USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 946 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 32 SER OG : rot 172:sc= -0.0329! USER MOD Set 1.2: A 92 TYR OH : rot -15:sc= 1.59 USER MOD Set 1.3: A 100 LYS NZ :NH3+ 165:sc= 0.711 (180deg=0) USER MOD Set 2.1: A 26 SER OG : rot 54:sc= 0.722 USER MOD Set 2.2: A 73 ASN : amide:sc= -0.293 K(o=0.43,f=-0.4) USER MOD Set 3.1: A 18 SER OG : rot 180:sc= 0.463 USER MOD Set 3.2: A 22 HIS : +bothHN:sc= -3.7! C(o=-3.2!,f=-13!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -57:sc= 0.818 USER MOD Single : A 11 TYR OH : rot -150:sc= -0.378 USER MOD Single : A 12 ASN : amide:sc=-0.00241 X(o=-0.0024,f=0) USER MOD Single : A 13 GLN :FLIP amide:sc= -3.72 F(o=-5.9!,f=-3.7) USER MOD Single : A 14 ASN : amide:sc=-0.00651 X(o=-0.0065,f=-0.25) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -3.75! C(o=-3.8!,f=-5.4!) USER MOD Single : A 20 SER OG : rot -71:sc= 0.118 USER MOD Single : A 21 HIS :FLIP no HE2:sc= -0.112 F(o=-0.76,f=-0.11) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 141:sc= 0.0172 USER MOD Single : A 33 SER OG : rot 69:sc= 0.334 USER MOD Single : A 34 TYR OH : rot 180:sc= 0.275 USER MOD Single : A 36 HIS : no HE2:sc= -6.11! C(o=-6.1!,f=-7.1!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.663 K(o=-0.66,f=-7.8!) USER MOD Single : A 42 TYR OH : rot -118:sc= 0.0863 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot -32:sc= 0.465 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HD1:sc= -2.06 K(o=-2.1,f=-3.6!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HE2:sc= -6.77! C(o=-6.8!,f=-7.1!) USER MOD Single : A 79 TYR OH : rot 130:sc= -0.634 USER MOD Single : A 85 THR OG1 : rot -120:sc= -0.713 USER MOD Single : A 90 HIS : no HD1:sc= -6.27! C(o=-6.3!,f=-9.6!) USER MOD Single : A 93 LYS NZ :NH3+ -132:sc= 0.886 (180deg=-0.0919) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -1.77 X(o=-1.8,f=-1.6) USER MOD Single : A 110 TYR OH : rot -151:sc= -0.262 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 ASN : amide:sc= -0.17 K(o=-0.17,f=-2.3!) USER MOD Single : A 115 LYS NZ :NH3+ -126:sc= -0.74 (180deg=-3.11!) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 SER OG : rot 180:sc= -0.17 USER MOD Single : A 136 HIS :FLIP no HE2:sc= -3.69! C(o=-5.1!,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 13 N VAL A 2 4.118 -0.914 -2.141 1.00 0.00 N ATOM 14 CA VAL A 2 5.365 -1.665 -2.107 1.00 0.00 C ATOM 15 C VAL A 2 6.467 -0.818 -1.474 1.00 0.00 C ATOM 16 O VAL A 2 6.461 0.414 -1.551 1.00 0.00 O ATOM 17 CB VAL A 2 5.699 -2.130 -3.528 1.00 0.00 C ATOM 18 CG1 VAL A 2 5.863 -0.943 -4.482 1.00 0.00 C ATOM 19 CG2 VAL A 2 6.929 -3.027 -3.529 1.00 0.00 C ATOM 0 HA VAL A 2 5.269 -2.555 -1.485 1.00 0.00 H new ATOM 0 HB VAL A 2 4.859 -2.720 -3.894 1.00 0.00 H new ATOM 0 HG11 VAL A 2 6.099 -1.309 -5.481 1.00 0.00 H new ATOM 0 HG12 VAL A 2 4.935 -0.372 -4.515 1.00 0.00 H new ATOM 0 HG13 VAL A 2 6.671 -0.302 -4.130 1.00 0.00 H new ATOM 0 HG21 VAL A 2 7.147 -3.345 -4.549 1.00 0.00 H new ATOM 0 HG22 VAL A 2 7.781 -2.476 -3.131 1.00 0.00 H new ATOM 0 HG23 VAL A 2 6.741 -3.903 -2.908 1.00 0.00 H new ATOM 29 N THR A 3 7.373 -1.477 -0.771 1.00 0.00 N ATOM 30 CA THR A 3 8.479 -0.836 -0.080 1.00 0.00 C ATOM 31 C THR A 3 9.656 -0.706 -1.027 1.00 0.00 C ATOM 32 O THR A 3 10.179 -1.692 -1.522 1.00 0.00 O ATOM 33 CB THR A 3 8.805 -1.629 1.186 1.00 0.00 C ATOM 34 OG1 THR A 3 7.582 -2.001 1.785 1.00 0.00 O ATOM 35 CG2 THR A 3 9.494 -0.770 2.233 1.00 0.00 C ATOM 0 H THR A 3 7.360 -2.491 -0.663 1.00 0.00 H new ATOM 0 HA THR A 3 8.215 0.174 0.234 1.00 0.00 H new ATOM 0 HB THR A 3 9.442 -2.464 0.896 1.00 0.00 H new ATOM 0 HG1 THR A 3 7.760 -2.514 2.601 1.00 0.00 H new ATOM 0 HG21 THR A 3 9.707 -1.373 3.116 1.00 0.00 H new ATOM 0 HG22 THR A 3 10.427 -0.379 1.827 1.00 0.00 H new ATOM 0 HG23 THR A 3 8.843 0.059 2.509 1.00 0.00 H new ATOM 43 N TRP A 4 10.016 0.528 -1.358 1.00 0.00 N ATOM 44 CA TRP A 4 11.131 0.814 -2.235 1.00 0.00 C ATOM 45 C TRP A 4 12.424 0.692 -1.455 1.00 0.00 C ATOM 46 O TRP A 4 12.464 1.008 -0.271 1.00 0.00 O ATOM 47 CB TRP A 4 10.937 2.188 -2.870 1.00 0.00 C ATOM 48 CG TRP A 4 9.765 2.274 -3.787 1.00 0.00 C ATOM 49 CD1 TRP A 4 8.483 1.994 -3.473 1.00 0.00 C ATOM 50 CD2 TRP A 4 9.760 2.657 -5.184 1.00 0.00 C ATOM 51 NE1 TRP A 4 7.702 2.132 -4.596 1.00 0.00 N ATOM 52 CE2 TRP A 4 8.433 2.583 -5.670 1.00 0.00 C ATOM 53 CE3 TRP A 4 10.756 3.056 -6.079 1.00 0.00 C ATOM 54 CZ2 TRP A 4 8.077 2.911 -6.988 1.00 0.00 C ATOM 55 CZ3 TRP A 4 10.431 3.368 -7.407 1.00 0.00 C ATOM 56 CH2 TRP A 4 9.105 3.301 -7.862 1.00 0.00 C ATOM 0 H TRP A 4 9.535 1.361 -1.019 1.00 0.00 H new ATOM 0 HA TRP A 4 11.182 0.093 -3.051 1.00 0.00 H new ATOM 0 HB2 TRP A 4 10.821 2.929 -2.079 1.00 0.00 H new ATOM 0 HB3 TRP A 4 11.838 2.451 -3.424 1.00 0.00 H new ATOM 0 HD1 TRP A 4 8.127 1.707 -2.495 1.00 0.00 H new ATOM 0 HE1 TRP A 4 6.704 1.925 -4.629 1.00 0.00 H new ATOM 0 HE3 TRP A 4 11.781 3.124 -5.746 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 7.050 2.865 -7.318 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 11.213 3.664 -8.090 1.00 0.00 H new ATOM 0 HH2 TRP A 4 8.874 3.550 -8.887 1.00 0.00 H new ATOM 67 N THR A 5 13.468 0.205 -2.105 1.00 0.00 N ATOM 68 CA THR A 5 14.752 0.013 -1.442 1.00 0.00 C ATOM 69 C THR A 5 15.852 0.451 -2.384 1.00 0.00 C ATOM 70 O THR A 5 15.822 0.123 -3.567 1.00 0.00 O ATOM 71 CB THR A 5 14.893 -1.448 -0.966 1.00 0.00 C ATOM 72 OG1 THR A 5 14.471 -1.566 0.372 1.00 0.00 O ATOM 73 CG2 THR A 5 16.336 -1.954 -0.982 1.00 0.00 C ATOM 0 H THR A 5 13.454 -0.065 -3.089 1.00 0.00 H new ATOM 0 HA THR A 5 14.825 0.627 -0.544 1.00 0.00 H new ATOM 0 HB THR A 5 14.287 -2.032 -1.659 1.00 0.00 H new ATOM 0 HG1 THR A 5 14.992 -0.956 0.934 1.00 0.00 H new ATOM 0 HG21 THR A 5 16.363 -2.987 -0.636 1.00 0.00 H new ATOM 0 HG22 THR A 5 16.729 -1.901 -1.997 1.00 0.00 H new ATOM 0 HG23 THR A 5 16.946 -1.335 -0.324 1.00 0.00 H new ATOM 81 N CYS A 6 16.805 1.216 -1.855 1.00 0.00 N ATOM 82 CA CYS A 6 17.955 1.655 -2.623 1.00 0.00 C ATOM 83 C CYS A 6 19.243 1.126 -2.000 1.00 0.00 C ATOM 84 O CYS A 6 19.766 0.091 -2.396 1.00 0.00 O ATOM 85 CB CYS A 6 17.935 3.177 -2.725 1.00 0.00 C ATOM 86 SG CYS A 6 17.631 3.745 -4.409 1.00 0.00 S ATOM 0 H CYS A 6 16.797 1.544 -0.889 1.00 0.00 H new ATOM 0 HA CYS A 6 17.910 1.251 -3.634 1.00 0.00 H new ATOM 0 HB2 CYS A 6 17.163 3.573 -2.065 1.00 0.00 H new ATOM 0 HB3 CYS A 6 18.888 3.575 -2.376 1.00 0.00 H new ATOM 91 N GLY A 7 19.763 1.836 -0.998 1.00 0.00 N ATOM 92 CA GLY A 7 21.015 1.473 -0.353 1.00 0.00 C ATOM 93 C GLY A 7 20.790 0.604 0.857 1.00 0.00 C ATOM 94 O GLY A 7 20.895 1.125 1.952 1.00 0.00 O ATOM 0 H GLY A 7 19.326 2.675 -0.616 1.00 0.00 H new ATOM 0 HA2 GLY A 7 21.651 0.947 -1.065 1.00 0.00 H new ATOM 0 HA3 GLY A 7 21.547 2.377 -0.057 1.00 0.00 H new ATOM 98 N GLY A 8 20.464 -0.680 0.680 1.00 0.00 N ATOM 99 CA GLY A 8 20.140 -1.578 1.802 1.00 0.00 C ATOM 100 C GLY A 8 19.180 -0.970 2.827 1.00 0.00 C ATOM 101 O GLY A 8 19.241 -1.286 4.012 1.00 0.00 O ATOM 0 H GLY A 8 20.416 -1.127 -0.236 1.00 0.00 H new ATOM 0 HA2 GLY A 8 19.701 -2.494 1.406 1.00 0.00 H new ATOM 0 HA3 GLY A 8 21.064 -1.860 2.307 1.00 0.00 H new ATOM 105 N LEU A 9 18.337 -0.042 2.385 1.00 0.00 N ATOM 106 CA LEU A 9 17.435 0.713 3.231 1.00 0.00 C ATOM 107 C LEU A 9 16.055 0.633 2.617 1.00 0.00 C ATOM 108 O LEU A 9 15.934 0.570 1.394 1.00 0.00 O ATOM 109 CB LEU A 9 17.847 2.190 3.316 1.00 0.00 C ATOM 110 CG LEU A 9 19.187 2.434 4.040 1.00 0.00 C ATOM 111 CD1 LEU A 9 20.035 3.467 3.281 1.00 0.00 C ATOM 112 CD2 LEU A 9 18.986 2.888 5.488 1.00 0.00 C ATOM 0 H LEU A 9 18.265 0.209 1.399 1.00 0.00 H new ATOM 0 HA LEU A 9 17.458 0.295 4.238 1.00 0.00 H new ATOM 0 HB2 LEU A 9 17.914 2.595 2.306 1.00 0.00 H new ATOM 0 HB3 LEU A 9 17.063 2.745 3.831 1.00 0.00 H new ATOM 0 HG LEU A 9 19.714 1.480 4.060 1.00 0.00 H new ATOM 0 HD11 LEU A 9 20.976 3.624 3.809 1.00 0.00 H new ATOM 0 HD12 LEU A 9 20.240 3.101 2.275 1.00 0.00 H new ATOM 0 HD13 LEU A 9 19.491 4.410 3.220 1.00 0.00 H new ATOM 0 HD21 LEU A 9 19.957 3.047 5.957 1.00 0.00 H new ATOM 0 HD22 LEU A 9 18.419 3.819 5.502 1.00 0.00 H new ATOM 0 HD23 LEU A 9 18.439 2.122 6.037 1.00 0.00 H new ATOM 124 N LEU A 10 15.043 0.676 3.469 1.00 0.00 N ATOM 125 CA LEU A 10 13.657 0.483 3.081 1.00 0.00 C ATOM 126 C LEU A 10 13.002 1.848 2.977 1.00 0.00 C ATOM 127 O LEU A 10 13.436 2.790 3.623 1.00 0.00 O ATOM 128 CB LEU A 10 12.927 -0.418 4.094 1.00 0.00 C ATOM 129 CG LEU A 10 13.722 -1.626 4.633 1.00 0.00 C ATOM 130 CD1 LEU A 10 14.373 -2.422 3.499 1.00 0.00 C ATOM 131 CD2 LEU A 10 14.757 -1.190 5.681 1.00 0.00 C ATOM 0 H LEU A 10 15.165 0.849 4.467 1.00 0.00 H new ATOM 0 HA LEU A 10 13.602 -0.021 2.116 1.00 0.00 H new ATOM 0 HB2 LEU A 10 12.623 0.197 4.941 1.00 0.00 H new ATOM 0 HB3 LEU A 10 12.015 -0.790 3.626 1.00 0.00 H new ATOM 0 HG LEU A 10 13.013 -2.290 5.128 1.00 0.00 H new ATOM 0 HD11 LEU A 10 14.924 -3.265 3.916 1.00 0.00 H new ATOM 0 HD12 LEU A 10 13.601 -2.791 2.824 1.00 0.00 H new ATOM 0 HD13 LEU A 10 15.058 -1.777 2.948 1.00 0.00 H new ATOM 0 HD21 LEU A 10 15.300 -2.064 6.041 1.00 0.00 H new ATOM 0 HD22 LEU A 10 15.458 -0.487 5.230 1.00 0.00 H new ATOM 0 HD23 LEU A 10 14.248 -0.709 6.517 1.00 0.00 H new ATOM 143 N TYR A 11 11.948 1.952 2.181 1.00 0.00 N ATOM 144 CA TYR A 11 11.321 3.216 1.861 1.00 0.00 C ATOM 145 C TYR A 11 9.903 2.956 1.398 1.00 0.00 C ATOM 146 O TYR A 11 9.623 2.773 0.212 1.00 0.00 O ATOM 147 CB TYR A 11 12.114 3.947 0.765 1.00 0.00 C ATOM 148 CG TYR A 11 13.546 4.296 1.122 1.00 0.00 C ATOM 149 CD1 TYR A 11 13.792 5.132 2.219 1.00 0.00 C ATOM 150 CD2 TYR A 11 14.622 3.714 0.429 1.00 0.00 C ATOM 151 CE1 TYR A 11 15.114 5.411 2.629 1.00 0.00 C ATOM 152 CE2 TYR A 11 15.943 3.976 0.854 1.00 0.00 C ATOM 153 CZ TYR A 11 16.182 4.827 1.953 1.00 0.00 C ATOM 154 OH TYR A 11 17.445 5.197 2.303 1.00 0.00 O ATOM 0 H TYR A 11 11.503 1.149 1.737 1.00 0.00 H new ATOM 0 HA TYR A 11 11.307 3.850 2.748 1.00 0.00 H new ATOM 0 HB2 TYR A 11 12.122 3.325 -0.130 1.00 0.00 H new ATOM 0 HB3 TYR A 11 11.586 4.866 0.510 1.00 0.00 H new ATOM 0 HD1 TYR A 11 12.962 5.567 2.756 1.00 0.00 H new ATOM 0 HD2 TYR A 11 14.440 3.072 -0.421 1.00 0.00 H new ATOM 0 HE1 TYR A 11 15.296 6.074 3.462 1.00 0.00 H new ATOM 0 HE2 TYR A 11 16.774 3.522 0.335 1.00 0.00 H new ATOM 0 HH TYR A 11 18.034 5.127 1.523 1.00 0.00 H new ATOM 164 N ASN A 12 8.977 2.867 2.348 1.00 0.00 N ATOM 165 CA ASN A 12 7.589 2.617 2.008 1.00 0.00 C ATOM 166 C ASN A 12 7.135 3.666 1.023 1.00 0.00 C ATOM 167 O ASN A 12 7.239 4.830 1.366 1.00 0.00 O ATOM 168 CB ASN A 12 6.719 2.677 3.271 1.00 0.00 C ATOM 169 CG ASN A 12 5.821 1.473 3.328 1.00 0.00 C ATOM 170 OD1 ASN A 12 5.977 0.619 4.169 1.00 0.00 O ATOM 171 ND2 ASN A 12 4.859 1.398 2.437 1.00 0.00 N ATOM 0 H ASN A 12 9.163 2.964 3.346 1.00 0.00 H new ATOM 0 HA ASN A 12 7.492 1.626 1.566 1.00 0.00 H new ATOM 0 HB2 ASN A 12 7.351 2.713 4.158 1.00 0.00 H new ATOM 0 HB3 ASN A 12 6.121 3.588 3.269 1.00 0.00 H new ATOM 0 HD21 ASN A 12 4.219 0.604 2.443 1.00 0.00 H new ATOM 0 HD22 ASN A 12 4.752 2.134 1.739 1.00 0.00 H new ATOM 178 N GLN A 13 6.607 3.280 -0.137 1.00 0.00 N ATOM 179 CA GLN A 13 6.125 4.267 -1.109 1.00 0.00 C ATOM 180 C GLN A 13 5.203 5.290 -0.449 1.00 0.00 C ATOM 181 O GLN A 13 5.274 6.474 -0.741 1.00 0.00 O ATOM 182 CB GLN A 13 5.386 3.549 -2.231 1.00 0.00 C ATOM 183 CG GLN A 13 4.615 4.523 -3.159 1.00 0.00 C ATOM 184 CD GLN A 13 4.988 4.340 -4.605 1.00 0.00 C ATOM 185 OE1 GLN A 13 6.265 4.381 -4.844 1.00 0.00 O flip ATOM 186 NE2 GLN A 13 4.206 4.047 -5.479 1.00 0.00 N flip ATOM 0 H GLN A 13 6.502 2.308 -0.427 1.00 0.00 H new ATOM 0 HA GLN A 13 6.984 4.803 -1.514 1.00 0.00 H new ATOM 0 HB2 GLN A 13 6.100 2.978 -2.824 1.00 0.00 H new ATOM 0 HB3 GLN A 13 4.686 2.834 -1.800 1.00 0.00 H new ATOM 0 HG2 GLN A 13 3.543 4.366 -3.039 1.00 0.00 H new ATOM 0 HG3 GLN A 13 4.822 5.550 -2.859 1.00 0.00 H new ATOM 0 HE21 GLN A 13 3.206 4.018 -5.280 1.00 0.00 H new ATOM 0 HE22 GLN A 13 4.546 3.829 -6.416 1.00 0.00 H new ATOM 195 N ASN A 14 4.421 4.832 0.529 1.00 0.00 N ATOM 196 CA ASN A 14 3.567 5.714 1.291 1.00 0.00 C ATOM 197 C ASN A 14 4.375 6.765 2.031 1.00 0.00 C ATOM 198 O ASN A 14 4.009 7.912 2.032 1.00 0.00 O ATOM 199 CB ASN A 14 2.794 4.924 2.348 1.00 0.00 C ATOM 200 CG ASN A 14 1.493 5.622 2.702 1.00 0.00 C ATOM 201 OD1 ASN A 14 1.405 6.824 2.834 1.00 0.00 O ATOM 202 ND2 ASN A 14 0.475 4.830 2.911 1.00 0.00 N ATOM 0 H ASN A 14 4.368 3.851 0.805 1.00 0.00 H new ATOM 0 HA ASN A 14 2.892 6.189 0.579 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.584 3.921 1.977 1.00 0.00 H new ATOM 0 HB3 ASN A 14 3.406 4.811 3.243 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -0.425 5.219 3.193 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.580 3.822 2.792 1.00 0.00 H new ATOM 209 N LYS A 15 5.472 6.392 2.683 1.00 0.00 N ATOM 210 CA LYS A 15 6.387 7.335 3.311 1.00 0.00 C ATOM 211 C LYS A 15 7.202 8.102 2.285 1.00 0.00 C ATOM 212 O LYS A 15 7.287 9.299 2.416 1.00 0.00 O ATOM 213 CB LYS A 15 7.287 6.592 4.293 1.00 0.00 C ATOM 214 CG LYS A 15 6.872 6.936 5.729 1.00 0.00 C ATOM 215 CD LYS A 15 6.931 5.684 6.608 1.00 0.00 C ATOM 216 CE LYS A 15 5.678 4.826 6.426 1.00 0.00 C ATOM 217 NZ LYS A 15 5.953 3.424 6.812 1.00 0.00 N ATOM 0 H LYS A 15 5.752 5.417 2.790 1.00 0.00 H new ATOM 0 HA LYS A 15 5.801 8.075 3.856 1.00 0.00 H new ATOM 0 HB2 LYS A 15 7.212 5.517 4.129 1.00 0.00 H new ATOM 0 HB3 LYS A 15 8.329 6.868 4.128 1.00 0.00 H new ATOM 0 HG2 LYS A 15 7.532 7.704 6.132 1.00 0.00 H new ATOM 0 HG3 LYS A 15 5.863 7.347 5.735 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.816 5.100 6.356 1.00 0.00 H new ATOM 0 HD3 LYS A 15 7.028 5.974 7.654 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.865 5.224 7.033 1.00 0.00 H new ATOM 0 HE3 LYS A 15 5.349 4.866 5.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.093 2.853 6.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 6.714 3.043 6.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 6.245 3.389 7.810 1.00 0.00 H new ATOM 231 N ALA A 16 7.719 7.468 1.247 1.00 0.00 N ATOM 232 CA ALA A 16 8.445 8.140 0.189 1.00 0.00 C ATOM 233 C ALA A 16 7.648 9.304 -0.379 1.00 0.00 C ATOM 234 O ALA A 16 8.190 10.374 -0.611 1.00 0.00 O ATOM 235 CB ALA A 16 8.806 7.122 -0.880 1.00 0.00 C ATOM 0 H ALA A 16 7.644 6.459 1.116 1.00 0.00 H new ATOM 0 HA ALA A 16 9.362 8.569 0.592 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.353 7.616 -1.683 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.429 6.341 -0.443 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.895 6.678 -1.282 1.00 0.00 H new ATOM 241 N GLU A 17 6.341 9.116 -0.532 1.00 0.00 N ATOM 242 CA GLU A 17 5.462 10.166 -0.982 1.00 0.00 C ATOM 243 C GLU A 17 5.007 11.011 0.189 1.00 0.00 C ATOM 244 O GLU A 17 5.081 12.222 0.081 1.00 0.00 O ATOM 245 CB GLU A 17 4.295 9.579 -1.776 1.00 0.00 C ATOM 246 CG GLU A 17 3.219 8.979 -0.873 1.00 0.00 C ATOM 247 CD GLU A 17 2.129 8.273 -1.644 1.00 0.00 C ATOM 248 OE1 GLU A 17 2.484 7.486 -2.547 1.00 0.00 O ATOM 249 OE2 GLU A 17 0.962 8.530 -1.281 1.00 0.00 O ATOM 0 H GLU A 17 5.871 8.230 -0.345 1.00 0.00 H new ATOM 0 HA GLU A 17 6.004 10.828 -1.658 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.852 10.359 -2.396 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.669 8.810 -2.451 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.683 8.275 -0.183 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.775 9.771 -0.270 1.00 0.00 H new ATOM 256 N SER A 18 4.552 10.398 1.288 1.00 0.00 N ATOM 257 CA SER A 18 3.953 11.048 2.443 1.00 0.00 C ATOM 258 C SER A 18 4.999 11.912 3.081 1.00 0.00 C ATOM 259 O SER A 18 4.808 13.108 3.120 1.00 0.00 O ATOM 260 CB SER A 18 3.447 10.084 3.512 1.00 0.00 C ATOM 261 OG SER A 18 3.039 10.779 4.680 1.00 0.00 O ATOM 0 H SER A 18 4.597 9.385 1.394 1.00 0.00 H new ATOM 0 HA SER A 18 3.091 11.605 2.075 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.610 9.507 3.118 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.233 9.373 3.765 1.00 0.00 H new ATOM 0 HG SER A 18 2.718 10.137 5.347 1.00 0.00 H new ATOM 267 N ASN A 19 6.121 11.346 3.521 1.00 0.00 N ATOM 268 CA ASN A 19 7.266 12.102 4.000 1.00 0.00 C ATOM 269 C ASN A 19 7.506 13.373 3.185 1.00 0.00 C ATOM 270 O ASN A 19 7.728 14.438 3.750 1.00 0.00 O ATOM 271 CB ASN A 19 8.535 11.251 3.995 1.00 0.00 C ATOM 272 CG ASN A 19 9.682 12.019 4.568 1.00 0.00 C ATOM 273 OD1 ASN A 19 10.709 12.145 3.949 1.00 0.00 O ATOM 274 ND2 ASN A 19 9.510 12.579 5.738 1.00 0.00 N ATOM 0 H ASN A 19 6.258 10.336 3.553 1.00 0.00 H new ATOM 0 HA ASN A 19 7.030 12.393 5.024 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.373 10.342 4.574 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.769 10.942 2.976 1.00 0.00 H new ATOM 0 HD21 ASN A 19 10.256 13.140 6.150 1.00 0.00 H new ATOM 0 HD22 ASN A 19 8.630 12.455 6.238 1.00 0.00 H new ATOM 281 N SER A 20 7.346 13.267 1.866 1.00 0.00 N ATOM 282 CA SER A 20 7.424 14.409 0.969 1.00 0.00 C ATOM 283 C SER A 20 6.181 15.277 0.932 1.00 0.00 C ATOM 284 O SER A 20 6.295 16.485 0.831 1.00 0.00 O ATOM 285 CB SER A 20 7.722 13.948 -0.456 1.00 0.00 C ATOM 286 OG SER A 20 6.737 14.279 -1.429 1.00 0.00 O ATOM 0 H SER A 20 7.158 12.383 1.393 1.00 0.00 H new ATOM 0 HA SER A 20 8.230 15.021 1.374 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.673 14.380 -0.767 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.850 12.866 -0.449 1.00 0.00 H new ATOM 0 HG SER A 20 5.933 13.739 -1.278 1.00 0.00 H new ATOM 292 N HIS A 21 4.983 14.679 0.994 1.00 0.00 N ATOM 293 CA HIS A 21 3.688 15.345 1.012 1.00 0.00 C ATOM 294 C HIS A 21 3.734 16.541 1.954 1.00 0.00 C ATOM 295 O HIS A 21 3.097 17.553 1.682 1.00 0.00 O ATOM 296 CB HIS A 21 2.553 14.370 1.402 1.00 0.00 C ATOM 297 CG HIS A 21 1.990 13.539 0.273 1.00 0.00 C ATOM 298 ND1 HIS A 21 2.598 13.192 -0.902 1.00 0.00 N flip ATOM 299 CD2 HIS A 21 0.718 13.007 0.270 1.00 0.00 C flip ATOM 300 CE1 HIS A 21 1.690 12.440 -1.617 1.00 0.00 C flip ATOM 301 NE2 HIS A 21 0.558 12.343 -0.891 1.00 0.00 N flip ATOM 0 H HIS A 21 4.895 13.664 1.035 1.00 0.00 H new ATOM 0 HA HIS A 21 3.470 15.700 0.005 1.00 0.00 H new ATOM 0 HB2 HIS A 21 2.926 13.697 2.174 1.00 0.00 H new ATOM 0 HB3 HIS A 21 1.741 14.945 1.846 1.00 0.00 H new ATOM 0 HD1 HIS A 21 3.543 13.442 -1.194 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -0.017 13.105 1.056 1.00 0.00 H new ATOM 0 HE1 HIS A 21 1.857 12.004 -2.591 1.00 0.00 H new ATOM 310 N HIS A 22 4.473 16.402 3.060 1.00 0.00 N ATOM 311 CA HIS A 22 4.680 17.442 4.034 1.00 0.00 C ATOM 312 C HIS A 22 5.652 18.489 3.518 1.00 0.00 C ATOM 313 O HIS A 22 5.300 19.662 3.526 1.00 0.00 O ATOM 314 CB HIS A 22 5.167 16.858 5.361 1.00 0.00 C ATOM 315 CG HIS A 22 4.884 15.392 5.602 1.00 0.00 C ATOM 316 ND1 HIS A 22 5.710 14.567 6.302 1.00 0.00 N ATOM 317 CD2 HIS A 22 3.829 14.637 5.191 1.00 0.00 C ATOM 318 CE1 HIS A 22 5.196 13.339 6.340 1.00 0.00 C ATOM 319 NE2 HIS A 22 4.032 13.356 5.667 1.00 0.00 N ATOM 0 H HIS A 22 4.951 15.532 3.295 1.00 0.00 H new ATOM 0 HA HIS A 22 3.721 17.930 4.209 1.00 0.00 H new ATOM 0 HB2 HIS A 22 6.244 17.012 5.426 1.00 0.00 H new ATOM 0 HB3 HIS A 22 4.714 17.430 6.171 1.00 0.00 H new ATOM 0 HD1 HIS A 22 6.591 14.847 6.733 1.00 0.00 H new ATOM 0 HD2 HIS A 22 2.989 14.976 4.602 1.00 0.00 H new ATOM 0 HE1 HIS A 22 5.636 12.481 6.826 1.00 0.00 H new ATOM 0 HE2 HIS A 22 3.407 12.561 5.531 1.00 0.00 H new ATOM 328 N ALA A 23 6.824 18.043 3.050 1.00 0.00 N ATOM 329 CA ALA A 23 7.819 18.887 2.424 1.00 0.00 C ATOM 330 C ALA A 23 7.169 19.977 1.545 1.00 0.00 C ATOM 331 O ALA A 23 6.350 19.675 0.671 1.00 0.00 O ATOM 332 CB ALA A 23 8.816 18.055 1.618 1.00 0.00 C ATOM 0 H ALA A 23 7.102 17.063 3.103 1.00 0.00 H new ATOM 0 HA ALA A 23 8.366 19.392 3.220 1.00 0.00 H new ATOM 0 HB1 ALA A 23 9.552 18.714 1.158 1.00 0.00 H new ATOM 0 HB2 ALA A 23 9.322 17.352 2.280 1.00 0.00 H new ATOM 0 HB3 ALA A 23 8.286 17.505 0.840 1.00 0.00 H new ATOM 338 N PRO A 24 7.520 21.247 1.786 1.00 0.00 N ATOM 339 CA PRO A 24 6.946 22.353 1.054 1.00 0.00 C ATOM 340 C PRO A 24 7.502 22.389 -0.360 1.00 0.00 C ATOM 341 O PRO A 24 8.709 22.289 -0.578 1.00 0.00 O ATOM 342 CB PRO A 24 7.275 23.601 1.864 1.00 0.00 C ATOM 343 CG PRO A 24 8.409 23.197 2.800 1.00 0.00 C ATOM 344 CD PRO A 24 8.500 21.676 2.762 1.00 0.00 C ATOM 0 HA PRO A 24 5.866 22.268 0.935 1.00 0.00 H new ATOM 0 HB2 PRO A 24 7.578 24.422 1.214 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.406 23.943 2.426 1.00 0.00 H new ATOM 0 HG2 PRO A 24 9.350 23.647 2.483 1.00 0.00 H new ATOM 0 HG3 PRO A 24 8.215 23.546 3.814 1.00 0.00 H new ATOM 0 HD2 PRO A 24 9.501 21.351 2.480 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.290 21.247 3.742 1.00 0.00 H new ATOM 352 N LEU A 25 6.598 22.527 -1.326 1.00 0.00 N ATOM 353 CA LEU A 25 6.962 22.600 -2.723 1.00 0.00 C ATOM 354 C LEU A 25 7.879 23.784 -2.974 1.00 0.00 C ATOM 355 O LEU A 25 7.454 24.926 -2.824 1.00 0.00 O ATOM 356 CB LEU A 25 5.696 22.647 -3.582 1.00 0.00 C ATOM 357 CG LEU A 25 5.901 22.086 -4.986 1.00 0.00 C ATOM 358 CD1 LEU A 25 6.699 20.779 -5.005 1.00 0.00 C ATOM 359 CD2 LEU A 25 4.530 21.869 -5.669 1.00 0.00 C ATOM 0 H LEU A 25 5.595 22.591 -1.154 1.00 0.00 H new ATOM 0 HA LEU A 25 7.520 21.707 -3.005 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.906 22.084 -3.085 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.353 23.679 -3.657 1.00 0.00 H new ATOM 0 HG LEU A 25 6.489 22.822 -5.534 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.809 20.434 -6.033 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.685 20.948 -4.572 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.172 20.023 -4.423 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.682 21.468 -6.671 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.939 21.165 -5.083 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.002 22.820 -5.735 1.00 0.00 H new ATOM 371 N SER A 26 9.134 23.513 -3.318 1.00 0.00 N ATOM 372 CA SER A 26 10.126 24.556 -3.561 1.00 0.00 C ATOM 373 C SER A 26 11.470 23.959 -3.929 1.00 0.00 C ATOM 374 O SER A 26 11.813 22.887 -3.451 1.00 0.00 O ATOM 375 CB SER A 26 10.354 25.390 -2.301 1.00 0.00 C ATOM 376 OG SER A 26 9.625 26.593 -2.376 1.00 0.00 O ATOM 0 H SER A 26 9.492 22.565 -3.436 1.00 0.00 H new ATOM 0 HA SER A 26 9.738 25.168 -4.375 1.00 0.00 H new ATOM 0 HB2 SER A 26 10.047 24.824 -1.421 1.00 0.00 H new ATOM 0 HB3 SER A 26 11.416 25.606 -2.186 1.00 0.00 H new ATOM 0 HG SER A 26 8.681 26.393 -2.550 1.00 0.00 H new ATOM 382 N ASP A 27 12.263 24.658 -4.733 1.00 0.00 N ATOM 383 CA ASP A 27 13.573 24.150 -5.150 1.00 0.00 C ATOM 384 C ASP A 27 14.610 24.546 -4.094 1.00 0.00 C ATOM 385 O ASP A 27 15.337 25.525 -4.231 1.00 0.00 O ATOM 386 CB ASP A 27 13.927 24.742 -6.511 1.00 0.00 C ATOM 387 CG ASP A 27 15.429 24.693 -6.809 1.00 0.00 C ATOM 388 OD1 ASP A 27 16.114 23.802 -6.277 1.00 0.00 O ATOM 389 OD2 ASP A 27 15.871 25.567 -7.595 1.00 0.00 O ATOM 0 H ASP A 27 12.026 25.576 -5.110 1.00 0.00 H new ATOM 0 HA ASP A 27 13.557 23.064 -5.239 1.00 0.00 H new ATOM 0 HB2 ASP A 27 13.389 24.200 -7.289 1.00 0.00 H new ATOM 0 HB3 ASP A 27 13.587 25.777 -6.551 1.00 0.00 H new ATOM 394 N GLY A 28 14.644 23.807 -2.994 1.00 0.00 N ATOM 395 CA GLY A 28 15.635 24.065 -1.966 1.00 0.00 C ATOM 396 C GLY A 28 15.358 25.393 -1.288 1.00 0.00 C ATOM 397 O GLY A 28 16.025 26.394 -1.530 1.00 0.00 O ATOM 0 H GLY A 28 14.006 23.036 -2.794 1.00 0.00 H new ATOM 0 HA2 GLY A 28 15.621 23.263 -1.228 1.00 0.00 H new ATOM 0 HA3 GLY A 28 16.632 24.075 -2.407 1.00 0.00 H new ATOM 401 N LYS A 29 14.361 25.396 -0.402 1.00 0.00 N ATOM 402 CA LYS A 29 13.991 26.589 0.359 1.00 0.00 C ATOM 403 C LYS A 29 13.368 26.236 1.695 1.00 0.00 C ATOM 404 O LYS A 29 12.398 26.838 2.147 1.00 0.00 O ATOM 405 CB LYS A 29 13.095 27.489 -0.503 1.00 0.00 C ATOM 406 CG LYS A 29 13.901 28.624 -1.143 1.00 0.00 C ATOM 407 CD LYS A 29 13.054 29.896 -1.247 1.00 0.00 C ATOM 408 CE LYS A 29 13.328 30.817 -0.049 1.00 0.00 C ATOM 409 NZ LYS A 29 12.155 30.889 0.848 1.00 0.00 N ATOM 0 H LYS A 29 13.791 24.577 -0.193 1.00 0.00 H new ATOM 0 HA LYS A 29 14.893 27.151 0.603 1.00 0.00 H new ATOM 0 HB2 LYS A 29 12.619 26.893 -1.282 1.00 0.00 H new ATOM 0 HB3 LYS A 29 12.297 27.907 0.111 1.00 0.00 H new ATOM 0 HG2 LYS A 29 14.794 28.823 -0.550 1.00 0.00 H new ATOM 0 HG3 LYS A 29 14.238 28.323 -2.135 1.00 0.00 H new ATOM 0 HD2 LYS A 29 13.282 30.418 -2.176 1.00 0.00 H new ATOM 0 HD3 LYS A 29 11.996 29.635 -1.280 1.00 0.00 H new ATOM 0 HE2 LYS A 29 14.191 30.450 0.506 1.00 0.00 H new ATOM 0 HE3 LYS A 29 13.579 31.816 -0.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 12.368 31.518 1.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.339 31.262 0.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 11.932 29.938 1.205 1.00 0.00 H new ATOM 423 N THR A 30 13.931 25.237 2.332 1.00 0.00 N ATOM 424 CA THR A 30 13.427 24.711 3.594 1.00 0.00 C ATOM 425 C THR A 30 14.517 24.826 4.625 1.00 0.00 C ATOM 426 O THR A 30 15.687 24.934 4.266 1.00 0.00 O ATOM 427 CB THR A 30 13.013 23.260 3.381 1.00 0.00 C ATOM 428 OG1 THR A 30 14.038 22.703 2.624 1.00 0.00 O ATOM 429 CG2 THR A 30 11.730 23.146 2.578 1.00 0.00 C ATOM 0 H THR A 30 14.763 24.755 1.990 1.00 0.00 H new ATOM 0 HA THR A 30 12.559 25.271 3.943 1.00 0.00 H new ATOM 0 HB THR A 30 12.845 22.770 4.340 1.00 0.00 H new ATOM 0 HG1 THR A 30 14.212 21.789 2.931 1.00 0.00 H new ATOM 0 HG21 THR A 30 11.473 22.094 2.451 1.00 0.00 H new ATOM 0 HG22 THR A 30 10.924 23.655 3.106 1.00 0.00 H new ATOM 0 HG23 THR A 30 11.871 23.606 1.600 1.00 0.00 H new ATOM 437 N GLY A 31 14.134 24.807 5.902 1.00 0.00 N ATOM 438 CA GLY A 31 15.025 24.934 7.046 1.00 0.00 C ATOM 439 C GLY A 31 16.342 24.217 6.818 1.00 0.00 C ATOM 440 O GLY A 31 17.362 24.850 6.544 1.00 0.00 O ATOM 0 H GLY A 31 13.157 24.698 6.174 1.00 0.00 H new ATOM 0 HA2 GLY A 31 15.215 25.989 7.243 1.00 0.00 H new ATOM 0 HA3 GLY A 31 14.538 24.527 7.932 1.00 0.00 H new ATOM 444 N SER A 32 16.321 22.889 6.961 1.00 0.00 N ATOM 445 CA SER A 32 17.507 22.086 6.716 1.00 0.00 C ATOM 446 C SER A 32 18.057 22.335 5.331 1.00 0.00 C ATOM 447 O SER A 32 19.237 22.668 5.225 1.00 0.00 O ATOM 448 CB SER A 32 17.227 20.602 6.902 1.00 0.00 C ATOM 449 OG SER A 32 18.324 19.841 6.422 1.00 0.00 O ATOM 0 H SER A 32 15.498 22.356 7.244 1.00 0.00 H new ATOM 0 HA SER A 32 18.253 22.389 7.450 1.00 0.00 H new ATOM 0 HB2 SER A 32 17.056 20.384 7.956 1.00 0.00 H new ATOM 0 HB3 SER A 32 16.319 20.324 6.367 1.00 0.00 H new ATOM 0 HG SER A 32 18.197 18.899 6.658 1.00 0.00 H new ATOM 455 N SER A 33 17.227 22.122 4.303 1.00 0.00 N ATOM 456 CA SER A 33 17.574 22.347 2.897 1.00 0.00 C ATOM 457 C SER A 33 16.638 21.606 1.972 1.00 0.00 C ATOM 458 O SER A 33 16.121 22.195 1.036 1.00 0.00 O ATOM 459 CB SER A 33 18.983 21.839 2.569 1.00 0.00 C ATOM 460 OG SER A 33 19.948 22.860 2.515 1.00 0.00 O ATOM 0 H SER A 33 16.274 21.781 4.430 1.00 0.00 H new ATOM 0 HA SER A 33 17.505 23.425 2.750 1.00 0.00 H new ATOM 0 HB2 SER A 33 19.281 21.107 3.320 1.00 0.00 H new ATOM 0 HB3 SER A 33 18.960 21.320 1.611 1.00 0.00 H new ATOM 0 HG SER A 33 20.100 23.214 3.416 1.00 0.00 H new ATOM 466 N TYR A 34 16.465 20.306 2.226 1.00 0.00 N ATOM 467 CA TYR A 34 15.584 19.457 1.460 1.00 0.00 C ATOM 468 C TYR A 34 14.092 19.785 1.680 1.00 0.00 C ATOM 469 O TYR A 34 13.722 20.086 2.814 1.00 0.00 O ATOM 470 CB TYR A 34 15.811 18.020 1.890 1.00 0.00 C ATOM 471 CG TYR A 34 17.166 17.477 1.480 1.00 0.00 C ATOM 472 CD1 TYR A 34 17.368 16.991 0.177 1.00 0.00 C ATOM 473 CD2 TYR A 34 18.220 17.448 2.414 1.00 0.00 C ATOM 474 CE1 TYR A 34 18.634 16.485 -0.174 1.00 0.00 C ATOM 475 CE2 TYR A 34 19.483 16.922 2.055 1.00 0.00 C ATOM 476 CZ TYR A 34 19.679 16.438 0.756 1.00 0.00 C ATOM 477 OH TYR A 34 20.871 15.875 0.416 1.00 0.00 O ATOM 0 H TYR A 34 16.945 19.819 2.983 1.00 0.00 H new ATOM 0 HA TYR A 34 15.812 19.618 0.406 1.00 0.00 H new ATOM 0 HB2 TYR A 34 15.713 17.953 2.974 1.00 0.00 H new ATOM 0 HB3 TYR A 34 15.031 17.392 1.460 1.00 0.00 H new ATOM 0 HD1 TYR A 34 16.564 17.005 -0.544 1.00 0.00 H new ATOM 0 HD2 TYR A 34 18.063 17.830 3.412 1.00 0.00 H new ATOM 0 HE1 TYR A 34 18.802 16.127 -1.179 1.00 0.00 H new ATOM 0 HE2 TYR A 34 20.287 16.894 2.775 1.00 0.00 H new ATOM 0 HH TYR A 34 21.486 15.926 1.177 1.00 0.00 H new ATOM 487 N PRO A 35 13.258 19.605 0.644 1.00 0.00 N ATOM 488 CA PRO A 35 13.703 19.072 -0.624 1.00 0.00 C ATOM 489 C PRO A 35 14.434 20.101 -1.458 1.00 0.00 C ATOM 490 O PRO A 35 14.627 21.220 -1.028 1.00 0.00 O ATOM 491 CB PRO A 35 12.459 18.583 -1.296 1.00 0.00 C ATOM 492 CG PRO A 35 11.276 19.280 -0.666 1.00 0.00 C ATOM 493 CD PRO A 35 11.824 19.871 0.633 1.00 0.00 C ATOM 0 HA PRO A 35 14.430 18.272 -0.487 1.00 0.00 H new ATOM 0 HB2 PRO A 35 12.498 18.791 -2.365 1.00 0.00 H new ATOM 0 HB3 PRO A 35 12.367 17.503 -1.185 1.00 0.00 H new ATOM 0 HG2 PRO A 35 10.880 20.058 -1.319 1.00 0.00 H new ATOM 0 HG3 PRO A 35 10.462 18.582 -0.472 1.00 0.00 H new ATOM 0 HD2 PRO A 35 11.629 20.942 0.683 1.00 0.00 H new ATOM 0 HD3 PRO A 35 11.340 19.418 1.498 1.00 0.00 H new ATOM 501 N HIS A 36 14.902 19.727 -2.635 1.00 0.00 N ATOM 502 CA HIS A 36 15.623 20.652 -3.507 1.00 0.00 C ATOM 503 C HIS A 36 15.503 20.237 -4.950 1.00 0.00 C ATOM 504 O HIS A 36 15.026 19.146 -5.199 1.00 0.00 O ATOM 505 CB HIS A 36 17.074 20.812 -3.038 1.00 0.00 C ATOM 506 CG HIS A 36 17.890 19.550 -2.997 1.00 0.00 C ATOM 507 ND1 HIS A 36 19.225 19.493 -2.676 1.00 0.00 N ATOM 508 CD2 HIS A 36 17.465 18.291 -3.260 1.00 0.00 C ATOM 509 CE1 HIS A 36 19.619 18.210 -2.778 1.00 0.00 C ATOM 510 NE2 HIS A 36 18.558 17.469 -3.138 1.00 0.00 N ATOM 0 H HIS A 36 14.798 18.786 -3.015 1.00 0.00 H new ATOM 0 HA HIS A 36 15.165 21.639 -3.439 1.00 0.00 H new ATOM 0 HB2 HIS A 36 17.573 21.524 -3.696 1.00 0.00 H new ATOM 0 HB3 HIS A 36 17.067 21.251 -2.040 1.00 0.00 H new ATOM 0 HD1 HIS A 36 19.813 20.282 -2.408 1.00 0.00 H new ATOM 0 HD2 HIS A 36 16.460 17.991 -3.516 1.00 0.00 H new ATOM 0 HE1 HIS A 36 20.618 17.840 -2.601 1.00 0.00 H new ATOM 519 N TRP A 37 15.876 21.079 -5.898 1.00 0.00 N ATOM 520 CA TRP A 37 15.858 20.664 -7.296 1.00 0.00 C ATOM 521 C TRP A 37 16.819 19.494 -7.494 1.00 0.00 C ATOM 522 O TRP A 37 17.846 19.369 -6.827 1.00 0.00 O ATOM 523 CB TRP A 37 16.270 21.818 -8.196 1.00 0.00 C ATOM 524 CG TRP A 37 16.566 21.526 -9.614 1.00 0.00 C ATOM 525 CD1 TRP A 37 15.806 20.808 -10.464 1.00 0.00 C ATOM 526 CD2 TRP A 37 17.706 21.970 -10.369 1.00 0.00 C ATOM 527 NE1 TRP A 37 16.418 20.722 -11.691 1.00 0.00 N ATOM 528 CE2 TRP A 37 17.585 21.444 -11.684 1.00 0.00 C ATOM 529 CE3 TRP A 37 18.822 22.759 -10.053 1.00 0.00 C ATOM 530 CZ2 TRP A 37 18.547 21.667 -12.664 1.00 0.00 C ATOM 531 CZ3 TRP A 37 19.796 23.005 -11.030 1.00 0.00 C ATOM 532 CH2 TRP A 37 19.658 22.445 -12.309 1.00 0.00 C ATOM 0 H TRP A 37 16.190 22.036 -5.735 1.00 0.00 H new ATOM 0 HA TRP A 37 14.846 20.356 -7.559 1.00 0.00 H new ATOM 0 HB2 TRP A 37 15.474 22.562 -8.168 1.00 0.00 H new ATOM 0 HB3 TRP A 37 17.155 22.281 -7.760 1.00 0.00 H new ATOM 0 HD1 TRP A 37 14.853 20.364 -10.216 1.00 0.00 H new ATOM 0 HE1 TRP A 37 16.058 20.199 -12.489 1.00 0.00 H new ATOM 0 HE3 TRP A 37 18.930 23.175 -9.062 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 18.442 21.257 -13.658 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 20.650 23.624 -10.799 1.00 0.00 H new ATOM 0 HH2 TRP A 37 20.431 22.619 -13.043 1.00 0.00 H new ATOM 543 N PHE A 38 16.495 18.682 -8.489 1.00 0.00 N ATOM 544 CA PHE A 38 17.169 17.465 -8.829 1.00 0.00 C ATOM 545 C PHE A 38 17.543 17.599 -10.280 1.00 0.00 C ATOM 546 O PHE A 38 16.825 17.134 -11.166 1.00 0.00 O ATOM 547 CB PHE A 38 16.225 16.265 -8.655 1.00 0.00 C ATOM 548 CG PHE A 38 16.767 14.960 -9.181 1.00 0.00 C ATOM 549 CD1 PHE A 38 18.114 14.617 -8.986 1.00 0.00 C ATOM 550 CD2 PHE A 38 15.913 14.112 -9.896 1.00 0.00 C ATOM 551 CE1 PHE A 38 18.608 13.415 -9.518 1.00 0.00 C ATOM 552 CE2 PHE A 38 16.407 12.906 -10.422 1.00 0.00 C ATOM 553 CZ PHE A 38 17.749 12.569 -10.233 1.00 0.00 C ATOM 0 H PHE A 38 15.708 18.877 -9.108 1.00 0.00 H new ATOM 0 HA PHE A 38 18.038 17.301 -8.191 1.00 0.00 H new ATOM 0 HB2 PHE A 38 15.998 16.148 -7.595 1.00 0.00 H new ATOM 0 HB3 PHE A 38 15.284 16.483 -9.160 1.00 0.00 H new ATOM 0 HD1 PHE A 38 18.767 15.274 -8.430 1.00 0.00 H new ATOM 0 HD2 PHE A 38 14.878 14.384 -10.043 1.00 0.00 H new ATOM 0 HE1 PHE A 38 19.644 13.144 -9.377 1.00 0.00 H new ATOM 0 HE2 PHE A 38 15.753 12.244 -10.969 1.00 0.00 H new ATOM 0 HZ PHE A 38 18.130 11.645 -10.643 1.00 0.00 H new ATOM 563 N THR A 39 18.682 18.247 -10.511 1.00 0.00 N ATOM 564 CA THR A 39 19.295 18.366 -11.826 1.00 0.00 C ATOM 565 C THR A 39 19.141 17.074 -12.593 1.00 0.00 C ATOM 566 O THR A 39 18.863 17.119 -13.774 1.00 0.00 O ATOM 567 CB THR A 39 20.778 18.727 -11.675 1.00 0.00 C ATOM 568 OG1 THR A 39 21.372 17.731 -10.877 1.00 0.00 O ATOM 569 CG2 THR A 39 20.978 20.033 -10.915 1.00 0.00 C ATOM 0 H THR A 39 19.213 18.712 -9.774 1.00 0.00 H new ATOM 0 HA THR A 39 18.794 19.158 -12.383 1.00 0.00 H new ATOM 0 HB THR A 39 21.205 18.816 -12.674 1.00 0.00 H new ATOM 0 HG1 THR A 39 22.325 17.930 -10.761 1.00 0.00 H new ATOM 0 HG21 THR A 39 22.044 20.247 -10.833 1.00 0.00 H new ATOM 0 HG22 THR A 39 20.485 20.845 -11.450 1.00 0.00 H new ATOM 0 HG23 THR A 39 20.548 19.943 -9.917 1.00 0.00 H new ATOM 577 N ASN A 40 19.218 15.912 -11.940 1.00 0.00 N ATOM 578 CA ASN A 40 19.035 14.619 -12.593 1.00 0.00 C ATOM 579 C ASN A 40 19.992 14.466 -13.774 1.00 0.00 C ATOM 580 O ASN A 40 19.749 13.740 -14.736 1.00 0.00 O ATOM 581 CB ASN A 40 17.557 14.436 -13.009 1.00 0.00 C ATOM 582 CG ASN A 40 17.296 13.070 -13.634 1.00 0.00 C ATOM 583 OD1 ASN A 40 17.936 12.077 -13.339 1.00 0.00 O ATOM 584 ND2 ASN A 40 16.321 12.980 -14.505 1.00 0.00 N ATOM 0 H ASN A 40 19.410 15.844 -10.940 1.00 0.00 H new ATOM 0 HA ASN A 40 19.278 13.826 -11.886 1.00 0.00 H new ATOM 0 HB2 ASN A 40 16.918 14.561 -12.135 1.00 0.00 H new ATOM 0 HB3 ASN A 40 17.283 15.216 -13.719 1.00 0.00 H new ATOM 0 HD21 ASN A 40 16.101 12.081 -14.933 1.00 0.00 H new ATOM 0 HD22 ASN A 40 15.782 13.809 -14.755 1.00 0.00 H new ATOM 591 N GLY A 41 21.059 15.255 -13.738 1.00 0.00 N ATOM 592 CA GLY A 41 21.948 15.374 -14.843 1.00 0.00 C ATOM 593 C GLY A 41 21.840 16.693 -15.600 1.00 0.00 C ATOM 594 O GLY A 41 22.868 17.220 -16.005 1.00 0.00 O ATOM 0 H GLY A 41 21.316 15.824 -12.931 1.00 0.00 H new ATOM 0 HA2 GLY A 41 22.971 15.258 -14.485 1.00 0.00 H new ATOM 0 HA3 GLY A 41 21.758 14.555 -15.536 1.00 0.00 H new ATOM 598 N TYR A 42 20.633 17.220 -15.812 1.00 0.00 N ATOM 599 CA TYR A 42 20.396 18.492 -16.471 1.00 0.00 C ATOM 600 C TYR A 42 21.277 19.599 -15.898 1.00 0.00 C ATOM 601 O TYR A 42 21.706 19.548 -14.748 1.00 0.00 O ATOM 602 CB TYR A 42 18.919 18.865 -16.295 1.00 0.00 C ATOM 603 CG TYR A 42 17.960 17.905 -16.987 1.00 0.00 C ATOM 604 CD1 TYR A 42 17.901 17.902 -18.382 1.00 0.00 C ATOM 605 CD2 TYR A 42 17.124 17.036 -16.267 1.00 0.00 C ATOM 606 CE1 TYR A 42 16.996 17.067 -19.072 1.00 0.00 C ATOM 607 CE2 TYR A 42 16.229 16.180 -16.939 1.00 0.00 C ATOM 608 CZ TYR A 42 16.173 16.206 -18.339 1.00 0.00 C ATOM 609 OH TYR A 42 15.278 15.438 -18.991 1.00 0.00 O ATOM 0 H TYR A 42 19.773 16.755 -15.519 1.00 0.00 H new ATOM 0 HA TYR A 42 20.645 18.389 -17.527 1.00 0.00 H new ATOM 0 HB2 TYR A 42 18.685 18.895 -15.231 1.00 0.00 H new ATOM 0 HB3 TYR A 42 18.758 19.870 -16.685 1.00 0.00 H new ATOM 0 HD1 TYR A 42 18.559 18.550 -18.943 1.00 0.00 H new ATOM 0 HD2 TYR A 42 17.168 17.024 -15.188 1.00 0.00 H new ATOM 0 HE1 TYR A 42 16.940 17.093 -20.150 1.00 0.00 H new ATOM 0 HE2 TYR A 42 15.592 15.510 -16.380 1.00 0.00 H new ATOM 0 HH TYR A 42 14.372 15.675 -18.703 1.00 0.00 H new ATOM 619 N ASP A 43 21.523 20.622 -16.706 1.00 0.00 N ATOM 620 CA ASP A 43 22.327 21.756 -16.251 1.00 0.00 C ATOM 621 C ASP A 43 21.465 22.763 -15.497 1.00 0.00 C ATOM 622 O ASP A 43 21.906 23.391 -14.539 1.00 0.00 O ATOM 623 CB ASP A 43 22.940 22.467 -17.461 1.00 0.00 C ATOM 624 CG ASP A 43 24.462 22.329 -17.555 1.00 0.00 C ATOM 625 OD1 ASP A 43 25.132 22.446 -16.502 1.00 0.00 O ATOM 626 OD2 ASP A 43 24.948 22.129 -18.689 1.00 0.00 O ATOM 0 H ASP A 43 21.185 20.693 -17.666 1.00 0.00 H new ATOM 0 HA ASP A 43 23.106 21.375 -15.590 1.00 0.00 H new ATOM 0 HB2 ASP A 43 22.492 22.067 -18.371 1.00 0.00 H new ATOM 0 HB3 ASP A 43 22.683 23.525 -17.417 1.00 0.00 H new ATOM 631 N GLY A 44 20.221 22.937 -15.949 1.00 0.00 N ATOM 632 CA GLY A 44 19.273 23.872 -15.367 1.00 0.00 C ATOM 633 C GLY A 44 17.894 23.700 -15.979 1.00 0.00 C ATOM 634 O GLY A 44 16.947 23.317 -15.296 1.00 0.00 O ATOM 0 H GLY A 44 19.844 22.420 -16.744 1.00 0.00 H new ATOM 0 HA2 GLY A 44 19.219 23.717 -14.289 1.00 0.00 H new ATOM 0 HA3 GLY A 44 19.620 24.893 -15.525 1.00 0.00 H new ATOM 638 N ASP A 45 17.796 23.927 -17.286 1.00 0.00 N ATOM 639 CA ASP A 45 16.526 23.832 -18.009 1.00 0.00 C ATOM 640 C ASP A 45 16.627 22.847 -19.146 1.00 0.00 C ATOM 641 O ASP A 45 15.919 21.844 -19.164 1.00 0.00 O ATOM 642 CB ASP A 45 16.146 25.196 -18.620 1.00 0.00 C ATOM 643 CG ASP A 45 14.832 25.752 -18.112 1.00 0.00 C ATOM 644 OD1 ASP A 45 14.778 25.846 -16.862 1.00 0.00 O ATOM 645 OD2 ASP A 45 13.922 26.084 -18.886 1.00 0.00 O ATOM 0 H ASP A 45 18.590 24.181 -17.874 1.00 0.00 H new ATOM 0 HA ASP A 45 15.773 23.508 -17.290 1.00 0.00 H new ATOM 0 HB2 ASP A 45 16.939 25.912 -18.406 1.00 0.00 H new ATOM 0 HB3 ASP A 45 16.092 25.095 -19.704 1.00 0.00 H new ATOM 650 N GLY A 46 17.489 23.174 -20.125 1.00 0.00 N ATOM 651 CA GLY A 46 17.755 22.354 -21.291 1.00 0.00 C ATOM 652 C GLY A 46 18.194 20.962 -20.878 1.00 0.00 C ATOM 653 O GLY A 46 18.177 20.604 -19.706 1.00 0.00 O ATOM 0 H GLY A 46 18.027 24.041 -20.115 1.00 0.00 H new ATOM 0 HA2 GLY A 46 16.859 22.290 -21.909 1.00 0.00 H new ATOM 0 HA3 GLY A 46 18.530 22.819 -21.900 1.00 0.00 H new ATOM 657 N LYS A 47 18.583 20.155 -21.860 1.00 0.00 N ATOM 658 CA LYS A 47 19.057 18.804 -21.598 1.00 0.00 C ATOM 659 C LYS A 47 20.297 18.830 -20.686 1.00 0.00 C ATOM 660 O LYS A 47 20.643 19.810 -20.031 1.00 0.00 O ATOM 661 CB LYS A 47 19.296 18.067 -22.917 1.00 0.00 C ATOM 662 CG LYS A 47 18.113 18.232 -23.892 1.00 0.00 C ATOM 663 CD LYS A 47 17.537 16.877 -24.294 1.00 0.00 C ATOM 664 CE LYS A 47 16.254 17.068 -25.108 1.00 0.00 C ATOM 665 NZ LYS A 47 16.356 16.377 -26.411 1.00 0.00 N ATOM 0 H LYS A 47 18.579 20.416 -22.846 1.00 0.00 H new ATOM 0 HA LYS A 47 18.292 18.247 -21.057 1.00 0.00 H new ATOM 0 HB2 LYS A 47 20.206 18.444 -23.384 1.00 0.00 H new ATOM 0 HB3 LYS A 47 19.456 17.008 -22.717 1.00 0.00 H new ATOM 0 HG2 LYS A 47 17.335 18.837 -23.426 1.00 0.00 H new ATOM 0 HG3 LYS A 47 18.443 18.768 -24.782 1.00 0.00 H new ATOM 0 HD2 LYS A 47 18.269 16.322 -24.881 1.00 0.00 H new ATOM 0 HD3 LYS A 47 17.327 16.285 -23.404 1.00 0.00 H new ATOM 0 HE2 LYS A 47 15.402 16.680 -24.550 1.00 0.00 H new ATOM 0 HE3 LYS A 47 16.073 18.131 -25.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 15.477 16.518 -26.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 17.157 16.766 -26.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 16.506 15.360 -26.254 1.00 0.00 H new ATOM 679 N LEU A 48 20.964 17.702 -20.618 1.00 0.00 N ATOM 680 CA LEU A 48 22.128 17.587 -19.772 1.00 0.00 C ATOM 681 C LEU A 48 23.397 17.868 -20.578 1.00 0.00 C ATOM 682 O LEU A 48 23.342 17.954 -21.809 1.00 0.00 O ATOM 683 CB LEU A 48 22.124 16.216 -19.105 1.00 0.00 C ATOM 684 CG LEU A 48 20.771 15.502 -19.020 1.00 0.00 C ATOM 685 CD1 LEU A 48 20.520 14.740 -20.326 1.00 0.00 C ATOM 686 CD2 LEU A 48 20.741 14.571 -17.827 1.00 0.00 C ATOM 0 H LEU A 48 20.723 16.856 -21.135 1.00 0.00 H new ATOM 0 HA LEU A 48 22.104 18.334 -18.978 1.00 0.00 H new ATOM 0 HB2 LEU A 48 22.817 15.571 -19.646 1.00 0.00 H new ATOM 0 HB3 LEU A 48 22.515 16.327 -18.094 1.00 0.00 H new ATOM 0 HG LEU A 48 19.977 16.236 -18.884 1.00 0.00 H new ATOM 0 HD11 LEU A 48 19.558 14.230 -20.271 1.00 0.00 H new ATOM 0 HD12 LEU A 48 20.511 15.441 -21.160 1.00 0.00 H new ATOM 0 HD13 LEU A 48 21.312 14.006 -20.477 1.00 0.00 H new ATOM 0 HD21 LEU A 48 19.774 14.071 -17.780 1.00 0.00 H new ATOM 0 HD22 LEU A 48 21.530 13.826 -17.927 1.00 0.00 H new ATOM 0 HD23 LEU A 48 20.898 15.145 -16.914 1.00 0.00 H new ATOM 698 N PRO A 49 24.539 17.998 -19.887 1.00 0.00 N ATOM 699 CA PRO A 49 25.802 18.233 -20.540 1.00 0.00 C ATOM 700 C PRO A 49 26.279 16.989 -21.270 1.00 0.00 C ATOM 701 O PRO A 49 25.887 15.858 -20.967 1.00 0.00 O ATOM 702 CB PRO A 49 26.752 18.688 -19.435 1.00 0.00 C ATOM 703 CG PRO A 49 26.115 18.249 -18.116 1.00 0.00 C ATOM 704 CD PRO A 49 24.679 17.874 -18.450 1.00 0.00 C ATOM 0 HA PRO A 49 25.735 18.995 -21.316 1.00 0.00 H new ATOM 0 HB2 PRO A 49 27.737 18.239 -19.560 1.00 0.00 H new ATOM 0 HB3 PRO A 49 26.889 19.769 -19.460 1.00 0.00 H new ATOM 0 HG2 PRO A 49 26.650 17.402 -17.687 1.00 0.00 H new ATOM 0 HG3 PRO A 49 26.148 19.052 -17.380 1.00 0.00 H new ATOM 0 HD2 PRO A 49 24.460 16.857 -18.126 1.00 0.00 H new ATOM 0 HD3 PRO A 49 23.978 18.531 -17.935 1.00 0.00 H new ATOM 712 N LYS A 50 27.159 17.189 -22.253 1.00 0.00 N ATOM 713 CA LYS A 50 27.752 16.098 -23.011 1.00 0.00 C ATOM 714 C LYS A 50 28.569 15.200 -22.082 1.00 0.00 C ATOM 715 O LYS A 50 29.720 15.494 -21.776 1.00 0.00 O ATOM 716 CB LYS A 50 28.544 16.647 -24.198 1.00 0.00 C ATOM 717 CG LYS A 50 29.650 15.679 -24.648 1.00 0.00 C ATOM 718 CD LYS A 50 30.001 15.825 -26.126 1.00 0.00 C ATOM 719 CE LYS A 50 31.455 16.277 -26.288 1.00 0.00 C ATOM 720 NZ LYS A 50 31.533 17.753 -26.377 1.00 0.00 N ATOM 0 H LYS A 50 27.477 18.114 -22.542 1.00 0.00 H new ATOM 0 HA LYS A 50 26.972 15.467 -23.437 1.00 0.00 H new ATOM 0 HB2 LYS A 50 27.866 16.835 -25.030 1.00 0.00 H new ATOM 0 HB3 LYS A 50 28.988 17.604 -23.926 1.00 0.00 H new ATOM 0 HG2 LYS A 50 30.544 15.852 -24.049 1.00 0.00 H new ATOM 0 HG3 LYS A 50 29.330 14.655 -24.455 1.00 0.00 H new ATOM 0 HD2 LYS A 50 29.850 14.874 -26.638 1.00 0.00 H new ATOM 0 HD3 LYS A 50 29.334 16.549 -26.595 1.00 0.00 H new ATOM 0 HE2 LYS A 50 32.047 15.926 -25.443 1.00 0.00 H new ATOM 0 HE3 LYS A 50 31.883 15.830 -27.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 32.526 18.042 -26.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 30.984 18.081 -27.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 31.144 18.174 -25.510 1.00 0.00 H new ATOM 734 N GLY A 51 27.961 14.106 -21.648 1.00 0.00 N ATOM 735 CA GLY A 51 28.585 13.190 -20.708 1.00 0.00 C ATOM 736 C GLY A 51 27.785 13.060 -19.428 1.00 0.00 C ATOM 737 O GLY A 51 28.372 13.013 -18.351 1.00 0.00 O ATOM 0 H GLY A 51 27.023 13.830 -21.938 1.00 0.00 H new ATOM 0 HA2 GLY A 51 28.689 12.209 -21.172 1.00 0.00 H new ATOM 0 HA3 GLY A 51 29.590 13.540 -20.474 1.00 0.00 H new ATOM 741 N ARG A 52 26.456 13.028 -19.527 1.00 0.00 N ATOM 742 CA ARG A 52 25.574 12.845 -18.383 1.00 0.00 C ATOM 743 C ARG A 52 24.678 11.642 -18.568 1.00 0.00 C ATOM 744 O ARG A 52 24.496 11.184 -19.691 1.00 0.00 O ATOM 745 CB ARG A 52 24.722 14.091 -18.200 1.00 0.00 C ATOM 746 CG ARG A 52 24.496 14.350 -16.711 1.00 0.00 C ATOM 747 CD ARG A 52 25.442 15.416 -16.161 1.00 0.00 C ATOM 748 NE ARG A 52 25.999 15.018 -14.867 1.00 0.00 N ATOM 749 CZ ARG A 52 27.079 14.275 -14.719 1.00 0.00 C ATOM 750 NH1 ARG A 52 27.748 13.839 -15.753 1.00 0.00 N ATOM 751 NH2 ARG A 52 27.523 13.986 -13.531 1.00 0.00 N ATOM 0 H ARG A 52 25.961 13.130 -20.413 1.00 0.00 H new ATOM 0 HA ARG A 52 26.189 12.677 -17.499 1.00 0.00 H new ATOM 0 HB2 ARG A 52 25.214 14.949 -18.657 1.00 0.00 H new ATOM 0 HB3 ARG A 52 23.765 13.966 -18.706 1.00 0.00 H new ATOM 0 HG2 ARG A 52 23.465 14.664 -16.551 1.00 0.00 H new ATOM 0 HG3 ARG A 52 24.636 13.422 -16.157 1.00 0.00 H new ATOM 0 HD2 ARG A 52 26.252 15.587 -16.870 1.00 0.00 H new ATOM 0 HD3 ARG A 52 24.907 16.360 -16.054 1.00 0.00 H new ATOM 0 HE ARG A 52 25.521 15.336 -14.024 1.00 0.00 H new ATOM 0 HH11 ARG A 52 27.438 14.072 -16.696 1.00 0.00 H new ATOM 0 HH12 ARG A 52 28.581 13.266 -15.617 1.00 0.00 H new ATOM 0 HH21 ARG A 52 27.035 14.334 -12.706 1.00 0.00 H new ATOM 0 HH22 ARG A 52 28.359 13.411 -13.425 1.00 0.00 H new ATOM 765 N THR A 53 24.115 11.163 -17.465 1.00 0.00 N ATOM 766 CA THR A 53 23.250 9.993 -17.489 1.00 0.00 C ATOM 767 C THR A 53 22.058 10.202 -16.551 1.00 0.00 C ATOM 768 O THR A 53 22.202 10.053 -15.339 1.00 0.00 O ATOM 769 CB THR A 53 24.070 8.740 -17.194 1.00 0.00 C ATOM 770 OG1 THR A 53 24.936 8.523 -18.289 1.00 0.00 O ATOM 771 CG2 THR A 53 23.213 7.483 -17.103 1.00 0.00 C ATOM 0 H THR A 53 24.244 11.570 -16.539 1.00 0.00 H new ATOM 0 HA THR A 53 22.824 9.849 -18.482 1.00 0.00 H new ATOM 0 HB THR A 53 24.579 8.905 -16.244 1.00 0.00 H new ATOM 0 HG1 THR A 53 25.477 7.723 -18.124 1.00 0.00 H new ATOM 0 HG21 THR A 53 23.849 6.623 -16.892 1.00 0.00 H new ATOM 0 HG22 THR A 53 22.482 7.598 -16.303 1.00 0.00 H new ATOM 0 HG23 THR A 53 22.695 7.327 -18.049 1.00 0.00 H new ATOM 779 N PRO A 54 20.900 10.605 -17.111 1.00 0.00 N ATOM 780 CA PRO A 54 19.697 10.810 -16.328 1.00 0.00 C ATOM 781 C PRO A 54 19.097 9.492 -15.865 1.00 0.00 C ATOM 782 O PRO A 54 19.354 8.419 -16.415 1.00 0.00 O ATOM 783 CB PRO A 54 18.733 11.578 -17.229 1.00 0.00 C ATOM 784 CG PRO A 54 19.242 11.361 -18.663 1.00 0.00 C ATOM 785 CD PRO A 54 20.656 10.797 -18.534 1.00 0.00 C ATOM 0 HA PRO A 54 19.914 11.368 -15.417 1.00 0.00 H new ATOM 0 HB2 PRO A 54 17.713 11.210 -17.115 1.00 0.00 H new ATOM 0 HB3 PRO A 54 18.719 12.638 -16.975 1.00 0.00 H new ATOM 0 HG2 PRO A 54 18.596 10.671 -19.205 1.00 0.00 H new ATOM 0 HG3 PRO A 54 19.246 12.298 -19.220 1.00 0.00 H new ATOM 0 HD2 PRO A 54 20.748 9.854 -19.073 1.00 0.00 H new ATOM 0 HD3 PRO A 54 21.387 11.482 -18.963 1.00 0.00 H new ATOM 793 N ILE A 55 18.250 9.575 -14.848 1.00 0.00 N ATOM 794 CA ILE A 55 17.616 8.401 -14.278 1.00 0.00 C ATOM 795 C ILE A 55 16.374 8.103 -15.096 1.00 0.00 C ATOM 796 O ILE A 55 15.512 8.955 -15.268 1.00 0.00 O ATOM 797 CB ILE A 55 17.338 8.612 -12.784 1.00 0.00 C ATOM 798 CG1 ILE A 55 18.613 9.125 -12.084 1.00 0.00 C ATOM 799 CG2 ILE A 55 16.877 7.285 -12.181 1.00 0.00 C ATOM 800 CD1 ILE A 55 18.507 9.059 -10.576 1.00 0.00 C ATOM 0 H ILE A 55 17.986 10.453 -14.400 1.00 0.00 H new ATOM 0 HA ILE A 55 18.270 7.530 -14.326 1.00 0.00 H new ATOM 0 HB ILE A 55 16.555 9.358 -12.645 1.00 0.00 H new ATOM 0 HG12 ILE A 55 19.468 8.534 -12.412 1.00 0.00 H new ATOM 0 HG13 ILE A 55 18.802 10.155 -12.388 1.00 0.00 H new ATOM 0 HG21 ILE A 55 16.675 7.419 -11.118 1.00 0.00 H new ATOM 0 HG22 ILE A 55 15.969 6.953 -12.684 1.00 0.00 H new ATOM 0 HG23 ILE A 55 17.658 6.536 -12.310 1.00 0.00 H new ATOM 0 HD11 ILE A 55 19.429 9.431 -10.130 1.00 0.00 H new ATOM 0 HD12 ILE A 55 17.670 9.672 -10.243 1.00 0.00 H new ATOM 0 HD13 ILE A 55 18.346 8.026 -10.267 1.00 0.00 H new ATOM 812 N LYS A 56 16.299 6.908 -15.673 1.00 0.00 N ATOM 813 CA LYS A 56 15.124 6.511 -16.433 1.00 0.00 C ATOM 814 C LYS A 56 14.067 6.005 -15.465 1.00 0.00 C ATOM 815 O LYS A 56 14.342 5.168 -14.608 1.00 0.00 O ATOM 816 CB LYS A 56 15.545 5.500 -17.505 1.00 0.00 C ATOM 817 CG LYS A 56 14.344 4.719 -18.060 1.00 0.00 C ATOM 818 CD LYS A 56 14.009 3.512 -17.161 1.00 0.00 C ATOM 819 CE LYS A 56 14.287 2.195 -17.867 1.00 0.00 C ATOM 820 NZ LYS A 56 13.021 1.572 -18.297 1.00 0.00 N ATOM 0 H LYS A 56 17.035 6.203 -15.628 1.00 0.00 H new ATOM 0 HA LYS A 56 14.674 7.348 -16.968 1.00 0.00 H new ATOM 0 HB2 LYS A 56 16.046 6.023 -18.320 1.00 0.00 H new ATOM 0 HB3 LYS A 56 16.268 4.802 -17.082 1.00 0.00 H new ATOM 0 HG2 LYS A 56 13.478 5.377 -18.129 1.00 0.00 H new ATOM 0 HG3 LYS A 56 14.565 4.375 -19.070 1.00 0.00 H new ATOM 0 HD2 LYS A 56 14.597 3.566 -16.245 1.00 0.00 H new ATOM 0 HD3 LYS A 56 12.960 3.555 -16.869 1.00 0.00 H new ATOM 0 HE2 LYS A 56 14.929 2.365 -18.731 1.00 0.00 H new ATOM 0 HE3 LYS A 56 14.824 1.522 -17.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 13.223 0.672 -18.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 12.422 1.393 -17.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 12.524 2.211 -18.951 1.00 0.00 H new ATOM 834 N PHE A 57 12.832 6.443 -15.671 1.00 0.00 N ATOM 835 CA PHE A 57 11.698 6.051 -14.851 1.00 0.00 C ATOM 836 C PHE A 57 10.662 5.326 -15.685 1.00 0.00 C ATOM 837 O PHE A 57 10.265 4.209 -15.367 1.00 0.00 O ATOM 838 CB PHE A 57 11.107 7.307 -14.228 1.00 0.00 C ATOM 839 CG PHE A 57 12.127 8.264 -13.639 1.00 0.00 C ATOM 840 CD1 PHE A 57 12.489 8.153 -12.297 1.00 0.00 C ATOM 841 CD2 PHE A 57 12.665 9.302 -14.409 1.00 0.00 C ATOM 842 CE1 PHE A 57 13.421 9.035 -11.720 1.00 0.00 C ATOM 843 CE2 PHE A 57 13.576 10.202 -13.827 1.00 0.00 C ATOM 844 CZ PHE A 57 13.974 10.052 -12.496 1.00 0.00 C ATOM 0 H PHE A 57 12.589 7.089 -16.422 1.00 0.00 H new ATOM 0 HA PHE A 57 12.022 5.366 -14.068 1.00 0.00 H new ATOM 0 HB2 PHE A 57 10.529 7.835 -14.987 1.00 0.00 H new ATOM 0 HB3 PHE A 57 10.409 7.013 -13.444 1.00 0.00 H new ATOM 0 HD1 PHE A 57 12.046 7.377 -11.690 1.00 0.00 H new ATOM 0 HD2 PHE A 57 12.382 9.411 -15.445 1.00 0.00 H new ATOM 0 HE1 PHE A 57 13.706 8.925 -10.684 1.00 0.00 H new ATOM 0 HE2 PHE A 57 13.972 11.017 -14.415 1.00 0.00 H new ATOM 0 HZ PHE A 57 14.707 10.721 -12.070 1.00 0.00 H new ATOM 854 N GLY A 58 10.273 5.953 -16.793 1.00 0.00 N ATOM 855 CA GLY A 58 9.243 5.445 -17.684 1.00 0.00 C ATOM 856 C GLY A 58 8.100 6.428 -17.863 1.00 0.00 C ATOM 857 O GLY A 58 7.163 6.149 -18.603 1.00 0.00 O ATOM 0 H GLY A 58 10.673 6.841 -17.098 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.684 5.223 -18.656 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.854 4.507 -17.288 1.00 0.00 H new ATOM 861 N LYS A 59 8.155 7.571 -17.176 1.00 0.00 N ATOM 862 CA LYS A 59 7.156 8.616 -17.304 1.00 0.00 C ATOM 863 C LYS A 59 7.659 9.708 -18.212 1.00 0.00 C ATOM 864 O LYS A 59 8.823 10.068 -18.122 1.00 0.00 O ATOM 865 CB LYS A 59 6.775 9.120 -15.904 1.00 0.00 C ATOM 866 CG LYS A 59 5.658 8.239 -15.327 1.00 0.00 C ATOM 867 CD LYS A 59 4.312 8.529 -16.009 1.00 0.00 C ATOM 868 CE LYS A 59 3.220 7.593 -15.508 1.00 0.00 C ATOM 869 NZ LYS A 59 1.886 8.190 -15.738 1.00 0.00 N ATOM 0 H LYS A 59 8.899 7.792 -16.515 1.00 0.00 H new ATOM 0 HA LYS A 59 6.250 8.226 -17.769 1.00 0.00 H new ATOM 0 HB2 LYS A 59 7.646 9.097 -15.249 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.443 10.157 -15.957 1.00 0.00 H new ATOM 0 HG2 LYS A 59 5.916 7.188 -15.458 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.570 8.414 -14.255 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.022 9.563 -15.820 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.419 8.421 -17.088 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.290 6.634 -16.021 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.360 7.397 -14.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.151 7.541 -15.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.818 9.094 -15.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.750 8.355 -16.756 1.00 0.00 H new ATOM 883 N SER A 60 6.759 10.251 -19.031 1.00 0.00 N ATOM 884 CA SER A 60 7.088 11.371 -19.914 1.00 0.00 C ATOM 885 C SER A 60 7.164 12.684 -19.137 1.00 0.00 C ATOM 886 O SER A 60 7.450 13.731 -19.696 1.00 0.00 O ATOM 887 CB SER A 60 6.063 11.462 -21.053 1.00 0.00 C ATOM 888 OG SER A 60 6.297 12.548 -21.938 1.00 0.00 O ATOM 0 H SER A 60 5.793 9.932 -19.102 1.00 0.00 H new ATOM 0 HA SER A 60 8.072 11.192 -20.346 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.078 10.531 -21.620 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.065 11.559 -20.626 1.00 0.00 H new ATOM 0 HG SER A 60 6.693 13.295 -21.442 1.00 0.00 H new ATOM 894 N ASP A 61 6.893 12.657 -17.831 1.00 0.00 N ATOM 895 CA ASP A 61 6.911 13.830 -16.978 1.00 0.00 C ATOM 896 C ASP A 61 8.312 14.034 -16.448 1.00 0.00 C ATOM 897 O ASP A 61 8.876 15.108 -16.634 1.00 0.00 O ATOM 898 CB ASP A 61 5.948 13.697 -15.790 1.00 0.00 C ATOM 899 CG ASP A 61 4.721 12.848 -16.103 1.00 0.00 C ATOM 900 OD1 ASP A 61 3.916 13.253 -16.964 1.00 0.00 O ATOM 901 OD2 ASP A 61 4.660 11.732 -15.550 1.00 0.00 O ATOM 0 H ASP A 61 6.651 11.800 -17.334 1.00 0.00 H new ATOM 0 HA ASP A 61 6.590 14.681 -17.578 1.00 0.00 H new ATOM 0 HB2 ASP A 61 6.480 13.257 -14.947 1.00 0.00 H new ATOM 0 HB3 ASP A 61 5.625 14.691 -15.480 1.00 0.00 H new ATOM 906 N CYS A 62 8.850 12.997 -15.799 1.00 0.00 N ATOM 907 CA CYS A 62 10.180 13.050 -15.229 1.00 0.00 C ATOM 908 C CYS A 62 11.211 12.962 -16.344 1.00 0.00 C ATOM 909 O CYS A 62 12.288 13.534 -16.226 1.00 0.00 O ATOM 910 CB CYS A 62 10.396 11.911 -14.224 1.00 0.00 C ATOM 911 SG CYS A 62 8.925 11.401 -13.292 1.00 0.00 S ATOM 0 H CYS A 62 8.371 12.107 -15.660 1.00 0.00 H new ATOM 0 HA CYS A 62 10.293 13.994 -14.697 1.00 0.00 H new ATOM 0 HB2 CYS A 62 10.783 11.045 -14.761 1.00 0.00 H new ATOM 0 HB3 CYS A 62 11.166 12.216 -13.515 1.00 0.00 H new ATOM 916 N ASP A 63 10.870 12.239 -17.417 1.00 0.00 N ATOM 917 CA ASP A 63 11.720 12.158 -18.603 1.00 0.00 C ATOM 918 C ASP A 63 11.834 13.520 -19.274 1.00 0.00 C ATOM 919 O ASP A 63 12.888 13.924 -19.768 1.00 0.00 O ATOM 920 CB ASP A 63 11.126 11.163 -19.609 1.00 0.00 C ATOM 921 CG ASP A 63 11.851 11.064 -20.960 1.00 0.00 C ATOM 922 OD1 ASP A 63 13.036 11.465 -21.054 1.00 0.00 O ATOM 923 OD2 ASP A 63 11.210 10.536 -21.890 1.00 0.00 O ATOM 0 H ASP A 63 10.006 11.700 -17.485 1.00 0.00 H new ATOM 0 HA ASP A 63 12.709 11.824 -18.288 1.00 0.00 H new ATOM 0 HB2 ASP A 63 11.116 10.174 -19.150 1.00 0.00 H new ATOM 0 HB3 ASP A 63 10.088 11.439 -19.795 1.00 0.00 H new ATOM 928 N ARG A 64 10.731 14.269 -19.293 1.00 0.00 N ATOM 929 CA ARG A 64 10.756 15.582 -19.897 1.00 0.00 C ATOM 930 C ARG A 64 11.864 16.467 -19.316 1.00 0.00 C ATOM 931 O ARG A 64 12.287 16.315 -18.173 1.00 0.00 O ATOM 932 CB ARG A 64 9.402 16.241 -19.727 1.00 0.00 C ATOM 933 CG ARG A 64 9.376 17.458 -18.797 1.00 0.00 C ATOM 934 CD ARG A 64 8.008 18.062 -18.566 1.00 0.00 C ATOM 935 NE ARG A 64 6.913 17.097 -18.668 1.00 0.00 N ATOM 936 CZ ARG A 64 6.331 16.707 -19.791 1.00 0.00 C ATOM 937 NH1 ARG A 64 6.668 17.229 -20.949 1.00 0.00 N ATOM 938 NH2 ARG A 64 5.433 15.766 -19.767 1.00 0.00 N ATOM 0 H ARG A 64 9.831 13.988 -18.903 1.00 0.00 H new ATOM 0 HA ARG A 64 10.975 15.461 -20.958 1.00 0.00 H new ATOM 0 HB2 ARG A 64 9.040 16.547 -20.708 1.00 0.00 H new ATOM 0 HB3 ARG A 64 8.701 15.499 -19.346 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.795 17.168 -17.833 1.00 0.00 H new ATOM 0 HG3 ARG A 64 10.030 18.226 -19.211 1.00 0.00 H new ATOM 0 HD2 ARG A 64 7.985 18.520 -17.577 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.846 18.860 -19.291 1.00 0.00 H new ATOM 0 HE ARG A 64 6.568 16.690 -17.799 1.00 0.00 H new ATOM 0 HH11 ARG A 64 7.390 17.948 -20.993 1.00 0.00 H new ATOM 0 HH12 ARG A 64 6.208 16.915 -21.803 1.00 0.00 H new ATOM 0 HH21 ARG A 64 5.177 15.328 -18.882 1.00 0.00 H new ATOM 0 HH22 ARG A 64 4.985 15.466 -20.633 1.00 0.00 H new ATOM 952 N PRO A 65 12.227 17.511 -20.075 1.00 0.00 N ATOM 953 CA PRO A 65 13.192 18.464 -19.588 1.00 0.00 C ATOM 954 C PRO A 65 12.651 19.361 -18.465 1.00 0.00 C ATOM 955 O PRO A 65 11.514 19.822 -18.553 1.00 0.00 O ATOM 956 CB PRO A 65 13.614 19.260 -20.808 1.00 0.00 C ATOM 957 CG PRO A 65 12.507 19.052 -21.850 1.00 0.00 C ATOM 958 CD PRO A 65 11.657 17.892 -21.355 1.00 0.00 C ATOM 0 HA PRO A 65 14.036 17.956 -19.121 1.00 0.00 H new ATOM 0 HB2 PRO A 65 13.728 20.316 -20.565 1.00 0.00 H new ATOM 0 HB3 PRO A 65 14.576 18.914 -21.186 1.00 0.00 H new ATOM 0 HG2 PRO A 65 11.905 19.954 -21.961 1.00 0.00 H new ATOM 0 HG3 PRO A 65 12.933 18.830 -22.829 1.00 0.00 H new ATOM 0 HD2 PRO A 65 10.614 18.188 -21.247 1.00 0.00 H new ATOM 0 HD3 PRO A 65 11.681 17.060 -22.059 1.00 0.00 H new ATOM 966 N PRO A 66 13.466 19.665 -17.439 1.00 0.00 N ATOM 967 CA PRO A 66 13.086 20.533 -16.347 1.00 0.00 C ATOM 968 C PRO A 66 13.036 21.985 -16.785 1.00 0.00 C ATOM 969 O PRO A 66 13.360 22.347 -17.908 1.00 0.00 O ATOM 970 CB PRO A 66 14.114 20.299 -15.247 1.00 0.00 C ATOM 971 CG PRO A 66 15.319 19.674 -15.939 1.00 0.00 C ATOM 972 CD PRO A 66 14.841 19.240 -17.318 1.00 0.00 C ATOM 0 HA PRO A 66 12.081 20.308 -15.989 1.00 0.00 H new ATOM 0 HB2 PRO A 66 14.385 21.235 -14.758 1.00 0.00 H new ATOM 0 HB3 PRO A 66 13.719 19.638 -14.475 1.00 0.00 H new ATOM 0 HG2 PRO A 66 16.137 20.390 -16.018 1.00 0.00 H new ATOM 0 HG3 PRO A 66 15.695 18.823 -15.372 1.00 0.00 H new ATOM 0 HD2 PRO A 66 15.454 19.690 -18.099 1.00 0.00 H new ATOM 0 HD3 PRO A 66 14.922 18.159 -17.432 1.00 0.00 H new ATOM 980 N LYS A 67 12.504 22.827 -15.906 1.00 0.00 N ATOM 981 CA LYS A 67 12.362 24.245 -16.182 1.00 0.00 C ATOM 982 C LYS A 67 12.790 25.019 -14.953 1.00 0.00 C ATOM 983 O LYS A 67 11.971 25.717 -14.391 1.00 0.00 O ATOM 984 CB LYS A 67 10.966 24.609 -16.696 1.00 0.00 C ATOM 985 CG LYS A 67 10.785 26.113 -16.934 1.00 0.00 C ATOM 986 CD LYS A 67 10.565 26.420 -18.409 1.00 0.00 C ATOM 987 CE LYS A 67 10.175 27.885 -18.578 1.00 0.00 C ATOM 988 NZ LYS A 67 11.381 28.737 -18.667 1.00 0.00 N ATOM 0 H LYS A 67 12.162 22.544 -14.988 1.00 0.00 H new ATOM 0 HA LYS A 67 13.018 24.527 -17.005 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.778 24.075 -17.627 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.221 24.269 -15.977 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.935 26.475 -16.355 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.665 26.648 -16.577 1.00 0.00 H new ATOM 0 HD2 LYS A 67 11.473 26.208 -18.974 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.782 25.777 -18.811 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.571 28.005 -19.477 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.560 28.203 -17.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 11.096 29.731 -18.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.942 28.636 -17.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.953 28.444 -19.485 1.00 0.00 H new ATOM 1002 N HIS A 68 14.013 24.831 -14.479 1.00 0.00 N ATOM 1003 CA HIS A 68 14.516 25.623 -13.360 1.00 0.00 C ATOM 1004 C HIS A 68 14.866 27.073 -13.754 1.00 0.00 C ATOM 1005 O HIS A 68 15.278 27.412 -14.857 1.00 0.00 O ATOM 1006 CB HIS A 68 15.704 24.863 -12.758 1.00 0.00 C ATOM 1007 CG HIS A 68 16.420 25.597 -11.670 1.00 0.00 C ATOM 1008 ND1 HIS A 68 17.554 26.366 -11.851 1.00 0.00 N ATOM 1009 CD2 HIS A 68 16.066 25.641 -10.366 1.00 0.00 C ATOM 1010 CE1 HIS A 68 17.896 26.864 -10.649 1.00 0.00 C ATOM 1011 NE2 HIS A 68 16.991 26.445 -9.746 1.00 0.00 N ATOM 0 H HIS A 68 14.672 24.144 -14.846 1.00 0.00 H new ATOM 0 HA HIS A 68 13.733 25.740 -12.611 1.00 0.00 H new ATOM 0 HB2 HIS A 68 15.348 23.911 -12.364 1.00 0.00 H new ATOM 0 HB3 HIS A 68 16.414 24.634 -13.553 1.00 0.00 H new ATOM 0 HD2 HIS A 68 15.225 25.144 -9.905 1.00 0.00 H new ATOM 0 HE1 HIS A 68 18.750 27.492 -10.444 1.00 0.00 H new ATOM 0 HE2 HIS A 68 16.992 26.687 -8.755 1.00 0.00 H new ATOM 1020 N SER A 69 14.830 27.973 -12.786 1.00 0.00 N ATOM 1021 CA SER A 69 15.175 29.374 -13.007 1.00 0.00 C ATOM 1022 C SER A 69 15.926 29.925 -11.819 1.00 0.00 C ATOM 1023 O SER A 69 16.326 29.194 -10.917 1.00 0.00 O ATOM 1024 CB SER A 69 13.905 30.169 -13.308 1.00 0.00 C ATOM 1025 OG SER A 69 14.003 30.736 -14.607 1.00 0.00 O ATOM 0 H SER A 69 14.562 27.758 -11.826 1.00 0.00 H new ATOM 0 HA SER A 69 15.837 29.461 -13.868 1.00 0.00 H new ATOM 0 HB2 SER A 69 13.032 29.519 -13.247 1.00 0.00 H new ATOM 0 HB3 SER A 69 13.769 30.955 -12.565 1.00 0.00 H new ATOM 0 HG SER A 69 13.189 31.245 -14.804 1.00 0.00 H new ATOM 1031 N LYS A 70 16.158 31.231 -11.819 1.00 0.00 N ATOM 1032 CA LYS A 70 16.807 31.895 -10.705 1.00 0.00 C ATOM 1033 C LYS A 70 15.795 32.268 -9.624 1.00 0.00 C ATOM 1034 O LYS A 70 15.499 33.438 -9.438 1.00 0.00 O ATOM 1035 CB LYS A 70 17.609 33.087 -11.243 1.00 0.00 C ATOM 1036 CG LYS A 70 19.097 32.906 -10.924 1.00 0.00 C ATOM 1037 CD LYS A 70 19.733 34.239 -10.530 1.00 0.00 C ATOM 1038 CE LYS A 70 20.068 35.062 -11.775 1.00 0.00 C ATOM 1039 NZ LYS A 70 20.596 36.388 -11.389 1.00 0.00 N ATOM 0 H LYS A 70 15.903 31.853 -12.586 1.00 0.00 H new ATOM 0 HA LYS A 70 17.509 31.222 -10.214 1.00 0.00 H new ATOM 0 HB2 LYS A 70 17.468 33.174 -12.320 1.00 0.00 H new ATOM 0 HB3 LYS A 70 17.243 34.012 -10.798 1.00 0.00 H new ATOM 0 HG2 LYS A 70 19.215 32.188 -10.113 1.00 0.00 H new ATOM 0 HG3 LYS A 70 19.612 32.494 -11.792 1.00 0.00 H new ATOM 0 HD2 LYS A 70 19.051 34.799 -9.890 1.00 0.00 H new ATOM 0 HD3 LYS A 70 20.639 34.059 -9.951 1.00 0.00 H new ATOM 0 HE2 LYS A 70 20.803 34.533 -12.381 1.00 0.00 H new ATOM 0 HE3 LYS A 70 19.176 35.183 -12.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 20.819 36.935 -12.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 19.882 36.896 -10.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 21.459 36.266 -10.821 1.00 0.00 H new ATOM 1053 N ASP A 71 15.263 31.261 -8.946 1.00 0.00 N ATOM 1054 CA ASP A 71 14.290 31.463 -7.872 1.00 0.00 C ATOM 1055 C ASP A 71 13.910 30.129 -7.254 1.00 0.00 C ATOM 1056 O ASP A 71 13.818 29.996 -6.036 1.00 0.00 O ATOM 1057 CB ASP A 71 13.008 32.121 -8.424 1.00 0.00 C ATOM 1058 CG ASP A 71 12.760 33.543 -7.906 1.00 0.00 C ATOM 1059 OD1 ASP A 71 13.346 33.930 -6.864 1.00 0.00 O ATOM 1060 OD2 ASP A 71 11.945 34.219 -8.570 1.00 0.00 O ATOM 0 H ASP A 71 15.490 30.282 -9.121 1.00 0.00 H new ATOM 0 HA ASP A 71 14.746 32.109 -7.122 1.00 0.00 H new ATOM 0 HB2 ASP A 71 13.066 32.147 -9.512 1.00 0.00 H new ATOM 0 HB3 ASP A 71 12.152 31.497 -8.165 1.00 0.00 H new ATOM 1065 N GLY A 72 13.704 29.138 -8.124 1.00 0.00 N ATOM 1066 CA GLY A 72 13.330 27.807 -7.716 1.00 0.00 C ATOM 1067 C GLY A 72 12.062 27.326 -8.384 1.00 0.00 C ATOM 1068 O GLY A 72 12.116 26.562 -9.339 1.00 0.00 O ATOM 0 H GLY A 72 13.796 29.250 -9.134 1.00 0.00 H new ATOM 0 HA2 GLY A 72 14.142 27.118 -7.949 1.00 0.00 H new ATOM 0 HA3 GLY A 72 13.196 27.787 -6.634 1.00 0.00 H new ATOM 1072 N ASN A 73 10.919 27.782 -7.881 1.00 0.00 N ATOM 1073 CA ASN A 73 9.609 27.459 -8.410 1.00 0.00 C ATOM 1074 C ASN A 73 8.929 28.743 -8.865 1.00 0.00 C ATOM 1075 O ASN A 73 7.872 29.080 -8.344 1.00 0.00 O ATOM 1076 CB ASN A 73 8.760 26.763 -7.330 1.00 0.00 C ATOM 1077 CG ASN A 73 8.683 27.547 -6.024 1.00 0.00 C ATOM 1078 OD1 ASN A 73 9.656 27.656 -5.297 1.00 0.00 O ATOM 1079 ND2 ASN A 73 7.522 28.071 -5.687 1.00 0.00 N ATOM 0 H ASN A 73 10.883 28.403 -7.072 1.00 0.00 H new ATOM 0 HA ASN A 73 9.713 26.781 -9.257 1.00 0.00 H new ATOM 0 HB2 ASN A 73 7.751 26.610 -7.714 1.00 0.00 H new ATOM 0 HB3 ASN A 73 9.178 25.776 -7.129 1.00 0.00 H new ATOM 0 HD21 ASN A 73 7.427 28.577 -4.806 1.00 0.00 H new ATOM 0 HD22 ASN A 73 6.718 27.971 -6.307 1.00 0.00 H new ATOM 1086 N GLY A 74 9.548 29.470 -9.795 1.00 0.00 N ATOM 1087 CA GLY A 74 9.002 30.722 -10.312 1.00 0.00 C ATOM 1088 C GLY A 74 7.609 30.554 -10.910 1.00 0.00 C ATOM 1089 O GLY A 74 6.614 30.450 -10.203 1.00 0.00 O ATOM 0 H GLY A 74 10.442 29.207 -10.210 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.961 31.456 -9.507 1.00 0.00 H new ATOM 0 HA3 GLY A 74 9.674 31.120 -11.072 1.00 0.00 H new ATOM 1093 N LYS A 75 7.512 30.579 -12.239 1.00 0.00 N ATOM 1094 CA LYS A 75 6.232 30.371 -12.916 1.00 0.00 C ATOM 1095 C LYS A 75 5.653 28.986 -12.598 1.00 0.00 C ATOM 1096 O LYS A 75 4.956 28.780 -11.616 1.00 0.00 O ATOM 1097 CB LYS A 75 6.421 30.618 -14.419 1.00 0.00 C ATOM 1098 CG LYS A 75 6.648 32.110 -14.707 1.00 0.00 C ATOM 1099 CD LYS A 75 5.838 32.546 -15.933 1.00 0.00 C ATOM 1100 CE LYS A 75 5.757 34.072 -16.006 1.00 0.00 C ATOM 1101 NZ LYS A 75 4.635 34.492 -16.876 1.00 0.00 N ATOM 0 H LYS A 75 8.300 30.740 -12.866 1.00 0.00 H new ATOM 0 HA LYS A 75 5.494 31.084 -12.548 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.271 30.040 -14.782 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.543 30.269 -14.962 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.356 32.703 -13.840 1.00 0.00 H new ATOM 0 HG3 LYS A 75 7.708 32.297 -14.878 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.301 32.157 -16.840 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.834 32.125 -15.882 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.622 34.483 -15.005 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.694 34.474 -16.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.595 35.531 -16.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.779 34.116 -17.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.741 34.125 -16.491 1.00 0.00 H new ATOM 1115 N THR A 76 5.898 28.036 -13.488 1.00 0.00 N ATOM 1116 CA THR A 76 5.428 26.670 -13.300 1.00 0.00 C ATOM 1117 C THR A 76 6.565 25.682 -13.423 1.00 0.00 C ATOM 1118 O THR A 76 6.361 24.555 -13.856 1.00 0.00 O ATOM 1119 CB THR A 76 4.257 26.399 -14.249 1.00 0.00 C ATOM 1120 OG1 THR A 76 3.357 25.566 -13.557 1.00 0.00 O ATOM 1121 CG2 THR A 76 4.641 25.728 -15.578 1.00 0.00 C ATOM 0 H THR A 76 6.421 28.186 -14.351 1.00 0.00 H new ATOM 0 HA THR A 76 5.049 26.539 -12.286 1.00 0.00 H new ATOM 0 HB THR A 76 3.832 27.363 -14.528 1.00 0.00 H new ATOM 0 HG1 THR A 76 2.588 25.368 -14.131 1.00 0.00 H new ATOM 0 HG21 THR A 76 3.746 25.577 -16.181 1.00 0.00 H new ATOM 0 HG22 THR A 76 5.340 26.366 -16.119 1.00 0.00 H new ATOM 0 HG23 THR A 76 5.110 24.765 -15.377 1.00 0.00 H new ATOM 1129 N ASP A 77 7.785 26.128 -13.124 1.00 0.00 N ATOM 1130 CA ASP A 77 8.999 25.348 -13.248 1.00 0.00 C ATOM 1131 C ASP A 77 8.714 23.893 -12.923 1.00 0.00 C ATOM 1132 O ASP A 77 8.480 23.544 -11.782 1.00 0.00 O ATOM 1133 CB ASP A 77 10.062 25.858 -12.270 1.00 0.00 C ATOM 1134 CG ASP A 77 10.475 27.324 -12.452 1.00 0.00 C ATOM 1135 OD1 ASP A 77 9.638 28.121 -12.943 1.00 0.00 O ATOM 1136 OD2 ASP A 77 11.625 27.654 -12.075 1.00 0.00 O ATOM 0 H ASP A 77 7.952 27.073 -12.779 1.00 0.00 H new ATOM 0 HA ASP A 77 9.361 25.443 -14.272 1.00 0.00 H new ATOM 0 HB2 ASP A 77 9.689 25.727 -11.254 1.00 0.00 H new ATOM 0 HB3 ASP A 77 10.950 25.233 -12.367 1.00 0.00 H new ATOM 1141 N HIS A 78 8.675 23.026 -13.928 1.00 0.00 N ATOM 1142 CA HIS A 78 8.352 21.612 -13.723 1.00 0.00 C ATOM 1143 C HIS A 78 9.597 20.830 -13.312 1.00 0.00 C ATOM 1144 O HIS A 78 9.700 19.628 -13.536 1.00 0.00 O ATOM 1145 CB HIS A 78 7.666 21.040 -14.969 1.00 0.00 C ATOM 1146 CG HIS A 78 8.409 21.236 -16.267 1.00 0.00 C ATOM 1147 ND1 HIS A 78 7.923 20.905 -17.505 1.00 0.00 N ATOM 1148 CD2 HIS A 78 9.634 21.793 -16.442 1.00 0.00 C ATOM 1149 CE1 HIS A 78 8.857 21.234 -18.419 1.00 0.00 C ATOM 1150 NE2 HIS A 78 9.892 21.819 -17.793 1.00 0.00 N ATOM 0 H HIS A 78 8.863 23.275 -14.899 1.00 0.00 H new ATOM 0 HA HIS A 78 7.644 21.516 -12.900 1.00 0.00 H new ATOM 0 HB2 HIS A 78 7.509 19.972 -14.818 1.00 0.00 H new ATOM 0 HB3 HIS A 78 6.681 21.497 -15.062 1.00 0.00 H new ATOM 0 HD1 HIS A 78 7.015 20.484 -17.700 1.00 0.00 H new ATOM 0 HD2 HIS A 78 10.289 22.151 -15.661 1.00 0.00 H new ATOM 0 HE1 HIS A 78 8.785 21.056 -19.482 1.00 0.00 H new ATOM 1159 N TYR A 79 10.601 21.557 -12.826 1.00 0.00 N ATOM 1160 CA TYR A 79 11.844 21.017 -12.342 1.00 0.00 C ATOM 1161 C TYR A 79 11.594 19.859 -11.378 1.00 0.00 C ATOM 1162 O TYR A 79 10.693 19.903 -10.541 1.00 0.00 O ATOM 1163 CB TYR A 79 12.633 22.142 -11.670 1.00 0.00 C ATOM 1164 CG TYR A 79 12.101 22.521 -10.292 1.00 0.00 C ATOM 1165 CD1 TYR A 79 10.993 23.360 -10.180 1.00 0.00 C ATOM 1166 CD2 TYR A 79 12.645 21.981 -9.121 1.00 0.00 C ATOM 1167 CE1 TYR A 79 10.436 23.717 -8.943 1.00 0.00 C ATOM 1168 CE2 TYR A 79 12.090 22.309 -7.866 1.00 0.00 C ATOM 1169 CZ TYR A 79 10.987 23.176 -7.788 1.00 0.00 C ATOM 1170 OH TYR A 79 10.463 23.550 -6.602 1.00 0.00 O ATOM 0 H TYR A 79 10.557 22.574 -12.761 1.00 0.00 H new ATOM 0 HA TYR A 79 12.424 20.617 -13.174 1.00 0.00 H new ATOM 0 HB2 TYR A 79 13.676 21.838 -11.577 1.00 0.00 H new ATOM 0 HB3 TYR A 79 12.614 23.022 -12.313 1.00 0.00 H new ATOM 0 HD1 TYR A 79 10.546 23.751 -11.082 1.00 0.00 H new ATOM 0 HD2 TYR A 79 13.491 21.312 -9.178 1.00 0.00 H new ATOM 0 HE1 TYR A 79 9.598 24.397 -8.890 1.00 0.00 H new ATOM 0 HE2 TYR A 79 12.514 21.893 -6.964 1.00 0.00 H new ATOM 0 HH TYR A 79 10.265 22.754 -6.066 1.00 0.00 H new ATOM 1180 N LEU A 80 12.354 18.785 -11.551 1.00 0.00 N ATOM 1181 CA LEU A 80 12.222 17.641 -10.668 1.00 0.00 C ATOM 1182 C LEU A 80 12.895 17.978 -9.352 1.00 0.00 C ATOM 1183 O LEU A 80 13.971 18.557 -9.354 1.00 0.00 O ATOM 1184 CB LEU A 80 12.847 16.419 -11.345 1.00 0.00 C ATOM 1185 CG LEU A 80 11.794 15.612 -12.128 1.00 0.00 C ATOM 1186 CD1 LEU A 80 12.248 15.378 -13.565 1.00 0.00 C ATOM 1187 CD2 LEU A 80 11.538 14.280 -11.424 1.00 0.00 C ATOM 0 H LEU A 80 13.057 18.685 -12.284 1.00 0.00 H new ATOM 0 HA LEU A 80 11.177 17.406 -10.466 1.00 0.00 H new ATOM 0 HB2 LEU A 80 13.638 16.741 -12.022 1.00 0.00 H new ATOM 0 HB3 LEU A 80 13.311 15.781 -10.592 1.00 0.00 H new ATOM 0 HG LEU A 80 10.866 16.183 -12.158 1.00 0.00 H new ATOM 0 HD11 LEU A 80 11.488 14.806 -14.098 1.00 0.00 H new ATOM 0 HD12 LEU A 80 12.395 16.337 -14.061 1.00 0.00 H new ATOM 0 HD13 LEU A 80 13.186 14.823 -13.564 1.00 0.00 H new ATOM 0 HD21 LEU A 80 10.793 13.712 -11.980 1.00 0.00 H new ATOM 0 HD22 LEU A 80 12.466 13.710 -11.374 1.00 0.00 H new ATOM 0 HD23 LEU A 80 11.172 14.467 -10.414 1.00 0.00 H new ATOM 1199 N LEU A 81 12.273 17.630 -8.244 1.00 0.00 N ATOM 1200 CA LEU A 81 12.845 17.844 -6.928 1.00 0.00 C ATOM 1201 C LEU A 81 12.900 16.513 -6.201 1.00 0.00 C ATOM 1202 O LEU A 81 12.037 15.652 -6.380 1.00 0.00 O ATOM 1203 CB LEU A 81 12.024 18.940 -6.230 1.00 0.00 C ATOM 1204 CG LEU A 81 12.046 18.893 -4.701 1.00 0.00 C ATOM 1205 CD1 LEU A 81 11.621 20.228 -4.123 1.00 0.00 C ATOM 1206 CD2 LEU A 81 11.218 17.750 -4.137 1.00 0.00 C ATOM 0 H LEU A 81 11.353 17.189 -8.230 1.00 0.00 H new ATOM 0 HA LEU A 81 13.874 18.203 -6.958 1.00 0.00 H new ATOM 0 HB2 LEU A 81 12.396 19.912 -6.553 1.00 0.00 H new ATOM 0 HB3 LEU A 81 10.990 18.867 -6.565 1.00 0.00 H new ATOM 0 HG LEU A 81 13.075 18.697 -4.398 1.00 0.00 H new ATOM 0 HD11 LEU A 81 11.642 20.177 -3.034 1.00 0.00 H new ATOM 0 HD12 LEU A 81 12.305 21.006 -4.463 1.00 0.00 H new ATOM 0 HD13 LEU A 81 10.610 20.463 -4.455 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.270 17.766 -3.048 1.00 0.00 H new ATOM 0 HD22 LEU A 81 10.181 17.862 -4.452 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.609 16.801 -4.505 1.00 0.00 H new ATOM 1218 N GLU A 82 13.901 16.367 -5.341 1.00 0.00 N ATOM 1219 CA GLU A 82 14.055 15.186 -4.525 1.00 0.00 C ATOM 1220 C GLU A 82 13.904 15.490 -3.043 1.00 0.00 C ATOM 1221 O GLU A 82 14.089 16.625 -2.600 1.00 0.00 O ATOM 1222 CB GLU A 82 15.413 14.547 -4.779 1.00 0.00 C ATOM 1223 CG GLU A 82 16.562 15.340 -4.210 1.00 0.00 C ATOM 1224 CD GLU A 82 17.250 16.132 -5.292 1.00 0.00 C ATOM 1225 OE1 GLU A 82 16.580 17.097 -5.727 1.00 0.00 O ATOM 1226 OE2 GLU A 82 18.445 15.889 -5.476 1.00 0.00 O ATOM 0 H GLU A 82 14.626 17.070 -5.195 1.00 0.00 H new ATOM 0 HA GLU A 82 13.261 14.494 -4.806 1.00 0.00 H new ATOM 0 HB2 GLU A 82 15.422 13.546 -4.347 1.00 0.00 H new ATOM 0 HB3 GLU A 82 15.557 14.432 -5.853 1.00 0.00 H new ATOM 0 HG2 GLU A 82 16.197 16.014 -3.435 1.00 0.00 H new ATOM 0 HG3 GLU A 82 17.276 14.666 -3.736 1.00 0.00 H new ATOM 1233 N PHE A 83 13.689 14.449 -2.241 1.00 0.00 N ATOM 1234 CA PHE A 83 13.507 14.624 -0.805 1.00 0.00 C ATOM 1235 C PHE A 83 13.930 13.395 0.010 1.00 0.00 C ATOM 1236 O PHE A 83 13.598 12.282 -0.379 1.00 0.00 O ATOM 1237 CB PHE A 83 12.029 14.858 -0.553 1.00 0.00 C ATOM 1238 CG PHE A 83 11.704 15.292 0.843 1.00 0.00 C ATOM 1239 CD1 PHE A 83 12.191 16.512 1.326 1.00 0.00 C ATOM 1240 CD2 PHE A 83 10.940 14.461 1.668 1.00 0.00 C ATOM 1241 CE1 PHE A 83 11.921 16.946 2.626 1.00 0.00 C ATOM 1242 CE2 PHE A 83 10.656 14.910 2.961 1.00 0.00 C ATOM 1243 CZ PHE A 83 11.142 16.121 3.426 1.00 0.00 C ATOM 0 H PHE A 83 13.637 13.482 -2.560 1.00 0.00 H new ATOM 0 HA PHE A 83 14.132 15.460 -0.491 1.00 0.00 H new ATOM 0 HB2 PHE A 83 11.669 15.615 -1.250 1.00 0.00 H new ATOM 0 HB3 PHE A 83 11.485 13.939 -0.771 1.00 0.00 H new ATOM 0 HD1 PHE A 83 12.791 17.133 0.677 1.00 0.00 H new ATOM 0 HD2 PHE A 83 10.581 13.504 1.318 1.00 0.00 H new ATOM 0 HE1 PHE A 83 12.303 17.887 2.994 1.00 0.00 H new ATOM 0 HE2 PHE A 83 10.045 14.300 3.611 1.00 0.00 H new ATOM 0 HZ PHE A 83 10.910 16.431 4.434 1.00 0.00 H new ATOM 1253 N PRO A 84 14.687 13.575 1.104 1.00 0.00 N ATOM 1254 CA PRO A 84 15.201 12.485 1.903 1.00 0.00 C ATOM 1255 C PRO A 84 14.093 11.838 2.694 1.00 0.00 C ATOM 1256 O PRO A 84 13.650 12.391 3.689 1.00 0.00 O ATOM 1257 CB PRO A 84 16.290 13.073 2.791 1.00 0.00 C ATOM 1258 CG PRO A 84 16.039 14.577 2.791 1.00 0.00 C ATOM 1259 CD PRO A 84 15.071 14.847 1.654 1.00 0.00 C ATOM 0 HA PRO A 84 15.620 11.692 1.284 1.00 0.00 H new ATOM 0 HB2 PRO A 84 16.237 12.665 3.800 1.00 0.00 H new ATOM 0 HB3 PRO A 84 17.282 12.840 2.404 1.00 0.00 H new ATOM 0 HG2 PRO A 84 15.620 14.901 3.744 1.00 0.00 H new ATOM 0 HG3 PRO A 84 16.969 15.127 2.648 1.00 0.00 H new ATOM 0 HD2 PRO A 84 14.197 15.389 2.015 1.00 0.00 H new ATOM 0 HD3 PRO A 84 15.539 15.469 0.891 1.00 0.00 H new ATOM 1267 N THR A 85 13.668 10.666 2.236 1.00 0.00 N ATOM 1268 CA THR A 85 12.593 9.920 2.860 1.00 0.00 C ATOM 1269 C THR A 85 13.147 8.742 3.606 1.00 0.00 C ATOM 1270 O THR A 85 13.607 7.795 2.996 1.00 0.00 O ATOM 1271 CB THR A 85 11.546 9.512 1.828 1.00 0.00 C ATOM 1272 OG1 THR A 85 10.697 8.575 2.441 1.00 0.00 O ATOM 1273 CG2 THR A 85 12.137 8.833 0.581 1.00 0.00 C ATOM 0 H THR A 85 14.065 10.208 1.416 1.00 0.00 H new ATOM 0 HA THR A 85 12.088 10.559 3.584 1.00 0.00 H new ATOM 0 HB THR A 85 11.042 10.421 1.502 1.00 0.00 H new ATOM 0 HG1 THR A 85 10.729 7.731 1.945 1.00 0.00 H new ATOM 0 HG21 THR A 85 11.333 8.572 -0.107 1.00 0.00 H new ATOM 0 HG22 THR A 85 12.828 9.516 0.088 1.00 0.00 H new ATOM 0 HG23 THR A 85 12.669 7.929 0.877 1.00 0.00 H new ATOM 1281 N PHE A 86 13.129 8.790 4.924 1.00 0.00 N ATOM 1282 CA PHE A 86 13.650 7.713 5.745 1.00 0.00 C ATOM 1283 C PHE A 86 12.594 6.619 5.970 1.00 0.00 C ATOM 1284 O PHE A 86 11.388 6.847 5.797 1.00 0.00 O ATOM 1285 CB PHE A 86 14.093 8.308 7.069 1.00 0.00 C ATOM 1286 CG PHE A 86 14.567 9.732 6.982 1.00 0.00 C ATOM 1287 CD1 PHE A 86 15.799 10.033 6.396 1.00 0.00 C ATOM 1288 CD2 PHE A 86 13.735 10.752 7.443 1.00 0.00 C ATOM 1289 CE1 PHE A 86 16.218 11.368 6.300 1.00 0.00 C ATOM 1290 CE2 PHE A 86 14.172 12.080 7.388 1.00 0.00 C ATOM 1291 CZ PHE A 86 15.406 12.388 6.801 1.00 0.00 C ATOM 0 H PHE A 86 12.753 9.575 5.456 1.00 0.00 H new ATOM 0 HA PHE A 86 14.492 7.241 5.239 1.00 0.00 H new ATOM 0 HB2 PHE A 86 13.262 8.257 7.773 1.00 0.00 H new ATOM 0 HB3 PHE A 86 14.896 7.695 7.479 1.00 0.00 H new ATOM 0 HD1 PHE A 86 16.427 9.240 6.018 1.00 0.00 H new ATOM 0 HD2 PHE A 86 12.758 10.518 7.840 1.00 0.00 H new ATOM 0 HE1 PHE A 86 17.166 11.607 5.840 1.00 0.00 H new ATOM 0 HE2 PHE A 86 13.558 12.868 7.798 1.00 0.00 H new ATOM 0 HZ PHE A 86 15.730 13.416 6.736 1.00 0.00 H new ATOM 1301 N PRO A 87 13.044 5.416 6.367 1.00 0.00 N ATOM 1302 CA PRO A 87 12.147 4.311 6.620 1.00 0.00 C ATOM 1303 C PRO A 87 11.425 4.440 7.924 1.00 0.00 C ATOM 1304 O PRO A 87 10.234 4.127 7.950 1.00 0.00 O ATOM 1305 CB PRO A 87 12.999 3.060 6.680 1.00 0.00 C ATOM 1306 CG PRO A 87 14.442 3.542 6.849 1.00 0.00 C ATOM 1307 CD PRO A 87 14.429 5.047 6.601 1.00 0.00 C ATOM 0 HA PRO A 87 11.396 4.284 5.831 1.00 0.00 H new ATOM 0 HB2 PRO A 87 12.700 2.423 7.513 1.00 0.00 H new ATOM 0 HB3 PRO A 87 12.889 2.469 5.771 1.00 0.00 H new ATOM 0 HG2 PRO A 87 14.811 3.317 7.850 1.00 0.00 H new ATOM 0 HG3 PRO A 87 15.104 3.039 6.144 1.00 0.00 H new ATOM 0 HD2 PRO A 87 14.834 5.585 7.458 1.00 0.00 H new ATOM 0 HD3 PRO A 87 15.049 5.304 5.742 1.00 0.00 H new ATOM 1315 N ASP A 88 12.129 4.880 8.980 1.00 0.00 N ATOM 1316 CA ASP A 88 11.561 5.162 10.305 1.00 0.00 C ATOM 1317 C ASP A 88 10.196 5.832 10.193 1.00 0.00 C ATOM 1318 O ASP A 88 9.307 5.615 11.011 1.00 0.00 O ATOM 1319 CB ASP A 88 12.479 6.063 11.148 1.00 0.00 C ATOM 1320 CG ASP A 88 13.159 7.101 10.288 1.00 0.00 C ATOM 1321 OD1 ASP A 88 12.396 7.944 9.781 1.00 0.00 O ATOM 1322 OD2 ASP A 88 14.399 7.061 10.168 1.00 0.00 O ATOM 0 H ASP A 88 13.133 5.053 8.933 1.00 0.00 H new ATOM 0 HA ASP A 88 11.459 4.196 10.800 1.00 0.00 H new ATOM 0 HB2 ASP A 88 11.896 6.556 11.926 1.00 0.00 H new ATOM 0 HB3 ASP A 88 13.230 5.454 11.651 1.00 0.00 H new ATOM 1327 N GLY A 89 10.008 6.609 9.130 1.00 0.00 N ATOM 1328 CA GLY A 89 8.797 7.310 8.837 1.00 0.00 C ATOM 1329 C GLY A 89 8.800 8.705 9.415 1.00 0.00 C ATOM 1330 O GLY A 89 7.903 9.488 9.092 1.00 0.00 O ATOM 0 H GLY A 89 10.735 6.763 8.431 1.00 0.00 H new ATOM 0 HA2 GLY A 89 8.662 7.365 7.757 1.00 0.00 H new ATOM 0 HA3 GLY A 89 7.949 6.753 9.237 1.00 0.00 H new ATOM 1334 N HIS A 90 9.793 9.001 10.260 1.00 0.00 N ATOM 1335 CA HIS A 90 9.955 10.308 10.847 1.00 0.00 C ATOM 1336 C HIS A 90 10.084 11.341 9.735 1.00 0.00 C ATOM 1337 O HIS A 90 10.668 11.110 8.678 1.00 0.00 O ATOM 1338 CB HIS A 90 11.111 10.302 11.873 1.00 0.00 C ATOM 1339 CG HIS A 90 12.533 10.429 11.360 1.00 0.00 C ATOM 1340 ND1 HIS A 90 13.575 9.610 11.741 1.00 0.00 N ATOM 1341 CD2 HIS A 90 13.027 11.311 10.442 1.00 0.00 C ATOM 1342 CE1 HIS A 90 14.654 9.931 11.009 1.00 0.00 C ATOM 1343 NE2 HIS A 90 14.344 10.971 10.224 1.00 0.00 N ATOM 0 H HIS A 90 10.503 8.328 10.549 1.00 0.00 H new ATOM 0 HA HIS A 90 9.075 10.592 11.425 1.00 0.00 H new ATOM 0 HB2 HIS A 90 10.937 11.119 12.574 1.00 0.00 H new ATOM 0 HB3 HIS A 90 11.045 9.374 12.442 1.00 0.00 H new ATOM 0 HD2 HIS A 90 12.487 12.122 9.975 1.00 0.00 H new ATOM 0 HE1 HIS A 90 15.612 9.434 11.047 1.00 0.00 H new ATOM 0 HE2 HIS A 90 14.978 11.434 9.573 1.00 0.00 H new ATOM 1352 N ASP A 91 9.524 12.510 9.968 1.00 0.00 N ATOM 1353 CA ASP A 91 9.665 13.613 9.048 1.00 0.00 C ATOM 1354 C ASP A 91 10.916 14.388 9.417 1.00 0.00 C ATOM 1355 O ASP A 91 11.086 14.772 10.570 1.00 0.00 O ATOM 1356 CB ASP A 91 8.412 14.463 9.168 1.00 0.00 C ATOM 1357 CG ASP A 91 8.475 15.704 8.329 1.00 0.00 C ATOM 1358 OD1 ASP A 91 9.182 16.646 8.740 1.00 0.00 O ATOM 1359 OD2 ASP A 91 7.819 15.695 7.295 1.00 0.00 O ATOM 0 H ASP A 91 8.963 12.719 10.794 1.00 0.00 H new ATOM 0 HA ASP A 91 9.771 13.283 8.014 1.00 0.00 H new ATOM 0 HB2 ASP A 91 7.546 13.871 8.871 1.00 0.00 H new ATOM 0 HB3 ASP A 91 8.265 14.741 10.212 1.00 0.00 H new ATOM 1364 N TYR A 92 11.836 14.514 8.458 1.00 0.00 N ATOM 1365 CA TYR A 92 13.046 15.299 8.619 1.00 0.00 C ATOM 1366 C TYR A 92 12.798 16.699 9.192 1.00 0.00 C ATOM 1367 O TYR A 92 11.703 17.223 9.217 1.00 0.00 O ATOM 1368 CB TYR A 92 13.692 15.449 7.237 1.00 0.00 C ATOM 1369 CG TYR A 92 15.142 15.871 7.264 1.00 0.00 C ATOM 1370 CD1 TYR A 92 16.042 15.316 8.196 1.00 0.00 C ATOM 1371 CD2 TYR A 92 15.587 16.806 6.318 1.00 0.00 C ATOM 1372 CE1 TYR A 92 17.407 15.683 8.156 1.00 0.00 C ATOM 1373 CE2 TYR A 92 16.940 17.165 6.289 1.00 0.00 C ATOM 1374 CZ TYR A 92 17.842 16.611 7.189 1.00 0.00 C ATOM 1375 OH TYR A 92 19.139 16.960 6.976 1.00 0.00 O ATOM 0 H TYR A 92 11.755 14.068 7.544 1.00 0.00 H new ATOM 0 HA TYR A 92 13.685 14.775 9.330 1.00 0.00 H new ATOM 0 HB2 TYR A 92 13.613 14.499 6.708 1.00 0.00 H new ATOM 0 HB3 TYR A 92 13.125 16.181 6.663 1.00 0.00 H new ATOM 0 HD1 TYR A 92 15.691 14.614 8.937 1.00 0.00 H new ATOM 0 HD2 TYR A 92 14.892 17.245 5.618 1.00 0.00 H new ATOM 0 HE1 TYR A 92 18.108 15.257 8.858 1.00 0.00 H new ATOM 0 HE2 TYR A 92 17.287 17.881 5.558 1.00 0.00 H new ATOM 0 HH TYR A 92 19.686 16.665 7.734 1.00 0.00 H new ATOM 1385 N LYS A 93 13.859 17.397 9.557 1.00 0.00 N ATOM 1386 CA LYS A 93 13.730 18.709 10.173 1.00 0.00 C ATOM 1387 C LYS A 93 13.978 19.737 9.097 1.00 0.00 C ATOM 1388 O LYS A 93 14.948 20.484 9.135 1.00 0.00 O ATOM 1389 CB LYS A 93 14.589 18.809 11.431 1.00 0.00 C ATOM 1390 CG LYS A 93 15.393 17.531 11.699 1.00 0.00 C ATOM 1391 CD LYS A 93 16.067 17.605 13.062 1.00 0.00 C ATOM 1392 CE LYS A 93 15.664 16.393 13.909 1.00 0.00 C ATOM 1393 NZ LYS A 93 16.665 16.142 14.963 1.00 0.00 N ATOM 0 H LYS A 93 14.821 17.078 9.438 1.00 0.00 H new ATOM 0 HA LYS A 93 12.728 18.899 10.557 1.00 0.00 H new ATOM 0 HB2 LYS A 93 15.274 19.651 11.333 1.00 0.00 H new ATOM 0 HB3 LYS A 93 13.949 19.018 12.288 1.00 0.00 H new ATOM 0 HG2 LYS A 93 14.734 16.664 11.659 1.00 0.00 H new ATOM 0 HG3 LYS A 93 16.145 17.397 10.921 1.00 0.00 H new ATOM 0 HD2 LYS A 93 17.150 17.631 12.941 1.00 0.00 H new ATOM 0 HD3 LYS A 93 15.780 18.526 13.570 1.00 0.00 H new ATOM 0 HE2 LYS A 93 14.687 16.567 14.361 1.00 0.00 H new ATOM 0 HE3 LYS A 93 15.569 15.513 13.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 16.916 15.133 14.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 17.516 16.709 14.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 16.269 16.407 15.888 1.00 0.00 H new ATOM 1407 N PHE A 94 13.149 19.724 8.065 1.00 0.00 N ATOM 1408 CA PHE A 94 13.235 20.690 6.984 1.00 0.00 C ATOM 1409 C PHE A 94 12.566 22.020 7.345 1.00 0.00 C ATOM 1410 O PHE A 94 12.314 22.837 6.473 1.00 0.00 O ATOM 1411 CB PHE A 94 12.611 20.072 5.747 1.00 0.00 C ATOM 1412 CG PHE A 94 11.236 19.520 6.009 1.00 0.00 C ATOM 1413 CD1 PHE A 94 10.140 20.358 6.273 1.00 0.00 C ATOM 1414 CD2 PHE A 94 11.069 18.144 6.003 1.00 0.00 C ATOM 1415 CE1 PHE A 94 8.871 19.808 6.520 1.00 0.00 C ATOM 1416 CE2 PHE A 94 9.798 17.599 6.188 1.00 0.00 C ATOM 1417 CZ PHE A 94 8.701 18.426 6.455 1.00 0.00 C ATOM 0 H PHE A 94 12.398 19.043 7.954 1.00 0.00 H new ATOM 0 HA PHE A 94 14.282 20.926 6.794 1.00 0.00 H new ATOM 0 HB2 PHE A 94 12.553 20.823 4.959 1.00 0.00 H new ATOM 0 HB3 PHE A 94 13.255 19.274 5.379 1.00 0.00 H new ATOM 0 HD1 PHE A 94 10.273 21.430 6.286 1.00 0.00 H new ATOM 0 HD2 PHE A 94 11.920 17.496 5.856 1.00 0.00 H new ATOM 0 HE1 PHE A 94 8.035 20.450 6.758 1.00 0.00 H new ATOM 0 HE2 PHE A 94 9.660 16.530 6.125 1.00 0.00 H new ATOM 0 HZ PHE A 94 7.724 17.994 6.611 1.00 0.00 H new ATOM 1427 N ASP A 95 12.281 22.251 8.620 1.00 0.00 N ATOM 1428 CA ASP A 95 11.637 23.475 9.089 1.00 0.00 C ATOM 1429 C ASP A 95 12.642 24.334 9.851 1.00 0.00 C ATOM 1430 O ASP A 95 12.659 25.557 9.734 1.00 0.00 O ATOM 1431 CB ASP A 95 10.472 23.095 10.005 1.00 0.00 C ATOM 1432 CG ASP A 95 9.641 24.312 10.414 1.00 0.00 C ATOM 1433 OD1 ASP A 95 10.081 25.006 11.356 1.00 0.00 O ATOM 1434 OD2 ASP A 95 8.583 24.522 9.786 1.00 0.00 O ATOM 0 H ASP A 95 12.492 21.589 9.366 1.00 0.00 H new ATOM 0 HA ASP A 95 11.267 24.048 8.239 1.00 0.00 H new ATOM 0 HB2 ASP A 95 9.832 22.374 9.497 1.00 0.00 H new ATOM 0 HB3 ASP A 95 10.859 22.604 10.898 1.00 0.00 H new ATOM 1439 N SER A 96 13.598 23.676 10.514 1.00 0.00 N ATOM 1440 CA SER A 96 14.623 24.340 11.293 1.00 0.00 C ATOM 1441 C SER A 96 15.968 24.112 10.652 1.00 0.00 C ATOM 1442 O SER A 96 16.449 22.984 10.562 1.00 0.00 O ATOM 1443 CB SER A 96 14.624 23.843 12.739 1.00 0.00 C ATOM 1444 OG SER A 96 13.756 24.642 13.515 1.00 0.00 O ATOM 0 H SER A 96 13.674 22.659 10.519 1.00 0.00 H new ATOM 0 HA SER A 96 14.411 25.409 11.313 1.00 0.00 H new ATOM 0 HB2 SER A 96 14.306 22.801 12.776 1.00 0.00 H new ATOM 0 HB3 SER A 96 15.634 23.883 13.147 1.00 0.00 H new ATOM 0 HG SER A 96 13.756 24.321 14.441 1.00 0.00 H new ATOM 1450 N LYS A 97 16.592 25.198 10.193 1.00 0.00 N ATOM 1451 CA LYS A 97 17.920 25.122 9.595 1.00 0.00 C ATOM 1452 C LYS A 97 18.921 24.532 10.566 1.00 0.00 C ATOM 1453 O LYS A 97 19.770 23.729 10.188 1.00 0.00 O ATOM 1454 CB LYS A 97 18.336 26.499 9.062 1.00 0.00 C ATOM 1455 CG LYS A 97 19.047 27.347 10.125 1.00 0.00 C ATOM 1456 CD LYS A 97 19.404 28.733 9.615 1.00 0.00 C ATOM 1457 CE LYS A 97 20.727 29.205 10.229 1.00 0.00 C ATOM 1458 NZ LYS A 97 20.512 29.779 11.578 1.00 0.00 N ATOM 0 H LYS A 97 16.197 26.138 10.225 1.00 0.00 H new ATOM 0 HA LYS A 97 17.894 24.443 8.742 1.00 0.00 H new ATOM 0 HB2 LYS A 97 18.995 26.369 8.204 1.00 0.00 H new ATOM 0 HB3 LYS A 97 17.453 27.031 8.708 1.00 0.00 H new ATOM 0 HG2 LYS A 97 18.406 27.439 11.001 1.00 0.00 H new ATOM 0 HG3 LYS A 97 19.955 26.836 10.447 1.00 0.00 H new ATOM 0 HD2 LYS A 97 19.485 28.718 8.528 1.00 0.00 H new ATOM 0 HD3 LYS A 97 18.609 29.435 9.865 1.00 0.00 H new ATOM 0 HE2 LYS A 97 21.422 28.367 10.293 1.00 0.00 H new ATOM 0 HE3 LYS A 97 21.187 29.952 9.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 21.423 30.091 11.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 19.867 30.592 11.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 20.095 29.057 12.200 1.00 0.00 H new ATOM 1472 N LYS A 98 18.873 25.014 11.814 1.00 0.00 N ATOM 1473 CA LYS A 98 19.762 24.581 12.863 1.00 0.00 C ATOM 1474 C LYS A 98 18.998 24.500 14.200 1.00 0.00 C ATOM 1475 O LYS A 98 18.319 25.466 14.546 1.00 0.00 O ATOM 1476 CB LYS A 98 21.025 25.445 12.927 1.00 0.00 C ATOM 1477 CG LYS A 98 22.226 24.606 13.400 1.00 0.00 C ATOM 1478 CD LYS A 98 23.502 25.443 13.438 1.00 0.00 C ATOM 1479 CE LYS A 98 24.099 25.589 12.034 1.00 0.00 C ATOM 1480 NZ LYS A 98 24.836 26.865 11.910 1.00 0.00 N ATOM 0 H LYS A 98 18.203 25.723 12.112 1.00 0.00 H new ATOM 0 HA LYS A 98 20.118 23.576 12.639 1.00 0.00 H new ATOM 0 HB2 LYS A 98 21.234 25.869 11.945 1.00 0.00 H new ATOM 0 HB3 LYS A 98 20.867 26.281 13.608 1.00 0.00 H new ATOM 0 HG2 LYS A 98 22.023 24.202 14.392 1.00 0.00 H new ATOM 0 HG3 LYS A 98 22.365 23.756 12.732 1.00 0.00 H new ATOM 0 HD2 LYS A 98 23.284 26.428 13.850 1.00 0.00 H new ATOM 0 HD3 LYS A 98 24.230 24.975 14.101 1.00 0.00 H new ATOM 0 HE2 LYS A 98 24.770 24.754 11.830 1.00 0.00 H new ATOM 0 HE3 LYS A 98 23.304 25.548 11.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 25.233 26.945 10.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 24.187 27.659 12.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 25.607 26.890 12.607 1.00 0.00 H new ATOM 1494 N PRO A 99 19.157 23.374 14.923 1.00 0.00 N ATOM 1495 CA PRO A 99 19.925 22.231 14.451 1.00 0.00 C ATOM 1496 C PRO A 99 19.231 21.502 13.309 1.00 0.00 C ATOM 1497 O PRO A 99 18.130 21.856 12.910 1.00 0.00 O ATOM 1498 CB PRO A 99 20.208 21.361 15.652 1.00 0.00 C ATOM 1499 CG PRO A 99 19.137 21.757 16.671 1.00 0.00 C ATOM 1500 CD PRO A 99 18.515 23.078 16.193 1.00 0.00 C ATOM 0 HA PRO A 99 20.870 22.551 14.012 1.00 0.00 H new ATOM 0 HB2 PRO A 99 20.144 20.303 15.400 1.00 0.00 H new ATOM 0 HB3 PRO A 99 21.211 21.536 16.042 1.00 0.00 H new ATOM 0 HG2 PRO A 99 18.376 20.981 16.749 1.00 0.00 H new ATOM 0 HG3 PRO A 99 19.575 21.875 17.662 1.00 0.00 H new ATOM 0 HD2 PRO A 99 17.436 22.983 16.074 1.00 0.00 H new ATOM 0 HD3 PRO A 99 18.687 23.876 16.915 1.00 0.00 H new ATOM 1508 N LYS A 100 19.905 20.504 12.754 1.00 0.00 N ATOM 1509 CA LYS A 100 19.352 19.684 11.684 1.00 0.00 C ATOM 1510 C LYS A 100 19.842 18.251 11.827 1.00 0.00 C ATOM 1511 O LYS A 100 20.944 18.013 12.315 1.00 0.00 O ATOM 1512 CB LYS A 100 19.691 20.330 10.333 1.00 0.00 C ATOM 1513 CG LYS A 100 21.070 19.927 9.773 1.00 0.00 C ATOM 1514 CD LYS A 100 20.899 18.964 8.606 1.00 0.00 C ATOM 1515 CE LYS A 100 21.170 19.665 7.282 1.00 0.00 C ATOM 1516 NZ LYS A 100 21.381 18.677 6.207 1.00 0.00 N ATOM 0 H LYS A 100 20.850 20.240 13.032 1.00 0.00 H new ATOM 0 HA LYS A 100 18.265 19.635 11.745 1.00 0.00 H new ATOM 0 HB2 LYS A 100 18.923 20.058 9.609 1.00 0.00 H new ATOM 0 HB3 LYS A 100 19.657 21.414 10.442 1.00 0.00 H new ATOM 0 HG2 LYS A 100 21.612 20.814 9.446 1.00 0.00 H new ATOM 0 HG3 LYS A 100 21.667 19.459 10.556 1.00 0.00 H new ATOM 0 HD2 LYS A 100 21.580 18.121 8.722 1.00 0.00 H new ATOM 0 HD3 LYS A 100 19.887 18.559 8.608 1.00 0.00 H new ATOM 0 HE2 LYS A 100 20.331 20.313 7.029 1.00 0.00 H new ATOM 0 HE3 LYS A 100 22.049 20.303 7.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 21.311 19.149 5.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 22.324 18.251 6.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 20.656 17.934 6.272 1.00 0.00 H new ATOM 1530 N GLU A 101 19.011 17.300 11.433 1.00 0.00 N ATOM 1531 CA GLU A 101 19.390 15.893 11.524 1.00 0.00 C ATOM 1532 C GLU A 101 20.193 15.456 10.303 1.00 0.00 C ATOM 1533 O GLU A 101 20.368 16.215 9.348 1.00 0.00 O ATOM 1534 CB GLU A 101 18.141 15.023 11.715 1.00 0.00 C ATOM 1535 CG GLU A 101 18.413 13.931 12.743 1.00 0.00 C ATOM 1536 CD GLU A 101 17.110 13.251 13.139 1.00 0.00 C ATOM 1537 OE1 GLU A 101 16.386 12.802 12.222 1.00 0.00 O ATOM 1538 OE2 GLU A 101 16.800 13.367 14.344 1.00 0.00 O ATOM 0 H GLU A 101 18.080 17.469 11.051 1.00 0.00 H new ATOM 0 HA GLU A 101 20.035 15.763 12.393 1.00 0.00 H new ATOM 0 HB2 GLU A 101 17.305 15.641 12.043 1.00 0.00 H new ATOM 0 HB3 GLU A 101 17.853 14.574 10.764 1.00 0.00 H new ATOM 0 HG2 GLU A 101 19.105 13.197 12.331 1.00 0.00 H new ATOM 0 HG3 GLU A 101 18.891 14.360 13.624 1.00 0.00 H new ATOM 1545 N ASN A 102 20.671 14.220 10.301 1.00 0.00 N ATOM 1546 CA ASN A 102 21.358 13.692 9.134 1.00 0.00 C ATOM 1547 C ASN A 102 20.368 13.388 7.988 1.00 0.00 C ATOM 1548 O ASN A 102 19.245 12.961 8.246 1.00 0.00 O ATOM 1549 CB ASN A 102 22.133 12.442 9.543 1.00 0.00 C ATOM 1550 CG ASN A 102 22.889 11.834 8.375 1.00 0.00 C ATOM 1551 OD1 ASN A 102 22.402 11.045 7.602 1.00 0.00 O ATOM 1552 ND2 ASN A 102 24.101 12.266 8.156 1.00 0.00 N ATOM 0 H ASN A 102 20.597 13.572 11.085 1.00 0.00 H new ATOM 0 HA ASN A 102 22.054 14.441 8.756 1.00 0.00 H new ATOM 0 HB2 ASN A 102 22.835 12.695 10.337 1.00 0.00 H new ATOM 0 HB3 ASN A 102 21.442 11.704 9.951 1.00 0.00 H new ATOM 0 HD21 ASN A 102 24.621 11.937 7.342 1.00 0.00 H new ATOM 0 HD22 ASN A 102 24.529 12.933 8.798 1.00 0.00 H new ATOM 1559 N PRO A 103 20.760 13.680 6.729 1.00 0.00 N ATOM 1560 CA PRO A 103 19.956 13.350 5.566 1.00 0.00 C ATOM 1561 C PRO A 103 19.893 11.847 5.278 1.00 0.00 C ATOM 1562 O PRO A 103 20.126 11.002 6.126 1.00 0.00 O ATOM 1563 CB PRO A 103 20.556 14.181 4.426 1.00 0.00 C ATOM 1564 CG PRO A 103 21.976 14.549 4.861 1.00 0.00 C ATOM 1565 CD PRO A 103 22.040 14.267 6.351 1.00 0.00 C ATOM 0 HA PRO A 103 18.905 13.596 5.718 1.00 0.00 H new ATOM 0 HB2 PRO A 103 20.570 13.612 3.496 1.00 0.00 H new ATOM 0 HB3 PRO A 103 19.961 15.076 4.243 1.00 0.00 H new ATOM 0 HG2 PRO A 103 22.716 13.959 4.320 1.00 0.00 H new ATOM 0 HG3 PRO A 103 22.189 15.597 4.652 1.00 0.00 H new ATOM 0 HD2 PRO A 103 22.859 13.585 6.580 1.00 0.00 H new ATOM 0 HD3 PRO A 103 22.223 15.185 6.910 1.00 0.00 H new ATOM 1573 N GLY A 104 19.507 11.500 4.057 1.00 0.00 N ATOM 1574 CA GLY A 104 19.479 10.111 3.637 1.00 0.00 C ATOM 1575 C GLY A 104 20.020 9.941 2.223 1.00 0.00 C ATOM 1576 O GLY A 104 20.051 10.907 1.451 1.00 0.00 O ATOM 0 H GLY A 104 19.209 12.164 3.342 1.00 0.00 H new ATOM 0 HA2 GLY A 104 20.070 9.510 4.328 1.00 0.00 H new ATOM 0 HA3 GLY A 104 18.456 9.737 3.683 1.00 0.00 H new ATOM 1580 N PRO A 105 20.467 8.717 1.892 1.00 0.00 N ATOM 1581 CA PRO A 105 20.991 8.415 0.574 1.00 0.00 C ATOM 1582 C PRO A 105 19.880 8.316 -0.453 1.00 0.00 C ATOM 1583 O PRO A 105 20.022 8.794 -1.578 1.00 0.00 O ATOM 1584 CB PRO A 105 21.741 7.094 0.722 1.00 0.00 C ATOM 1585 CG PRO A 105 21.234 6.463 2.022 1.00 0.00 C ATOM 1586 CD PRO A 105 20.472 7.553 2.768 1.00 0.00 C ATOM 0 HA PRO A 105 21.650 9.205 0.215 1.00 0.00 H new ATOM 0 HB2 PRO A 105 21.551 6.440 -0.129 1.00 0.00 H new ATOM 0 HB3 PRO A 105 22.818 7.259 0.763 1.00 0.00 H new ATOM 0 HG2 PRO A 105 20.586 5.612 1.812 1.00 0.00 H new ATOM 0 HG3 PRO A 105 22.065 6.091 2.622 1.00 0.00 H new ATOM 0 HD2 PRO A 105 19.455 7.232 2.995 1.00 0.00 H new ATOM 0 HD3 PRO A 105 20.953 7.783 3.719 1.00 0.00 H new ATOM 1594 N ALA A 106 18.772 7.690 -0.065 1.00 0.00 N ATOM 1595 CA ALA A 106 17.618 7.566 -0.926 1.00 0.00 C ATOM 1596 C ALA A 106 16.688 8.742 -0.719 1.00 0.00 C ATOM 1597 O ALA A 106 16.432 9.161 0.415 1.00 0.00 O ATOM 1598 CB ALA A 106 16.931 6.257 -0.637 1.00 0.00 C ATOM 0 H ALA A 106 18.657 7.259 0.852 1.00 0.00 H new ATOM 0 HA ALA A 106 17.926 7.573 -1.972 1.00 0.00 H new ATOM 0 HB1 ALA A 106 16.058 6.154 -1.282 1.00 0.00 H new ATOM 0 HB2 ALA A 106 17.621 5.435 -0.826 1.00 0.00 H new ATOM 0 HB3 ALA A 106 16.616 6.234 0.406 1.00 0.00 H new ATOM 1604 N ARG A 107 16.162 9.253 -1.828 1.00 0.00 N ATOM 1605 CA ARG A 107 15.215 10.350 -1.809 1.00 0.00 C ATOM 1606 C ARG A 107 14.111 10.142 -2.809 1.00 0.00 C ATOM 1607 O ARG A 107 14.360 9.493 -3.803 1.00 0.00 O ATOM 1608 CB ARG A 107 15.966 11.640 -2.125 1.00 0.00 C ATOM 1609 CG ARG A 107 17.062 11.879 -1.087 1.00 0.00 C ATOM 1610 CD ARG A 107 17.253 13.357 -0.795 1.00 0.00 C ATOM 1611 NE ARG A 107 18.671 13.689 -0.882 1.00 0.00 N ATOM 1612 CZ ARG A 107 19.415 13.588 -1.965 1.00 0.00 C ATOM 1613 NH1 ARG A 107 18.925 13.112 -3.072 1.00 0.00 N ATOM 1614 NH2 ARG A 107 20.638 14.022 -1.963 1.00 0.00 N ATOM 0 H ARG A 107 16.384 8.914 -2.764 1.00 0.00 H new ATOM 0 HA ARG A 107 14.756 10.405 -0.822 1.00 0.00 H new ATOM 0 HB2 ARG A 107 16.405 11.580 -3.121 1.00 0.00 H new ATOM 0 HB3 ARG A 107 15.272 12.481 -2.133 1.00 0.00 H new ATOM 0 HG2 ARG A 107 16.808 11.357 -0.165 1.00 0.00 H new ATOM 0 HG3 ARG A 107 18.000 11.456 -1.446 1.00 0.00 H new ATOM 0 HD2 ARG A 107 16.684 13.956 -1.506 1.00 0.00 H new ATOM 0 HD3 ARG A 107 16.873 13.595 0.199 1.00 0.00 H new ATOM 0 HE ARG A 107 19.125 14.028 -0.033 1.00 0.00 H new ATOM 0 HH11 ARG A 107 17.951 12.810 -3.111 1.00 0.00 H new ATOM 0 HH12 ARG A 107 19.514 13.041 -3.901 1.00 0.00 H new ATOM 0 HH21 ARG A 107 21.028 14.444 -1.120 1.00 0.00 H new ATOM 0 HH22 ARG A 107 21.209 13.941 -2.804 1.00 0.00 H new ATOM 1628 N VAL A 108 12.928 10.685 -2.560 1.00 0.00 N ATOM 1629 CA VAL A 108 11.785 10.608 -3.471 1.00 0.00 C ATOM 1630 C VAL A 108 11.885 11.674 -4.542 1.00 0.00 C ATOM 1631 O VAL A 108 11.972 12.854 -4.233 1.00 0.00 O ATOM 1632 CB VAL A 108 10.481 10.724 -2.677 1.00 0.00 C ATOM 1633 CG1 VAL A 108 10.479 11.945 -1.759 1.00 0.00 C ATOM 1634 CG2 VAL A 108 9.266 10.729 -3.610 1.00 0.00 C ATOM 0 H VAL A 108 12.728 11.202 -1.704 1.00 0.00 H new ATOM 0 HA VAL A 108 11.790 9.641 -3.975 1.00 0.00 H new ATOM 0 HB VAL A 108 10.412 9.843 -2.039 1.00 0.00 H new ATOM 0 HG11 VAL A 108 9.536 11.989 -1.214 1.00 0.00 H new ATOM 0 HG12 VAL A 108 11.304 11.869 -1.050 1.00 0.00 H new ATOM 0 HG13 VAL A 108 10.596 12.849 -2.356 1.00 0.00 H new ATOM 0 HG21 VAL A 108 8.354 10.812 -3.019 1.00 0.00 H new ATOM 0 HG22 VAL A 108 9.335 11.576 -4.293 1.00 0.00 H new ATOM 0 HG23 VAL A 108 9.244 9.802 -4.183 1.00 0.00 H new ATOM 1644 N ILE A 109 11.922 11.259 -5.800 1.00 0.00 N ATOM 1645 CA ILE A 109 12.086 12.167 -6.922 1.00 0.00 C ATOM 1646 C ILE A 109 10.760 12.239 -7.638 1.00 0.00 C ATOM 1647 O ILE A 109 10.221 11.227 -8.099 1.00 0.00 O ATOM 1648 CB ILE A 109 13.244 11.719 -7.821 1.00 0.00 C ATOM 1649 CG1 ILE A 109 14.600 12.151 -7.236 1.00 0.00 C ATOM 1650 CG2 ILE A 109 13.080 12.307 -9.217 1.00 0.00 C ATOM 1651 CD1 ILE A 109 14.818 11.545 -5.855 1.00 0.00 C ATOM 0 H ILE A 109 11.839 10.279 -6.070 1.00 0.00 H new ATOM 0 HA ILE A 109 12.358 13.169 -6.589 1.00 0.00 H new ATOM 0 HB ILE A 109 13.223 10.631 -7.878 1.00 0.00 H new ATOM 0 HG12 ILE A 109 15.404 11.841 -7.904 1.00 0.00 H new ATOM 0 HG13 ILE A 109 14.642 13.238 -7.171 1.00 0.00 H new ATOM 0 HG21 ILE A 109 13.908 11.983 -9.848 1.00 0.00 H new ATOM 0 HG22 ILE A 109 12.139 11.964 -9.648 1.00 0.00 H new ATOM 0 HG23 ILE A 109 13.076 13.395 -9.155 1.00 0.00 H new ATOM 0 HD11 ILE A 109 15.784 11.867 -5.465 1.00 0.00 H new ATOM 0 HD12 ILE A 109 14.026 11.877 -5.183 1.00 0.00 H new ATOM 0 HD13 ILE A 109 14.800 10.458 -5.928 1.00 0.00 H new ATOM 1663 N TYR A 110 10.222 13.449 -7.707 1.00 0.00 N ATOM 1664 CA TYR A 110 8.945 13.696 -8.335 1.00 0.00 C ATOM 1665 C TYR A 110 8.987 15.003 -9.111 1.00 0.00 C ATOM 1666 O TYR A 110 9.740 15.933 -8.811 1.00 0.00 O ATOM 1667 CB TYR A 110 7.890 13.741 -7.228 1.00 0.00 C ATOM 1668 CG TYR A 110 8.067 14.930 -6.285 1.00 0.00 C ATOM 1669 CD1 TYR A 110 7.833 16.239 -6.739 1.00 0.00 C ATOM 1670 CD2 TYR A 110 8.458 14.741 -4.951 1.00 0.00 C ATOM 1671 CE1 TYR A 110 7.954 17.360 -5.906 1.00 0.00 C ATOM 1672 CE2 TYR A 110 8.550 15.858 -4.086 1.00 0.00 C ATOM 1673 CZ TYR A 110 8.244 17.148 -4.561 1.00 0.00 C ATOM 1674 OH TYR A 110 8.189 18.204 -3.717 1.00 0.00 O ATOM 0 H TYR A 110 10.665 14.285 -7.326 1.00 0.00 H new ATOM 0 HA TYR A 110 8.701 12.907 -9.047 1.00 0.00 H new ATOM 0 HB2 TYR A 110 6.899 13.786 -7.679 1.00 0.00 H new ATOM 0 HB3 TYR A 110 7.936 12.817 -6.652 1.00 0.00 H new ATOM 0 HD1 TYR A 110 7.549 16.387 -7.770 1.00 0.00 H new ATOM 0 HD2 TYR A 110 8.687 13.751 -4.587 1.00 0.00 H new ATOM 0 HE1 TYR A 110 7.826 18.359 -6.296 1.00 0.00 H new ATOM 0 HE2 TYR A 110 8.856 15.720 -3.059 1.00 0.00 H new ATOM 0 HH TYR A 110 8.816 18.064 -2.977 1.00 0.00 H new ATOM 1684 N THR A 111 8.162 15.069 -10.140 1.00 0.00 N ATOM 1685 CA THR A 111 8.096 16.253 -10.984 1.00 0.00 C ATOM 1686 C THR A 111 7.167 17.275 -10.362 1.00 0.00 C ATOM 1687 O THR A 111 6.338 16.929 -9.527 1.00 0.00 O ATOM 1688 CB THR A 111 7.642 15.844 -12.384 1.00 0.00 C ATOM 1689 OG1 THR A 111 6.245 15.745 -12.420 1.00 0.00 O ATOM 1690 CG2 THR A 111 8.135 14.456 -12.774 1.00 0.00 C ATOM 0 H THR A 111 7.528 14.318 -10.413 1.00 0.00 H new ATOM 0 HA THR A 111 9.080 16.715 -11.068 1.00 0.00 H new ATOM 0 HB THR A 111 8.042 16.602 -13.058 1.00 0.00 H new ATOM 0 HG1 THR A 111 5.959 15.484 -13.320 1.00 0.00 H new ATOM 0 HG21 THR A 111 7.785 14.214 -13.777 1.00 0.00 H new ATOM 0 HG22 THR A 111 9.225 14.439 -12.756 1.00 0.00 H new ATOM 0 HG23 THR A 111 7.749 13.721 -12.068 1.00 0.00 H new ATOM 1698 N TYR A 112 7.287 18.527 -10.773 1.00 0.00 N ATOM 1699 CA TYR A 112 6.442 19.578 -10.251 1.00 0.00 C ATOM 1700 C TYR A 112 5.498 20.122 -11.346 1.00 0.00 C ATOM 1701 O TYR A 112 5.855 20.142 -12.525 1.00 0.00 O ATOM 1702 CB TYR A 112 7.350 20.642 -9.625 1.00 0.00 C ATOM 1703 CG TYR A 112 6.708 22.008 -9.408 1.00 0.00 C ATOM 1704 CD1 TYR A 112 6.271 22.788 -10.485 1.00 0.00 C ATOM 1705 CD2 TYR A 112 6.493 22.485 -8.118 1.00 0.00 C ATOM 1706 CE1 TYR A 112 5.651 24.033 -10.299 1.00 0.00 C ATOM 1707 CE2 TYR A 112 5.870 23.744 -7.912 1.00 0.00 C ATOM 1708 CZ TYR A 112 5.458 24.511 -9.005 1.00 0.00 C ATOM 1709 OH TYR A 112 4.858 25.706 -8.798 1.00 0.00 O ATOM 0 H TYR A 112 7.965 18.837 -11.469 1.00 0.00 H new ATOM 0 HA TYR A 112 5.777 19.202 -9.473 1.00 0.00 H new ATOM 0 HB2 TYR A 112 7.706 20.271 -8.664 1.00 0.00 H new ATOM 0 HB3 TYR A 112 8.225 20.768 -10.262 1.00 0.00 H new ATOM 0 HD1 TYR A 112 6.415 22.420 -11.490 1.00 0.00 H new ATOM 0 HD2 TYR A 112 6.802 21.894 -7.269 1.00 0.00 H new ATOM 0 HE1 TYR A 112 5.327 24.614 -11.150 1.00 0.00 H new ATOM 0 HE2 TYR A 112 5.714 24.110 -6.908 1.00 0.00 H new ATOM 0 HH TYR A 112 4.804 25.883 -7.836 1.00 0.00 H new ATOM 1719 N PRO A 113 4.327 20.653 -10.940 1.00 0.00 N ATOM 1720 CA PRO A 113 3.877 20.639 -9.558 1.00 0.00 C ATOM 1721 C PRO A 113 3.419 19.270 -9.155 1.00 0.00 C ATOM 1722 O PRO A 113 3.820 18.795 -8.090 1.00 0.00 O ATOM 1723 CB PRO A 113 2.777 21.665 -9.423 1.00 0.00 C ATOM 1724 CG PRO A 113 2.322 21.943 -10.858 1.00 0.00 C ATOM 1725 CD PRO A 113 3.396 21.365 -11.793 1.00 0.00 C ATOM 0 HA PRO A 113 4.697 20.893 -8.887 1.00 0.00 H new ATOM 0 HB2 PRO A 113 1.956 21.287 -8.814 1.00 0.00 H new ATOM 0 HB3 PRO A 113 3.140 22.573 -8.940 1.00 0.00 H new ATOM 0 HG2 PRO A 113 1.354 21.481 -11.051 1.00 0.00 H new ATOM 0 HG3 PRO A 113 2.203 23.014 -11.024 1.00 0.00 H new ATOM 0 HD2 PRO A 113 2.952 20.696 -12.530 1.00 0.00 H new ATOM 0 HD3 PRO A 113 3.901 22.158 -12.345 1.00 0.00 H new ATOM 1733 N ASN A 114 2.552 18.678 -9.980 1.00 0.00 N ATOM 1734 CA ASN A 114 2.017 17.345 -9.779 1.00 0.00 C ATOM 1735 C ASN A 114 3.145 16.423 -9.376 1.00 0.00 C ATOM 1736 O ASN A 114 3.967 16.115 -10.231 1.00 0.00 O ATOM 1737 CB ASN A 114 1.400 16.799 -11.077 1.00 0.00 C ATOM 1738 CG ASN A 114 0.466 15.645 -10.776 1.00 0.00 C ATOM 1739 OD1 ASN A 114 0.602 14.921 -9.804 1.00 0.00 O ATOM 1740 ND2 ASN A 114 -0.531 15.494 -11.606 1.00 0.00 N ATOM 0 H ASN A 114 2.199 19.130 -10.824 1.00 0.00 H new ATOM 0 HA ASN A 114 1.248 17.395 -9.008 1.00 0.00 H new ATOM 0 HB2 ASN A 114 0.855 17.592 -11.589 1.00 0.00 H new ATOM 0 HB3 ASN A 114 2.190 16.469 -11.751 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -1.219 14.757 -11.449 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -0.622 16.113 -12.412 1.00 0.00 H new ATOM 1747 N LYS A 115 3.199 16.029 -8.103 1.00 0.00 N ATOM 1748 CA LYS A 115 4.233 15.165 -7.555 1.00 0.00 C ATOM 1749 C LYS A 115 4.083 13.783 -8.155 1.00 0.00 C ATOM 1750 O LYS A 115 3.667 12.854 -7.471 1.00 0.00 O ATOM 1751 CB LYS A 115 4.134 15.146 -6.015 1.00 0.00 C ATOM 1752 CG LYS A 115 5.146 16.097 -5.400 1.00 0.00 C ATOM 1753 CD LYS A 115 4.623 16.917 -4.233 1.00 0.00 C ATOM 1754 CE LYS A 115 4.592 18.398 -4.611 1.00 0.00 C ATOM 1755 NZ LYS A 115 3.220 18.832 -4.927 1.00 0.00 N ATOM 0 H LYS A 115 2.505 16.312 -7.411 1.00 0.00 H new ATOM 0 HA LYS A 115 5.224 15.540 -7.810 1.00 0.00 H new ATOM 0 HB2 LYS A 115 3.128 15.429 -5.707 1.00 0.00 H new ATOM 0 HB3 LYS A 115 4.307 14.135 -5.647 1.00 0.00 H new ATOM 0 HG2 LYS A 115 6.007 15.520 -5.063 1.00 0.00 H new ATOM 0 HG3 LYS A 115 5.501 16.778 -6.174 1.00 0.00 H new ATOM 0 HD2 LYS A 115 3.622 16.581 -3.961 1.00 0.00 H new ATOM 0 HD3 LYS A 115 5.258 16.769 -3.359 1.00 0.00 H new ATOM 0 HE2 LYS A 115 4.986 18.995 -3.789 1.00 0.00 H new ATOM 0 HE3 LYS A 115 5.240 18.572 -5.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 3.204 19.275 -5.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 2.585 18.008 -4.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 2.901 19.520 -4.215 1.00 0.00 H new ATOM 1769 N VAL A 116 4.361 13.665 -9.451 1.00 0.00 N ATOM 1770 CA VAL A 116 4.238 12.448 -10.223 1.00 0.00 C ATOM 1771 C VAL A 116 5.403 11.579 -9.791 1.00 0.00 C ATOM 1772 O VAL A 116 6.430 11.519 -10.465 1.00 0.00 O ATOM 1773 CB VAL A 116 4.258 12.755 -11.733 1.00 0.00 C ATOM 1774 CG1 VAL A 116 4.537 11.483 -12.546 1.00 0.00 C ATOM 1775 CG2 VAL A 116 2.928 13.379 -12.182 1.00 0.00 C ATOM 0 H VAL A 116 4.692 14.453 -10.008 1.00 0.00 H new ATOM 0 HA VAL A 116 3.291 11.937 -10.047 1.00 0.00 H new ATOM 0 HB VAL A 116 5.060 13.470 -11.915 1.00 0.00 H new ATOM 0 HG11 VAL A 116 4.546 11.725 -13.609 1.00 0.00 H new ATOM 0 HG12 VAL A 116 5.505 11.073 -12.259 1.00 0.00 H new ATOM 0 HG13 VAL A 116 3.758 10.747 -12.348 1.00 0.00 H new ATOM 0 HG21 VAL A 116 2.966 13.587 -13.251 1.00 0.00 H new ATOM 0 HG22 VAL A 116 2.113 12.685 -11.976 1.00 0.00 H new ATOM 0 HG23 VAL A 116 2.760 14.308 -11.638 1.00 0.00 H new ATOM 1785 N PHE A 117 5.293 11.037 -8.578 1.00 0.00 N ATOM 1786 CA PHE A 117 6.270 10.168 -7.979 1.00 0.00 C ATOM 1787 C PHE A 117 6.843 9.275 -9.071 1.00 0.00 C ATOM 1788 O PHE A 117 6.114 8.518 -9.715 1.00 0.00 O ATOM 1789 CB PHE A 117 5.561 9.357 -6.895 1.00 0.00 C ATOM 1790 CG PHE A 117 6.438 8.301 -6.270 1.00 0.00 C ATOM 1791 CD1 PHE A 117 6.813 7.169 -7.009 1.00 0.00 C ATOM 1792 CD2 PHE A 117 6.888 8.453 -4.953 1.00 0.00 C ATOM 1793 CE1 PHE A 117 7.678 6.232 -6.455 1.00 0.00 C ATOM 1794 CE2 PHE A 117 7.726 7.477 -4.385 1.00 0.00 C ATOM 1795 CZ PHE A 117 8.134 6.378 -5.144 1.00 0.00 C ATOM 0 H PHE A 117 4.488 11.206 -7.975 1.00 0.00 H new ATOM 0 HA PHE A 117 7.093 10.719 -7.524 1.00 0.00 H new ATOM 0 HB2 PHE A 117 5.209 10.034 -6.117 1.00 0.00 H new ATOM 0 HB3 PHE A 117 4.680 8.880 -7.325 1.00 0.00 H new ATOM 0 HD1 PHE A 117 6.430 7.025 -8.008 1.00 0.00 H new ATOM 0 HD2 PHE A 117 6.593 9.317 -4.376 1.00 0.00 H new ATOM 0 HE1 PHE A 117 7.999 5.385 -7.043 1.00 0.00 H new ATOM 0 HE2 PHE A 117 8.054 7.577 -3.361 1.00 0.00 H new ATOM 0 HZ PHE A 117 8.801 5.643 -4.718 1.00 0.00 H new ATOM 1805 N CYS A 118 8.138 9.413 -9.312 1.00 0.00 N ATOM 1806 CA CYS A 118 8.807 8.585 -10.281 1.00 0.00 C ATOM 1807 C CYS A 118 9.490 7.420 -9.578 1.00 0.00 C ATOM 1808 O CYS A 118 9.567 6.312 -10.108 1.00 0.00 O ATOM 1809 CB CYS A 118 9.781 9.448 -11.074 1.00 0.00 C ATOM 1810 SG CYS A 118 9.328 9.451 -12.826 1.00 0.00 S ATOM 0 H CYS A 118 8.739 10.093 -8.846 1.00 0.00 H new ATOM 0 HA CYS A 118 8.094 8.154 -10.984 1.00 0.00 H new ATOM 0 HB2 CYS A 118 9.774 10.467 -10.687 1.00 0.00 H new ATOM 0 HB3 CYS A 118 10.796 9.069 -10.954 1.00 0.00 H new ATOM 1815 N GLY A 119 9.982 7.665 -8.364 1.00 0.00 N ATOM 1816 CA GLY A 119 10.689 6.680 -7.576 1.00 0.00 C ATOM 1817 C GLY A 119 11.772 7.309 -6.739 1.00 0.00 C ATOM 1818 O GLY A 119 11.892 8.530 -6.652 1.00 0.00 O ATOM 0 H GLY A 119 9.894 8.570 -7.901 1.00 0.00 H new ATOM 0 HA2 GLY A 119 9.985 6.159 -6.928 1.00 0.00 H new ATOM 0 HA3 GLY A 119 11.128 5.932 -8.237 1.00 0.00 H new ATOM 1822 N ILE A 120 12.531 6.459 -6.066 1.00 0.00 N ATOM 1823 CA ILE A 120 13.597 6.940 -5.210 1.00 0.00 C ATOM 1824 C ILE A 120 14.904 6.719 -5.924 1.00 0.00 C ATOM 1825 O ILE A 120 15.004 5.786 -6.705 1.00 0.00 O ATOM 1826 CB ILE A 120 13.510 6.271 -3.828 1.00 0.00 C ATOM 1827 CG1 ILE A 120 12.275 6.764 -3.057 1.00 0.00 C ATOM 1828 CG2 ILE A 120 14.753 6.513 -2.971 1.00 0.00 C ATOM 1829 CD1 ILE A 120 11.008 6.095 -3.585 1.00 0.00 C ATOM 0 H ILE A 120 12.429 5.445 -6.096 1.00 0.00 H new ATOM 0 HA ILE A 120 13.508 8.009 -5.016 1.00 0.00 H new ATOM 0 HB ILE A 120 13.433 5.201 -4.019 1.00 0.00 H new ATOM 0 HG12 ILE A 120 12.392 6.546 -1.995 1.00 0.00 H new ATOM 0 HG13 ILE A 120 12.188 7.846 -3.153 1.00 0.00 H new ATOM 0 HG21 ILE A 120 14.633 6.017 -2.008 1.00 0.00 H new ATOM 0 HG22 ILE A 120 15.629 6.111 -3.480 1.00 0.00 H new ATOM 0 HG23 ILE A 120 14.884 7.584 -2.814 1.00 0.00 H new ATOM 0 HD11 ILE A 120 10.145 6.457 -3.026 1.00 0.00 H new ATOM 0 HD12 ILE A 120 10.883 6.335 -4.641 1.00 0.00 H new ATOM 0 HD13 ILE A 120 11.090 5.015 -3.465 1.00 0.00 H new ATOM 1841 N ILE A 121 15.894 7.552 -5.698 1.00 0.00 N ATOM 1842 CA ILE A 121 17.198 7.397 -6.328 1.00 0.00 C ATOM 1843 C ILE A 121 18.240 7.281 -5.242 1.00 0.00 C ATOM 1844 O ILE A 121 18.069 7.853 -4.167 1.00 0.00 O ATOM 1845 CB ILE A 121 17.475 8.554 -7.295 1.00 0.00 C ATOM 1846 CG1 ILE A 121 17.978 9.803 -6.548 1.00 0.00 C ATOM 1847 CG2 ILE A 121 16.216 8.852 -8.143 1.00 0.00 C ATOM 1848 CD1 ILE A 121 18.309 10.951 -7.494 1.00 0.00 C ATOM 0 H ILE A 121 15.825 8.356 -5.075 1.00 0.00 H new ATOM 0 HA ILE A 121 17.226 6.490 -6.931 1.00 0.00 H new ATOM 0 HB ILE A 121 18.274 8.256 -7.974 1.00 0.00 H new ATOM 0 HG12 ILE A 121 17.218 10.129 -5.837 1.00 0.00 H new ATOM 0 HG13 ILE A 121 18.865 9.545 -5.970 1.00 0.00 H new ATOM 0 HG21 ILE A 121 16.424 9.675 -8.826 1.00 0.00 H new ATOM 0 HG22 ILE A 121 15.945 7.965 -8.716 1.00 0.00 H new ATOM 0 HG23 ILE A 121 15.391 9.126 -7.485 1.00 0.00 H new ATOM 0 HD11 ILE A 121 18.659 11.808 -6.918 1.00 0.00 H new ATOM 0 HD12 ILE A 121 19.089 10.637 -8.188 1.00 0.00 H new ATOM 0 HD13 ILE A 121 17.416 11.230 -8.053 1.00 0.00 H new ATOM 1860 N ALA A 122 19.338 6.592 -5.523 1.00 0.00 N ATOM 1861 CA ALA A 122 20.442 6.429 -4.588 1.00 0.00 C ATOM 1862 C ALA A 122 21.570 5.655 -5.262 1.00 0.00 C ATOM 1863 O ALA A 122 21.370 4.645 -5.934 1.00 0.00 O ATOM 1864 CB ALA A 122 19.974 5.719 -3.323 1.00 0.00 C ATOM 0 H ALA A 122 19.488 6.125 -6.417 1.00 0.00 H new ATOM 0 HA ALA A 122 20.814 7.412 -4.298 1.00 0.00 H new ATOM 0 HB1 ALA A 122 20.814 5.607 -2.637 1.00 0.00 H new ATOM 0 HB2 ALA A 122 19.191 6.307 -2.845 1.00 0.00 H new ATOM 0 HB3 ALA A 122 19.583 4.735 -3.582 1.00 0.00 H new ATOM 2011 N LYS A 132 20.732 6.081 -8.900 1.00 0.00 N ATOM 2012 CA LYS A 132 19.899 5.362 -9.856 1.00 0.00 C ATOM 2013 C LYS A 132 18.569 5.086 -9.215 1.00 0.00 C ATOM 2014 O LYS A 132 18.507 5.029 -7.988 1.00 0.00 O ATOM 2015 CB LYS A 132 20.597 4.095 -10.343 1.00 0.00 C ATOM 2016 CG LYS A 132 21.499 3.450 -9.277 1.00 0.00 C ATOM 2017 CD LYS A 132 22.207 2.207 -9.815 1.00 0.00 C ATOM 2018 CE LYS A 132 23.658 2.160 -9.320 1.00 0.00 C ATOM 2019 NZ LYS A 132 24.532 3.003 -10.172 1.00 0.00 N ATOM 0 HA LYS A 132 19.732 5.969 -10.746 1.00 0.00 H new ATOM 0 HB2 LYS A 132 19.845 3.372 -10.658 1.00 0.00 H new ATOM 0 HB3 LYS A 132 21.197 4.334 -11.221 1.00 0.00 H new ATOM 0 HG2 LYS A 132 22.241 4.175 -8.941 1.00 0.00 H new ATOM 0 HG3 LYS A 132 20.900 3.180 -8.408 1.00 0.00 H new ATOM 0 HD2 LYS A 132 21.677 1.311 -9.492 1.00 0.00 H new ATOM 0 HD3 LYS A 132 22.188 2.213 -10.905 1.00 0.00 H new ATOM 0 HE2 LYS A 132 23.706 2.506 -8.287 1.00 0.00 H new ATOM 0 HE3 LYS A 132 24.017 1.131 -9.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 25.509 2.957 -9.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 24.501 2.656 -11.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 24.200 3.988 -10.143 1.00 0.00 H new ATOM 2033 N LEU A 133 17.537 4.954 -10.039 1.00 0.00 N ATOM 2034 CA LEU A 133 16.197 4.691 -9.555 1.00 0.00 C ATOM 2035 C LEU A 133 16.240 3.381 -8.786 1.00 0.00 C ATOM 2036 O LEU A 133 16.813 2.411 -9.284 1.00 0.00 O ATOM 2037 CB LEU A 133 15.204 4.649 -10.731 1.00 0.00 C ATOM 2038 CG LEU A 133 13.785 5.116 -10.369 1.00 0.00 C ATOM 2039 CD1 LEU A 133 13.804 6.526 -9.772 1.00 0.00 C ATOM 2040 CD2 LEU A 133 12.917 5.069 -11.623 1.00 0.00 C ATOM 0 H LEU A 133 17.609 5.026 -11.054 1.00 0.00 H new ATOM 0 HA LEU A 133 15.852 5.484 -8.892 1.00 0.00 H new ATOM 0 HB2 LEU A 133 15.586 5.274 -11.538 1.00 0.00 H new ATOM 0 HB3 LEU A 133 15.153 3.630 -11.114 1.00 0.00 H new ATOM 0 HG LEU A 133 13.369 4.451 -9.612 1.00 0.00 H new ATOM 0 HD11 LEU A 133 12.787 6.830 -9.525 1.00 0.00 H new ATOM 0 HD12 LEU A 133 14.413 6.530 -8.868 1.00 0.00 H new ATOM 0 HD13 LEU A 133 14.225 7.222 -10.497 1.00 0.00 H new ATOM 0 HD21 LEU A 133 11.907 5.398 -11.379 1.00 0.00 H new ATOM 0 HD22 LEU A 133 13.339 5.727 -12.383 1.00 0.00 H new ATOM 0 HD23 LEU A 133 12.884 4.048 -12.004 1.00 0.00 H new ATOM 2052 N CYS A 134 15.697 3.407 -7.569 1.00 0.00 N ATOM 2053 CA CYS A 134 15.607 2.257 -6.700 1.00 0.00 C ATOM 2054 C CYS A 134 14.816 1.155 -7.401 1.00 0.00 C ATOM 2055 O CYS A 134 14.302 1.313 -8.513 1.00 0.00 O ATOM 2056 CB CYS A 134 14.912 2.633 -5.379 1.00 0.00 C ATOM 2057 SG CYS A 134 15.654 3.922 -4.374 1.00 0.00 S ATOM 0 H CYS A 134 15.301 4.253 -7.160 1.00 0.00 H new ATOM 0 HA CYS A 134 16.613 1.903 -6.475 1.00 0.00 H new ATOM 0 HB2 CYS A 134 13.892 2.938 -5.613 1.00 0.00 H new ATOM 0 HB3 CYS A 134 14.844 1.732 -4.769 1.00 0.00 H new ATOM 2062 N SER A 135 14.612 0.065 -6.687 1.00 0.00 N ATOM 2063 CA SER A 135 13.931 -1.053 -7.305 1.00 0.00 C ATOM 2064 C SER A 135 13.248 -1.792 -6.192 1.00 0.00 C ATOM 2065 O SER A 135 13.809 -2.748 -5.697 1.00 0.00 O ATOM 2066 CB SER A 135 14.930 -1.964 -8.046 1.00 0.00 C ATOM 2067 OG SER A 135 15.994 -1.250 -8.656 1.00 0.00 O ATOM 0 H SER A 135 14.895 -0.069 -5.716 1.00 0.00 H new ATOM 0 HA SER A 135 13.212 -0.716 -8.051 1.00 0.00 H new ATOM 0 HB2 SER A 135 15.343 -2.687 -7.342 1.00 0.00 H new ATOM 0 HB3 SER A 135 14.397 -2.531 -8.809 1.00 0.00 H new ATOM 0 HG SER A 135 16.594 -1.880 -9.108 1.00 0.00 H new ATOM 2073 N HIS A 136 12.078 -1.310 -5.777 1.00 0.00 N ATOM 2074 CA HIS A 136 11.219 -1.981 -4.807 1.00 0.00 C ATOM 2075 C HIS A 136 11.236 -3.509 -4.963 1.00 0.00 C ATOM 2076 O HIS A 136 10.526 -3.972 -5.871 1.00 0.00 O ATOM 2077 CB HIS A 136 9.777 -1.432 -4.897 1.00 0.00 C ATOM 2078 CG HIS A 136 9.314 -1.046 -6.288 1.00 0.00 C ATOM 2079 ND1 HIS A 136 8.285 -0.228 -6.637 1.00 0.00 N flip ATOM 2080 CD2 HIS A 136 9.897 -1.473 -7.455 1.00 0.00 C flip ATOM 2081 CE1 HIS A 136 8.277 -0.113 -8.011 1.00 0.00 C flip ATOM 2082 NE2 HIS A 136 9.284 -0.871 -8.487 1.00 0.00 N flip ATOM 2083 OXT HIS A 136 11.930 -4.167 -4.174 1.00 0.00 O ATOM 0 H HIS A 136 11.695 -0.426 -6.112 1.00 0.00 H new ATOM 0 HA HIS A 136 11.619 -1.765 -3.816 1.00 0.00 H new ATOM 0 HB2 HIS A 136 9.095 -2.184 -4.501 1.00 0.00 H new ATOM 0 HB3 HIS A 136 9.698 -0.558 -4.251 1.00 0.00 H new ATOM 0 HD1 HIS A 136 7.633 0.222 -5.994 1.00 0.00 H new ATOM 0 HD2 HIS A 136 10.713 -2.176 -7.531 1.00 0.00 H new ATOM 0 HE1 HIS A 136 7.589 0.477 -8.598 1.00 0.00 H new