USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 764 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 63 THR OG1 : rot -76:sc= 0.0242 USER MOD Set 1.2: A 64 SER OG : rot -158:sc= -0.382 USER MOD Set 2.1: A 18 GLN : amide:sc= -0.0885 X(o=-3,f=-2.9) USER MOD Set 2.2: A 88 MET CE :methyl -121:sc= -2.94! (180deg=-1.95!) USER MOD Single : A 3 MET CE :methyl 156:sc= -0.138 (180deg=-0.702) USER MOD Single : A 4 THR OG1 : rot -170:sc= -1.56! USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -1.07 K(o=-1.1,f=-7.2!) USER MOD Single : A 11 THR OG1 : rot 80:sc= 1.23 USER MOD Single : A 13 GLN : amide:sc= 0.605 K(o=0.61,f=-0.95) USER MOD Single : A 14 THR OG1 : rot 86:sc= 1.3 USER MOD Single : A 20 ASN : amide:sc= -0.485 X(o=-0.48,f=-0.055) USER MOD Single : A 25 LYS NZ :NH3+ 172:sc= 1.28 (180deg=1.16) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 139:sc= 1.98 (180deg=1.1) USER MOD Single : A 29 SER OG : rot 95:sc= 0.143 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ -166:sc= -0.0151 (180deg=-0.193) USER MOD Single : A 43 THR OG1 : rot 107:sc= -0.463 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -167:sc= 2.14 (180deg=1.06) USER MOD Single : A 55 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.07) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 65 SER OG : rot -95:sc= 1.24 USER MOD Single : A 67 ASN : amide:sc=-0.00368 X(o=-0.0037,f=-0.21) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.443 X(o=-0.44,f=0) USER MOD Single : A 80 MET CE :methyl 173:sc= -0.292 (180deg=-0.519) USER MOD Single : A 81 ASN : amide:sc= -0.233 K(o=-0.23,f=-0.75) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0702 USER MOD Single : A 86 CYS SG : rot 106:sc= -1.23 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 178:sc= 1.28 (180deg=1.11) USER MOD Single : A 93 MET CE :methyl -168:sc= -0.0628 (180deg=-0.303) USER MOD Single : A 94 MET CE :methyl -164:sc= -0.0582 (180deg=-0.387) USER MOD Single : A 98 GLN :FLIP amide:sc= -0.0526 F(o=-0.66,f=-0.053) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 3 15.427 5.775 -4.320 1.00 0.00 N ATOM 2 CA MET A 3 14.178 5.209 -4.813 1.00 0.00 C ATOM 3 C MET A 3 14.282 4.987 -6.314 1.00 0.00 C ATOM 4 O MET A 3 14.903 5.790 -7.025 1.00 0.00 O ATOM 5 CB MET A 3 13.004 6.174 -4.563 1.00 0.00 C ATOM 6 CG MET A 3 11.652 5.636 -5.060 1.00 0.00 C ATOM 7 SD MET A 3 10.376 6.908 -5.231 1.00 0.00 S ATOM 8 CE MET A 3 11.074 7.939 -6.525 1.00 0.00 C ATOM 0 HA MET A 3 14.002 4.270 -4.288 1.00 0.00 H new ATOM 0 HB2 MET A 3 12.934 6.379 -3.495 1.00 0.00 H new ATOM 0 HB3 MET A 3 13.212 7.123 -5.057 1.00 0.00 H new ATOM 0 HG2 MET A 3 11.798 5.149 -6.024 1.00 0.00 H new ATOM 0 HG3 MET A 3 11.299 4.872 -4.367 1.00 0.00 H new ATOM 0 HE1 MET A 3 10.274 8.480 -7.030 1.00 0.00 H new ATOM 0 HE2 MET A 3 11.773 8.651 -6.086 1.00 0.00 H new ATOM 0 HE3 MET A 3 11.600 7.312 -7.246 1.00 0.00 H new ATOM 18 N THR A 4 13.711 3.914 -6.789 1.00 0.00 N ATOM 19 CA THR A 4 13.567 3.691 -8.197 1.00 0.00 C ATOM 20 C THR A 4 12.096 3.908 -8.547 1.00 0.00 C ATOM 21 O THR A 4 11.219 3.400 -7.858 1.00 0.00 O ATOM 22 CB THR A 4 14.048 2.291 -8.584 1.00 0.00 C ATOM 23 OG1 THR A 4 13.623 1.348 -7.589 1.00 0.00 O ATOM 24 CG2 THR A 4 15.563 2.257 -8.711 1.00 0.00 C ATOM 0 H THR A 4 13.332 3.168 -6.206 1.00 0.00 H new ATOM 0 HA THR A 4 14.186 4.388 -8.762 1.00 0.00 H new ATOM 0 HB THR A 4 13.616 2.027 -9.549 1.00 0.00 H new ATOM 0 HG1 THR A 4 14.059 0.485 -7.749 1.00 0.00 H new ATOM 0 HG21 THR A 4 15.883 1.252 -8.987 1.00 0.00 H new ATOM 0 HG22 THR A 4 15.880 2.962 -9.480 1.00 0.00 H new ATOM 0 HG23 THR A 4 16.014 2.532 -7.758 1.00 0.00 H new ATOM 32 N SER A 5 11.830 4.665 -9.584 1.00 0.00 N ATOM 33 CA SER A 5 10.467 5.112 -9.857 1.00 0.00 C ATOM 34 C SER A 5 9.494 3.954 -10.273 1.00 0.00 C ATOM 35 O SER A 5 8.437 3.797 -9.642 1.00 0.00 O ATOM 36 CB SER A 5 10.454 6.305 -10.847 1.00 0.00 C ATOM 37 OG SER A 5 9.235 7.032 -10.778 1.00 0.00 O ATOM 0 H SER A 5 12.528 4.988 -10.254 1.00 0.00 H new ATOM 0 HA SER A 5 10.065 5.475 -8.911 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.288 6.971 -10.625 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.601 5.937 -11.862 1.00 0.00 H new ATOM 0 HG SER A 5 9.262 7.777 -11.414 1.00 0.00 H new ATOM 43 N PRO A 6 9.817 3.102 -11.301 1.00 0.00 N ATOM 44 CA PRO A 6 8.923 2.009 -11.690 1.00 0.00 C ATOM 45 C PRO A 6 8.858 0.929 -10.616 1.00 0.00 C ATOM 46 O PRO A 6 7.787 0.399 -10.318 1.00 0.00 O ATOM 47 CB PRO A 6 9.554 1.439 -12.975 1.00 0.00 C ATOM 48 CG PRO A 6 10.539 2.462 -13.414 1.00 0.00 C ATOM 49 CD PRO A 6 11.010 3.142 -12.166 1.00 0.00 C ATOM 0 HA PRO A 6 7.900 2.357 -11.833 1.00 0.00 H new ATOM 0 HB2 PRO A 6 10.039 0.482 -12.784 1.00 0.00 H new ATOM 0 HB3 PRO A 6 8.798 1.266 -13.741 1.00 0.00 H new ATOM 0 HG2 PRO A 6 11.371 2.000 -13.945 1.00 0.00 H new ATOM 0 HG3 PRO A 6 10.081 3.176 -14.099 1.00 0.00 H new ATOM 0 HD2 PRO A 6 11.854 2.620 -11.715 1.00 0.00 H new ATOM 0 HD3 PRO A 6 11.334 4.164 -12.360 1.00 0.00 H new ATOM 57 N GLN A 7 10.002 0.641 -10.009 1.00 0.00 N ATOM 58 CA GLN A 7 10.105 -0.402 -9.007 1.00 0.00 C ATOM 59 C GLN A 7 9.350 -0.054 -7.740 1.00 0.00 C ATOM 60 O GLN A 7 8.836 -0.946 -7.069 1.00 0.00 O ATOM 61 CB GLN A 7 11.556 -0.795 -8.712 1.00 0.00 C ATOM 62 CG GLN A 7 12.258 -1.539 -9.855 1.00 0.00 C ATOM 63 CD GLN A 7 12.486 -0.702 -11.105 1.00 0.00 C ATOM 64 OE1 GLN A 7 12.691 0.512 -11.035 1.00 0.00 O ATOM 65 NE2 GLN A 7 12.399 -1.320 -12.248 1.00 0.00 N ATOM 0 H GLN A 7 10.880 1.124 -10.199 1.00 0.00 H new ATOM 0 HA GLN A 7 9.625 -1.282 -9.436 1.00 0.00 H new ATOM 0 HB2 GLN A 7 12.123 0.106 -8.480 1.00 0.00 H new ATOM 0 HB3 GLN A 7 11.575 -1.422 -7.821 1.00 0.00 H new ATOM 0 HG2 GLN A 7 13.220 -1.904 -9.497 1.00 0.00 H new ATOM 0 HG3 GLN A 7 11.664 -2.413 -10.122 1.00 0.00 H new ATOM 0 HE21 GLN A 7 12.229 -2.325 -12.273 1.00 0.00 H new ATOM 0 HE22 GLN A 7 12.501 -0.799 -13.119 1.00 0.00 H new ATOM 74 N LEU A 8 9.278 1.235 -7.430 1.00 0.00 N ATOM 75 CA LEU A 8 8.471 1.745 -6.320 1.00 0.00 C ATOM 76 C LEU A 8 7.056 1.204 -6.389 1.00 0.00 C ATOM 77 O LEU A 8 6.619 0.416 -5.530 1.00 0.00 O ATOM 78 CB LEU A 8 8.419 3.291 -6.383 1.00 0.00 C ATOM 79 CG LEU A 8 7.187 3.980 -5.747 1.00 0.00 C ATOM 80 CD1 LEU A 8 7.094 3.779 -4.252 1.00 0.00 C ATOM 81 CD2 LEU A 8 7.109 5.434 -6.138 1.00 0.00 C ATOM 0 H LEU A 8 9.779 1.962 -7.942 1.00 0.00 H new ATOM 0 HA LEU A 8 8.930 1.420 -5.386 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.313 3.680 -5.896 1.00 0.00 H new ATOM 0 HB3 LEU A 8 8.471 3.589 -7.430 1.00 0.00 H new ATOM 0 HG LEU A 8 6.308 3.483 -6.158 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.208 4.288 -3.871 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.024 2.714 -4.032 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.983 4.190 -3.774 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.233 5.889 -5.675 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.007 5.950 -5.800 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.030 5.516 -7.222 1.00 0.00 H new ATOM 93 N GLU A 9 6.364 1.584 -7.434 1.00 0.00 N ATOM 94 CA GLU A 9 4.990 1.255 -7.560 1.00 0.00 C ATOM 95 C GLU A 9 4.851 -0.243 -7.847 1.00 0.00 C ATOM 96 O GLU A 9 3.899 -0.877 -7.402 1.00 0.00 O ATOM 97 CB GLU A 9 4.349 2.098 -8.649 1.00 0.00 C ATOM 98 CG GLU A 9 2.832 1.998 -8.705 1.00 0.00 C ATOM 99 CD GLU A 9 2.262 2.544 -9.991 1.00 0.00 C ATOM 100 OE1 GLU A 9 2.749 2.159 -11.075 1.00 0.00 O ATOM 101 OE2 GLU A 9 1.280 3.313 -9.966 1.00 0.00 O ATOM 0 H GLU A 9 6.745 2.126 -8.209 1.00 0.00 H new ATOM 0 HA GLU A 9 4.469 1.474 -6.628 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.628 3.141 -8.497 1.00 0.00 H new ATOM 0 HB3 GLU A 9 4.757 1.797 -9.614 1.00 0.00 H new ATOM 0 HG2 GLU A 9 2.536 0.955 -8.595 1.00 0.00 H new ATOM 0 HG3 GLU A 9 2.404 2.542 -7.863 1.00 0.00 H new ATOM 108 N TRP A 10 5.842 -0.805 -8.559 1.00 0.00 N ATOM 109 CA TRP A 10 5.877 -2.232 -8.849 1.00 0.00 C ATOM 110 C TRP A 10 5.872 -3.050 -7.567 1.00 0.00 C ATOM 111 O TRP A 10 5.093 -3.976 -7.430 1.00 0.00 O ATOM 112 CB TRP A 10 7.106 -2.626 -9.714 1.00 0.00 C ATOM 113 CG TRP A 10 7.306 -4.129 -9.867 1.00 0.00 C ATOM 114 CD1 TRP A 10 6.743 -4.954 -10.795 1.00 0.00 C ATOM 115 CD2 TRP A 10 8.122 -4.975 -9.033 1.00 0.00 C ATOM 116 NE1 TRP A 10 7.158 -6.250 -10.588 1.00 0.00 N ATOM 117 CE2 TRP A 10 8.000 -6.287 -9.510 1.00 0.00 C ATOM 118 CE3 TRP A 10 8.936 -4.740 -7.931 1.00 0.00 C ATOM 119 CZ2 TRP A 10 8.666 -7.362 -8.912 1.00 0.00 C ATOM 120 CZ3 TRP A 10 9.585 -5.794 -7.342 1.00 0.00 C ATOM 121 CH2 TRP A 10 9.454 -7.084 -7.822 1.00 0.00 C ATOM 0 H TRP A 10 6.629 -0.282 -8.942 1.00 0.00 H new ATOM 0 HA TRP A 10 4.976 -2.454 -9.421 1.00 0.00 H new ATOM 0 HB2 TRP A 10 6.997 -2.183 -10.704 1.00 0.00 H new ATOM 0 HB3 TRP A 10 8.003 -2.195 -9.269 1.00 0.00 H new ATOM 0 HD1 TRP A 10 6.070 -4.637 -11.578 1.00 0.00 H new ATOM 0 HE1 TRP A 10 6.882 -7.055 -11.149 1.00 0.00 H new ATOM 0 HE3 TRP A 10 9.056 -3.739 -7.544 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 8.565 -8.368 -9.291 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 10.214 -5.612 -6.483 1.00 0.00 H new ATOM 0 HH2 TRP A 10 9.981 -7.888 -7.331 1.00 0.00 H new ATOM 132 N THR A 11 6.723 -2.710 -6.626 1.00 0.00 N ATOM 133 CA THR A 11 6.817 -3.503 -5.421 1.00 0.00 C ATOM 134 C THR A 11 5.534 -3.404 -4.618 1.00 0.00 C ATOM 135 O THR A 11 5.046 -4.405 -4.083 1.00 0.00 O ATOM 136 CB THR A 11 8.019 -3.114 -4.554 1.00 0.00 C ATOM 137 OG1 THR A 11 9.187 -2.978 -5.380 1.00 0.00 O ATOM 138 CG2 THR A 11 8.280 -4.205 -3.526 1.00 0.00 C ATOM 0 H THR A 11 7.349 -1.906 -6.668 1.00 0.00 H new ATOM 0 HA THR A 11 6.968 -4.537 -5.733 1.00 0.00 H new ATOM 0 HB THR A 11 7.804 -2.170 -4.053 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.171 -2.107 -5.829 1.00 0.00 H new ATOM 0 HG21 THR A 11 9.135 -3.927 -2.910 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.401 -4.326 -2.893 1.00 0.00 H new ATOM 0 HG23 THR A 11 8.491 -5.144 -4.038 1.00 0.00 H new ATOM 146 N LEU A 12 4.965 -2.212 -4.595 1.00 0.00 N ATOM 147 CA LEU A 12 3.717 -1.989 -3.914 1.00 0.00 C ATOM 148 C LEU A 12 2.620 -2.845 -4.552 1.00 0.00 C ATOM 149 O LEU A 12 1.919 -3.597 -3.865 1.00 0.00 O ATOM 150 CB LEU A 12 3.304 -0.531 -4.031 1.00 0.00 C ATOM 151 CG LEU A 12 4.159 0.516 -3.332 1.00 0.00 C ATOM 152 CD1 LEU A 12 3.569 1.896 -3.578 1.00 0.00 C ATOM 153 CD2 LEU A 12 4.247 0.231 -1.840 1.00 0.00 C ATOM 0 H LEU A 12 5.355 -1.384 -5.045 1.00 0.00 H new ATOM 0 HA LEU A 12 3.848 -2.255 -2.865 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.269 -0.279 -5.091 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.288 -0.441 -3.648 1.00 0.00 H new ATOM 0 HG LEU A 12 5.169 0.480 -3.739 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.180 2.647 -3.078 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.550 2.098 -4.649 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.554 1.933 -3.184 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.863 0.992 -1.360 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.247 0.247 -1.407 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.694 -0.750 -1.683 1.00 0.00 H new ATOM 165 N GLN A 13 2.507 -2.743 -5.889 1.00 0.00 N ATOM 166 CA GLN A 13 1.473 -3.439 -6.628 1.00 0.00 C ATOM 167 C GLN A 13 1.614 -4.941 -6.489 1.00 0.00 C ATOM 168 O GLN A 13 0.657 -5.595 -6.239 1.00 0.00 O ATOM 169 CB GLN A 13 1.418 -3.035 -8.130 1.00 0.00 C ATOM 170 CG GLN A 13 2.566 -3.517 -8.975 1.00 0.00 C ATOM 171 CD GLN A 13 2.454 -3.132 -10.420 1.00 0.00 C ATOM 172 OE1 GLN A 13 2.916 -2.069 -10.836 1.00 0.00 O ATOM 173 NE2 GLN A 13 1.854 -3.990 -11.194 1.00 0.00 N ATOM 0 H GLN A 13 3.129 -2.179 -6.469 1.00 0.00 H new ATOM 0 HA GLN A 13 0.527 -3.131 -6.182 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.491 -3.417 -8.557 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.374 -1.948 -8.194 1.00 0.00 H new ATOM 0 HG2 GLN A 13 3.496 -3.115 -8.572 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.629 -4.603 -8.901 1.00 0.00 H new ATOM 0 HE21 GLN A 13 1.487 -4.858 -10.805 1.00 0.00 H new ATOM 0 HE22 GLN A 13 1.751 -3.794 -12.190 1.00 0.00 H new ATOM 182 N THR A 14 2.836 -5.451 -6.582 1.00 0.00 N ATOM 183 CA THR A 14 3.100 -6.882 -6.538 1.00 0.00 C ATOM 184 C THR A 14 2.549 -7.526 -5.256 1.00 0.00 C ATOM 185 O THR A 14 1.983 -8.614 -5.296 1.00 0.00 O ATOM 186 CB THR A 14 4.612 -7.143 -6.708 1.00 0.00 C ATOM 187 OG1 THR A 14 5.032 -6.527 -7.931 1.00 0.00 O ATOM 188 CG2 THR A 14 4.924 -8.622 -6.802 1.00 0.00 C ATOM 0 H THR A 14 3.674 -4.880 -6.690 1.00 0.00 H new ATOM 0 HA THR A 14 2.574 -7.354 -7.368 1.00 0.00 H new ATOM 0 HB THR A 14 5.130 -6.736 -5.839 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.259 -5.589 -7.763 1.00 0.00 H new ATOM 0 HG21 THR A 14 5.999 -8.760 -6.921 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.592 -9.122 -5.892 1.00 0.00 H new ATOM 0 HG23 THR A 14 4.406 -9.049 -7.661 1.00 0.00 H new ATOM 196 N LEU A 15 2.648 -6.817 -4.152 1.00 0.00 N ATOM 197 CA LEU A 15 2.115 -7.290 -2.886 1.00 0.00 C ATOM 198 C LEU A 15 0.586 -7.264 -2.944 1.00 0.00 C ATOM 199 O LEU A 15 -0.089 -8.250 -2.635 1.00 0.00 O ATOM 200 CB LEU A 15 2.594 -6.376 -1.766 1.00 0.00 C ATOM 201 CG LEU A 15 4.106 -6.265 -1.595 1.00 0.00 C ATOM 202 CD1 LEU A 15 4.447 -5.103 -0.694 1.00 0.00 C ATOM 203 CD2 LEU A 15 4.668 -7.548 -1.010 1.00 0.00 C ATOM 0 H LEU A 15 3.096 -5.902 -4.103 1.00 0.00 H new ATOM 0 HA LEU A 15 2.458 -8.307 -2.698 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.194 -5.378 -1.942 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.167 -6.729 -0.827 1.00 0.00 H new ATOM 0 HG LEU A 15 4.551 -6.098 -2.576 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.529 -5.036 -0.581 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.070 -4.179 -1.133 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.989 -5.254 0.283 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.748 -7.453 -0.894 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.214 -7.734 -0.037 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.447 -8.380 -1.678 1.00 0.00 H new ATOM 215 N LEU A 16 0.064 -6.154 -3.416 1.00 0.00 N ATOM 216 CA LEU A 16 -1.369 -5.920 -3.492 1.00 0.00 C ATOM 217 C LEU A 16 -2.033 -6.769 -4.599 1.00 0.00 C ATOM 218 O LEU A 16 -3.234 -6.939 -4.626 1.00 0.00 O ATOM 219 CB LEU A 16 -1.634 -4.426 -3.707 1.00 0.00 C ATOM 220 CG LEU A 16 -1.084 -3.480 -2.622 1.00 0.00 C ATOM 221 CD1 LEU A 16 -1.235 -2.031 -3.040 1.00 0.00 C ATOM 222 CD2 LEU A 16 -1.792 -3.703 -1.300 1.00 0.00 C ATOM 0 H LEU A 16 0.626 -5.376 -3.763 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.818 -6.230 -2.548 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.205 -4.135 -4.666 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.711 -4.275 -3.781 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.024 -3.704 -2.498 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.840 -1.383 -2.257 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.685 -1.860 -3.965 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.290 -1.806 -3.198 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.386 -3.024 -0.551 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.858 -3.513 -1.422 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.641 -4.733 -0.976 1.00 0.00 H new ATOM 234 N GLU A 17 -1.250 -7.267 -5.523 1.00 0.00 N ATOM 235 CA GLU A 17 -1.756 -8.158 -6.552 1.00 0.00 C ATOM 236 C GLU A 17 -1.862 -9.573 -5.997 1.00 0.00 C ATOM 237 O GLU A 17 -2.567 -10.422 -6.543 1.00 0.00 O ATOM 238 CB GLU A 17 -0.885 -8.114 -7.822 1.00 0.00 C ATOM 239 CG GLU A 17 -0.900 -6.756 -8.532 1.00 0.00 C ATOM 240 CD GLU A 17 -0.071 -6.735 -9.800 1.00 0.00 C ATOM 241 OE1 GLU A 17 -0.567 -7.193 -10.849 1.00 0.00 O ATOM 242 OE2 GLU A 17 1.088 -6.276 -9.778 1.00 0.00 O ATOM 0 H GLU A 17 -0.251 -7.072 -5.589 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.750 -7.821 -6.845 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.142 -8.364 -7.556 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.230 -8.881 -8.516 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.929 -6.492 -8.774 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.527 -5.992 -7.849 1.00 0.00 H new ATOM 249 N GLN A 18 -1.178 -9.804 -4.891 1.00 0.00 N ATOM 250 CA GLN A 18 -1.215 -11.074 -4.199 1.00 0.00 C ATOM 251 C GLN A 18 -2.323 -11.067 -3.149 1.00 0.00 C ATOM 252 O GLN A 18 -3.037 -12.054 -2.976 1.00 0.00 O ATOM 253 CB GLN A 18 0.146 -11.374 -3.563 1.00 0.00 C ATOM 254 CG GLN A 18 1.252 -11.609 -4.580 1.00 0.00 C ATOM 255 CD GLN A 18 2.624 -11.745 -3.953 1.00 0.00 C ATOM 256 OE1 GLN A 18 2.773 -12.199 -2.812 1.00 0.00 O ATOM 257 NE2 GLN A 18 3.638 -11.362 -4.684 1.00 0.00 N ATOM 0 H GLN A 18 -0.578 -9.109 -4.447 1.00 0.00 H new ATOM 0 HA GLN A 18 -1.432 -11.864 -4.918 1.00 0.00 H new ATOM 0 HB2 GLN A 18 0.428 -10.542 -2.917 1.00 0.00 H new ATOM 0 HB3 GLN A 18 0.055 -12.255 -2.927 1.00 0.00 H new ATOM 0 HG2 GLN A 18 1.028 -12.512 -5.147 1.00 0.00 H new ATOM 0 HG3 GLN A 18 1.265 -10.782 -5.290 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.480 -10.992 -5.621 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.587 -11.433 -4.317 1.00 0.00 H new ATOM 266 N LEU A 19 -2.479 -9.955 -2.468 1.00 0.00 N ATOM 267 CA LEU A 19 -3.524 -9.809 -1.471 1.00 0.00 C ATOM 268 C LEU A 19 -4.581 -8.847 -2.039 1.00 0.00 C ATOM 269 O LEU A 19 -4.280 -7.714 -2.315 1.00 0.00 O ATOM 270 CB LEU A 19 -2.915 -9.252 -0.147 1.00 0.00 C ATOM 271 CG LEU A 19 -2.595 -7.745 -0.119 1.00 0.00 C ATOM 272 CD1 LEU A 19 -3.674 -6.958 0.605 1.00 0.00 C ATOM 273 CD2 LEU A 19 -1.215 -7.429 0.380 1.00 0.00 C ATOM 0 H LEU A 19 -1.892 -9.129 -2.585 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.985 -10.770 -1.245 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.609 -9.469 0.665 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.996 -9.800 0.063 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.597 -7.417 -1.159 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.414 -5.899 0.605 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.629 -7.098 0.098 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.754 -7.312 1.633 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.063 -6.350 0.371 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.102 -7.803 1.398 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.477 -7.905 -0.266 1.00 0.00 H new ATOM 285 N ASN A 20 -5.786 -9.302 -2.286 1.00 0.00 N ATOM 286 CA ASN A 20 -6.806 -8.393 -2.839 1.00 0.00 C ATOM 287 C ASN A 20 -8.223 -8.913 -2.756 1.00 0.00 C ATOM 288 O ASN A 20 -9.052 -8.247 -2.155 1.00 0.00 O ATOM 289 CB ASN A 20 -6.463 -7.905 -4.268 1.00 0.00 C ATOM 290 CG ASN A 20 -6.224 -9.026 -5.241 1.00 0.00 C ATOM 291 OD1 ASN A 20 -7.106 -9.421 -5.998 1.00 0.00 O ATOM 292 ND2 ASN A 20 -5.058 -9.591 -5.166 1.00 0.00 N ATOM 0 H ASN A 20 -6.095 -10.261 -2.125 1.00 0.00 H new ATOM 0 HA ASN A 20 -6.774 -7.527 -2.178 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -7.278 -7.282 -4.636 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -5.574 -7.275 -4.225 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -4.844 -10.398 -5.751 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -4.356 -9.228 -4.522 1.00 0.00 H new ATOM 299 N GLU A 21 -8.451 -10.137 -3.264 1.00 0.00 N ATOM 300 CA GLU A 21 -9.786 -10.787 -3.409 1.00 0.00 C ATOM 301 C GLU A 21 -10.757 -10.402 -2.283 1.00 0.00 C ATOM 302 O GLU A 21 -11.787 -9.768 -2.519 1.00 0.00 O ATOM 303 CB GLU A 21 -9.588 -12.304 -3.457 1.00 0.00 C ATOM 304 CG GLU A 21 -10.845 -13.116 -3.684 1.00 0.00 C ATOM 305 CD GLU A 21 -10.548 -14.585 -3.712 1.00 0.00 C ATOM 306 OE1 GLU A 21 -10.105 -15.098 -4.767 1.00 0.00 O ATOM 307 OE2 GLU A 21 -10.719 -15.258 -2.687 1.00 0.00 O ATOM 0 H GLU A 21 -7.691 -10.730 -3.599 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.240 -10.434 -4.335 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.878 -12.536 -4.251 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.134 -12.624 -2.519 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.565 -12.904 -2.894 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.307 -12.818 -4.625 1.00 0.00 H new ATOM 314 N ASP A 22 -10.431 -10.795 -1.082 1.00 0.00 N ATOM 315 CA ASP A 22 -11.189 -10.373 0.090 1.00 0.00 C ATOM 316 C ASP A 22 -10.208 -9.778 1.087 1.00 0.00 C ATOM 317 O ASP A 22 -10.548 -9.283 2.150 1.00 0.00 O ATOM 318 CB ASP A 22 -11.975 -11.568 0.661 1.00 0.00 C ATOM 319 CG ASP A 22 -12.704 -11.343 1.969 1.00 0.00 C ATOM 320 OD1 ASP A 22 -13.892 -10.964 1.938 1.00 0.00 O ATOM 321 OD2 ASP A 22 -12.137 -11.627 3.039 1.00 0.00 O ATOM 0 H ASP A 22 -9.643 -11.410 -0.877 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.928 -9.612 -0.162 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -12.705 -11.882 -0.085 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -11.281 -12.397 0.797 1.00 0.00 H new ATOM 326 N GLU A 23 -8.988 -9.733 0.635 1.00 0.00 N ATOM 327 CA GLU A 23 -7.852 -9.341 1.439 1.00 0.00 C ATOM 328 C GLU A 23 -7.714 -7.827 1.448 1.00 0.00 C ATOM 329 O GLU A 23 -7.362 -7.224 2.460 1.00 0.00 O ATOM 330 CB GLU A 23 -6.588 -9.944 0.837 1.00 0.00 C ATOM 331 CG GLU A 23 -6.755 -11.371 0.323 1.00 0.00 C ATOM 332 CD GLU A 23 -7.157 -12.361 1.394 1.00 0.00 C ATOM 333 OE1 GLU A 23 -8.359 -12.527 1.641 1.00 0.00 O ATOM 334 OE2 GLU A 23 -6.282 -13.006 1.981 1.00 0.00 O ATOM 0 H GLU A 23 -8.743 -9.973 -0.326 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.997 -9.696 2.459 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.254 -9.311 0.015 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.800 -9.932 1.590 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.507 -11.378 -0.466 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.818 -11.697 -0.127 1.00 0.00 H new ATOM 341 N LEU A 24 -8.036 -7.209 0.318 1.00 0.00 N ATOM 342 CA LEU A 24 -7.884 -5.769 0.163 1.00 0.00 C ATOM 343 C LEU A 24 -8.910 -5.069 1.020 1.00 0.00 C ATOM 344 O LEU A 24 -8.694 -3.968 1.476 1.00 0.00 O ATOM 345 CB LEU A 24 -8.089 -5.361 -1.286 1.00 0.00 C ATOM 346 CG LEU A 24 -7.185 -4.258 -1.814 1.00 0.00 C ATOM 347 CD1 LEU A 24 -5.729 -4.707 -1.790 1.00 0.00 C ATOM 348 CD2 LEU A 24 -7.595 -3.879 -3.221 1.00 0.00 C ATOM 0 H LEU A 24 -8.405 -7.685 -0.506 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.876 -5.488 0.469 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.952 -6.243 -1.912 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.124 -5.041 -1.407 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.287 -3.384 -1.171 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.095 -3.906 -2.171 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.438 -4.944 -0.767 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.611 -5.592 -2.415 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.942 -3.088 -3.590 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.513 -4.750 -3.871 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.626 -3.525 -3.217 1.00 0.00 H new ATOM 360 N LYS A 25 -10.009 -5.757 1.247 1.00 0.00 N ATOM 361 CA LYS A 25 -11.111 -5.287 2.063 1.00 0.00 C ATOM 362 C LYS A 25 -10.613 -4.949 3.473 1.00 0.00 C ATOM 363 O LYS A 25 -10.939 -3.896 4.025 1.00 0.00 O ATOM 364 CB LYS A 25 -12.185 -6.377 2.076 1.00 0.00 C ATOM 365 CG LYS A 25 -12.722 -6.667 0.671 1.00 0.00 C ATOM 366 CD LYS A 25 -13.540 -7.948 0.580 1.00 0.00 C ATOM 367 CE LYS A 25 -14.777 -7.906 1.424 1.00 0.00 C ATOM 368 NZ LYS A 25 -15.627 -9.086 1.214 1.00 0.00 N ATOM 0 H LYS A 25 -10.166 -6.687 0.858 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.540 -4.373 1.654 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.770 -7.291 2.502 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -13.007 -6.069 2.722 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.339 -5.829 0.347 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.884 -6.732 -0.022 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -13.820 -8.122 -0.459 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.922 -8.791 0.890 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -14.497 -7.844 2.475 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -15.344 -7.005 1.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -16.399 -9.086 1.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -16.026 -9.060 0.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -15.058 -9.949 1.329 1.00 0.00 H new ATOM 382 N SER A 26 -9.778 -5.815 4.012 1.00 0.00 N ATOM 383 CA SER A 26 -9.165 -5.622 5.270 1.00 0.00 C ATOM 384 C SER A 26 -8.186 -4.468 5.221 1.00 0.00 C ATOM 385 O SER A 26 -8.233 -3.567 6.055 1.00 0.00 O ATOM 386 CB SER A 26 -8.443 -6.882 5.585 1.00 0.00 C ATOM 387 OG SER A 26 -9.353 -7.969 5.683 1.00 0.00 O ATOM 0 H SER A 26 -9.513 -6.689 3.559 1.00 0.00 H new ATOM 0 HA SER A 26 -9.911 -5.385 6.029 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.705 -7.088 4.810 1.00 0.00 H new ATOM 0 HB3 SER A 26 -7.899 -6.771 6.523 1.00 0.00 H new ATOM 0 HG SER A 26 -8.860 -8.791 5.889 1.00 0.00 H new ATOM 393 N PHE A 27 -7.318 -4.513 4.227 1.00 0.00 N ATOM 394 CA PHE A 27 -6.301 -3.501 3.992 1.00 0.00 C ATOM 395 C PHE A 27 -6.928 -2.096 3.984 1.00 0.00 C ATOM 396 O PHE A 27 -6.491 -1.223 4.726 1.00 0.00 O ATOM 397 CB PHE A 27 -5.604 -3.805 2.653 1.00 0.00 C ATOM 398 CG PHE A 27 -4.491 -2.846 2.242 1.00 0.00 C ATOM 399 CD1 PHE A 27 -4.770 -1.566 1.769 1.00 0.00 C ATOM 400 CD2 PHE A 27 -3.166 -3.229 2.344 1.00 0.00 C ATOM 401 CE1 PHE A 27 -3.753 -0.702 1.413 1.00 0.00 C ATOM 402 CE2 PHE A 27 -2.144 -2.365 1.989 1.00 0.00 C ATOM 403 CZ PHE A 27 -2.438 -1.103 1.524 1.00 0.00 C ATOM 0 H PHE A 27 -7.299 -5.271 3.544 1.00 0.00 H new ATOM 0 HA PHE A 27 -5.564 -3.523 4.795 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -5.188 -4.811 2.703 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.359 -3.811 1.867 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.797 -1.244 1.679 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -2.925 -4.217 2.706 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.987 0.287 1.048 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.115 -2.681 2.077 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.641 -0.429 1.247 1.00 0.00 H new ATOM 413 N LYS A 28 -7.974 -1.918 3.157 1.00 0.00 N ATOM 414 CA LYS A 28 -8.704 -0.639 3.025 1.00 0.00 C ATOM 415 C LYS A 28 -9.144 -0.133 4.395 1.00 0.00 C ATOM 416 O LYS A 28 -8.921 1.019 4.752 1.00 0.00 O ATOM 417 CB LYS A 28 -9.954 -0.829 2.132 1.00 0.00 C ATOM 418 CG LYS A 28 -9.666 -1.193 0.677 1.00 0.00 C ATOM 419 CD LYS A 28 -10.931 -1.684 -0.035 1.00 0.00 C ATOM 420 CE LYS A 28 -10.639 -2.114 -1.469 1.00 0.00 C ATOM 421 NZ LYS A 28 -11.784 -2.814 -2.102 1.00 0.00 N ATOM 0 H LYS A 28 -8.340 -2.658 2.558 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.035 0.090 2.569 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.577 -1.610 2.568 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.537 0.092 2.151 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.266 -0.324 0.155 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.900 -1.968 0.638 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.357 -2.522 0.517 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.678 -0.891 -0.038 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.382 -1.236 -2.062 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.768 -2.770 -1.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.885 -2.495 -3.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.615 -3.840 -2.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.656 -2.598 -1.577 1.00 0.00 H new ATOM 435 N SER A 29 -9.722 -1.023 5.157 1.00 0.00 N ATOM 436 CA SER A 29 -10.223 -0.751 6.446 1.00 0.00 C ATOM 437 C SER A 29 -9.139 -0.403 7.464 1.00 0.00 C ATOM 438 O SER A 29 -9.257 0.578 8.171 1.00 0.00 O ATOM 439 CB SER A 29 -10.982 -1.952 6.873 1.00 0.00 C ATOM 440 OG SER A 29 -12.207 -2.058 6.183 1.00 0.00 O ATOM 0 H SER A 29 -9.854 -1.993 4.870 1.00 0.00 H new ATOM 0 HA SER A 29 -10.856 0.135 6.400 1.00 0.00 H new ATOM 0 HB2 SER A 29 -10.383 -2.845 6.694 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.170 -1.903 7.946 1.00 0.00 H new ATOM 0 HG SER A 29 -12.093 -2.639 5.402 1.00 0.00 H new ATOM 446 N LEU A 30 -8.128 -1.222 7.552 1.00 0.00 N ATOM 447 CA LEU A 30 -6.994 -1.009 8.472 1.00 0.00 C ATOM 448 C LEU A 30 -6.304 0.318 8.184 1.00 0.00 C ATOM 449 O LEU A 30 -5.902 1.044 9.091 1.00 0.00 O ATOM 450 CB LEU A 30 -6.016 -2.151 8.311 1.00 0.00 C ATOM 451 CG LEU A 30 -6.568 -3.522 8.671 1.00 0.00 C ATOM 452 CD1 LEU A 30 -5.635 -4.589 8.174 1.00 0.00 C ATOM 453 CD2 LEU A 30 -6.763 -3.646 10.179 1.00 0.00 C ATOM 0 H LEU A 30 -8.047 -2.070 6.991 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.364 -0.977 9.497 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.673 -2.174 7.277 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.142 -1.952 8.932 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.540 -3.646 8.193 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.033 -5.570 8.433 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.538 -4.512 7.091 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.656 -4.461 8.636 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.158 -4.634 10.415 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.806 -3.509 10.682 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.464 -2.884 10.519 1.00 0.00 H new ATOM 465 N LEU A 31 -6.200 0.613 6.925 1.00 0.00 N ATOM 466 CA LEU A 31 -5.658 1.858 6.430 1.00 0.00 C ATOM 467 C LEU A 31 -6.538 3.030 6.850 1.00 0.00 C ATOM 468 O LEU A 31 -6.049 4.090 7.187 1.00 0.00 O ATOM 469 CB LEU A 31 -5.543 1.733 4.911 1.00 0.00 C ATOM 470 CG LEU A 31 -5.590 3.005 4.051 1.00 0.00 C ATOM 471 CD1 LEU A 31 -4.281 3.767 4.075 1.00 0.00 C ATOM 472 CD2 LEU A 31 -6.024 2.678 2.635 1.00 0.00 C ATOM 0 H LEU A 31 -6.497 -0.021 6.183 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.672 2.054 6.852 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.604 1.224 4.693 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.346 1.078 4.573 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.336 3.668 4.490 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.367 4.657 3.452 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.050 4.062 5.099 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.483 3.131 3.692 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.051 3.592 2.042 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.317 1.978 2.190 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -7.017 2.228 2.653 1.00 0.00 H new ATOM 484 N TRP A 32 -7.816 2.820 6.859 1.00 0.00 N ATOM 485 CA TRP A 32 -8.720 3.856 7.259 1.00 0.00 C ATOM 486 C TRP A 32 -8.785 3.947 8.782 1.00 0.00 C ATOM 487 O TRP A 32 -9.111 4.986 9.339 1.00 0.00 O ATOM 488 CB TRP A 32 -10.095 3.594 6.674 1.00 0.00 C ATOM 489 CG TRP A 32 -10.626 4.781 5.966 1.00 0.00 C ATOM 490 CD1 TRP A 32 -11.665 5.579 6.325 1.00 0.00 C ATOM 491 CD2 TRP A 32 -10.094 5.318 4.770 1.00 0.00 C ATOM 492 NE1 TRP A 32 -11.823 6.578 5.396 1.00 0.00 N ATOM 493 CE2 TRP A 32 -10.860 6.438 4.427 1.00 0.00 C ATOM 494 CE3 TRP A 32 -9.039 4.938 3.954 1.00 0.00 C ATOM 495 CZ2 TRP A 32 -10.597 7.195 3.288 1.00 0.00 C ATOM 496 CZ3 TRP A 32 -8.770 5.683 2.821 1.00 0.00 C ATOM 497 CH2 TRP A 32 -9.546 6.802 2.497 1.00 0.00 C ATOM 0 H TRP A 32 -8.259 1.940 6.594 1.00 0.00 H new ATOM 0 HA TRP A 32 -8.357 4.811 6.879 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -10.042 2.752 5.983 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -10.781 3.309 7.472 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -12.274 5.448 7.207 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -12.538 7.305 5.422 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -8.438 4.075 4.199 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -11.196 8.058 3.037 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -7.951 5.398 2.178 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -9.313 7.368 1.607 1.00 0.00 H new ATOM 508 N ALA A 33 -8.445 2.854 9.436 1.00 0.00 N ATOM 509 CA ALA A 33 -8.506 2.752 10.880 1.00 0.00 C ATOM 510 C ALA A 33 -7.400 3.538 11.546 1.00 0.00 C ATOM 511 O ALA A 33 -7.566 4.011 12.679 1.00 0.00 O ATOM 512 CB ALA A 33 -8.461 1.299 11.324 1.00 0.00 C ATOM 0 H ALA A 33 -8.116 2.005 8.976 1.00 0.00 H new ATOM 0 HA ALA A 33 -9.457 3.184 11.192 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -8.508 1.249 12.412 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -9.309 0.762 10.899 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.533 0.842 10.980 1.00 0.00 H new ATOM 518 N PHE A 34 -6.268 3.670 10.882 1.00 0.00 N ATOM 519 CA PHE A 34 -5.203 4.438 11.439 1.00 0.00 C ATOM 520 C PHE A 34 -5.464 5.928 11.141 1.00 0.00 C ATOM 521 O PHE A 34 -6.194 6.251 10.186 1.00 0.00 O ATOM 522 CB PHE A 34 -3.797 3.942 10.934 1.00 0.00 C ATOM 523 CG PHE A 34 -3.374 4.326 9.539 1.00 0.00 C ATOM 524 CD1 PHE A 34 -3.024 5.633 9.227 1.00 0.00 C ATOM 525 CD2 PHE A 34 -3.309 3.376 8.546 1.00 0.00 C ATOM 526 CE1 PHE A 34 -2.636 5.973 7.965 1.00 0.00 C ATOM 527 CE2 PHE A 34 -2.918 3.719 7.274 1.00 0.00 C ATOM 528 CZ PHE A 34 -2.586 5.017 6.984 1.00 0.00 C ATOM 0 H PHE A 34 -6.076 3.257 9.970 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.176 4.303 12.520 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.042 4.314 11.627 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.782 2.854 11.001 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.060 6.391 9.995 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.568 2.351 8.768 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.368 6.994 7.738 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -2.872 2.965 6.502 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.285 5.286 5.982 1.00 0.00 H new ATOM 538 N PRO A 35 -4.939 6.850 11.962 1.00 0.00 N ATOM 539 CA PRO A 35 -5.115 8.285 11.734 1.00 0.00 C ATOM 540 C PRO A 35 -4.446 8.750 10.434 1.00 0.00 C ATOM 541 O PRO A 35 -3.209 8.703 10.299 1.00 0.00 O ATOM 542 CB PRO A 35 -4.443 8.943 12.950 1.00 0.00 C ATOM 543 CG PRO A 35 -3.534 7.901 13.505 1.00 0.00 C ATOM 544 CD PRO A 35 -4.168 6.578 13.190 1.00 0.00 C ATOM 0 HA PRO A 35 -6.167 8.549 11.629 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -3.888 9.835 12.659 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -5.182 9.254 13.688 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -2.542 7.973 13.059 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -3.410 8.026 14.581 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -3.419 5.802 13.030 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -4.812 6.238 14.001 1.00 0.00 H new ATOM 552 N LEU A 36 -5.260 9.151 9.472 1.00 0.00 N ATOM 553 CA LEU A 36 -4.754 9.652 8.209 1.00 0.00 C ATOM 554 C LEU A 36 -4.298 11.078 8.411 1.00 0.00 C ATOM 555 O LEU A 36 -5.006 11.879 9.027 1.00 0.00 O ATOM 556 CB LEU A 36 -5.823 9.620 7.122 1.00 0.00 C ATOM 557 CG LEU A 36 -6.533 8.279 6.872 1.00 0.00 C ATOM 558 CD1 LEU A 36 -7.477 8.388 5.702 1.00 0.00 C ATOM 559 CD2 LEU A 36 -5.545 7.171 6.626 1.00 0.00 C ATOM 0 H LEU A 36 -6.277 9.138 9.544 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.930 9.016 7.887 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.581 10.362 7.372 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.363 9.938 6.186 1.00 0.00 H new ATOM 0 HG LEU A 36 -7.102 8.039 7.770 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.970 7.429 5.541 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -8.227 9.151 5.910 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.918 8.663 4.808 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.081 6.238 6.453 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.941 7.410 5.751 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.897 7.062 7.496 1.00 0.00 H new ATOM 571 N GLU A 37 -3.148 11.396 7.906 1.00 0.00 N ATOM 572 CA GLU A 37 -2.559 12.701 8.122 1.00 0.00 C ATOM 573 C GLU A 37 -2.716 13.567 6.871 1.00 0.00 C ATOM 574 O GLU A 37 -3.465 13.192 5.970 1.00 0.00 O ATOM 575 CB GLU A 37 -1.102 12.510 8.503 1.00 0.00 C ATOM 576 CG GLU A 37 -0.944 11.477 9.610 1.00 0.00 C ATOM 577 CD GLU A 37 0.456 11.363 10.129 1.00 0.00 C ATOM 578 OE1 GLU A 37 1.298 10.680 9.504 1.00 0.00 O ATOM 579 OE2 GLU A 37 0.734 11.933 11.196 1.00 0.00 O ATOM 0 H GLU A 37 -2.584 10.768 7.333 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.069 13.223 8.932 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.534 12.196 7.627 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.683 13.462 8.830 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.608 11.736 10.435 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.264 10.504 9.236 1.00 0.00 H new ATOM 586 N ASP A 38 -2.022 14.713 6.820 1.00 0.00 N ATOM 587 CA ASP A 38 -2.119 15.651 5.678 1.00 0.00 C ATOM 588 C ASP A 38 -1.949 14.968 4.335 1.00 0.00 C ATOM 589 O ASP A 38 -1.088 14.087 4.172 1.00 0.00 O ATOM 590 CB ASP A 38 -1.142 16.830 5.796 1.00 0.00 C ATOM 591 CG ASP A 38 -1.653 17.966 6.659 1.00 0.00 C ATOM 592 OD1 ASP A 38 -2.372 18.844 6.136 1.00 0.00 O ATOM 593 OD2 ASP A 38 -1.326 18.034 7.865 1.00 0.00 O ATOM 0 H ASP A 38 -1.384 15.019 7.555 1.00 0.00 H new ATOM 0 HA ASP A 38 -3.134 16.045 5.725 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.200 16.469 6.208 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.927 17.213 4.798 1.00 0.00 H new ATOM 598 N VAL A 39 -2.820 15.353 3.390 1.00 0.00 N ATOM 599 CA VAL A 39 -2.913 14.816 2.033 1.00 0.00 C ATOM 600 C VAL A 39 -3.515 13.389 2.016 1.00 0.00 C ATOM 601 O VAL A 39 -4.350 13.064 1.179 1.00 0.00 O ATOM 602 CB VAL A 39 -1.561 14.885 1.312 1.00 0.00 C ATOM 603 CG1 VAL A 39 -1.602 14.187 -0.037 1.00 0.00 C ATOM 604 CG2 VAL A 39 -1.120 16.331 1.134 1.00 0.00 C ATOM 0 H VAL A 39 -3.510 16.083 3.565 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.605 15.449 1.477 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.837 14.363 1.938 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.625 14.259 -0.514 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.860 13.137 0.104 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.351 14.663 -0.670 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.159 16.358 0.621 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.862 16.868 0.543 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.023 16.805 2.111 1.00 0.00 H new ATOM 614 N LEU A 40 -3.125 12.578 2.967 1.00 0.00 N ATOM 615 CA LEU A 40 -3.627 11.226 3.096 1.00 0.00 C ATOM 616 C LEU A 40 -5.081 11.248 3.597 1.00 0.00 C ATOM 617 O LEU A 40 -5.864 10.356 3.313 1.00 0.00 O ATOM 618 CB LEU A 40 -2.736 10.440 4.048 1.00 0.00 C ATOM 619 CG LEU A 40 -3.100 8.983 4.287 1.00 0.00 C ATOM 620 CD1 LEU A 40 -2.946 8.154 3.015 1.00 0.00 C ATOM 621 CD2 LEU A 40 -2.255 8.425 5.395 1.00 0.00 C ATOM 0 H LEU A 40 -2.444 12.836 3.681 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.612 10.738 2.122 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.716 10.476 3.666 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.734 10.951 5.011 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.149 8.933 4.580 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.214 7.118 3.221 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.602 8.551 2.240 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.912 8.200 2.674 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.519 7.381 5.563 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.203 8.494 5.120 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.429 8.995 6.308 1.00 0.00 H new ATOM 633 N GLN A 41 -5.438 12.306 4.291 1.00 0.00 N ATOM 634 CA GLN A 41 -6.799 12.527 4.796 1.00 0.00 C ATOM 635 C GLN A 41 -7.672 13.140 3.658 1.00 0.00 C ATOM 636 O GLN A 41 -8.584 13.944 3.878 1.00 0.00 O ATOM 637 CB GLN A 41 -6.711 13.460 6.022 1.00 0.00 C ATOM 638 CG GLN A 41 -8.005 13.653 6.801 1.00 0.00 C ATOM 639 CD GLN A 41 -7.807 14.529 8.015 1.00 0.00 C ATOM 640 OE1 GLN A 41 -7.931 15.752 7.945 1.00 0.00 O ATOM 641 NE2 GLN A 41 -7.516 13.923 9.121 1.00 0.00 N ATOM 0 H GLN A 41 -4.790 13.056 4.531 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.267 11.592 5.104 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.955 13.066 6.701 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -6.361 14.437 5.688 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.757 14.099 6.150 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.389 12.682 7.113 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.422 12.907 9.137 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.381 14.461 9.977 1.00 0.00 H new ATOM 650 N LYS A 42 -7.359 12.736 2.459 1.00 0.00 N ATOM 651 CA LYS A 42 -8.042 13.142 1.253 1.00 0.00 C ATOM 652 C LYS A 42 -8.280 11.932 0.355 1.00 0.00 C ATOM 653 O LYS A 42 -9.244 11.920 -0.415 1.00 0.00 O ATOM 654 CB LYS A 42 -7.206 14.194 0.509 1.00 0.00 C ATOM 655 CG LYS A 42 -7.661 14.479 -0.911 1.00 0.00 C ATOM 656 CD LYS A 42 -6.776 15.500 -1.567 1.00 0.00 C ATOM 657 CE LYS A 42 -7.087 15.633 -3.046 1.00 0.00 C ATOM 658 NZ LYS A 42 -6.682 14.444 -3.818 1.00 0.00 N ATOM 0 H LYS A 42 -6.591 12.089 2.283 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.005 13.577 1.519 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.229 15.124 1.077 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.168 13.862 0.484 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.650 13.557 -1.492 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.690 14.838 -0.901 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.907 16.465 -1.078 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.732 15.216 -1.437 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.156 15.799 -3.175 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.578 16.511 -3.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.692 14.669 -4.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.723 14.158 -3.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.345 13.665 -3.629 1.00 0.00 H new ATOM 672 N THR A 43 -7.406 10.908 0.516 1.00 0.00 N ATOM 673 CA THR A 43 -7.378 9.676 -0.269 1.00 0.00 C ATOM 674 C THR A 43 -8.777 9.216 -0.703 1.00 0.00 C ATOM 675 O THR A 43 -9.587 8.813 0.130 1.00 0.00 O ATOM 676 CB THR A 43 -6.698 8.566 0.551 1.00 0.00 C ATOM 677 OG1 THR A 43 -5.464 9.076 1.052 1.00 0.00 O ATOM 678 CG2 THR A 43 -6.405 7.344 -0.305 1.00 0.00 C ATOM 0 H THR A 43 -6.677 10.931 1.229 1.00 0.00 H new ATOM 0 HA THR A 43 -6.814 9.882 -1.179 1.00 0.00 H new ATOM 0 HB THR A 43 -7.366 8.267 1.359 1.00 0.00 H new ATOM 0 HG1 THR A 43 -5.547 9.247 2.013 1.00 0.00 H new ATOM 0 HG21 THR A 43 -5.925 6.579 0.305 1.00 0.00 H new ATOM 0 HG22 THR A 43 -7.338 6.952 -0.711 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.742 7.624 -1.124 1.00 0.00 H new ATOM 686 N PRO A 44 -9.095 9.380 -2.002 1.00 0.00 N ATOM 687 CA PRO A 44 -10.392 9.010 -2.564 1.00 0.00 C ATOM 688 C PRO A 44 -10.758 7.532 -2.344 1.00 0.00 C ATOM 689 O PRO A 44 -10.306 6.657 -3.088 1.00 0.00 O ATOM 690 CB PRO A 44 -10.232 9.317 -4.073 1.00 0.00 C ATOM 691 CG PRO A 44 -8.750 9.399 -4.277 1.00 0.00 C ATOM 692 CD PRO A 44 -8.236 10.010 -3.025 1.00 0.00 C ATOM 0 HA PRO A 44 -11.202 9.558 -2.083 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -10.676 8.534 -4.688 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -10.723 10.252 -4.343 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -8.317 8.413 -4.444 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -8.502 10.008 -5.147 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -7.181 9.787 -2.865 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -8.336 11.095 -3.030 1.00 0.00 H new ATOM 700 N TRP A 45 -11.559 7.261 -1.308 1.00 0.00 N ATOM 701 CA TRP A 45 -12.011 5.902 -0.987 1.00 0.00 C ATOM 702 C TRP A 45 -12.773 5.297 -2.161 1.00 0.00 C ATOM 703 O TRP A 45 -12.646 4.120 -2.430 1.00 0.00 O ATOM 704 CB TRP A 45 -12.882 5.882 0.297 1.00 0.00 C ATOM 705 CG TRP A 45 -13.500 4.525 0.637 1.00 0.00 C ATOM 706 CD1 TRP A 45 -14.624 3.984 0.084 1.00 0.00 C ATOM 707 CD2 TRP A 45 -13.042 3.563 1.602 1.00 0.00 C ATOM 708 NE1 TRP A 45 -14.891 2.762 0.629 1.00 0.00 N ATOM 709 CE2 TRP A 45 -13.942 2.475 1.565 1.00 0.00 C ATOM 710 CE3 TRP A 45 -11.971 3.508 2.485 1.00 0.00 C ATOM 711 CZ2 TRP A 45 -13.797 1.356 2.380 1.00 0.00 C ATOM 712 CZ3 TRP A 45 -11.828 2.396 3.293 1.00 0.00 C ATOM 713 CH2 TRP A 45 -12.735 1.335 3.235 1.00 0.00 C ATOM 0 H TRP A 45 -11.912 7.975 -0.670 1.00 0.00 H new ATOM 0 HA TRP A 45 -11.126 5.295 -0.798 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -12.270 6.207 1.138 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -13.684 6.612 0.186 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -15.221 4.458 -0.681 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -15.675 2.160 0.377 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -11.262 4.321 2.539 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -14.499 0.536 2.337 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -10.999 2.346 3.983 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -12.592 0.481 3.880 1.00 0.00 H new ATOM 724 N SER A 46 -13.529 6.114 -2.871 1.00 0.00 N ATOM 725 CA SER A 46 -14.275 5.653 -4.033 1.00 0.00 C ATOM 726 C SER A 46 -13.310 5.035 -5.066 1.00 0.00 C ATOM 727 O SER A 46 -13.630 4.042 -5.737 1.00 0.00 O ATOM 728 CB SER A 46 -15.074 6.820 -4.638 1.00 0.00 C ATOM 729 OG SER A 46 -15.837 6.414 -5.751 1.00 0.00 O ATOM 0 H SER A 46 -13.644 7.106 -2.664 1.00 0.00 H new ATOM 0 HA SER A 46 -14.983 4.881 -3.730 1.00 0.00 H new ATOM 0 HB2 SER A 46 -15.734 7.240 -3.879 1.00 0.00 H new ATOM 0 HB3 SER A 46 -14.388 7.613 -4.938 1.00 0.00 H new ATOM 0 HG SER A 46 -16.331 7.182 -6.106 1.00 0.00 H new ATOM 735 N GLU A 47 -12.115 5.586 -5.139 1.00 0.00 N ATOM 736 CA GLU A 47 -11.103 5.068 -6.014 1.00 0.00 C ATOM 737 C GLU A 47 -10.464 3.832 -5.405 1.00 0.00 C ATOM 738 O GLU A 47 -10.279 2.841 -6.098 1.00 0.00 O ATOM 739 CB GLU A 47 -10.042 6.127 -6.325 1.00 0.00 C ATOM 740 CG GLU A 47 -10.567 7.305 -7.124 1.00 0.00 C ATOM 741 CD GLU A 47 -11.067 6.896 -8.483 1.00 0.00 C ATOM 742 OE1 GLU A 47 -10.263 6.845 -9.427 1.00 0.00 O ATOM 743 OE2 GLU A 47 -12.268 6.619 -8.627 1.00 0.00 O ATOM 0 H GLU A 47 -11.827 6.399 -4.595 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.578 4.790 -6.955 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.623 6.494 -5.388 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.227 5.660 -6.878 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.375 7.785 -6.571 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.775 8.045 -7.238 1.00 0.00 H new ATOM 750 N VAL A 48 -10.177 3.883 -4.089 1.00 0.00 N ATOM 751 CA VAL A 48 -9.497 2.769 -3.385 1.00 0.00 C ATOM 752 C VAL A 48 -10.382 1.530 -3.363 1.00 0.00 C ATOM 753 O VAL A 48 -9.894 0.406 -3.330 1.00 0.00 O ATOM 754 CB VAL A 48 -9.077 3.124 -1.893 1.00 0.00 C ATOM 755 CG1 VAL A 48 -8.521 4.511 -1.760 1.00 0.00 C ATOM 756 CG2 VAL A 48 -10.165 2.849 -0.848 1.00 0.00 C ATOM 0 H VAL A 48 -10.403 4.678 -3.491 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.583 2.580 -3.948 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.271 2.426 -1.668 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.252 4.697 -0.720 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.635 4.610 -2.387 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -9.272 5.236 -2.076 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -9.796 3.119 0.141 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -11.050 3.442 -1.079 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.424 1.790 -0.862 1.00 0.00 H new ATOM 766 N GLU A 49 -11.683 1.759 -3.378 1.00 0.00 N ATOM 767 CA GLU A 49 -12.640 0.719 -3.294 1.00 0.00 C ATOM 768 C GLU A 49 -12.618 -0.124 -4.523 1.00 0.00 C ATOM 769 O GLU A 49 -12.319 -1.307 -4.471 1.00 0.00 O ATOM 770 CB GLU A 49 -14.016 1.281 -3.139 1.00 0.00 C ATOM 771 CG GLU A 49 -14.854 0.438 -2.221 1.00 0.00 C ATOM 772 CD GLU A 49 -14.881 -1.036 -2.561 1.00 0.00 C ATOM 773 OE1 GLU A 49 -15.544 -1.431 -3.542 1.00 0.00 O ATOM 774 OE2 GLU A 49 -14.216 -1.824 -1.861 1.00 0.00 O ATOM 0 H GLU A 49 -12.089 2.692 -3.450 1.00 0.00 H new ATOM 0 HA GLU A 49 -12.384 0.112 -2.425 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.954 2.296 -2.747 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -14.496 1.345 -4.115 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -14.482 0.555 -1.203 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -15.876 0.818 -2.233 1.00 0.00 H new ATOM 781 N GLU A 50 -12.876 0.495 -5.637 1.00 0.00 N ATOM 782 CA GLU A 50 -13.059 -0.235 -6.858 1.00 0.00 C ATOM 783 C GLU A 50 -11.726 -0.544 -7.568 1.00 0.00 C ATOM 784 O GLU A 50 -11.691 -1.035 -8.702 1.00 0.00 O ATOM 785 CB GLU A 50 -14.070 0.481 -7.744 1.00 0.00 C ATOM 786 CG GLU A 50 -15.428 0.620 -7.049 1.00 0.00 C ATOM 787 CD GLU A 50 -16.520 1.249 -7.882 1.00 0.00 C ATOM 788 OE1 GLU A 50 -17.206 0.519 -8.623 1.00 0.00 O ATOM 789 OE2 GLU A 50 -16.766 2.471 -7.761 1.00 0.00 O ATOM 0 H GLU A 50 -12.965 1.507 -5.726 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.472 -1.215 -6.618 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -13.691 1.469 -8.005 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -14.192 -0.070 -8.677 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -15.759 -0.370 -6.734 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -15.296 1.215 -6.145 1.00 0.00 H new ATOM 796 N ALA A 51 -10.661 -0.282 -6.866 1.00 0.00 N ATOM 797 CA ALA A 51 -9.310 -0.568 -7.299 1.00 0.00 C ATOM 798 C ALA A 51 -8.842 -1.833 -6.655 1.00 0.00 C ATOM 799 O ALA A 51 -9.249 -2.159 -5.536 1.00 0.00 O ATOM 800 CB ALA A 51 -8.388 0.550 -6.883 1.00 0.00 C ATOM 0 H ALA A 51 -10.704 0.152 -5.944 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.300 -0.668 -8.384 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -7.373 0.327 -7.213 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -8.720 1.484 -7.337 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.403 0.649 -5.798 1.00 0.00 H new ATOM 806 N ASP A 52 -8.013 -2.550 -7.352 1.00 0.00 N ATOM 807 CA ASP A 52 -7.420 -3.741 -6.822 1.00 0.00 C ATOM 808 C ASP A 52 -5.959 -3.742 -7.159 1.00 0.00 C ATOM 809 O ASP A 52 -5.559 -3.138 -8.163 1.00 0.00 O ATOM 810 CB ASP A 52 -8.080 -5.020 -7.371 1.00 0.00 C ATOM 811 CG ASP A 52 -7.715 -5.357 -8.814 1.00 0.00 C ATOM 812 OD1 ASP A 52 -8.344 -4.818 -9.734 1.00 0.00 O ATOM 813 OD2 ASP A 52 -6.784 -6.186 -9.040 1.00 0.00 O ATOM 0 H ASP A 52 -7.728 -2.326 -8.305 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.570 -3.742 -5.742 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.800 -5.859 -6.734 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.162 -4.913 -7.300 1.00 0.00 H new ATOM 818 N GLY A 53 -5.170 -4.340 -6.276 1.00 0.00 N ATOM 819 CA GLY A 53 -3.740 -4.542 -6.482 1.00 0.00 C ATOM 820 C GLY A 53 -2.974 -3.316 -6.956 1.00 0.00 C ATOM 821 O GLY A 53 -2.709 -2.387 -6.178 1.00 0.00 O ATOM 0 H GLY A 53 -5.508 -4.703 -5.385 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.300 -4.886 -5.546 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.604 -5.340 -7.211 1.00 0.00 H new ATOM 825 N LYS A 54 -2.676 -3.303 -8.252 1.00 0.00 N ATOM 826 CA LYS A 54 -1.890 -2.255 -8.902 1.00 0.00 C ATOM 827 C LYS A 54 -2.562 -0.940 -8.726 1.00 0.00 C ATOM 828 O LYS A 54 -1.944 0.038 -8.303 1.00 0.00 O ATOM 829 CB LYS A 54 -1.765 -2.586 -10.394 1.00 0.00 C ATOM 830 CG LYS A 54 -0.647 -1.881 -11.189 1.00 0.00 C ATOM 831 CD LYS A 54 -0.954 -0.504 -11.834 1.00 0.00 C ATOM 832 CE LYS A 54 -0.663 0.667 -10.916 1.00 0.00 C ATOM 833 NZ LYS A 54 -0.483 1.955 -11.649 1.00 0.00 N ATOM 0 H LYS A 54 -2.980 -4.035 -8.894 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.898 -2.202 -8.454 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.618 -3.662 -10.489 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.716 -2.351 -10.871 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.204 -1.752 -10.521 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.329 -2.556 -11.984 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.365 -0.398 -12.745 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.003 -0.474 -12.128 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.480 0.773 -10.202 1.00 0.00 H new ATOM 0 HE3 LYS A 54 0.238 0.455 -10.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.075 2.665 -11.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.156 1.809 -12.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.405 2.290 -11.994 1.00 0.00 H new ATOM 847 N LYS A 55 -3.829 -0.923 -9.007 1.00 0.00 N ATOM 848 CA LYS A 55 -4.593 0.280 -8.934 1.00 0.00 C ATOM 849 C LYS A 55 -4.584 0.896 -7.559 1.00 0.00 C ATOM 850 O LYS A 55 -4.516 2.101 -7.434 1.00 0.00 O ATOM 851 CB LYS A 55 -6.003 0.081 -9.407 1.00 0.00 C ATOM 852 CG LYS A 55 -6.153 0.065 -10.901 1.00 0.00 C ATOM 853 CD LYS A 55 -5.823 1.422 -11.541 1.00 0.00 C ATOM 854 CE LYS A 55 -6.740 2.543 -11.044 1.00 0.00 C ATOM 855 NZ LYS A 55 -8.163 2.283 -11.340 1.00 0.00 N ATOM 0 H LYS A 55 -4.361 -1.745 -9.293 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.101 0.980 -9.609 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.380 -0.859 -9.005 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.627 0.876 -8.999 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.499 -0.699 -11.320 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.175 -0.215 -11.157 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.787 1.681 -11.323 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.909 1.340 -12.624 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.612 2.662 -9.968 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.442 3.484 -11.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.730 3.114 -11.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.277 2.095 -12.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.485 1.457 -10.796 1.00 0.00 H new ATOM 869 N LEU A 56 -4.621 0.070 -6.539 1.00 0.00 N ATOM 870 CA LEU A 56 -4.601 0.568 -5.186 1.00 0.00 C ATOM 871 C LEU A 56 -3.261 1.253 -4.895 1.00 0.00 C ATOM 872 O LEU A 56 -3.228 2.344 -4.331 1.00 0.00 O ATOM 873 CB LEU A 56 -4.873 -0.539 -4.178 1.00 0.00 C ATOM 874 CG LEU A 56 -5.007 -0.075 -2.727 1.00 0.00 C ATOM 875 CD1 LEU A 56 -6.199 0.853 -2.553 1.00 0.00 C ATOM 876 CD2 LEU A 56 -5.120 -1.249 -1.803 1.00 0.00 C ATOM 0 H LEU A 56 -4.665 -0.946 -6.621 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.400 1.302 -5.085 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.790 -1.053 -4.465 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.066 -1.269 -4.237 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.105 0.482 -2.473 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.268 1.166 -1.511 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.073 1.730 -3.188 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.112 0.329 -2.835 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.214 -0.896 -0.776 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.999 -1.836 -2.067 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.229 -1.870 -1.893 1.00 0.00 H new ATOM 888 N ALA A 57 -2.167 0.629 -5.343 1.00 0.00 N ATOM 889 CA ALA A 57 -0.811 1.192 -5.195 1.00 0.00 C ATOM 890 C ALA A 57 -0.736 2.556 -5.869 1.00 0.00 C ATOM 891 O ALA A 57 -0.106 3.484 -5.365 1.00 0.00 O ATOM 892 CB ALA A 57 0.214 0.256 -5.821 1.00 0.00 C ATOM 0 H ALA A 57 -2.190 -0.274 -5.816 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.592 1.304 -4.133 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.212 0.680 -5.707 1.00 0.00 H new ATOM 0 HB2 ALA A 57 0.173 -0.713 -5.324 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.008 0.130 -6.881 1.00 0.00 H new ATOM 898 N GLU A 58 -1.448 2.674 -6.977 1.00 0.00 N ATOM 899 CA GLU A 58 -1.505 3.887 -7.774 1.00 0.00 C ATOM 900 C GLU A 58 -2.228 5.011 -7.003 1.00 0.00 C ATOM 901 O GLU A 58 -1.991 6.201 -7.226 1.00 0.00 O ATOM 902 CB GLU A 58 -2.227 3.582 -9.087 1.00 0.00 C ATOM 903 CG GLU A 58 -2.258 4.714 -10.086 1.00 0.00 C ATOM 904 CD GLU A 58 -3.034 4.358 -11.322 1.00 0.00 C ATOM 905 OE1 GLU A 58 -2.482 3.682 -12.212 1.00 0.00 O ATOM 906 OE2 GLU A 58 -4.201 4.758 -11.438 1.00 0.00 O ATOM 0 H GLU A 58 -2.014 1.914 -7.355 1.00 0.00 H new ATOM 0 HA GLU A 58 -0.493 4.231 -7.987 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.749 2.721 -9.554 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.253 3.292 -8.859 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.702 5.594 -9.621 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.238 4.980 -10.363 1.00 0.00 H new ATOM 913 N ILE A 59 -3.095 4.632 -6.108 1.00 0.00 N ATOM 914 CA ILE A 59 -3.821 5.582 -5.304 1.00 0.00 C ATOM 915 C ILE A 59 -3.002 5.947 -4.053 1.00 0.00 C ATOM 916 O ILE A 59 -3.004 7.100 -3.610 1.00 0.00 O ATOM 917 CB ILE A 59 -5.209 5.012 -4.950 1.00 0.00 C ATOM 918 CG1 ILE A 59 -5.932 4.694 -6.258 1.00 0.00 C ATOM 919 CG2 ILE A 59 -6.017 6.025 -4.137 1.00 0.00 C ATOM 920 CD1 ILE A 59 -7.043 3.703 -6.133 1.00 0.00 C ATOM 0 H ILE A 59 -3.321 3.657 -5.913 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.979 6.502 -5.867 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.099 4.112 -4.345 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.334 5.620 -6.669 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -5.205 4.315 -6.976 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.993 5.603 -3.897 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.486 6.258 -3.214 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.149 6.937 -4.719 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.497 3.540 -7.110 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.649 2.760 -5.754 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -7.795 4.085 -5.443 1.00 0.00 H new ATOM 932 N LEU A 60 -2.268 4.976 -3.518 1.00 0.00 N ATOM 933 CA LEU A 60 -1.355 5.242 -2.399 1.00 0.00 C ATOM 934 C LEU A 60 -0.236 6.181 -2.837 1.00 0.00 C ATOM 935 O LEU A 60 0.097 7.138 -2.134 1.00 0.00 O ATOM 936 CB LEU A 60 -0.738 3.946 -1.801 1.00 0.00 C ATOM 937 CG LEU A 60 -1.537 3.180 -0.715 1.00 0.00 C ATOM 938 CD1 LEU A 60 -1.776 4.049 0.512 1.00 0.00 C ATOM 939 CD2 LEU A 60 -2.845 2.633 -1.242 1.00 0.00 C ATOM 0 H LEU A 60 -2.283 4.006 -3.833 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.953 5.711 -1.618 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.553 3.256 -2.625 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.232 4.205 -1.378 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.924 2.328 -0.421 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.338 3.483 1.255 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.818 4.352 0.935 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.343 4.935 0.226 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.367 2.105 -0.444 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.465 3.455 -1.600 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.647 1.944 -2.063 1.00 0.00 H new ATOM 951 N VAL A 61 0.299 5.943 -4.036 1.00 0.00 N ATOM 952 CA VAL A 61 1.421 6.726 -4.569 1.00 0.00 C ATOM 953 C VAL A 61 0.954 8.142 -4.991 1.00 0.00 C ATOM 954 O VAL A 61 1.760 9.015 -5.311 1.00 0.00 O ATOM 955 CB VAL A 61 2.086 5.969 -5.774 1.00 0.00 C ATOM 956 CG1 VAL A 61 1.243 6.023 -7.031 1.00 0.00 C ATOM 957 CG2 VAL A 61 3.506 6.426 -6.048 1.00 0.00 C ATOM 0 H VAL A 61 -0.029 5.208 -4.663 1.00 0.00 H new ATOM 0 HA VAL A 61 2.167 6.844 -3.783 1.00 0.00 H new ATOM 0 HB VAL A 61 2.142 4.926 -5.464 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.749 5.485 -7.832 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.274 5.562 -6.839 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.098 7.062 -7.327 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.912 5.867 -6.891 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.507 7.490 -6.284 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.122 6.250 -5.166 1.00 0.00 H new ATOM 967 N ASN A 62 -0.351 8.348 -4.953 1.00 0.00 N ATOM 968 CA ASN A 62 -0.966 9.618 -5.335 1.00 0.00 C ATOM 969 C ASN A 62 -1.102 10.526 -4.100 1.00 0.00 C ATOM 970 O ASN A 62 -1.223 11.755 -4.203 1.00 0.00 O ATOM 971 CB ASN A 62 -2.363 9.341 -5.933 1.00 0.00 C ATOM 972 CG ASN A 62 -3.041 10.559 -6.535 1.00 0.00 C ATOM 973 OD1 ASN A 62 -2.404 11.453 -7.077 1.00 0.00 O ATOM 974 ND2 ASN A 62 -4.343 10.586 -6.463 1.00 0.00 N ATOM 0 H ASN A 62 -1.021 7.639 -4.656 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.341 10.119 -6.074 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.270 8.575 -6.703 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.004 8.932 -5.152 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.860 11.368 -6.865 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.844 9.825 -6.004 1.00 0.00 H new ATOM 981 N THR A 63 -1.056 9.925 -2.934 1.00 0.00 N ATOM 982 CA THR A 63 -1.247 10.658 -1.714 1.00 0.00 C ATOM 983 C THR A 63 0.044 10.803 -0.912 1.00 0.00 C ATOM 984 O THR A 63 0.559 11.906 -0.729 1.00 0.00 O ATOM 985 CB THR A 63 -2.349 10.002 -0.857 1.00 0.00 C ATOM 986 OG1 THR A 63 -2.129 8.577 -0.796 1.00 0.00 O ATOM 987 CG2 THR A 63 -3.721 10.280 -1.440 1.00 0.00 C ATOM 0 H THR A 63 -0.887 8.927 -2.809 1.00 0.00 H new ATOM 0 HA THR A 63 -1.563 11.664 -1.991 1.00 0.00 H new ATOM 0 HB THR A 63 -2.307 10.425 0.147 1.00 0.00 H new ATOM 0 HG1 THR A 63 -2.399 8.168 -1.644 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.483 9.808 -0.819 1.00 0.00 H new ATOM 0 HG22 THR A 63 -3.893 11.356 -1.469 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.775 9.876 -2.451 1.00 0.00 H new ATOM 995 N SER A 64 0.583 9.707 -0.472 1.00 0.00 N ATOM 996 CA SER A 64 1.741 9.738 0.378 1.00 0.00 C ATOM 997 C SER A 64 3.013 9.541 -0.455 1.00 0.00 C ATOM 998 O SER A 64 2.932 9.251 -1.653 1.00 0.00 O ATOM 999 CB SER A 64 1.583 8.653 1.423 1.00 0.00 C ATOM 1000 OG SER A 64 0.295 8.742 2.025 1.00 0.00 O ATOM 0 H SER A 64 0.238 8.772 -0.688 1.00 0.00 H new ATOM 0 HA SER A 64 1.831 10.704 0.874 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.712 7.673 0.964 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.357 8.754 2.184 1.00 0.00 H new ATOM 0 HG SER A 64 0.310 8.297 2.898 1.00 0.00 H new ATOM 1006 N SER A 65 4.162 9.706 0.156 1.00 0.00 N ATOM 1007 CA SER A 65 5.414 9.538 -0.527 1.00 0.00 C ATOM 1008 C SER A 65 5.965 8.154 -0.228 1.00 0.00 C ATOM 1009 O SER A 65 5.600 7.546 0.789 1.00 0.00 O ATOM 1010 CB SER A 65 6.398 10.645 -0.119 1.00 0.00 C ATOM 1011 OG SER A 65 7.488 10.721 -1.031 1.00 0.00 O ATOM 0 H SER A 65 4.251 9.960 1.140 1.00 0.00 H new ATOM 0 HA SER A 65 5.263 9.622 -1.603 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.879 11.603 -0.086 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.773 10.451 0.886 1.00 0.00 H new ATOM 0 HG SER A 65 8.240 10.196 -0.686 1.00 0.00 H new ATOM 1017 N GLU A 66 6.837 7.666 -1.115 1.00 0.00 N ATOM 1018 CA GLU A 66 7.428 6.315 -1.062 1.00 0.00 C ATOM 1019 C GLU A 66 7.907 5.928 0.338 1.00 0.00 C ATOM 1020 O GLU A 66 7.608 4.833 0.828 1.00 0.00 O ATOM 1021 CB GLU A 66 8.603 6.178 -2.079 1.00 0.00 C ATOM 1022 CG GLU A 66 9.901 6.963 -1.764 1.00 0.00 C ATOM 1023 CD GLU A 66 9.731 8.466 -1.664 1.00 0.00 C ATOM 1024 OE1 GLU A 66 9.384 8.971 -0.573 1.00 0.00 O ATOM 1025 OE2 GLU A 66 9.925 9.173 -2.666 1.00 0.00 O ATOM 0 H GLU A 66 7.164 8.210 -1.913 1.00 0.00 H new ATOM 0 HA GLU A 66 6.629 5.625 -1.335 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.858 5.121 -2.162 1.00 0.00 H new ATOM 0 HB3 GLU A 66 8.243 6.497 -3.057 1.00 0.00 H new ATOM 0 HG2 GLU A 66 10.311 6.595 -0.823 1.00 0.00 H new ATOM 0 HG3 GLU A 66 10.636 6.746 -2.539 1.00 0.00 H new ATOM 1032 N ASN A 67 8.565 6.861 0.988 1.00 0.00 N ATOM 1033 CA ASN A 67 9.199 6.638 2.281 1.00 0.00 C ATOM 1034 C ASN A 67 8.177 6.338 3.367 1.00 0.00 C ATOM 1035 O ASN A 67 8.449 5.578 4.304 1.00 0.00 O ATOM 1036 CB ASN A 67 10.090 7.838 2.655 1.00 0.00 C ATOM 1037 CG ASN A 67 10.803 7.683 3.989 1.00 0.00 C ATOM 1038 OD1 ASN A 67 11.910 7.149 4.049 1.00 0.00 O ATOM 1039 ND2 ASN A 67 10.214 8.187 5.044 1.00 0.00 N ATOM 0 H ASN A 67 8.680 7.811 0.634 1.00 0.00 H new ATOM 0 HA ASN A 67 9.834 5.756 2.198 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.834 7.984 1.871 1.00 0.00 H new ATOM 0 HB3 ASN A 67 9.477 8.738 2.684 1.00 0.00 H new ATOM 0 HD21 ASN A 67 10.673 8.144 5.954 1.00 0.00 H new ATOM 0 HD22 ASN A 67 9.296 8.622 4.956 1.00 0.00 H new ATOM 1046 N TRP A 68 7.002 6.885 3.235 1.00 0.00 N ATOM 1047 CA TRP A 68 5.994 6.621 4.206 1.00 0.00 C ATOM 1048 C TRP A 68 5.099 5.470 3.744 1.00 0.00 C ATOM 1049 O TRP A 68 4.678 4.644 4.555 1.00 0.00 O ATOM 1050 CB TRP A 68 5.180 7.871 4.523 1.00 0.00 C ATOM 1051 CG TRP A 68 4.292 7.685 5.706 1.00 0.00 C ATOM 1052 CD1 TRP A 68 4.616 7.884 7.017 1.00 0.00 C ATOM 1053 CD2 TRP A 68 2.946 7.237 5.691 1.00 0.00 C ATOM 1054 NE1 TRP A 68 3.544 7.585 7.812 1.00 0.00 N ATOM 1055 CE2 TRP A 68 2.508 7.183 7.022 1.00 0.00 C ATOM 1056 CE3 TRP A 68 2.071 6.872 4.673 1.00 0.00 C ATOM 1057 CZ2 TRP A 68 1.231 6.780 7.361 1.00 0.00 C ATOM 1058 CZ3 TRP A 68 0.812 6.473 5.001 1.00 0.00 C ATOM 1059 CH2 TRP A 68 0.401 6.430 6.340 1.00 0.00 C ATOM 0 H TRP A 68 6.727 7.507 2.475 1.00 0.00 H new ATOM 0 HA TRP A 68 6.485 6.320 5.132 1.00 0.00 H new ATOM 0 HB2 TRP A 68 5.857 8.705 4.708 1.00 0.00 H new ATOM 0 HB3 TRP A 68 4.575 8.137 3.656 1.00 0.00 H new ATOM 0 HD1 TRP A 68 5.576 8.227 7.374 1.00 0.00 H new ATOM 0 HE1 TRP A 68 3.523 7.652 8.830 1.00 0.00 H new ATOM 0 HE3 TRP A 68 2.385 6.905 3.640 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 0.905 6.744 8.390 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 0.122 6.186 4.221 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -0.605 6.110 6.569 1.00 0.00 H new ATOM 1070 N ILE A 69 4.838 5.388 2.435 1.00 0.00 N ATOM 1071 CA ILE A 69 3.982 4.316 1.878 1.00 0.00 C ATOM 1072 C ILE A 69 4.586 2.957 2.159 1.00 0.00 C ATOM 1073 O ILE A 69 3.867 1.988 2.434 1.00 0.00 O ATOM 1074 CB ILE A 69 3.772 4.441 0.350 1.00 0.00 C ATOM 1075 CG1 ILE A 69 3.163 5.778 0.012 1.00 0.00 C ATOM 1076 CG2 ILE A 69 2.852 3.320 -0.152 1.00 0.00 C ATOM 1077 CD1 ILE A 69 3.067 6.033 -1.461 1.00 0.00 C ATOM 0 H ILE A 69 5.200 6.041 1.740 1.00 0.00 H new ATOM 0 HA ILE A 69 3.014 4.423 2.368 1.00 0.00 H new ATOM 0 HB ILE A 69 4.743 4.356 -0.138 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.166 5.836 0.449 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.759 6.567 0.472 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.712 3.419 -1.228 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.304 2.353 0.068 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.886 3.391 0.348 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.620 7.012 -1.632 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.064 6.008 -1.900 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.447 5.265 -1.924 1.00 0.00 H new ATOM 1089 N ARG A 70 5.907 2.895 2.107 1.00 0.00 N ATOM 1090 CA ARG A 70 6.625 1.670 2.383 1.00 0.00 C ATOM 1091 C ARG A 70 6.295 1.200 3.809 1.00 0.00 C ATOM 1092 O ARG A 70 6.031 0.035 4.038 1.00 0.00 O ATOM 1093 CB ARG A 70 8.137 1.869 2.184 1.00 0.00 C ATOM 1094 CG ARG A 70 8.804 2.743 3.214 1.00 0.00 C ATOM 1095 CD ARG A 70 10.258 2.951 2.911 1.00 0.00 C ATOM 1096 NE ARG A 70 10.908 3.745 3.954 1.00 0.00 N ATOM 1097 CZ ARG A 70 12.220 3.895 4.062 1.00 0.00 C ATOM 1098 NH1 ARG A 70 13.010 3.514 3.057 1.00 0.00 N ATOM 1099 NH2 ARG A 70 12.738 4.493 5.135 1.00 0.00 N ATOM 0 H ARG A 70 6.504 3.688 1.874 1.00 0.00 H new ATOM 0 HA ARG A 70 6.311 0.896 1.682 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.621 0.892 2.190 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.305 2.302 1.198 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.299 3.708 3.253 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.699 2.288 4.199 1.00 0.00 H new ATOM 0 HD2 ARG A 70 10.755 1.985 2.823 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.363 3.453 1.949 1.00 0.00 H new ATOM 0 HE ARG A 70 10.315 4.212 4.640 1.00 0.00 H new ATOM 0 HH11 ARG A 70 12.603 3.111 2.213 1.00 0.00 H new ATOM 0 HH12 ARG A 70 14.021 3.626 3.132 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.124 4.836 5.874 1.00 0.00 H new ATOM 0 HH22 ARG A 70 13.748 4.608 5.217 1.00 0.00 H new ATOM 1113 N ASN A 71 6.209 2.157 4.728 1.00 0.00 N ATOM 1114 CA ASN A 71 5.856 1.883 6.108 1.00 0.00 C ATOM 1115 C ASN A 71 4.409 1.478 6.183 1.00 0.00 C ATOM 1116 O ASN A 71 4.077 0.497 6.831 1.00 0.00 O ATOM 1117 CB ASN A 71 6.117 3.115 7.001 1.00 0.00 C ATOM 1118 CG ASN A 71 5.566 2.966 8.422 1.00 0.00 C ATOM 1119 OD1 ASN A 71 6.230 2.440 9.310 1.00 0.00 O ATOM 1120 ND2 ASN A 71 4.375 3.473 8.657 1.00 0.00 N ATOM 0 H ASN A 71 6.383 3.143 4.532 1.00 0.00 H new ATOM 0 HA ASN A 71 6.480 1.068 6.475 1.00 0.00 H new ATOM 0 HB2 ASN A 71 7.191 3.295 7.053 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.668 3.993 6.536 1.00 0.00 H new ATOM 0 HD21 ASN A 71 3.981 3.435 9.597 1.00 0.00 H new ATOM 0 HD22 ASN A 71 3.846 3.904 7.899 1.00 0.00 H new ATOM 1127 N ALA A 72 3.564 2.230 5.479 1.00 0.00 N ATOM 1128 CA ALA A 72 2.130 1.995 5.438 1.00 0.00 C ATOM 1129 C ALA A 72 1.811 0.561 5.051 1.00 0.00 C ATOM 1130 O ALA A 72 1.209 -0.164 5.827 1.00 0.00 O ATOM 1131 CB ALA A 72 1.454 2.964 4.479 1.00 0.00 C ATOM 0 H ALA A 72 3.864 3.027 4.917 1.00 0.00 H new ATOM 0 HA ALA A 72 1.741 2.165 6.442 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.381 2.771 4.463 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.634 3.987 4.809 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.862 2.829 3.477 1.00 0.00 H new ATOM 1137 N THR A 73 2.273 0.139 3.885 1.00 0.00 N ATOM 1138 CA THR A 73 1.995 -1.201 3.400 1.00 0.00 C ATOM 1139 C THR A 73 2.632 -2.257 4.300 1.00 0.00 C ATOM 1140 O THR A 73 2.011 -3.252 4.561 1.00 0.00 O ATOM 1141 CB THR A 73 2.389 -1.390 1.889 1.00 0.00 C ATOM 1142 OG1 THR A 73 1.979 -2.677 1.416 1.00 0.00 O ATOM 1143 CG2 THR A 73 3.891 -1.232 1.663 1.00 0.00 C ATOM 0 H THR A 73 2.843 0.706 3.257 1.00 0.00 H new ATOM 0 HA THR A 73 0.915 -1.341 3.447 1.00 0.00 H new ATOM 0 HB THR A 73 1.873 -0.609 1.331 1.00 0.00 H new ATOM 0 HG1 THR A 73 2.231 -2.775 0.474 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.116 -1.371 0.606 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.203 -0.234 1.973 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.428 -1.978 2.249 1.00 0.00 H new ATOM 1151 N VAL A 74 3.834 -2.023 4.809 1.00 0.00 N ATOM 1152 CA VAL A 74 4.434 -2.982 5.721 1.00 0.00 C ATOM 1153 C VAL A 74 3.551 -3.137 6.962 1.00 0.00 C ATOM 1154 O VAL A 74 3.137 -4.241 7.299 1.00 0.00 O ATOM 1155 CB VAL A 74 5.900 -2.600 6.108 1.00 0.00 C ATOM 1156 CG1 VAL A 74 6.401 -3.439 7.271 1.00 0.00 C ATOM 1157 CG2 VAL A 74 6.824 -2.811 4.917 1.00 0.00 C ATOM 0 H VAL A 74 4.400 -1.198 4.611 1.00 0.00 H new ATOM 0 HA VAL A 74 4.496 -3.941 5.207 1.00 0.00 H new ATOM 0 HB VAL A 74 5.901 -1.551 6.404 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.423 -3.149 7.515 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.761 -3.278 8.138 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.379 -4.493 6.995 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.843 -2.543 5.195 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.794 -3.858 4.614 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.497 -2.184 4.087 1.00 0.00 H new ATOM 1167 N ASN A 75 3.187 -2.014 7.539 1.00 0.00 N ATOM 1168 CA ASN A 75 2.371 -1.948 8.748 1.00 0.00 C ATOM 1169 C ASN A 75 0.987 -2.566 8.541 1.00 0.00 C ATOM 1170 O ASN A 75 0.555 -3.353 9.360 1.00 0.00 O ATOM 1171 CB ASN A 75 2.235 -0.490 9.194 1.00 0.00 C ATOM 1172 CG ASN A 75 1.457 -0.290 10.487 1.00 0.00 C ATOM 1173 OD1 ASN A 75 0.772 0.720 10.650 1.00 0.00 O ATOM 1174 ND2 ASN A 75 1.578 -1.200 11.418 1.00 0.00 N ATOM 0 H ASN A 75 3.452 -1.097 7.179 1.00 0.00 H new ATOM 0 HA ASN A 75 2.872 -2.528 9.523 1.00 0.00 H new ATOM 0 HB2 ASN A 75 3.232 -0.067 9.317 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.745 0.074 8.400 1.00 0.00 H new ATOM 0 HD21 ASN A 75 1.097 -1.084 12.310 1.00 0.00 H new ATOM 0 HD22 ASN A 75 2.153 -2.026 11.252 1.00 0.00 H new ATOM 1181 N ILE A 76 0.299 -2.217 7.448 1.00 0.00 N ATOM 1182 CA ILE A 76 -1.048 -2.780 7.173 1.00 0.00 C ATOM 1183 C ILE A 76 -0.955 -4.296 7.068 1.00 0.00 C ATOM 1184 O ILE A 76 -1.739 -5.020 7.657 1.00 0.00 O ATOM 1185 CB ILE A 76 -1.684 -2.258 5.847 1.00 0.00 C ATOM 1186 CG1 ILE A 76 -1.738 -0.728 5.790 1.00 0.00 C ATOM 1187 CG2 ILE A 76 -3.092 -2.827 5.686 1.00 0.00 C ATOM 1188 CD1 ILE A 76 -2.616 -0.078 6.816 1.00 0.00 C ATOM 0 H ILE A 76 0.636 -1.560 6.745 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.681 -2.461 8.001 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.048 -2.595 5.029 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.726 -0.341 5.905 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.083 -0.430 4.800 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.530 -2.458 4.758 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -3.043 -3.916 5.657 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -3.709 -2.514 6.528 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.584 1.004 6.689 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.641 -0.428 6.692 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.263 -0.337 7.814 1.00 0.00 H new ATOM 1200 N LEU A 77 0.023 -4.754 6.329 1.00 0.00 N ATOM 1201 CA LEU A 77 0.270 -6.160 6.136 1.00 0.00 C ATOM 1202 C LEU A 77 0.604 -6.852 7.474 1.00 0.00 C ATOM 1203 O LEU A 77 0.159 -7.972 7.728 1.00 0.00 O ATOM 1204 CB LEU A 77 1.371 -6.337 5.081 1.00 0.00 C ATOM 1205 CG LEU A 77 0.956 -6.174 3.572 1.00 0.00 C ATOM 1206 CD1 LEU A 77 0.036 -4.991 3.291 1.00 0.00 C ATOM 1207 CD2 LEU A 77 2.190 -6.100 2.690 1.00 0.00 C ATOM 0 H LEU A 77 0.681 -4.150 5.836 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.631 -6.648 5.765 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.161 -5.617 5.293 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.803 -7.330 5.207 1.00 0.00 H new ATOM 0 HG LEU A 77 0.373 -7.063 3.333 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.198 -4.957 2.227 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.886 -5.103 3.862 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.533 -4.066 3.583 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.887 -5.987 1.649 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.798 -5.245 2.986 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.772 -7.015 2.801 1.00 0.00 H new ATOM 1219 N GLU A 78 1.338 -6.156 8.336 1.00 0.00 N ATOM 1220 CA GLU A 78 1.627 -6.629 9.695 1.00 0.00 C ATOM 1221 C GLU A 78 0.332 -6.701 10.505 1.00 0.00 C ATOM 1222 O GLU A 78 0.099 -7.647 11.253 1.00 0.00 O ATOM 1223 CB GLU A 78 2.632 -5.705 10.382 1.00 0.00 C ATOM 1224 CG GLU A 78 4.016 -5.738 9.779 1.00 0.00 C ATOM 1225 CD GLU A 78 4.974 -4.851 10.506 1.00 0.00 C ATOM 1226 OE1 GLU A 78 4.625 -3.698 10.812 1.00 0.00 O ATOM 1227 OE2 GLU A 78 6.099 -5.303 10.826 1.00 0.00 O ATOM 0 H GLU A 78 1.751 -5.249 8.118 1.00 0.00 H new ATOM 0 HA GLU A 78 2.064 -7.626 9.635 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.255 -4.683 10.342 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.700 -5.979 11.435 1.00 0.00 H new ATOM 0 HG2 GLU A 78 4.391 -6.761 9.792 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.962 -5.431 8.734 1.00 0.00 H new ATOM 1234 N GLU A 79 -0.522 -5.712 10.309 1.00 0.00 N ATOM 1235 CA GLU A 79 -1.834 -5.660 10.936 1.00 0.00 C ATOM 1236 C GLU A 79 -2.727 -6.791 10.447 1.00 0.00 C ATOM 1237 O GLU A 79 -3.602 -7.249 11.178 1.00 0.00 O ATOM 1238 CB GLU A 79 -2.497 -4.308 10.702 1.00 0.00 C ATOM 1239 CG GLU A 79 -1.822 -3.153 11.422 1.00 0.00 C ATOM 1240 CD GLU A 79 -1.898 -3.286 12.921 1.00 0.00 C ATOM 1241 OE1 GLU A 79 -1.125 -4.069 13.509 1.00 0.00 O ATOM 1242 OE2 GLU A 79 -2.739 -2.607 13.544 1.00 0.00 O ATOM 0 H GLU A 79 -0.324 -4.914 9.705 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.692 -5.788 12.009 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.505 -4.100 9.632 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.537 -4.365 11.024 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -0.777 -3.100 11.117 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.290 -2.216 11.119 1.00 0.00 H new ATOM 1249 N MET A 80 -2.471 -7.263 9.230 1.00 0.00 N ATOM 1250 CA MET A 80 -3.216 -8.376 8.643 1.00 0.00 C ATOM 1251 C MET A 80 -2.594 -9.695 9.071 1.00 0.00 C ATOM 1252 O MET A 80 -3.053 -10.764 8.674 1.00 0.00 O ATOM 1253 CB MET A 80 -3.215 -8.292 7.104 1.00 0.00 C ATOM 1254 CG MET A 80 -3.914 -7.071 6.531 1.00 0.00 C ATOM 1255 SD MET A 80 -3.872 -6.997 4.724 1.00 0.00 S ATOM 1256 CE MET A 80 -4.819 -8.459 4.299 1.00 0.00 C ATOM 0 H MET A 80 -1.743 -6.886 8.623 1.00 0.00 H new ATOM 0 HA MET A 80 -4.246 -8.317 8.996 1.00 0.00 H new ATOM 0 HB2 MET A 80 -2.183 -8.299 6.755 1.00 0.00 H new ATOM 0 HB3 MET A 80 -3.693 -9.187 6.705 1.00 0.00 H new ATOM 0 HG2 MET A 80 -4.952 -7.068 6.863 1.00 0.00 H new ATOM 0 HG3 MET A 80 -3.447 -6.172 6.934 1.00 0.00 H new ATOM 0 HE1 MET A 80 -4.987 -8.483 3.222 1.00 0.00 H new ATOM 0 HE2 MET A 80 -4.268 -9.350 4.600 1.00 0.00 H new ATOM 0 HE3 MET A 80 -5.778 -8.434 4.816 1.00 0.00 H new ATOM 1266 N ASN A 81 -1.506 -9.595 9.854 1.00 0.00 N ATOM 1267 CA ASN A 81 -0.755 -10.744 10.392 1.00 0.00 C ATOM 1268 C ASN A 81 -0.014 -11.475 9.262 1.00 0.00 C ATOM 1269 O ASN A 81 0.501 -12.583 9.424 1.00 0.00 O ATOM 1270 CB ASN A 81 -1.692 -11.682 11.200 1.00 0.00 C ATOM 1271 CG ASN A 81 -0.982 -12.807 11.937 1.00 0.00 C ATOM 1272 OD1 ASN A 81 0.187 -12.694 12.318 1.00 0.00 O ATOM 1273 ND2 ASN A 81 -1.686 -13.881 12.179 1.00 0.00 N ATOM 0 H ASN A 81 -1.116 -8.696 10.137 1.00 0.00 H new ATOM 0 HA ASN A 81 0.002 -10.383 11.088 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -2.246 -11.084 11.924 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -2.424 -12.117 10.519 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.272 -14.656 12.696 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.650 -13.944 11.851 1.00 0.00 H new ATOM 1280 N LEU A 82 0.119 -10.795 8.148 1.00 0.00 N ATOM 1281 CA LEU A 82 0.773 -11.336 6.989 1.00 0.00 C ATOM 1282 C LEU A 82 2.272 -11.331 7.176 1.00 0.00 C ATOM 1283 O LEU A 82 2.835 -10.384 7.724 1.00 0.00 O ATOM 1284 CB LEU A 82 0.382 -10.556 5.725 1.00 0.00 C ATOM 1285 CG LEU A 82 -1.066 -10.709 5.255 1.00 0.00 C ATOM 1286 CD1 LEU A 82 -1.305 -9.900 3.992 1.00 0.00 C ATOM 1287 CD2 LEU A 82 -1.393 -12.170 5.013 1.00 0.00 C ATOM 0 H LEU A 82 -0.228 -9.844 8.023 1.00 0.00 H new ATOM 0 HA LEU A 82 0.445 -12.368 6.864 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.574 -9.498 5.903 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.040 -10.867 4.914 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.723 -10.330 6.038 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.340 -10.021 3.673 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.108 -8.847 4.192 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.639 -10.251 3.204 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.427 -12.261 4.679 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -0.728 -12.570 4.247 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -1.260 -12.731 5.938 1.00 0.00 H new ATOM 1299 N THR A 83 2.902 -12.393 6.772 1.00 0.00 N ATOM 1300 CA THR A 83 4.321 -12.505 6.881 1.00 0.00 C ATOM 1301 C THR A 83 4.974 -12.586 5.523 1.00 0.00 C ATOM 1302 O THR A 83 5.586 -11.639 5.100 1.00 0.00 O ATOM 1303 CB THR A 83 4.730 -13.712 7.738 1.00 0.00 C ATOM 1304 OG1 THR A 83 3.936 -14.860 7.370 1.00 0.00 O ATOM 1305 CG2 THR A 83 4.575 -13.414 9.208 1.00 0.00 C ATOM 0 H THR A 83 2.444 -13.205 6.358 1.00 0.00 H new ATOM 0 HA THR A 83 4.672 -11.600 7.378 1.00 0.00 H new ATOM 0 HB THR A 83 5.782 -13.928 7.553 1.00 0.00 H new ATOM 0 HG1 THR A 83 4.200 -15.629 7.917 1.00 0.00 H new ATOM 0 HG21 THR A 83 4.872 -14.287 9.789 1.00 0.00 H new ATOM 0 HG22 THR A 83 5.207 -12.567 9.476 1.00 0.00 H new ATOM 0 HG23 THR A 83 3.534 -13.172 9.422 1.00 0.00 H new ATOM 1313 N GLU A 84 4.752 -13.702 4.831 1.00 0.00 N ATOM 1314 CA GLU A 84 5.379 -14.046 3.528 1.00 0.00 C ATOM 1315 C GLU A 84 5.645 -12.841 2.594 1.00 0.00 C ATOM 1316 O GLU A 84 6.792 -12.498 2.323 1.00 0.00 O ATOM 1317 CB GLU A 84 4.544 -15.140 2.834 1.00 0.00 C ATOM 1318 CG GLU A 84 3.053 -14.817 2.723 1.00 0.00 C ATOM 1319 CD GLU A 84 2.229 -15.976 2.234 1.00 0.00 C ATOM 1320 OE1 GLU A 84 1.875 -16.854 3.055 1.00 0.00 O ATOM 1321 OE2 GLU A 84 1.894 -16.023 1.040 1.00 0.00 O ATOM 0 H GLU A 84 4.112 -14.424 5.161 1.00 0.00 H new ATOM 0 HA GLU A 84 6.377 -14.424 3.751 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.943 -15.306 1.834 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.662 -16.074 3.383 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.683 -14.503 3.699 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.920 -13.974 2.045 1.00 0.00 H new ATOM 1328 N LEU A 85 4.606 -12.182 2.162 1.00 0.00 N ATOM 1329 CA LEU A 85 4.757 -11.055 1.265 1.00 0.00 C ATOM 1330 C LEU A 85 5.200 -9.781 1.988 1.00 0.00 C ATOM 1331 O LEU A 85 5.867 -8.947 1.418 1.00 0.00 O ATOM 1332 CB LEU A 85 3.498 -10.873 0.390 1.00 0.00 C ATOM 1333 CG LEU A 85 2.159 -10.801 1.123 1.00 0.00 C ATOM 1334 CD1 LEU A 85 1.910 -9.443 1.746 1.00 0.00 C ATOM 1335 CD2 LEU A 85 1.008 -11.234 0.236 1.00 0.00 C ATOM 0 H LEU A 85 3.642 -12.401 2.413 1.00 0.00 H new ATOM 0 HA LEU A 85 5.577 -11.279 0.582 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.617 -9.959 -0.192 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.454 -11.699 -0.319 1.00 0.00 H new ATOM 0 HG LEU A 85 2.219 -11.512 1.947 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.945 -9.447 2.254 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.698 -9.223 2.466 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.907 -8.680 0.967 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.074 -11.169 0.794 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.956 -10.583 -0.636 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.166 -12.263 -0.088 1.00 0.00 H new ATOM 1347 N CYS A 86 4.896 -9.679 3.256 1.00 0.00 N ATOM 1348 CA CYS A 86 5.278 -8.512 4.036 1.00 0.00 C ATOM 1349 C CYS A 86 6.799 -8.521 4.216 1.00 0.00 C ATOM 1350 O CYS A 86 7.452 -7.491 4.146 1.00 0.00 O ATOM 1351 CB CYS A 86 4.584 -8.542 5.388 1.00 0.00 C ATOM 1352 SG CYS A 86 4.905 -7.103 6.440 1.00 0.00 S ATOM 0 H CYS A 86 4.383 -10.389 3.779 1.00 0.00 H new ATOM 0 HA CYS A 86 4.977 -7.601 3.518 1.00 0.00 H new ATOM 0 HB2 CYS A 86 3.509 -8.624 5.227 1.00 0.00 H new ATOM 0 HB3 CYS A 86 4.896 -9.440 5.921 1.00 0.00 H new ATOM 0 HG CYS A 86 3.856 -6.335 6.456 1.00 0.00 H new ATOM 1358 N LYS A 87 7.344 -9.714 4.388 1.00 0.00 N ATOM 1359 CA LYS A 87 8.778 -9.940 4.498 1.00 0.00 C ATOM 1360 C LYS A 87 9.444 -9.603 3.175 1.00 0.00 C ATOM 1361 O LYS A 87 10.600 -9.188 3.130 1.00 0.00 O ATOM 1362 CB LYS A 87 9.030 -11.400 4.843 1.00 0.00 C ATOM 1363 CG LYS A 87 8.481 -11.826 6.202 1.00 0.00 C ATOM 1364 CD LYS A 87 8.380 -13.342 6.302 1.00 0.00 C ATOM 1365 CE LYS A 87 9.720 -14.008 6.151 1.00 0.00 C ATOM 1366 NZ LYS A 87 9.596 -15.463 6.006 1.00 0.00 N ATOM 0 H LYS A 87 6.793 -10.569 4.457 1.00 0.00 H new ATOM 0 HA LYS A 87 9.193 -9.306 5.281 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.583 -12.026 4.071 1.00 0.00 H new ATOM 0 HB3 LYS A 87 10.104 -11.586 4.823 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.128 -11.449 6.994 1.00 0.00 H new ATOM 0 HG3 LYS A 87 7.497 -11.382 6.356 1.00 0.00 H new ATOM 0 HD2 LYS A 87 7.947 -13.614 7.265 1.00 0.00 H new ATOM 0 HD3 LYS A 87 7.703 -13.712 5.532 1.00 0.00 H new ATOM 0 HE2 LYS A 87 10.232 -13.599 5.280 1.00 0.00 H new ATOM 0 HE3 LYS A 87 10.338 -13.781 7.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 10.542 -15.884 5.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 9.130 -15.857 6.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 9.028 -15.681 5.162 1.00 0.00 H new ATOM 1380 N MET A 88 8.697 -9.777 2.098 1.00 0.00 N ATOM 1381 CA MET A 88 9.170 -9.427 0.782 1.00 0.00 C ATOM 1382 C MET A 88 9.225 -7.917 0.661 1.00 0.00 C ATOM 1383 O MET A 88 10.214 -7.359 0.214 1.00 0.00 O ATOM 1384 CB MET A 88 8.302 -10.054 -0.331 1.00 0.00 C ATOM 1385 CG MET A 88 8.399 -11.568 -0.414 1.00 0.00 C ATOM 1386 SD MET A 88 7.771 -12.235 -1.978 1.00 0.00 S ATOM 1387 CE MET A 88 6.125 -11.542 -2.058 1.00 0.00 C ATOM 0 H MET A 88 7.753 -10.163 2.117 1.00 0.00 H new ATOM 0 HA MET A 88 10.172 -9.835 0.650 1.00 0.00 H new ATOM 0 HB2 MET A 88 7.261 -9.776 -0.165 1.00 0.00 H new ATOM 0 HB3 MET A 88 8.597 -9.629 -1.290 1.00 0.00 H new ATOM 0 HG2 MET A 88 9.440 -11.867 -0.290 1.00 0.00 H new ATOM 0 HG3 MET A 88 7.841 -12.008 0.412 1.00 0.00 H new ATOM 0 HE1 MET A 88 5.393 -12.348 -2.110 1.00 0.00 H new ATOM 0 HE2 MET A 88 5.940 -10.940 -1.168 1.00 0.00 H new ATOM 0 HE3 MET A 88 6.037 -10.914 -2.945 1.00 0.00 H new ATOM 1397 N ALA A 89 8.178 -7.261 1.138 1.00 0.00 N ATOM 1398 CA ALA A 89 8.100 -5.801 1.163 1.00 0.00 C ATOM 1399 C ALA A 89 9.238 -5.229 1.998 1.00 0.00 C ATOM 1400 O ALA A 89 9.925 -4.308 1.577 1.00 0.00 O ATOM 1401 CB ALA A 89 6.778 -5.357 1.758 1.00 0.00 C ATOM 0 H ALA A 89 7.354 -7.724 1.521 1.00 0.00 H new ATOM 0 HA ALA A 89 8.179 -5.435 0.139 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.732 -4.268 1.771 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.958 -5.747 1.155 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.692 -5.736 2.776 1.00 0.00 H new ATOM 1407 N LYS A 90 9.449 -5.820 3.168 1.00 0.00 N ATOM 1408 CA LYS A 90 10.515 -5.427 4.104 1.00 0.00 C ATOM 1409 C LYS A 90 11.916 -5.638 3.510 1.00 0.00 C ATOM 1410 O LYS A 90 12.910 -5.154 4.055 1.00 0.00 O ATOM 1411 CB LYS A 90 10.404 -6.230 5.407 1.00 0.00 C ATOM 1412 CG LYS A 90 9.201 -5.919 6.272 1.00 0.00 C ATOM 1413 CD LYS A 90 9.099 -6.934 7.403 1.00 0.00 C ATOM 1414 CE LYS A 90 7.957 -6.629 8.354 1.00 0.00 C ATOM 1415 NZ LYS A 90 8.228 -5.456 9.224 1.00 0.00 N ATOM 0 H LYS A 90 8.881 -6.597 3.505 1.00 0.00 H new ATOM 0 HA LYS A 90 10.383 -4.363 4.303 1.00 0.00 H new ATOM 0 HB2 LYS A 90 10.384 -7.291 5.157 1.00 0.00 H new ATOM 0 HB3 LYS A 90 11.305 -6.058 5.996 1.00 0.00 H new ATOM 0 HG2 LYS A 90 9.287 -4.913 6.682 1.00 0.00 H new ATOM 0 HG3 LYS A 90 8.293 -5.941 5.669 1.00 0.00 H new ATOM 0 HD2 LYS A 90 8.961 -7.930 6.982 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.036 -6.950 7.959 1.00 0.00 H new ATOM 0 HE2 LYS A 90 7.050 -6.446 7.778 1.00 0.00 H new ATOM 0 HE3 LYS A 90 7.767 -7.502 8.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.402 -5.274 9.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 9.057 -5.651 9.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 8.415 -4.621 8.633 1.00 0.00 H new ATOM 1429 N ALA A 91 11.997 -6.376 2.428 1.00 0.00 N ATOM 1430 CA ALA A 91 13.262 -6.641 1.786 1.00 0.00 C ATOM 1431 C ALA A 91 13.368 -5.929 0.447 1.00 0.00 C ATOM 1432 O ALA A 91 14.403 -5.983 -0.223 1.00 0.00 O ATOM 1433 CB ALA A 91 13.457 -8.133 1.624 1.00 0.00 C ATOM 0 H ALA A 91 11.194 -6.807 1.971 1.00 0.00 H new ATOM 0 HA ALA A 91 14.056 -6.250 2.422 1.00 0.00 H new ATOM 0 HB1 ALA A 91 14.414 -8.324 1.139 1.00 0.00 H new ATOM 0 HB2 ALA A 91 13.445 -8.610 2.604 1.00 0.00 H new ATOM 0 HB3 ALA A 91 12.652 -8.541 1.012 1.00 0.00 H new ATOM 1439 N GLU A 92 12.317 -5.259 0.056 1.00 0.00 N ATOM 1440 CA GLU A 92 12.311 -4.572 -1.212 1.00 0.00 C ATOM 1441 C GLU A 92 12.027 -3.094 -1.048 1.00 0.00 C ATOM 1442 O GLU A 92 12.867 -2.266 -1.373 1.00 0.00 O ATOM 1443 CB GLU A 92 11.352 -5.215 -2.205 1.00 0.00 C ATOM 1444 CG GLU A 92 11.758 -6.612 -2.629 1.00 0.00 C ATOM 1445 CD GLU A 92 11.173 -7.036 -3.932 1.00 0.00 C ATOM 1446 OE1 GLU A 92 11.698 -6.605 -4.991 1.00 0.00 O ATOM 1447 OE2 GLU A 92 10.212 -7.839 -3.931 1.00 0.00 O ATOM 0 H GLU A 92 11.455 -5.173 0.594 1.00 0.00 H new ATOM 0 HA GLU A 92 13.315 -4.668 -1.626 1.00 0.00 H new ATOM 0 HB2 GLU A 92 10.357 -5.255 -1.762 1.00 0.00 H new ATOM 0 HB3 GLU A 92 11.282 -4.583 -3.090 1.00 0.00 H new ATOM 0 HG2 GLU A 92 12.845 -6.660 -2.696 1.00 0.00 H new ATOM 0 HG3 GLU A 92 11.454 -7.319 -1.857 1.00 0.00 H new ATOM 1454 N MET A 93 10.892 -2.761 -0.469 1.00 0.00 N ATOM 1455 CA MET A 93 10.501 -1.358 -0.283 1.00 0.00 C ATOM 1456 C MET A 93 11.113 -0.770 0.970 1.00 0.00 C ATOM 1457 O MET A 93 10.483 -0.025 1.684 1.00 0.00 O ATOM 1458 CB MET A 93 8.964 -1.167 -0.278 1.00 0.00 C ATOM 1459 CG MET A 93 8.321 -1.277 -1.633 1.00 0.00 C ATOM 1460 SD MET A 93 9.044 -0.168 -2.871 1.00 0.00 S ATOM 1461 CE MET A 93 8.883 1.436 -2.068 1.00 0.00 C ATOM 0 H MET A 93 10.215 -3.437 -0.115 1.00 0.00 H new ATOM 0 HA MET A 93 10.894 -0.816 -1.143 1.00 0.00 H new ATOM 0 HB2 MET A 93 8.520 -1.911 0.383 1.00 0.00 H new ATOM 0 HB3 MET A 93 8.733 -0.188 0.142 1.00 0.00 H new ATOM 0 HG2 MET A 93 8.407 -2.305 -1.984 1.00 0.00 H new ATOM 0 HG3 MET A 93 7.257 -1.060 -1.540 1.00 0.00 H new ATOM 0 HE1 MET A 93 9.086 2.227 -2.790 1.00 0.00 H new ATOM 0 HE2 MET A 93 7.870 1.549 -1.682 1.00 0.00 H new ATOM 0 HE3 MET A 93 9.595 1.504 -1.245 1.00 0.00 H new ATOM 1471 N MET A 94 12.350 -1.107 1.220 1.00 0.00 N ATOM 1472 CA MET A 94 13.071 -0.568 2.336 1.00 0.00 C ATOM 1473 C MET A 94 14.436 -0.125 1.877 1.00 0.00 C ATOM 1474 O MET A 94 15.436 -0.835 2.035 1.00 0.00 O ATOM 1475 CB MET A 94 13.183 -1.548 3.517 1.00 0.00 C ATOM 1476 CG MET A 94 11.860 -1.899 4.201 1.00 0.00 C ATOM 1477 SD MET A 94 11.019 -0.472 4.935 1.00 0.00 S ATOM 1478 CE MET A 94 12.229 0.072 6.139 1.00 0.00 C ATOM 0 H MET A 94 12.885 -1.765 0.653 1.00 0.00 H new ATOM 0 HA MET A 94 12.506 0.286 2.711 1.00 0.00 H new ATOM 0 HB2 MET A 94 13.645 -2.469 3.161 1.00 0.00 H new ATOM 0 HB3 MET A 94 13.856 -1.120 4.261 1.00 0.00 H new ATOM 0 HG2 MET A 94 11.197 -2.365 3.472 1.00 0.00 H new ATOM 0 HG3 MET A 94 12.048 -2.638 4.979 1.00 0.00 H new ATOM 0 HE1 MET A 94 11.755 0.746 6.852 1.00 0.00 H new ATOM 0 HE2 MET A 94 12.630 -0.793 6.668 1.00 0.00 H new ATOM 0 HE3 MET A 94 13.040 0.594 5.630 1.00 0.00 H new ATOM 1488 N GLU A 95 14.454 0.998 1.243 1.00 0.00 N ATOM 1489 CA GLU A 95 15.658 1.615 0.739 1.00 0.00 C ATOM 1490 C GLU A 95 16.109 2.719 1.701 1.00 0.00 C ATOM 1491 O GLU A 95 15.620 2.793 2.834 1.00 0.00 O ATOM 1492 CB GLU A 95 15.445 2.172 -0.698 1.00 0.00 C ATOM 1493 CG GLU A 95 14.388 3.276 -0.850 1.00 0.00 C ATOM 1494 CD GLU A 95 12.972 2.796 -0.646 1.00 0.00 C ATOM 1495 OE1 GLU A 95 12.537 2.720 0.538 1.00 0.00 O ATOM 1496 OE2 GLU A 95 12.305 2.477 -1.642 1.00 0.00 O ATOM 0 H GLU A 95 13.610 1.538 1.049 1.00 0.00 H new ATOM 0 HA GLU A 95 16.442 0.860 0.677 1.00 0.00 H new ATOM 0 HB2 GLU A 95 16.398 2.558 -1.060 1.00 0.00 H new ATOM 0 HB3 GLU A 95 15.169 1.342 -1.349 1.00 0.00 H new ATOM 0 HG2 GLU A 95 14.599 4.070 -0.133 1.00 0.00 H new ATOM 0 HG3 GLU A 95 14.474 3.714 -1.845 1.00 0.00 H new ATOM 1503 N ASP A 96 17.024 3.549 1.277 1.00 0.00 N ATOM 1504 CA ASP A 96 17.529 4.639 2.104 1.00 0.00 C ATOM 1505 C ASP A 96 17.730 5.846 1.218 1.00 0.00 C ATOM 1506 O ASP A 96 18.314 5.715 0.131 1.00 0.00 O ATOM 1507 CB ASP A 96 18.865 4.229 2.748 1.00 0.00 C ATOM 1508 CG ASP A 96 19.456 5.279 3.677 1.00 0.00 C ATOM 1509 OD1 ASP A 96 19.165 5.258 4.891 1.00 0.00 O ATOM 1510 OD2 ASP A 96 20.263 6.110 3.227 1.00 0.00 O ATOM 0 H ASP A 96 17.447 3.498 0.350 1.00 0.00 H new ATOM 0 HA ASP A 96 16.820 4.871 2.899 1.00 0.00 H new ATOM 0 HB2 ASP A 96 18.718 3.306 3.308 1.00 0.00 H new ATOM 0 HB3 ASP A 96 19.585 4.012 1.959 1.00 0.00 H new ATOM 1515 N GLY A 97 17.229 6.986 1.627 1.00 0.00 N ATOM 1516 CA GLY A 97 17.377 8.179 0.825 1.00 0.00 C ATOM 1517 C GLY A 97 16.796 9.410 1.485 1.00 0.00 C ATOM 1518 O GLY A 97 17.470 10.437 1.609 1.00 0.00 O ATOM 0 H GLY A 97 16.720 7.115 2.501 1.00 0.00 H new ATOM 0 HA2 GLY A 97 18.435 8.346 0.624 1.00 0.00 H new ATOM 0 HA3 GLY A 97 16.890 8.026 -0.138 1.00 0.00 H new ATOM 1522 N GLN A 98 15.555 9.323 1.908 1.00 0.00 N ATOM 1523 CA GLN A 98 14.882 10.454 2.540 1.00 0.00 C ATOM 1524 C GLN A 98 14.352 10.033 3.890 1.00 0.00 C ATOM 1525 O GLN A 98 14.228 8.841 4.150 1.00 0.00 O ATOM 1526 CB GLN A 98 13.730 10.981 1.659 1.00 0.00 C ATOM 1527 CG GLN A 98 14.167 11.457 0.273 1.00 0.00 C ATOM 1528 CD GLN A 98 15.188 12.594 0.307 1.00 0.00 C ATOM 1529 OE1 GLN A 98 15.092 13.464 1.285 1.00 0.00 O flip ATOM 1530 NE2 GLN A 98 16.040 12.700 -0.577 1.00 0.00 N flip ATOM 0 H GLN A 98 14.983 8.482 1.829 1.00 0.00 H new ATOM 0 HA GLN A 98 15.604 11.261 2.665 1.00 0.00 H new ATOM 0 HB2 GLN A 98 12.987 10.192 1.542 1.00 0.00 H new ATOM 0 HB3 GLN A 98 13.240 11.806 2.176 1.00 0.00 H new ATOM 0 HG2 GLN A 98 14.592 10.615 -0.273 1.00 0.00 H new ATOM 0 HG3 GLN A 98 13.289 11.786 -0.282 1.00 0.00 H new ATOM 0 HE21 GLN A 98 16.089 12.007 -1.324 1.00 0.00 H new ATOM 0 HE22 GLN A 98 16.696 13.481 -0.562 1.00 0.00 H new TER 1539 GLN A 98