.00 0.00 O ATOM 1575 CB LEU A 102 72.294 -1.559 -12.032 1.00 0.00 C ATOM 1576 CG LEU A 102 71.943 -2.565 -10.936 1.00 0.00 C ATOM 1577 CD1 LEU A 102 73.216 -2.974 -10.192 1.00 0.00 C ATOM 1578 CD2 LEU A 102 70.964 -1.924 -9.951 1.00 0.00 C ATOM 0 H LEU A 102 73.323 -0.746 -14.355 1.00 0.00 H new ATOM 0 HA LEU A 102 72.008 -3.284 -13.342 1.00 0.00 H new ATOM 0 HB2 LEU A 102 73.330 -1.238 -11.926 1.00 0.00 H new ATOM 0 HB3 LEU A 102 71.673 -0.669 -11.935 1.00 0.00 H new ATOM 0 HG LEU A 102 71.485 -3.446 -11.385 1.00 0.00 H new ATOM 0 HD11 LEU A 102 72.966 -3.691 -9.410 1.00 0.00 H new ATOM 0 HD12 LEU A 102 73.916 -3.430 -10.892 1.00 0.00 H new ATOM 0 HD13 LEU A 102 73.674 -2.093 -9.743 1.00 0.00 H new ATOM 0 HD21 LEU A 102 70.713 -2.641 -9.169 1.00 0.00 H new ATOM 0 HD22 LEU A 102 71.424 -1.043 -9.502 1.00 0.00 H new ATOM 0 HD23 LEU A 102 70.057 -1.630 -10.479 1.00 0.00 H new ATOM 1590 N GLN A 103 70.600 -0.410 -14.105 1.00 0.00 N ATOM 1591 CA GLN A 103 69.350 0.133 -14.706 1.00 0.00 C ATOM 1592 C GLN A 103 69.448 1.655 -14.845 1.00 0.00 C ATOM 1593 O GLN A 103 70.196 2.297 -14.136 1.00 0.00 O ATOM 1594 CB GLN A 103 68.244 -0.252 -13.726 1.00 0.00 C ATOM 1595 CG GLN A 103 68.401 0.554 -12.436 1.00 0.00 C ATOM 1596 CD GLN A 103 68.028 -0.318 -11.237 1.00 0.00 C ATOM 1597 OE1 GLN A 103 67.595 -1.441 -11.400 1.00 0.00 O ATOM 1598 NE2 GLN A 103 68.179 0.155 -10.030 1.00 0.00 N ATOM 0 H GLN A 103 71.263 0.291 -13.773 1.00 0.00 H new ATOM 0 HA GLN A 103 69.163 -0.262 -15.705 1.00 0.00 H new ATOM 0 HB2 GLN A 103 67.267 -0.060 -14.170 1.00 0.00 H new ATOM 0 HB3 GLN A 103 68.292 -1.319 -13.509 1.00 0.00 H new ATOM 0 HG2 GLN A 103 69.428 0.905 -12.337 1.00 0.00 H new ATOM 0 HG3 GLN A 103 67.764 1.438 -12.468 1.00 0.00 H new ATOM 0 HE21 GLN A 103 68.543 1.098 -9.894 1.00 0.00 H new ATOM 0 HE22 GLN A 103 67.933 -0.419 -9.223 1.00 0.00 H new ATOM 1607 N PRO A 104 68.687 2.177 -15.770 1.00 0.00 N ATOM 1608 CA PRO A 104 68.685 3.640 -16.025 1.00 0.00 C ATOM 1609 C PRO A 104 67.977 4.393 -14.894 1.00 0.00 C ATOM 1610 O PRO A 104 66.843 4.806 -15.029 1.00 0.00 O ATOM 1611 CB PRO A 104 67.907 3.775 -17.331 1.00 0.00 C ATOM 1612 CG PRO A 104 67.060 2.544 -17.416 1.00 0.00 C ATOM 1613 CD PRO A 104 67.776 1.455 -16.661 1.00 0.00 C ATOM 0 HA PRO A 104 69.690 4.059 -16.081 1.00 0.00 H new ATOM 0 HB2 PRO A 104 67.293 4.676 -17.332 1.00 0.00 H new ATOM 0 HB3 PRO A 104 68.581 3.848 -18.184 1.00 0.00 H new ATOM 0 HG2 PRO A 104 66.075 2.725 -16.987 1.00 0.00 H new ATOM 0 HG3 PRO A 104 66.907 2.254 -18.455 1.00 0.00 H new ATOM 0 HD2 PRO A 104 67.078 0.834 -16.099 1.00 0.00 H new ATOM 0 HD3 PRO A 104 68.319 0.793 -17.336 1.00 0.00 H new ATOM 1621 N GLU A 105 68.641 4.582 -13.784 1.00 0.00 N ATOM 1622 CA GLU A 105 68.014 5.316 -12.644 1.00 0.00 C ATOM 1623 C GLU A 105 66.537 4.934 -12.500 1.00 0.00 C ATOM 1624 O GLU A 105 65.657 5.764 -12.616 1.00 0.00 O ATOM 1625 CB GLU A 105 68.150 6.796 -13.003 1.00 0.00 C ATOM 1626 CG GLU A 105 68.840 7.535 -11.855 1.00 0.00 C ATOM 1627 CD GLU A 105 67.797 7.965 -10.822 1.00 0.00 C ATOM 1628 OE1 GLU A 105 67.251 9.045 -10.973 1.00 0.00 O ATOM 1629 OE2 GLU A 105 67.562 7.205 -9.897 1.00 0.00 O ATOM 0 H GLU A 105 69.594 4.259 -13.617 1.00 0.00 H new ATOM 0 HA GLU A 105 68.492 5.077 -11.694 1.00 0.00 H new ATOM 0 HB2 GLU A 105 68.727 6.908 -13.921 1.00 0.00 H new ATOM 0 HB3 GLU A 105 67.167 7.228 -13.190 1.00 0.00 H new ATOM 0 HG2 GLU A 105 69.584 6.889 -11.389 1.00 0.00 H new ATOM 0 HG3 GLU A 105 69.370 8.408 -12.237 1.00 0.00 H new ATOM 1636 N PHE A 106 66.264 3.686 -12.238 1.00 0.00 N ATOM 1637 CA PHE A 106 64.849 3.242 -12.078 1.00 0.00 C ATOM 1638 C PHE A 106 63.947 3.926 -13.111 1.00 0.00 C ATOM 1639 O PHE A 106 62.921 4.484 -12.778 1.00 0.00 O ATOM 1640 CB PHE A 106 64.466 3.669 -10.663 1.00 0.00 C ATOM 1641 CG PHE A 106 64.699 2.523 -9.708 1.00 0.00 C ATOM 1642 CD1 PHE A 106 65.961 2.340 -9.130 1.00 0.00 C ATOM 1643 CD2 PHE A 106 63.653 1.645 -9.398 1.00 0.00 C ATOM 1644 CE1 PHE A 106 66.178 1.278 -8.244 1.00 0.00 C ATOM 1645 CE2 PHE A 106 63.870 0.584 -8.512 1.00 0.00 C ATOM 1646 CZ PHE A 106 65.133 0.400 -7.935 1.00 0.00 C ATOM 0 H PHE A 106 66.962 2.951 -12.127 1.00 0.00 H new ATOM 0 HA PHE A 106 64.735 2.169 -12.230 1.00 0.00 H new ATOM 0 HB2 PHE A 106 65.057 4.534 -10.361 1.00 0.00 H new ATOM 0 HB3 PHE A 106 63.419 3.972 -10.634 1.00 0.00 H new ATOM 0 HD1 PHE A 106 66.767 3.018 -9.368 1.00 0.00 H new ATOM 0 HD2 PHE A 106 62.679 1.787 -9.843 1.00 0.00 H new ATOM 0 HE1 PHE A 106 67.152 1.136 -7.799 1.00 0.00 H new ATOM 0 HE2 PHE A 106 63.063 -0.093 -8.273 1.00 0.00 H new ATOM 0 HZ PHE A 106 65.300 -0.419 -7.252 1.00 0.00 H new ATOM 1656 N ILE A 107 64.320 3.886 -14.360 1.00 0.00 N ATOM 1657 CA ILE A 107 63.482 4.533 -15.407 1.00 0.00 C ATOM 1658 C ILE A 107 62.736 3.469 -16.218 1.00 0.00 C ATOM 1659 O ILE A 107 61.583 3.176 -15.966 1.00 0.00 O ATOM 1660 CB ILE A 107 64.468 5.295 -16.294 1.00 0.00 C ATOM 1661 CG1 ILE A 107 64.900 6.581 -15.587 1.00 0.00 C ATOM 1662 CG2 ILE A 107 63.799 5.647 -17.624 1.00 0.00 C ATOM 1663 CD1 ILE A 107 65.805 7.396 -16.512 1.00 0.00 C ATOM 0 H ILE A 107 65.168 3.433 -14.700 1.00 0.00 H new ATOM 0 HA ILE A 107 62.727 5.194 -14.981 1.00 0.00 H new ATOM 0 HB ILE A 107 65.341 4.670 -16.483 1.00 0.00 H new ATOM 0 HG12 ILE A 107 64.024 7.167 -15.310 1.00 0.00 H new ATOM 0 HG13 ILE A 107 65.428 6.341 -14.664 1.00 0.00 H new ATOM 0 HG21 ILE A 107 64.504 6.190 -18.254 1.00 0.00 H new ATOM 0 HG22 ILE A 107 63.491 4.732 -18.130 1.00 0.00 H new ATOM 0 HG23 ILE A 107 62.925 6.270 -17.438 1.00 0.00 H new ATOM 0 HD11 ILE A 107 66.112 8.312 -16.007 1.00 0.00 H new ATOM 0 HD12 ILE A 107 66.687 6.809 -16.767 1.00 0.00 H new ATOM 0 HD13 ILE A 107 65.262 7.649 -17.423 1.00 0.00 H new ATOM 1675 N VAL A 108 63.384 2.890 -17.192 1.00 0.00 N ATOM 1676 CA VAL A 108 62.714 1.850 -18.019 1.00 0.00 C ATOM 1677 C VAL A 108 63.231 0.458 -17.644 1.00 0.00 C ATOM 1678 O VAL A 108 64.328 0.307 -17.143 1.00 0.00 O ATOM 1679 CB VAL A 108 63.085 2.192 -19.461 1.00 0.00 C ATOM 1680 CG1 VAL A 108 62.771 1.001 -20.368 1.00 0.00 C ATOM 1681 CG2 VAL A 108 62.274 3.407 -19.919 1.00 0.00 C ATOM 0 H VAL A 108 64.350 3.094 -17.450 1.00 0.00 H new ATOM 0 HA VAL A 108 61.634 1.835 -17.869 1.00 0.00 H new ATOM 0 HB VAL A 108 64.150 2.419 -19.517 1.00 0.00 H new ATOM 0 HG11 VAL A 108 63.036 1.247 -21.396 1.00 0.00 H new ATOM 0 HG12 VAL A 108 63.346 0.134 -20.042 1.00 0.00 H new ATOM 0 HG13 VAL A 108 61.707 0.772 -20.313 1.00 0.00 H new ATOM 0 HG21 VAL A 108 62.537 3.653 -20.948 1.00 0.00 H new ATOM 0 HG22 VAL A 108 61.210 3.177 -19.861 1.00 0.00 H new ATOM 0 HG23 VAL A 108 62.497 4.257 -19.274 1.00 0.00 H new ATOM 1691 N THR A 109 62.450 -0.560 -17.883 1.00 0.00 N ATOM 1692 CA THR A 109 62.897 -1.941 -17.540 1.00 0.00 C ATOM 1693 C THR A 109 62.370 -2.939 -18.575 1.00 0.00 C ATOM 1694 O THR A 109 61.833 -3.975 -18.236 1.00 0.00 O ATOM 1695 CB THR A 109 62.290 -2.225 -16.166 1.00 0.00 C ATOM 1696 OG1 THR A 109 60.913 -1.876 -16.177 1.00 0.00 O ATOM 1697 CG2 THR A 109 63.019 -1.403 -15.103 1.00 0.00 C ATOM 0 H THR A 109 61.522 -0.496 -18.301 1.00 0.00 H new ATOM 0 HA THR A 109 63.983 -2.033 -17.533 1.00 0.00 H new ATOM 0 HB THR A 109 62.394 -3.285 -15.935 1.00 0.00 H new ATOM 0 HG1 THR A 109 60.522 -2.059 -15.297 1.00 0.00 H new ATOM 0 HG21 THR A 109 62.585 -1.607 -14.124 1.00 0.00 H new ATOM 0 HG22 THR A 109 64.075 -1.673 -15.095 1.00 0.00 H new ATOM 0 HG23 THR A 109 62.918 -0.342 -15.331 1.00 0.00 H new ATOM 1705 N ASP A 110 62.518 -2.636 -19.835 1.00 0.00 N ATOM 1706 CA ASP A 110 62.023 -3.567 -20.888 1.00 0.00 C ATOM 1707 C ASP A 110 62.786 -3.341 -22.197 1.00 0.00 C ATOM 1708 O ASP A 110 63.513 -4.234 -22.597 1.00 0.00 O ATOM 1709 CB ASP A 110 60.546 -3.218 -21.060 1.00 0.00 C ATOM 1710 CG ASP A 110 59.712 -4.021 -20.060 1.00 0.00 C ATOM 1711 OD1 ASP A 110 59.929 -5.217 -19.964 1.00 0.00 O ATOM 1712 OD2 ASP A 110 58.870 -3.426 -19.408 1.00 0.00 O ATOM 1713 OXT ASP A 110 62.627 -2.278 -22.774 1.00 0.00 O ATOM 0 H ASP A 110 62.960 -1.784 -20.181 1.00 0.00 H new ATOM 0 HA ASP A 110 62.166 -4.613 -20.616 1.00 0.00 H new ATOM 0 HB2 ASP A 110 60.393 -2.150 -20.903 1.00 0.00 H new ATOM 0 HB3 ASP A 110 60.225 -3.439 -22.078 1.00 0.00 H new TER 1718 ASP A 110 HETATM 1719 CA CA A 111 73.949 -0.167 9.854 1.00 0.00 CA