USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 642 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 6 SER OG : rot 180:sc= 0.939 USER MOD Set 1.2: A 94 GLN : amide:sc= -0.322 X(o=-0.11,f=0.17) USER MOD Set 1.3: A 95 ASN : amide:sc= -0.73! C(o=-0.11!,f=-6.9!) USER MOD Set 2.1: A 2 SER OG : rot 173:sc= -3.51! USER MOD Set 2.2: A 91 ASN :FLIP amide:sc= 0 F(o=-4.9!,f=-3.5) USER MOD Set 3.1: A 43 ASN : amide:sc= -5.5! C(o=-4.6!,f=-6.4!) USER MOD Set 3.2: A 59 SER OG : rot -87:sc= 1.24 USER MOD Set 3.3: A 73 CYS SG : rot 180:sc= -0.376 USER MOD Set 4.1: A 14 ASN : amide:sc= 1.13 K(o=3.3,f=0.79) USER MOD Set 4.2: A 18 THR OG1 : rot -74:sc= 2.18 USER MOD Set 5.1: A 7 SER OG : rot 126:sc= 1.27 USER MOD Set 5.2: A 23 CYS SG : rot -108:sc= -1.09! USER MOD Single : A 3 TYR OH : rot 32:sc= 0.0325 USER MOD Single : A 9 ASN : amide:sc= 1.18 K(o=1.2,f=-0.67) USER MOD Single : A 13 THR OG1 : rot 180:sc= -1.39 USER MOD Single : A 25 ASN : amide:sc= -1.59! C(o=-1.6!,f=-10!) USER MOD Single : A 29 ASN : amide:sc= 0.146 K(o=0.15,f=-6.7!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 148:sc= 0.807 USER MOD Single : A 39 THR OG1 : rot -90:sc= 1.11 USER MOD Single : A 40 CYS SG : rot 178:sc= -1.29! USER MOD Single : A 45 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 52 MET CE :methyl 167:sc= -0.802 (180deg=-1.2) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 54 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 56 SER OG : rot 160:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 86:sc= 0.287 USER MOD Single : A 63 LYS NZ :NH3+ -140:sc= 0.639 (180deg=-0.532!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 27:sc= 0.408 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -4.17! C(o=-4.2!,f=-6.4!) USER MOD Single : A 97 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 103 GLN :FLIP amide:sc=-0.00368 F(o=-1.2!,f=-0.0037) USER MOD ----------------------------------------------------------------- ATOM 16 N SER A 2 1.888 11.927 -0.888 1.00 0.00 N ATOM 17 CA SER A 2 2.381 10.684 -0.316 1.00 0.00 C ATOM 18 C SER A 2 3.903 10.630 -0.329 1.00 0.00 C ATOM 19 O SER A 2 4.566 11.568 -0.772 1.00 0.00 O ATOM 20 CB SER A 2 1.823 9.487 -1.079 1.00 0.00 C ATOM 21 OG SER A 2 0.435 9.633 -1.306 1.00 0.00 O ATOM 0 HA SER A 2 2.043 10.645 0.719 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.342 9.385 -2.032 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.009 8.573 -0.515 1.00 0.00 H new ATOM 0 HG SER A 2 0.122 8.913 -1.892 1.00 0.00 H new ATOM 26 N TYR A 3 4.450 9.538 0.168 1.00 0.00 N ATOM 27 CA TYR A 3 5.890 9.336 0.188 1.00 0.00 C ATOM 28 C TYR A 3 6.467 9.383 -1.230 1.00 0.00 C ATOM 29 O TYR A 3 7.573 9.873 -1.443 1.00 0.00 O ATOM 30 CB TYR A 3 6.214 7.988 0.833 1.00 0.00 C ATOM 31 CG TYR A 3 5.708 6.797 0.047 1.00 0.00 C ATOM 32 CD1 TYR A 3 4.358 6.471 0.034 1.00 0.00 C ATOM 33 CD2 TYR A 3 6.578 6.011 -0.697 1.00 0.00 C ATOM 34 CE1 TYR A 3 3.891 5.398 -0.692 1.00 0.00 C ATOM 35 CE2 TYR A 3 6.117 4.936 -1.428 1.00 0.00 C ATOM 36 CZ TYR A 3 4.772 4.636 -1.424 1.00 0.00 C ATOM 37 OH TYR A 3 4.303 3.570 -2.150 1.00 0.00 O ATOM 0 H TYR A 3 3.914 8.768 0.568 1.00 0.00 H new ATOM 0 HA TYR A 3 6.342 10.138 0.771 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.294 7.902 0.950 1.00 0.00 H new ATOM 0 HB3 TYR A 3 5.782 7.961 1.833 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.662 7.070 0.603 1.00 0.00 H new ATOM 0 HD2 TYR A 3 7.632 6.245 -0.703 1.00 0.00 H new ATOM 0 HE1 TYR A 3 2.838 5.156 -0.687 1.00 0.00 H new ATOM 0 HE2 TYR A 3 6.806 4.333 -2.000 1.00 0.00 H new ATOM 0 HH TYR A 3 3.395 3.762 -2.464 1.00 0.00 H new ATOM 46 N ALA A 4 5.683 8.900 -2.196 1.00 0.00 N ATOM 47 CA ALA A 4 6.091 8.845 -3.602 1.00 0.00 C ATOM 48 C ALA A 4 6.496 10.211 -4.153 1.00 0.00 C ATOM 49 O ALA A 4 7.185 10.297 -5.167 1.00 0.00 O ATOM 50 CB ALA A 4 4.970 8.251 -4.438 1.00 0.00 C ATOM 0 H ALA A 4 4.746 8.535 -2.026 1.00 0.00 H new ATOM 0 HA ALA A 4 6.974 8.209 -3.659 1.00 0.00 H new ATOM 0 HB1 ALA A 4 5.277 8.212 -5.483 1.00 0.00 H new ATOM 0 HB2 ALA A 4 4.749 7.243 -4.087 1.00 0.00 H new ATOM 0 HB3 ALA A 4 4.079 8.871 -4.345 1.00 0.00 H new ATOM 56 N ASP A 5 6.073 11.275 -3.484 1.00 0.00 N ATOM 57 CA ASP A 5 6.395 12.622 -3.903 1.00 0.00 C ATOM 58 C ASP A 5 7.886 12.914 -3.699 1.00 0.00 C ATOM 59 O ASP A 5 8.420 13.891 -4.223 1.00 0.00 O ATOM 60 CB ASP A 5 5.525 13.604 -3.124 1.00 0.00 C ATOM 61 CG ASP A 5 4.069 13.549 -3.544 1.00 0.00 C ATOM 62 OD1 ASP A 5 3.354 12.628 -3.102 1.00 0.00 O ATOM 63 OD2 ASP A 5 3.628 14.422 -4.322 1.00 0.00 O ATOM 0 H ASP A 5 5.501 11.224 -2.641 1.00 0.00 H new ATOM 0 HA ASP A 5 6.190 12.733 -4.968 1.00 0.00 H new ATOM 0 HB2 ASP A 5 5.601 13.386 -2.059 1.00 0.00 H new ATOM 0 HB3 ASP A 5 5.904 14.615 -3.270 1.00 0.00 H new ATOM 67 N SER A 6 8.547 12.058 -2.929 1.00 0.00 N ATOM 68 CA SER A 6 9.971 12.181 -2.662 1.00 0.00 C ATOM 69 C SER A 6 10.567 10.792 -2.445 1.00 0.00 C ATOM 70 O SER A 6 11.494 10.602 -1.655 1.00 0.00 O ATOM 71 CB SER A 6 10.209 13.079 -1.445 1.00 0.00 C ATOM 72 OG SER A 6 9.388 12.695 -0.357 1.00 0.00 O ATOM 0 H SER A 6 8.108 11.258 -2.472 1.00 0.00 H new ATOM 0 HA SER A 6 10.463 12.644 -3.517 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.257 13.026 -1.150 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.005 14.116 -1.710 1.00 0.00 H new ATOM 0 HG SER A 6 9.561 13.283 0.407 1.00 0.00 H new ATOM 77 N SER A 7 10.015 9.821 -3.161 1.00 0.00 N ATOM 78 CA SER A 7 10.458 8.444 -3.064 1.00 0.00 C ATOM 79 C SER A 7 10.274 7.757 -4.412 1.00 0.00 C ATOM 80 O SER A 7 9.447 8.181 -5.218 1.00 0.00 O ATOM 81 CB SER A 7 9.656 7.718 -1.979 1.00 0.00 C ATOM 82 OG SER A 7 10.192 6.438 -1.700 1.00 0.00 O ATOM 0 H SER A 7 9.252 9.969 -3.821 1.00 0.00 H new ATOM 0 HA SER A 7 11.514 8.416 -2.794 1.00 0.00 H new ATOM 0 HB2 SER A 7 9.651 8.317 -1.068 1.00 0.00 H new ATOM 0 HB3 SER A 7 8.619 7.616 -2.299 1.00 0.00 H new ATOM 0 HG SER A 7 10.372 6.361 -0.740 1.00 0.00 H new ATOM 87 N ARG A 8 11.045 6.708 -4.657 1.00 0.00 N ATOM 88 CA ARG A 8 10.958 5.977 -5.912 1.00 0.00 C ATOM 89 C ARG A 8 11.288 4.511 -5.707 1.00 0.00 C ATOM 90 O ARG A 8 11.744 4.117 -4.630 1.00 0.00 O ATOM 91 CB ARG A 8 11.914 6.571 -6.948 1.00 0.00 C ATOM 92 CG ARG A 8 13.371 6.606 -6.500 1.00 0.00 C ATOM 93 CD ARG A 8 14.287 7.058 -7.626 1.00 0.00 C ATOM 94 NE ARG A 8 13.713 8.181 -8.354 1.00 0.00 N ATOM 95 CZ ARG A 8 14.411 9.187 -8.874 1.00 0.00 C ATOM 96 NH1 ARG A 8 15.737 9.216 -8.780 1.00 0.00 N ATOM 97 NH2 ARG A 8 13.770 10.168 -9.496 1.00 0.00 N ATOM 0 H ARG A 8 11.738 6.344 -4.003 1.00 0.00 H new ATOM 0 HA ARG A 8 9.934 6.063 -6.276 1.00 0.00 H new ATOM 0 HB2 ARG A 8 11.842 5.991 -7.868 1.00 0.00 H new ATOM 0 HB3 ARG A 8 11.593 7.586 -7.184 1.00 0.00 H new ATOM 0 HG2 ARG A 8 13.476 7.281 -5.651 1.00 0.00 H new ATOM 0 HG3 ARG A 8 13.672 5.615 -6.159 1.00 0.00 H new ATOM 0 HD2 ARG A 8 15.256 7.344 -7.217 1.00 0.00 H new ATOM 0 HD3 ARG A 8 14.462 6.228 -8.311 1.00 0.00 H new ATOM 0 HE ARG A 8 12.700 8.197 -8.474 1.00 0.00 H new ATOM 0 HH11 ARG A 8 16.231 8.461 -8.305 1.00 0.00 H new ATOM 0 HH12 ARG A 8 16.260 9.993 -9.183 1.00 0.00 H new ATOM 0 HH21 ARG A 8 12.753 10.145 -9.571 1.00 0.00 H new ATOM 0 HH22 ARG A 8 14.294 10.945 -9.899 1.00 0.00 H new ATOM 108 N ASN A 9 11.042 3.715 -6.749 1.00 0.00 N ATOM 109 CA ASN A 9 11.330 2.286 -6.727 1.00 0.00 C ATOM 110 C ASN A 9 10.508 1.576 -5.662 1.00 0.00 C ATOM 111 O ASN A 9 11.019 0.743 -4.912 1.00 0.00 O ATOM 112 CB ASN A 9 12.831 2.059 -6.518 1.00 0.00 C ATOM 113 CG ASN A 9 13.629 2.358 -7.773 1.00 0.00 C ATOM 114 OD1 ASN A 9 13.254 1.945 -8.872 1.00 0.00 O ATOM 115 ND2 ASN A 9 14.710 3.106 -7.632 1.00 0.00 N ATOM 0 H ASN A 9 10.639 4.044 -7.627 1.00 0.00 H new ATOM 0 HA ASN A 9 11.047 1.858 -7.689 1.00 0.00 H new ATOM 0 HB2 ASN A 9 13.184 2.692 -5.704 1.00 0.00 H new ATOM 0 HB3 ASN A 9 13.003 1.026 -6.216 1.00 0.00 H new ATOM 0 HD21 ASN A 9 15.265 3.360 -8.449 1.00 0.00 H new ATOM 0 HD22 ASN A 9 14.989 3.429 -6.706 1.00 0.00 H new ATOM 121 N ALA A 10 9.227 1.922 -5.608 1.00 0.00 N ATOM 122 CA ALA A 10 8.305 1.332 -4.648 1.00 0.00 C ATOM 123 C ALA A 10 7.826 -0.035 -5.124 1.00 0.00 C ATOM 124 O ALA A 10 7.331 -0.174 -6.245 1.00 0.00 O ATOM 125 CB ALA A 10 7.121 2.260 -4.422 1.00 0.00 C ATOM 0 H ALA A 10 8.802 2.615 -6.224 1.00 0.00 H new ATOM 0 HA ALA A 10 8.832 1.196 -3.704 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.438 1.809 -3.702 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.476 3.215 -4.036 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.600 2.421 -5.366 1.00 0.00 H new ATOM 131 N VAL A 11 7.987 -1.035 -4.271 1.00 0.00 N ATOM 132 CA VAL A 11 7.575 -2.399 -4.582 1.00 0.00 C ATOM 133 C VAL A 11 6.664 -2.948 -3.484 1.00 0.00 C ATOM 134 O VAL A 11 6.494 -2.316 -2.437 1.00 0.00 O ATOM 135 CB VAL A 11 8.790 -3.339 -4.750 1.00 0.00 C ATOM 136 CG1 VAL A 11 9.664 -2.893 -5.911 1.00 0.00 C ATOM 137 CG2 VAL A 11 9.604 -3.411 -3.467 1.00 0.00 C ATOM 0 H VAL A 11 8.405 -0.927 -3.347 1.00 0.00 H new ATOM 0 HA VAL A 11 7.032 -2.362 -5.527 1.00 0.00 H new ATOM 0 HB VAL A 11 8.412 -4.337 -4.970 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.512 -3.570 -6.009 1.00 0.00 H new ATOM 0 HG12 VAL A 11 9.081 -2.907 -6.832 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.026 -1.882 -5.726 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.453 -4.079 -3.612 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.965 -2.416 -3.209 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.978 -3.790 -2.660 1.00 0.00 H new ATOM 147 N LEU A 12 6.097 -4.127 -3.721 1.00 0.00 N ATOM 148 CA LEU A 12 5.198 -4.753 -2.757 1.00 0.00 C ATOM 149 C LEU A 12 5.885 -5.917 -2.059 1.00 0.00 C ATOM 150 O LEU A 12 6.214 -6.928 -2.692 1.00 0.00 O ATOM 151 CB LEU A 12 3.916 -5.265 -3.435 1.00 0.00 C ATOM 152 CG LEU A 12 2.935 -4.198 -3.935 1.00 0.00 C ATOM 153 CD1 LEU A 12 2.730 -3.121 -2.881 1.00 0.00 C ATOM 154 CD2 LEU A 12 3.400 -3.598 -5.255 1.00 0.00 C ATOM 0 H LEU A 12 6.244 -4.668 -4.573 1.00 0.00 H new ATOM 0 HA LEU A 12 4.931 -3.991 -2.025 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.203 -5.888 -4.282 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.390 -5.908 -2.729 1.00 0.00 H new ATOM 0 HG LEU A 12 1.974 -4.680 -4.116 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.031 -2.374 -3.256 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.328 -3.572 -1.974 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.684 -2.645 -2.657 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.684 -2.845 -5.584 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.378 -3.135 -5.120 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.471 -4.384 -6.007 1.00 0.00 H new ATOM 165 N THR A 13 6.091 -5.782 -0.759 1.00 0.00 N ATOM 166 CA THR A 13 6.733 -6.825 0.018 1.00 0.00 C ATOM 167 C THR A 13 5.742 -7.478 0.980 1.00 0.00 C ATOM 168 O THR A 13 4.635 -6.958 1.194 1.00 0.00 O ATOM 169 CB THR A 13 7.944 -6.277 0.796 1.00 0.00 C ATOM 170 OG1 THR A 13 7.577 -5.086 1.507 1.00 0.00 O ATOM 171 CG2 THR A 13 9.098 -5.976 -0.150 1.00 0.00 C ATOM 0 H THR A 13 5.822 -4.958 -0.221 1.00 0.00 H new ATOM 0 HA THR A 13 7.089 -7.581 -0.682 1.00 0.00 H new ATOM 0 HB THR A 13 8.265 -7.036 1.509 1.00 0.00 H new ATOM 0 HG1 THR A 13 8.353 -4.747 1.999 1.00 0.00 H new ATOM 0 HG21 THR A 13 9.944 -5.590 0.419 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.394 -6.890 -0.665 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.784 -5.232 -0.882 1.00 0.00 H new ATOM 179 N ASN A 14 6.144 -8.619 1.544 1.00 0.00 N ATOM 180 CA ASN A 14 5.308 -9.376 2.473 1.00 0.00 C ATOM 181 C ASN A 14 3.975 -9.735 1.825 1.00 0.00 C ATOM 182 O ASN A 14 2.917 -9.617 2.438 1.00 0.00 O ATOM 183 CB ASN A 14 5.082 -8.592 3.771 1.00 0.00 C ATOM 184 CG ASN A 14 6.306 -8.571 4.669 1.00 0.00 C ATOM 185 OD1 ASN A 14 7.058 -9.543 4.741 1.00 0.00 O ATOM 186 ND2 ASN A 14 6.517 -7.458 5.351 1.00 0.00 N ATOM 0 H ASN A 14 7.056 -9.042 1.369 1.00 0.00 H new ATOM 0 HA ASN A 14 5.831 -10.300 2.722 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.799 -7.568 3.527 1.00 0.00 H new ATOM 0 HB3 ASN A 14 4.246 -9.032 4.315 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.328 -7.382 5.965 1.00 0.00 H new ATOM 0 HD22 ASN A 14 5.869 -6.675 5.263 1.00 0.00 H new ATOM 192 N GLY A 15 4.040 -10.146 0.564 1.00 0.00 N ATOM 193 CA GLY A 15 2.840 -10.518 -0.166 1.00 0.00 C ATOM 194 C GLY A 15 2.185 -9.333 -0.851 1.00 0.00 C ATOM 195 O GLY A 15 1.730 -9.433 -1.992 1.00 0.00 O ATOM 0 H GLY A 15 4.906 -10.229 0.031 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.092 -11.271 -0.912 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.128 -10.975 0.521 1.00 0.00 H new ATOM 199 N GLY A 16 2.148 -8.212 -0.154 1.00 0.00 N ATOM 200 CA GLY A 16 1.545 -7.012 -0.692 1.00 0.00 C ATOM 201 C GLY A 16 0.888 -6.198 0.399 1.00 0.00 C ATOM 202 O GLY A 16 -0.229 -5.712 0.245 1.00 0.00 O ATOM 0 H GLY A 16 2.529 -8.110 0.786 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.305 -6.411 -1.191 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.805 -7.280 -1.446 1.00 0.00 H new ATOM 206 N ARG A 17 1.590 -6.059 1.510 1.00 0.00 N ATOM 207 CA ARG A 17 1.076 -5.315 2.653 1.00 0.00 C ATOM 208 C ARG A 17 2.059 -4.238 3.087 1.00 0.00 C ATOM 209 O ARG A 17 1.670 -3.223 3.666 1.00 0.00 O ATOM 210 CB ARG A 17 0.806 -6.267 3.821 1.00 0.00 C ATOM 211 CG ARG A 17 1.987 -7.165 4.147 1.00 0.00 C ATOM 212 CD ARG A 17 1.729 -8.041 5.362 1.00 0.00 C ATOM 213 NE ARG A 17 1.732 -7.271 6.601 1.00 0.00 N ATOM 214 CZ ARG A 17 2.228 -7.706 7.757 1.00 0.00 C ATOM 215 NH1 ARG A 17 2.753 -8.924 7.847 1.00 0.00 N ATOM 216 NH2 ARG A 17 2.178 -6.922 8.827 1.00 0.00 N ATOM 0 H ARG A 17 2.521 -6.452 1.648 1.00 0.00 H new ATOM 0 HA ARG A 17 0.145 -4.834 2.354 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.547 -5.683 4.704 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.059 -6.887 3.584 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.208 -7.797 3.287 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.869 -6.550 4.326 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.768 -8.543 5.249 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.491 -8.819 5.417 1.00 0.00 H new ATOM 0 HE ARG A 17 1.326 -6.335 6.580 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.777 -9.531 7.027 1.00 0.00 H new ATOM 0 HH12 ARG A 17 3.132 -9.252 8.736 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.762 -5.993 8.760 1.00 0.00 H new ATOM 0 HH22 ARG A 17 2.556 -7.248 9.716 1.00 0.00 H new ATOM 227 N THR A 18 3.330 -4.460 2.800 1.00 0.00 N ATOM 228 CA THR A 18 4.364 -3.525 3.177 1.00 0.00 C ATOM 229 C THR A 18 4.889 -2.770 1.958 1.00 0.00 C ATOM 230 O THR A 18 5.107 -3.358 0.896 1.00 0.00 O ATOM 231 CB THR A 18 5.526 -4.263 3.858 1.00 0.00 C ATOM 232 OG1 THR A 18 5.006 -5.262 4.749 1.00 0.00 O ATOM 233 CG2 THR A 18 6.407 -3.295 4.632 1.00 0.00 C ATOM 0 H THR A 18 3.667 -5.285 2.304 1.00 0.00 H new ATOM 0 HA THR A 18 3.929 -2.808 3.874 1.00 0.00 H new ATOM 0 HB THR A 18 6.133 -4.737 3.086 1.00 0.00 H new ATOM 0 HG1 THR A 18 4.643 -4.829 5.550 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.222 -3.843 5.105 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.818 -2.551 3.949 1.00 0.00 H new ATOM 0 HG23 THR A 18 5.814 -2.796 5.398 1.00 0.00 H new ATOM 241 N LEU A 19 5.059 -1.468 2.113 1.00 0.00 N ATOM 242 CA LEU A 19 5.578 -0.631 1.046 1.00 0.00 C ATOM 243 C LEU A 19 7.077 -0.465 1.193 1.00 0.00 C ATOM 244 O LEU A 19 7.547 0.097 2.181 1.00 0.00 O ATOM 245 CB LEU A 19 4.925 0.751 1.063 1.00 0.00 C ATOM 246 CG LEU A 19 3.477 0.807 0.593 1.00 0.00 C ATOM 247 CD1 LEU A 19 2.981 2.244 0.609 1.00 0.00 C ATOM 248 CD2 LEU A 19 3.341 0.208 -0.798 1.00 0.00 C ATOM 0 H LEU A 19 4.843 -0.965 2.974 1.00 0.00 H new ATOM 0 HA LEU A 19 5.348 -1.122 0.100 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.972 1.142 2.079 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.516 1.419 0.437 1.00 0.00 H new ATOM 0 HG LEU A 19 2.864 0.218 1.275 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.945 2.275 0.272 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.045 2.640 1.623 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.597 2.849 -0.056 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.299 0.258 -1.115 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.961 0.769 -1.498 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.665 -0.832 -0.779 1.00 0.00 H new ATOM 259 N ARG A 20 7.822 -0.966 0.229 1.00 0.00 N ATOM 260 CA ARG A 20 9.267 -0.844 0.257 1.00 0.00 C ATOM 261 C ARG A 20 9.707 0.065 -0.881 1.00 0.00 C ATOM 262 O ARG A 20 9.466 -0.243 -2.047 1.00 0.00 O ATOM 263 CB ARG A 20 9.890 -2.231 0.107 1.00 0.00 C ATOM 264 CG ARG A 20 11.402 -2.263 0.193 1.00 0.00 C ATOM 265 CD ARG A 20 11.906 -3.674 -0.050 1.00 0.00 C ATOM 266 NE ARG A 20 13.360 -3.771 -0.043 1.00 0.00 N ATOM 267 CZ ARG A 20 14.028 -4.866 -0.405 1.00 0.00 C ATOM 268 NH1 ARG A 20 13.365 -5.937 -0.830 1.00 0.00 N ATOM 269 NH2 ARG A 20 15.353 -4.890 -0.341 1.00 0.00 N ATOM 0 H ARG A 20 7.453 -1.461 -0.583 1.00 0.00 H new ATOM 0 HA ARG A 20 9.594 -0.413 1.203 1.00 0.00 H new ATOM 0 HB2 ARG A 20 9.483 -2.882 0.881 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.586 -2.648 -0.853 1.00 0.00 H new ATOM 0 HG2 ARG A 20 11.831 -1.583 -0.543 1.00 0.00 H new ATOM 0 HG3 ARG A 20 11.726 -1.916 1.174 1.00 0.00 H new ATOM 0 HD2 ARG A 20 11.500 -4.335 0.716 1.00 0.00 H new ATOM 0 HD3 ARG A 20 11.529 -4.028 -1.009 1.00 0.00 H new ATOM 0 HE ARG A 20 13.896 -2.956 0.255 1.00 0.00 H new ATOM 0 HH11 ARG A 20 12.346 -5.920 -0.879 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.875 -6.776 -1.107 1.00 0.00 H new ATOM 0 HH21 ARG A 20 15.863 -4.069 -0.014 1.00 0.00 H new ATOM 0 HH22 ARG A 20 15.862 -5.729 -0.619 1.00 0.00 H new ATOM 280 N ALA A 21 10.346 1.176 -0.546 1.00 0.00 N ATOM 281 CA ALA A 21 10.795 2.126 -1.555 1.00 0.00 C ATOM 282 C ALA A 21 11.986 2.934 -1.067 1.00 0.00 C ATOM 283 O ALA A 21 12.301 2.934 0.123 1.00 0.00 O ATOM 284 CB ALA A 21 9.655 3.065 -1.922 1.00 0.00 C ATOM 0 H ALA A 21 10.565 1.442 0.414 1.00 0.00 H new ATOM 0 HA ALA A 21 11.106 1.561 -2.434 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.996 3.774 -2.677 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.820 2.487 -2.318 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.331 3.608 -1.034 1.00 0.00 H new ATOM 290 N GLU A 22 12.636 3.625 -1.995 1.00 0.00 N ATOM 291 CA GLU A 22 13.771 4.470 -1.667 1.00 0.00 C ATOM 292 C GLU A 22 13.244 5.859 -1.380 1.00 0.00 C ATOM 293 O GLU A 22 12.812 6.558 -2.296 1.00 0.00 O ATOM 294 CB GLU A 22 14.772 4.522 -2.825 1.00 0.00 C ATOM 295 CG GLU A 22 15.189 3.144 -3.309 1.00 0.00 C ATOM 296 CD GLU A 22 16.326 3.188 -4.301 1.00 0.00 C ATOM 297 OE1 GLU A 22 16.110 3.627 -5.448 1.00 0.00 O ATOM 298 OE2 GLU A 22 17.447 2.776 -3.937 1.00 0.00 O ATOM 0 H GLU A 22 12.393 3.615 -2.985 1.00 0.00 H new ATOM 0 HA GLU A 22 14.292 4.065 -0.800 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.331 5.075 -3.655 1.00 0.00 H new ATOM 0 HB3 GLU A 22 15.657 5.074 -2.509 1.00 0.00 H new ATOM 0 HG2 GLU A 22 15.484 2.538 -2.453 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.332 2.651 -3.768 1.00 0.00 H new ATOM 303 N CYS A 23 13.237 6.241 -0.118 1.00 0.00 N ATOM 304 CA CYS A 23 12.729 7.541 0.275 1.00 0.00 C ATOM 305 C CYS A 23 13.865 8.524 0.474 1.00 0.00 C ATOM 306 O CYS A 23 14.896 8.185 1.052 1.00 0.00 O ATOM 307 CB CYS A 23 11.909 7.415 1.558 1.00 0.00 C ATOM 308 SG CYS A 23 10.508 6.282 1.423 1.00 0.00 S ATOM 0 H CYS A 23 13.578 5.669 0.654 1.00 0.00 H new ATOM 0 HA CYS A 23 12.088 7.917 -0.522 1.00 0.00 H new ATOM 0 HB2 CYS A 23 12.561 7.076 2.363 1.00 0.00 H new ATOM 0 HB3 CYS A 23 11.540 8.401 1.840 1.00 0.00 H new ATOM 0 HG CYS A 23 9.400 6.962 1.406 1.00 0.00 H new ATOM 313 N ARG A 24 13.691 9.728 -0.041 1.00 0.00 N ATOM 314 CA ARG A 24 14.691 10.755 0.093 1.00 0.00 C ATOM 315 C ARG A 24 14.631 11.353 1.490 1.00 0.00 C ATOM 316 O ARG A 24 13.598 11.878 1.902 1.00 0.00 O ATOM 317 CB ARG A 24 14.453 11.830 -0.958 1.00 0.00 C ATOM 318 CG ARG A 24 15.719 12.532 -1.389 1.00 0.00 C ATOM 319 CD ARG A 24 15.472 13.405 -2.599 1.00 0.00 C ATOM 320 NE ARG A 24 14.959 14.726 -2.237 1.00 0.00 N ATOM 321 CZ ARG A 24 14.863 15.746 -3.091 1.00 0.00 C ATOM 322 NH1 ARG A 24 15.205 15.589 -4.364 1.00 0.00 N ATOM 323 NH2 ARG A 24 14.423 16.922 -2.669 1.00 0.00 N ATOM 0 H ARG A 24 12.859 10.013 -0.558 1.00 0.00 H new ATOM 0 HA ARG A 24 15.681 10.325 -0.057 1.00 0.00 H new ATOM 0 HB2 ARG A 24 13.981 11.378 -1.830 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.753 12.567 -0.563 1.00 0.00 H new ATOM 0 HG2 ARG A 24 16.098 13.141 -0.568 1.00 0.00 H new ATOM 0 HG3 ARG A 24 16.487 11.794 -1.620 1.00 0.00 H new ATOM 0 HD2 ARG A 24 16.401 13.519 -3.157 1.00 0.00 H new ATOM 0 HD3 ARG A 24 14.761 12.911 -3.261 1.00 0.00 H new ATOM 0 HE ARG A 24 14.657 14.876 -1.274 1.00 0.00 H new ATOM 0 HH11 ARG A 24 15.543 14.685 -4.693 1.00 0.00 H new ATOM 0 HH12 ARG A 24 15.130 16.373 -5.013 1.00 0.00 H new ATOM 0 HH21 ARG A 24 14.158 17.047 -1.692 1.00 0.00 H new ATOM 0 HH22 ARG A 24 14.349 17.703 -3.321 1.00 0.00 H new ATOM 334 N ASN A 25 15.727 11.252 2.225 1.00 0.00 N ATOM 335 CA ASN A 25 15.776 11.793 3.573 1.00 0.00 C ATOM 336 C ASN A 25 16.163 13.262 3.540 1.00 0.00 C ATOM 337 O ASN A 25 16.605 13.757 2.494 1.00 0.00 O ATOM 338 CB ASN A 25 16.734 10.997 4.480 1.00 0.00 C ATOM 339 CG ASN A 25 18.183 11.004 4.022 1.00 0.00 C ATOM 340 OD1 ASN A 25 18.651 11.946 3.392 1.00 0.00 O ATOM 341 ND2 ASN A 25 18.907 9.944 4.341 1.00 0.00 N ATOM 0 H ASN A 25 16.589 10.804 1.914 1.00 0.00 H new ATOM 0 HA ASN A 25 14.777 11.701 4.000 1.00 0.00 H new ATOM 0 HB2 ASN A 25 16.683 11.405 5.489 1.00 0.00 H new ATOM 0 HB3 ASN A 25 16.388 9.965 4.536 1.00 0.00 H new ATOM 0 HD21 ASN A 25 19.887 9.893 4.062 1.00 0.00 H new ATOM 0 HD22 ASN A 25 18.486 9.178 4.866 1.00 0.00 H new ATOM 347 N ALA A 26 16.019 13.937 4.674 1.00 0.00 N ATOM 348 CA ALA A 26 16.332 15.359 4.788 1.00 0.00 C ATOM 349 C ALA A 26 17.740 15.677 4.290 1.00 0.00 C ATOM 350 O ALA A 26 17.963 16.713 3.663 1.00 0.00 O ATOM 351 CB ALA A 26 16.170 15.816 6.228 1.00 0.00 C ATOM 0 H ALA A 26 15.683 13.516 5.540 1.00 0.00 H new ATOM 0 HA ALA A 26 15.631 15.901 4.154 1.00 0.00 H new ATOM 0 HB1 ALA A 26 16.406 16.878 6.302 1.00 0.00 H new ATOM 0 HB2 ALA A 26 15.142 15.650 6.549 1.00 0.00 H new ATOM 0 HB3 ALA A 26 16.846 15.249 6.868 1.00 0.00 H new ATOM 357 N ASP A 27 18.678 14.770 4.535 1.00 0.00 N ATOM 358 CA ASP A 27 20.067 14.969 4.112 1.00 0.00 C ATOM 359 C ASP A 27 20.186 14.942 2.587 1.00 0.00 C ATOM 360 O ASP A 27 21.167 15.422 2.011 1.00 0.00 O ATOM 361 CB ASP A 27 20.967 13.897 4.738 1.00 0.00 C ATOM 362 CG ASP A 27 22.419 14.015 4.308 1.00 0.00 C ATOM 363 OD1 ASP A 27 23.062 15.035 4.630 1.00 0.00 O ATOM 364 OD2 ASP A 27 22.931 13.080 3.657 1.00 0.00 O ATOM 0 H ASP A 27 18.507 13.891 5.023 1.00 0.00 H new ATOM 0 HA ASP A 27 20.393 15.950 4.457 1.00 0.00 H new ATOM 0 HB2 ASP A 27 20.908 13.970 5.824 1.00 0.00 H new ATOM 0 HB3 ASP A 27 20.592 12.911 4.464 1.00 0.00 H new ATOM 368 N GLY A 28 19.162 14.410 1.937 1.00 0.00 N ATOM 369 CA GLY A 28 19.154 14.316 0.492 1.00 0.00 C ATOM 370 C GLY A 28 19.700 12.989 0.026 1.00 0.00 C ATOM 371 O GLY A 28 20.360 12.903 -1.010 1.00 0.00 O ATOM 0 H GLY A 28 18.328 14.038 2.391 1.00 0.00 H new ATOM 0 HA2 GLY A 28 18.136 14.443 0.123 1.00 0.00 H new ATOM 0 HA3 GLY A 28 19.749 15.125 0.069 1.00 0.00 H new ATOM 375 N ASN A 29 19.423 11.950 0.797 1.00 0.00 N ATOM 376 CA ASN A 29 19.910 10.609 0.479 1.00 0.00 C ATOM 377 C ASN A 29 18.739 9.656 0.284 1.00 0.00 C ATOM 378 O ASN A 29 17.638 9.911 0.769 1.00 0.00 O ATOM 379 CB ASN A 29 20.799 10.088 1.616 1.00 0.00 C ATOM 380 CG ASN A 29 21.852 9.096 1.149 1.00 0.00 C ATOM 381 OD1 ASN A 29 21.663 8.372 0.171 1.00 0.00 O ATOM 382 ND2 ASN A 29 22.971 9.055 1.852 1.00 0.00 N ATOM 0 H ASN A 29 18.864 12.005 1.648 1.00 0.00 H new ATOM 0 HA ASN A 29 20.490 10.662 -0.442 1.00 0.00 H new ATOM 0 HB2 ASN A 29 21.293 10.932 2.098 1.00 0.00 H new ATOM 0 HB3 ASN A 29 20.171 9.613 2.370 1.00 0.00 H new ATOM 0 HD21 ASN A 29 23.714 8.408 1.590 1.00 0.00 H new ATOM 0 HD22 ASN A 29 23.091 9.671 2.656 1.00 0.00 H new ATOM 388 N TRP A 30 18.979 8.564 -0.426 1.00 0.00 N ATOM 389 CA TRP A 30 17.949 7.565 -0.667 1.00 0.00 C ATOM 390 C TRP A 30 18.046 6.452 0.361 1.00 0.00 C ATOM 391 O TRP A 30 19.052 5.745 0.431 1.00 0.00 O ATOM 392 CB TRP A 30 18.066 6.961 -2.066 1.00 0.00 C ATOM 393 CG TRP A 30 17.712 7.902 -3.174 1.00 0.00 C ATOM 394 CD1 TRP A 30 18.542 8.362 -4.154 1.00 0.00 C ATOM 395 CD2 TRP A 30 16.433 8.492 -3.423 1.00 0.00 C ATOM 396 NE1 TRP A 30 17.851 9.194 -4.999 1.00 0.00 N ATOM 397 CE2 TRP A 30 16.557 9.291 -4.568 1.00 0.00 C ATOM 398 CE3 TRP A 30 15.192 8.418 -2.788 1.00 0.00 C ATOM 399 CZ2 TRP A 30 15.491 10.011 -5.094 1.00 0.00 C ATOM 400 CZ3 TRP A 30 14.134 9.137 -3.310 1.00 0.00 C ATOM 401 CH2 TRP A 30 14.289 9.922 -4.454 1.00 0.00 C ATOM 0 H TRP A 30 19.882 8.347 -0.847 1.00 0.00 H new ATOM 0 HA TRP A 30 16.985 8.067 -0.584 1.00 0.00 H new ATOM 0 HB2 TRP A 30 19.088 6.612 -2.214 1.00 0.00 H new ATOM 0 HB3 TRP A 30 17.418 6.086 -2.127 1.00 0.00 H new ATOM 0 HD1 TRP A 30 19.588 8.109 -4.251 1.00 0.00 H new ATOM 0 HE1 TRP A 30 18.240 9.664 -5.816 1.00 0.00 H new ATOM 0 HE3 TRP A 30 15.061 7.810 -1.905 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 15.610 10.620 -5.978 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 13.170 9.091 -2.825 1.00 0.00 H new ATOM 0 HH2 TRP A 30 13.442 10.469 -4.840 1.00 0.00 H new ATOM 411 N VAL A 31 17.008 6.316 1.161 1.00 0.00 N ATOM 412 CA VAL A 31 16.957 5.283 2.179 1.00 0.00 C ATOM 413 C VAL A 31 15.732 4.404 1.980 1.00 0.00 C ATOM 414 O VAL A 31 14.618 4.902 1.820 1.00 0.00 O ATOM 415 CB VAL A 31 16.942 5.866 3.609 1.00 0.00 C ATOM 416 CG1 VAL A 31 18.334 6.325 4.017 1.00 0.00 C ATOM 417 CG2 VAL A 31 15.957 7.018 3.724 1.00 0.00 C ATOM 0 H VAL A 31 16.181 6.913 1.126 1.00 0.00 H new ATOM 0 HA VAL A 31 17.864 4.688 2.070 1.00 0.00 H new ATOM 0 HB VAL A 31 16.621 5.074 4.285 1.00 0.00 H new ATOM 0 HG11 VAL A 31 18.301 6.732 5.027 1.00 0.00 H new ATOM 0 HG12 VAL A 31 19.019 5.478 3.989 1.00 0.00 H new ATOM 0 HG13 VAL A 31 18.680 7.094 3.327 1.00 0.00 H new ATOM 0 HG21 VAL A 31 15.969 7.407 4.742 1.00 0.00 H new ATOM 0 HG22 VAL A 31 16.240 7.809 3.030 1.00 0.00 H new ATOM 0 HG23 VAL A 31 14.954 6.665 3.483 1.00 0.00 H new ATOM 427 N THR A 32 15.942 3.103 1.965 1.00 0.00 N ATOM 428 CA THR A 32 14.844 2.177 1.785 1.00 0.00 C ATOM 429 C THR A 32 14.018 2.082 3.064 1.00 0.00 C ATOM 430 O THR A 32 14.500 1.627 4.103 1.00 0.00 O ATOM 431 CB THR A 32 15.347 0.779 1.384 1.00 0.00 C ATOM 432 OG1 THR A 32 16.267 0.891 0.289 1.00 0.00 O ATOM 433 CG2 THR A 32 14.187 -0.118 0.982 1.00 0.00 C ATOM 0 H THR A 32 16.857 2.666 2.075 1.00 0.00 H new ATOM 0 HA THR A 32 14.219 2.558 0.978 1.00 0.00 H new ATOM 0 HB THR A 32 15.849 0.335 2.243 1.00 0.00 H new ATOM 0 HG1 THR A 32 16.586 -0.001 0.038 1.00 0.00 H new ATOM 0 HG21 THR A 32 14.567 -1.101 0.703 1.00 0.00 H new ATOM 0 HG22 THR A 32 13.498 -0.220 1.821 1.00 0.00 H new ATOM 0 HG23 THR A 32 13.663 0.323 0.134 1.00 0.00 H new ATOM 441 N SER A 33 12.781 2.532 2.982 1.00 0.00 N ATOM 442 CA SER A 33 11.880 2.504 4.117 1.00 0.00 C ATOM 443 C SER A 33 10.721 1.565 3.834 1.00 0.00 C ATOM 444 O SER A 33 10.326 1.389 2.680 1.00 0.00 O ATOM 445 CB SER A 33 11.381 3.914 4.435 1.00 0.00 C ATOM 446 OG SER A 33 12.437 4.719 4.931 1.00 0.00 O ATOM 0 H SER A 33 12.375 2.925 2.133 1.00 0.00 H new ATOM 0 HA SER A 33 12.417 2.134 4.990 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.962 4.368 3.537 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.579 3.864 5.171 1.00 0.00 H new ATOM 0 HG SER A 33 12.293 5.650 4.661 1.00 0.00 H new ATOM 451 N GLU A 34 10.194 0.952 4.882 1.00 0.00 N ATOM 452 CA GLU A 34 9.099 0.011 4.739 1.00 0.00 C ATOM 453 C GLU A 34 7.997 0.301 5.753 1.00 0.00 C ATOM 454 O GLU A 34 8.267 0.471 6.942 1.00 0.00 O ATOM 455 CB GLU A 34 9.633 -1.413 4.912 1.00 0.00 C ATOM 456 CG GLU A 34 10.691 -1.780 3.881 1.00 0.00 C ATOM 457 CD GLU A 34 11.505 -2.995 4.267 1.00 0.00 C ATOM 458 OE1 GLU A 34 11.037 -4.129 4.050 1.00 0.00 O ATOM 459 OE2 GLU A 34 12.627 -2.821 4.784 1.00 0.00 O ATOM 0 H GLU A 34 10.509 1.091 5.842 1.00 0.00 H new ATOM 0 HA GLU A 34 8.666 0.115 3.744 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.055 -1.518 5.911 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.804 -2.117 4.841 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.206 -1.966 2.923 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.361 -0.932 3.740 1.00 0.00 H new ATOM 464 N LEU A 35 6.761 0.368 5.275 1.00 0.00 N ATOM 465 CA LEU A 35 5.612 0.635 6.136 1.00 0.00 C ATOM 466 C LEU A 35 4.509 -0.366 5.820 1.00 0.00 C ATOM 467 O LEU A 35 4.196 -0.598 4.652 1.00 0.00 O ATOM 468 CB LEU A 35 5.108 2.075 5.924 1.00 0.00 C ATOM 469 CG LEU A 35 4.226 2.673 7.040 1.00 0.00 C ATOM 470 CD1 LEU A 35 2.823 2.092 7.010 1.00 0.00 C ATOM 471 CD2 LEU A 35 4.859 2.446 8.405 1.00 0.00 C ATOM 0 H LEU A 35 6.526 0.241 4.291 1.00 0.00 H new ATOM 0 HA LEU A 35 5.908 0.529 7.180 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.975 2.723 5.792 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.543 2.104 4.992 1.00 0.00 H new ATOM 0 HG LEU A 35 4.151 3.745 6.860 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.229 2.535 7.809 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.359 2.311 6.048 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.873 1.012 7.151 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.221 2.875 9.178 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.972 1.376 8.580 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.838 2.924 8.436 1.00 0.00 H new ATOM 482 N ASP A 36 3.934 -0.958 6.856 1.00 0.00 N ATOM 483 CA ASP A 36 2.869 -1.940 6.677 1.00 0.00 C ATOM 484 C ASP A 36 1.519 -1.237 6.645 1.00 0.00 C ATOM 485 O ASP A 36 1.044 -0.727 7.662 1.00 0.00 O ATOM 486 CB ASP A 36 2.889 -2.976 7.807 1.00 0.00 C ATOM 487 CG ASP A 36 4.215 -3.698 7.923 1.00 0.00 C ATOM 488 OD1 ASP A 36 4.434 -4.688 7.195 1.00 0.00 O ATOM 489 OD2 ASP A 36 5.050 -3.283 8.753 1.00 0.00 O ATOM 0 H ASP A 36 4.184 -0.778 7.828 1.00 0.00 H new ATOM 0 HA ASP A 36 3.031 -2.457 5.731 1.00 0.00 H new ATOM 0 HB2 ASP A 36 2.668 -2.480 8.752 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.097 -3.706 7.638 1.00 0.00 H new ATOM 493 N LEU A 37 0.895 -1.217 5.474 1.00 0.00 N ATOM 494 CA LEU A 37 -0.396 -0.560 5.302 1.00 0.00 C ATOM 495 C LEU A 37 -1.531 -1.452 5.776 1.00 0.00 C ATOM 496 O LEU A 37 -2.635 -0.978 6.044 1.00 0.00 O ATOM 497 CB LEU A 37 -0.632 -0.205 3.837 1.00 0.00 C ATOM 498 CG LEU A 37 0.614 0.132 3.029 1.00 0.00 C ATOM 499 CD1 LEU A 37 0.225 0.445 1.600 1.00 0.00 C ATOM 500 CD2 LEU A 37 1.362 1.298 3.650 1.00 0.00 C ATOM 0 H LEU A 37 1.263 -1.649 4.627 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.377 0.350 5.902 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.138 -1.042 3.357 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.312 0.646 3.794 1.00 0.00 H new ATOM 0 HG LEU A 37 1.281 -0.730 3.034 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.119 0.686 1.024 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.268 -0.421 1.159 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.456 1.296 1.586 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.248 1.520 3.055 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.714 2.174 3.676 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.662 1.038 4.665 1.00 0.00 H new ATOM 511 N ASP A 38 -1.254 -2.744 5.896 1.00 0.00 N ATOM 512 CA ASP A 38 -2.260 -3.711 6.329 1.00 0.00 C ATOM 513 C ASP A 38 -2.695 -3.450 7.757 1.00 0.00 C ATOM 514 O ASP A 38 -3.624 -4.077 8.252 1.00 0.00 O ATOM 515 CB ASP A 38 -1.717 -5.130 6.233 1.00 0.00 C ATOM 516 CG ASP A 38 -0.621 -5.377 7.244 1.00 0.00 C ATOM 517 OD1 ASP A 38 0.530 -4.985 6.974 1.00 0.00 O ATOM 518 OD2 ASP A 38 -0.906 -5.954 8.313 1.00 0.00 O ATOM 0 H ASP A 38 -0.339 -3.149 5.699 1.00 0.00 H new ATOM 0 HA ASP A 38 -3.120 -3.600 5.668 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -2.527 -5.842 6.393 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.332 -5.306 5.228 1.00 0.00 H new ATOM 522 N THR A 39 -2.017 -2.528 8.408 1.00 0.00 N ATOM 523 CA THR A 39 -2.317 -2.179 9.776 1.00 0.00 C ATOM 524 C THR A 39 -3.505 -1.219 9.856 1.00 0.00 C ATOM 525 O THR A 39 -4.055 -0.991 10.933 1.00 0.00 O ATOM 526 CB THR A 39 -1.086 -1.540 10.441 1.00 0.00 C ATOM 527 OG1 THR A 39 -0.740 -0.320 9.768 1.00 0.00 O ATOM 528 CG2 THR A 39 0.102 -2.489 10.395 1.00 0.00 C ATOM 0 H THR A 39 -1.244 -2.001 8.002 1.00 0.00 H new ATOM 0 HA THR A 39 -2.581 -3.095 10.305 1.00 0.00 H new ATOM 0 HB THR A 39 -1.334 -1.328 11.481 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.113 -0.514 9.040 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.962 -2.018 10.870 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.147 -3.409 10.924 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.343 -2.721 9.357 1.00 0.00 H new ATOM 536 N CYS A 40 -3.895 -0.651 8.715 1.00 0.00 N ATOM 537 CA CYS A 40 -5.016 0.281 8.689 1.00 0.00 C ATOM 538 C CYS A 40 -5.907 0.080 7.455 1.00 0.00 C ATOM 539 O CYS A 40 -7.020 0.600 7.401 1.00 0.00 O ATOM 540 CB CYS A 40 -4.500 1.722 8.753 1.00 0.00 C ATOM 541 SG CYS A 40 -5.779 2.964 9.070 1.00 0.00 S ATOM 0 H CYS A 40 -3.457 -0.818 7.809 1.00 0.00 H new ATOM 0 HA CYS A 40 -5.634 0.080 9.564 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.744 1.789 9.535 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -4.006 1.960 7.811 1.00 0.00 H new ATOM 0 HG CYS A 40 -5.231 4.140 9.155 1.00 0.00 H new ATOM 546 N ILE A 41 -5.441 -0.680 6.471 1.00 0.00 N ATOM 547 CA ILE A 41 -6.240 -0.924 5.277 1.00 0.00 C ATOM 548 C ILE A 41 -6.957 -2.262 5.393 1.00 0.00 C ATOM 549 O ILE A 41 -6.359 -3.261 5.799 1.00 0.00 O ATOM 550 CB ILE A 41 -5.397 -0.925 3.982 1.00 0.00 C ATOM 551 CG1 ILE A 41 -4.654 0.400 3.812 1.00 0.00 C ATOM 552 CG2 ILE A 41 -6.287 -1.182 2.771 1.00 0.00 C ATOM 553 CD1 ILE A 41 -3.838 0.478 2.538 1.00 0.00 C ATOM 0 H ILE A 41 -4.527 -1.132 6.475 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.956 -0.105 5.211 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.661 -1.725 4.059 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.377 1.216 3.821 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.994 0.549 4.666 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.680 -1.180 1.866 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.776 -2.150 2.878 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.043 -0.400 2.702 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.339 1.445 2.484 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.092 -0.316 2.535 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.496 0.361 1.677 1.00 0.00 H new ATOM 564 N GLY A 42 -8.230 -2.279 5.034 1.00 0.00 N ATOM 565 CA GLY A 42 -8.999 -3.500 5.099 1.00 0.00 C ATOM 566 C GLY A 42 -9.957 -3.621 3.936 1.00 0.00 C ATOM 567 O GLY A 42 -10.498 -2.616 3.471 1.00 0.00 O ATOM 0 H GLY A 42 -8.745 -1.465 4.698 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.324 -4.355 5.104 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.557 -3.529 6.035 1.00 0.00 H new ATOM 571 N ASN A 43 -10.161 -4.843 3.457 1.00 0.00 N ATOM 572 CA ASN A 43 -11.061 -5.081 2.330 1.00 0.00 C ATOM 573 C ASN A 43 -11.671 -6.494 2.343 1.00 0.00 C ATOM 574 O ASN A 43 -11.711 -7.154 1.306 1.00 0.00 O ATOM 575 CB ASN A 43 -10.313 -4.865 1.007 1.00 0.00 C ATOM 576 CG ASN A 43 -9.013 -5.652 0.912 1.00 0.00 C ATOM 577 OD1 ASN A 43 -8.834 -6.674 1.568 1.00 0.00 O ATOM 578 ND2 ASN A 43 -8.096 -5.185 0.080 1.00 0.00 N ATOM 0 H ASN A 43 -9.718 -5.683 3.829 1.00 0.00 H new ATOM 0 HA ASN A 43 -11.880 -4.368 2.426 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -10.963 -5.150 0.180 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.096 -3.803 0.890 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.210 -5.677 -0.030 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -8.276 -4.333 -0.451 1.00 0.00 H new ATOM 584 N PRO A 44 -12.217 -6.967 3.482 1.00 0.00 N ATOM 585 CA PRO A 44 -12.792 -8.317 3.560 1.00 0.00 C ATOM 586 C PRO A 44 -14.166 -8.401 2.902 1.00 0.00 C ATOM 587 O PRO A 44 -14.658 -9.488 2.603 1.00 0.00 O ATOM 588 CB PRO A 44 -12.909 -8.551 5.062 1.00 0.00 C ATOM 589 CG PRO A 44 -13.136 -7.194 5.632 1.00 0.00 C ATOM 590 CD PRO A 44 -12.364 -6.237 4.760 1.00 0.00 C ATOM 0 HA PRO A 44 -12.183 -9.056 3.039 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.734 -9.223 5.296 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.004 -9.005 5.465 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.197 -6.946 5.637 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.792 -7.143 6.665 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -12.900 -5.297 4.625 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.395 -5.992 5.195 1.00 0.00 H new ATOM 595 N ASN A 45 -14.773 -7.245 2.678 1.00 0.00 N ATOM 596 CA ASN A 45 -16.094 -7.171 2.067 1.00 0.00 C ATOM 597 C ASN A 45 -15.987 -6.926 0.571 1.00 0.00 C ATOM 598 O ASN A 45 -16.995 -6.787 -0.120 1.00 0.00 O ATOM 599 CB ASN A 45 -16.909 -6.050 2.715 1.00 0.00 C ATOM 600 CG ASN A 45 -17.251 -6.344 4.163 1.00 0.00 C ATOM 601 OD1 ASN A 45 -17.454 -7.497 4.549 1.00 0.00 O ATOM 602 ND2 ASN A 45 -17.304 -5.301 4.974 1.00 0.00 N ATOM 0 H ASN A 45 -14.369 -6.338 2.912 1.00 0.00 H new ATOM 0 HA ASN A 45 -16.597 -8.125 2.227 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -16.347 -5.118 2.660 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -17.829 -5.901 2.150 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -17.520 -5.434 5.962 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -17.129 -4.364 4.612 1.00 0.00 H new ATOM 608 N GLY A 46 -14.761 -6.879 0.075 1.00 0.00 N ATOM 609 CA GLY A 46 -14.554 -6.642 -1.334 1.00 0.00 C ATOM 610 C GLY A 46 -14.369 -5.178 -1.646 1.00 0.00 C ATOM 611 O GLY A 46 -14.298 -4.789 -2.809 1.00 0.00 O ATOM 0 H GLY A 46 -13.909 -7.001 0.622 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -13.677 -7.196 -1.669 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -15.407 -7.026 -1.894 1.00 0.00 H new ATOM 615 N PHE A 47 -14.307 -4.362 -0.607 1.00 0.00 N ATOM 616 CA PHE A 47 -14.130 -2.931 -0.778 1.00 0.00 C ATOM 617 C PHE A 47 -12.935 -2.442 0.027 1.00 0.00 C ATOM 618 O PHE A 47 -12.767 -2.803 1.191 1.00 0.00 O ATOM 619 CB PHE A 47 -15.402 -2.185 -0.375 1.00 0.00 C ATOM 620 CG PHE A 47 -16.614 -2.641 -1.139 1.00 0.00 C ATOM 621 CD1 PHE A 47 -16.619 -2.644 -2.530 1.00 0.00 C ATOM 622 CD2 PHE A 47 -17.747 -3.072 -0.469 1.00 0.00 C ATOM 623 CE1 PHE A 47 -17.730 -3.069 -3.228 1.00 0.00 C ATOM 624 CE2 PHE A 47 -18.860 -3.496 -1.166 1.00 0.00 C ATOM 625 CZ PHE A 47 -18.853 -3.495 -2.547 1.00 0.00 C ATOM 0 H PHE A 47 -14.377 -4.667 0.364 1.00 0.00 H new ATOM 0 HA PHE A 47 -13.935 -2.727 -1.831 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -15.577 -2.325 0.692 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -15.257 -1.117 -0.537 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -15.744 -2.310 -3.069 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -17.760 -3.076 0.611 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -17.722 -3.069 -4.308 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -19.737 -3.829 -0.631 1.00 0.00 H new ATOM 0 HZ PHE A 47 -19.724 -3.827 -3.093 1.00 0.00 H new ATOM 634 N LEU A 48 -12.115 -1.622 -0.609 1.00 0.00 N ATOM 635 CA LEU A 48 -10.911 -1.085 0.007 1.00 0.00 C ATOM 636 C LEU A 48 -11.207 0.164 0.822 1.00 0.00 C ATOM 637 O LEU A 48 -12.219 0.836 0.613 1.00 0.00 O ATOM 638 CB LEU A 48 -9.884 -0.753 -1.077 1.00 0.00 C ATOM 639 CG LEU A 48 -8.904 -1.874 -1.436 1.00 0.00 C ATOM 640 CD1 LEU A 48 -9.640 -3.106 -1.911 1.00 0.00 C ATOM 641 CD2 LEU A 48 -7.932 -1.403 -2.501 1.00 0.00 C ATOM 0 H LEU A 48 -12.265 -1.309 -1.568 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.514 -1.843 0.682 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -10.419 -0.462 -1.981 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -9.310 0.115 -0.753 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.345 -2.135 -0.537 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.921 -3.886 -2.159 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -10.303 -3.461 -1.122 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -10.228 -2.860 -2.795 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.242 -2.210 -2.746 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.484 -1.114 -3.395 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.371 -0.546 -2.128 1.00 0.00 H new ATOM 652 N GLY A 49 -10.314 0.463 1.750 1.00 0.00 N ATOM 653 CA GLY A 49 -10.464 1.636 2.577 1.00 0.00 C ATOM 654 C GLY A 49 -9.657 1.536 3.851 1.00 0.00 C ATOM 655 O GLY A 49 -9.164 0.458 4.200 1.00 0.00 O ATOM 0 H GLY A 49 -9.481 -0.092 1.945 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.150 2.517 2.017 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.517 1.773 2.824 1.00 0.00 H new ATOM 659 N TRP A 50 -9.520 2.652 4.544 1.00 0.00 N ATOM 660 CA TRP A 50 -8.774 2.691 5.790 1.00 0.00 C ATOM 661 C TRP A 50 -9.749 2.530 6.953 1.00 0.00 C ATOM 662 O TRP A 50 -10.729 3.270 7.059 1.00 0.00 O ATOM 663 CB TRP A 50 -8.004 4.018 5.918 1.00 0.00 C ATOM 664 CG TRP A 50 -6.987 4.253 4.829 1.00 0.00 C ATOM 665 CD1 TRP A 50 -7.198 4.850 3.615 1.00 0.00 C ATOM 666 CD2 TRP A 50 -5.596 3.906 4.861 1.00 0.00 C ATOM 667 NE1 TRP A 50 -6.021 4.894 2.898 1.00 0.00 N ATOM 668 CE2 TRP A 50 -5.029 4.315 3.640 1.00 0.00 C ATOM 669 CE3 TRP A 50 -4.775 3.290 5.806 1.00 0.00 C ATOM 670 CZ2 TRP A 50 -3.682 4.126 3.340 1.00 0.00 C ATOM 671 CZ3 TRP A 50 -3.440 3.097 5.506 1.00 0.00 C ATOM 672 CH2 TRP A 50 -2.905 3.515 4.284 1.00 0.00 C ATOM 0 H TRP A 50 -9.918 3.548 4.263 1.00 0.00 H new ATOM 0 HA TRP A 50 -8.048 1.878 5.804 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -8.719 4.841 5.915 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -7.497 4.039 6.883 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -8.148 5.231 3.269 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -5.909 5.293 1.966 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -5.176 2.969 6.756 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -3.267 4.450 2.397 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -2.798 2.615 6.229 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -1.857 3.352 4.082 1.00 0.00 H new ATOM 682 N GLY A 51 -9.499 1.550 7.810 1.00 0.00 N ATOM 683 CA GLY A 51 -10.378 1.314 8.940 1.00 0.00 C ATOM 684 C GLY A 51 -10.132 -0.023 9.608 1.00 0.00 C ATOM 685 O GLY A 51 -10.122 -0.116 10.835 1.00 0.00 O ATOM 0 H GLY A 51 -8.704 0.914 7.744 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.243 2.111 9.672 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.414 1.362 8.604 1.00 0.00 H new ATOM 689 N MET A 52 -9.946 -1.066 8.807 1.00 0.00 N ATOM 690 CA MET A 52 -9.695 -2.401 9.342 1.00 0.00 C ATOM 691 C MET A 52 -8.235 -2.773 9.105 1.00 0.00 C ATOM 692 O MET A 52 -7.394 -1.895 8.955 1.00 0.00 O ATOM 693 CB MET A 52 -10.626 -3.431 8.689 1.00 0.00 C ATOM 694 CG MET A 52 -11.085 -4.517 9.654 1.00 0.00 C ATOM 695 SD MET A 52 -11.977 -5.857 8.840 1.00 0.00 S ATOM 696 CE MET A 52 -10.626 -6.733 8.059 1.00 0.00 C ATOM 0 H MET A 52 -9.964 -1.015 7.788 1.00 0.00 H new ATOM 0 HA MET A 52 -9.897 -2.400 10.413 1.00 0.00 H new ATOM 0 HB2 MET A 52 -11.499 -2.918 8.286 1.00 0.00 H new ATOM 0 HB3 MET A 52 -10.112 -3.895 7.847 1.00 0.00 H new ATOM 0 HG2 MET A 52 -10.217 -4.927 10.169 1.00 0.00 H new ATOM 0 HG3 MET A 52 -11.726 -4.071 10.415 1.00 0.00 H new ATOM 0 HE1 MET A 52 -10.975 -7.706 7.712 1.00 0.00 H new ATOM 0 HE2 MET A 52 -10.260 -6.155 7.210 1.00 0.00 H new ATOM 0 HE3 MET A 52 -9.819 -6.872 8.778 1.00 0.00 H new ATOM 704 N GLN A 53 -7.927 -4.060 9.082 1.00 0.00 N ATOM 705 CA GLN A 53 -6.559 -4.501 8.860 1.00 0.00 C ATOM 706 C GLN A 53 -6.530 -5.818 8.095 1.00 0.00 C ATOM 707 O GLN A 53 -7.578 -6.412 7.836 1.00 0.00 O ATOM 708 CB GLN A 53 -5.820 -4.655 10.195 1.00 0.00 C ATOM 709 CG GLN A 53 -6.479 -5.625 11.157 1.00 0.00 C ATOM 710 CD GLN A 53 -5.672 -5.811 12.429 1.00 0.00 C ATOM 711 OE1 GLN A 53 -4.444 -5.732 12.416 1.00 0.00 O ATOM 712 NE2 GLN A 53 -6.353 -6.040 13.538 1.00 0.00 N ATOM 0 H GLN A 53 -8.601 -4.814 9.214 1.00 0.00 H new ATOM 0 HA GLN A 53 -6.055 -3.742 8.262 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -4.802 -4.990 9.998 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -5.747 -3.678 10.673 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.475 -5.262 11.411 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.607 -6.590 10.666 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -7.371 -6.099 13.508 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -5.861 -6.158 14.424 1.00 0.00 H new ATOM 719 N ASN A 54 -5.323 -6.252 7.726 1.00 0.00 N ATOM 720 CA ASN A 54 -5.117 -7.517 7.017 1.00 0.00 C ATOM 721 C ASN A 54 -5.789 -7.530 5.644 1.00 0.00 C ATOM 722 O ASN A 54 -6.435 -8.512 5.268 1.00 0.00 O ATOM 723 CB ASN A 54 -5.637 -8.683 7.866 1.00 0.00 C ATOM 724 CG ASN A 54 -4.844 -8.882 9.141 1.00 0.00 C ATOM 725 OD1 ASN A 54 -3.632 -8.681 9.170 1.00 0.00 O ATOM 726 ND2 ASN A 54 -5.530 -9.258 10.208 1.00 0.00 N ATOM 0 H ASN A 54 -4.462 -5.737 7.910 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.045 -7.627 6.854 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.682 -8.505 8.118 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.603 -9.599 7.276 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -5.053 -9.392 11.100 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -6.536 -9.414 10.139 1.00 0.00 H new ATOM 732 N PHE A 55 -5.627 -6.453 4.883 1.00 0.00 N ATOM 733 CA PHE A 55 -6.226 -6.375 3.554 1.00 0.00 C ATOM 734 C PHE A 55 -5.505 -7.304 2.580 1.00 0.00 C ATOM 735 O PHE A 55 -6.106 -7.814 1.641 1.00 0.00 O ATOM 736 CB PHE A 55 -6.212 -4.937 3.018 1.00 0.00 C ATOM 737 CG PHE A 55 -4.889 -4.484 2.459 1.00 0.00 C ATOM 738 CD1 PHE A 55 -3.830 -4.200 3.298 1.00 0.00 C ATOM 739 CD2 PHE A 55 -4.714 -4.335 1.092 1.00 0.00 C ATOM 740 CE1 PHE A 55 -2.617 -3.775 2.789 1.00 0.00 C ATOM 741 CE2 PHE A 55 -3.504 -3.912 0.576 1.00 0.00 C ATOM 742 CZ PHE A 55 -2.454 -3.631 1.426 1.00 0.00 C ATOM 0 H PHE A 55 -5.092 -5.630 5.159 1.00 0.00 H new ATOM 0 HA PHE A 55 -7.264 -6.695 3.643 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -6.969 -4.847 2.239 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.501 -4.261 3.823 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -3.951 -4.311 4.365 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.533 -4.552 0.422 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.797 -3.556 3.457 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.380 -3.801 -0.491 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.507 -3.299 1.026 1.00 0.00 H new ATOM 751 N SER A 56 -4.221 -7.541 2.827 1.00 0.00 N ATOM 752 CA SER A 56 -3.417 -8.399 1.964 1.00 0.00 C ATOM 753 C SER A 56 -3.976 -9.819 1.934 1.00 0.00 C ATOM 754 O SER A 56 -3.996 -10.472 0.891 1.00 0.00 O ATOM 755 CB SER A 56 -1.968 -8.407 2.449 1.00 0.00 C ATOM 756 OG SER A 56 -1.894 -8.740 3.826 1.00 0.00 O ATOM 0 H SER A 56 -3.713 -7.150 3.620 1.00 0.00 H new ATOM 0 HA SER A 56 -3.452 -8.003 0.949 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.390 -9.124 1.866 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.520 -7.427 2.284 1.00 0.00 H new ATOM 0 HG SER A 56 -0.989 -9.051 4.039 1.00 0.00 H new ATOM 761 N HIS A 57 -4.458 -10.277 3.080 1.00 0.00 N ATOM 762 CA HIS A 57 -5.025 -11.615 3.198 1.00 0.00 C ATOM 763 C HIS A 57 -6.463 -11.647 2.699 1.00 0.00 C ATOM 764 O HIS A 57 -7.090 -12.702 2.658 1.00 0.00 O ATOM 765 CB HIS A 57 -4.969 -12.103 4.646 1.00 0.00 C ATOM 766 CG HIS A 57 -3.607 -12.552 5.077 1.00 0.00 C ATOM 767 ND1 HIS A 57 -2.863 -11.906 6.042 1.00 0.00 N ATOM 768 CD2 HIS A 57 -2.857 -13.601 4.670 1.00 0.00 C ATOM 769 CE1 HIS A 57 -1.716 -12.540 6.206 1.00 0.00 C ATOM 770 NE2 HIS A 57 -1.689 -13.571 5.386 1.00 0.00 N ATOM 0 H HIS A 57 -4.468 -9.739 3.947 1.00 0.00 H new ATOM 0 HA HIS A 57 -4.426 -12.281 2.577 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -5.302 -11.300 5.304 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -5.670 -12.928 4.769 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -3.128 -14.328 3.919 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -0.933 -12.261 6.895 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -0.923 -14.239 5.298 1.00 0.00 H new ATOM 778 N SER A 58 -6.979 -10.489 2.320 1.00 0.00 N ATOM 779 CA SER A 58 -8.345 -10.396 1.838 1.00 0.00 C ATOM 780 C SER A 58 -8.395 -9.881 0.397 1.00 0.00 C ATOM 781 O SER A 58 -9.456 -9.517 -0.101 1.00 0.00 O ATOM 782 CB SER A 58 -9.156 -9.478 2.759 1.00 0.00 C ATOM 783 OG SER A 58 -8.978 -9.838 4.123 1.00 0.00 O ATOM 0 H SER A 58 -6.473 -9.603 2.337 1.00 0.00 H new ATOM 0 HA SER A 58 -8.780 -11.395 1.847 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.848 -8.443 2.609 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.213 -9.537 2.499 1.00 0.00 H new ATOM 0 HG SER A 58 -8.176 -9.399 4.475 1.00 0.00 H new ATOM 788 N SER A 59 -7.249 -9.847 -0.279 1.00 0.00 N ATOM 789 CA SER A 59 -7.211 -9.378 -1.661 1.00 0.00 C ATOM 790 C SER A 59 -6.164 -10.133 -2.479 1.00 0.00 C ATOM 791 O SER A 59 -5.206 -10.684 -1.931 1.00 0.00 O ATOM 792 CB SER A 59 -6.955 -7.867 -1.711 1.00 0.00 C ATOM 793 OG SER A 59 -5.837 -7.499 -0.924 1.00 0.00 O ATOM 0 H SER A 59 -6.347 -10.134 0.101 1.00 0.00 H new ATOM 0 HA SER A 59 -8.185 -9.579 -2.108 1.00 0.00 H new ATOM 0 HB2 SER A 59 -6.790 -7.560 -2.744 1.00 0.00 H new ATOM 0 HB3 SER A 59 -7.839 -7.336 -1.358 1.00 0.00 H new ATOM 0 HG SER A 59 -6.124 -7.345 0.000 1.00 0.00 H new ATOM 798 N GLU A 60 -6.377 -10.171 -3.788 1.00 0.00 N ATOM 799 CA GLU A 60 -5.477 -10.847 -4.710 1.00 0.00 C ATOM 800 C GLU A 60 -4.845 -9.854 -5.678 1.00 0.00 C ATOM 801 O GLU A 60 -5.472 -8.858 -6.046 1.00 0.00 O ATOM 802 CB GLU A 60 -6.232 -11.924 -5.493 1.00 0.00 C ATOM 803 CG GLU A 60 -6.489 -13.192 -4.696 1.00 0.00 C ATOM 804 CD GLU A 60 -5.205 -13.902 -4.328 1.00 0.00 C ATOM 805 OE1 GLU A 60 -4.660 -14.632 -5.182 1.00 0.00 O ATOM 806 OE2 GLU A 60 -4.722 -13.724 -3.195 1.00 0.00 O ATOM 0 H GLU A 60 -7.180 -9.733 -4.240 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.685 -11.316 -4.127 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.186 -11.516 -5.827 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.662 -12.177 -6.387 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.039 -12.944 -3.788 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.120 -13.864 -5.278 1.00 0.00 H new ATOM 811 N ASP A 61 -3.610 -10.148 -6.085 1.00 0.00 N ATOM 812 CA ASP A 61 -2.850 -9.299 -7.009 1.00 0.00 C ATOM 813 C ASP A 61 -2.774 -7.865 -6.502 1.00 0.00 C ATOM 814 O ASP A 61 -3.502 -6.980 -6.955 1.00 0.00 O ATOM 815 CB ASP A 61 -3.444 -9.335 -8.419 1.00 0.00 C ATOM 816 CG ASP A 61 -2.668 -8.467 -9.395 1.00 0.00 C ATOM 817 OD1 ASP A 61 -1.428 -8.616 -9.482 1.00 0.00 O ATOM 818 OD2 ASP A 61 -3.293 -7.630 -10.079 1.00 0.00 O ATOM 0 H ASP A 61 -3.106 -10.982 -5.784 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.838 -9.700 -7.058 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.454 -10.363 -8.780 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.480 -8.999 -8.383 1.00 0.00 H new ATOM 822 N ILE A 62 -1.891 -7.649 -5.548 1.00 0.00 N ATOM 823 CA ILE A 62 -1.702 -6.335 -4.966 1.00 0.00 C ATOM 824 C ILE A 62 -0.524 -5.641 -5.633 1.00 0.00 C ATOM 825 O ILE A 62 0.606 -6.123 -5.569 1.00 0.00 O ATOM 826 CB ILE A 62 -1.463 -6.439 -3.446 1.00 0.00 C ATOM 827 CG1 ILE A 62 -2.624 -7.191 -2.788 1.00 0.00 C ATOM 828 CG2 ILE A 62 -1.303 -5.054 -2.836 1.00 0.00 C ATOM 829 CD1 ILE A 62 -2.420 -7.461 -1.314 1.00 0.00 C ATOM 0 H ILE A 62 -1.288 -8.373 -5.157 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.606 -5.749 -5.131 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.542 -6.994 -3.269 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.539 -6.613 -2.919 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.769 -8.140 -3.305 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.135 -5.146 -1.763 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.452 -4.551 -3.294 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -2.207 -4.472 -3.013 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.284 -7.996 -0.919 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.524 -8.066 -1.175 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.305 -6.516 -0.783 1.00 0.00 H new ATOM 840 N LYS A 63 -0.790 -4.521 -6.288 1.00 0.00 N ATOM 841 CA LYS A 63 0.254 -3.787 -6.976 1.00 0.00 C ATOM 842 C LYS A 63 -0.038 -2.292 -6.955 1.00 0.00 C ATOM 843 O LYS A 63 -1.188 -1.878 -6.867 1.00 0.00 O ATOM 844 CB LYS A 63 0.364 -4.290 -8.412 1.00 0.00 C ATOM 845 CG LYS A 63 1.740 -4.093 -9.025 1.00 0.00 C ATOM 846 CD LYS A 63 1.908 -4.907 -10.300 1.00 0.00 C ATOM 847 CE LYS A 63 1.537 -6.369 -10.088 1.00 0.00 C ATOM 848 NZ LYS A 63 0.117 -6.643 -10.454 1.00 0.00 N ATOM 0 H LYS A 63 -1.718 -4.104 -6.356 1.00 0.00 H new ATOM 0 HA LYS A 63 1.202 -3.951 -6.464 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.114 -5.351 -8.436 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.375 -3.774 -9.026 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.893 -3.036 -9.245 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.505 -4.383 -8.304 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.284 -4.484 -11.087 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.941 -4.839 -10.641 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.194 -7.000 -10.686 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.701 -6.637 -9.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.300 -7.298 -9.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.419 -5.752 -10.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.079 -7.071 -11.401 1.00 0.00 H new ATOM 858 N LEU A 64 1.010 -1.492 -7.042 1.00 0.00 N ATOM 859 CA LEU A 64 0.877 -0.044 -7.016 1.00 0.00 C ATOM 860 C LEU A 64 0.530 0.498 -8.396 1.00 0.00 C ATOM 861 O LEU A 64 1.141 0.130 -9.398 1.00 0.00 O ATOM 862 CB LEU A 64 2.176 0.566 -6.498 1.00 0.00 C ATOM 863 CG LEU A 64 2.461 0.264 -5.027 1.00 0.00 C ATOM 864 CD1 LEU A 64 3.928 0.489 -4.700 1.00 0.00 C ATOM 865 CD2 LEU A 64 1.586 1.126 -4.135 1.00 0.00 C ATOM 0 H LEU A 64 1.971 -1.823 -7.132 1.00 0.00 H new ATOM 0 HA LEU A 64 0.060 0.230 -6.348 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.005 0.196 -7.101 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.138 1.647 -6.636 1.00 0.00 H new ATOM 0 HG LEU A 64 2.229 -0.785 -4.844 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.104 0.267 -3.647 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.543 -0.166 -5.317 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.190 1.528 -4.901 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.799 0.901 -3.090 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.793 2.178 -4.329 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.537 0.918 -4.344 1.00 0.00 H new ATOM 876 N GLU A 65 -0.461 1.382 -8.427 1.00 0.00 N ATOM 877 CA GLU A 65 -0.933 1.976 -9.670 1.00 0.00 C ATOM 878 C GLU A 65 -0.128 3.216 -10.043 1.00 0.00 C ATOM 879 O GLU A 65 0.526 3.248 -11.083 1.00 0.00 O ATOM 880 CB GLU A 65 -2.417 2.333 -9.544 1.00 0.00 C ATOM 881 CG GLU A 65 -2.967 3.080 -10.747 1.00 0.00 C ATOM 882 CD GLU A 65 -4.446 3.381 -10.627 1.00 0.00 C ATOM 883 OE1 GLU A 65 -5.265 2.537 -11.045 1.00 0.00 O ATOM 884 OE2 GLU A 65 -4.793 4.469 -10.125 1.00 0.00 O ATOM 0 H GLU A 65 -0.957 1.705 -7.596 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.799 1.242 -10.465 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.991 1.418 -9.401 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.561 2.942 -8.652 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.420 4.015 -10.869 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.793 2.489 -11.646 1.00 0.00 H new ATOM 889 N GLU A 66 -0.162 4.229 -9.188 1.00 0.00 N ATOM 890 CA GLU A 66 0.548 5.474 -9.453 1.00 0.00 C ATOM 891 C GLU A 66 2.004 5.388 -9.015 1.00 0.00 C ATOM 892 O GLU A 66 2.574 6.363 -8.529 1.00 0.00 O ATOM 893 CB GLU A 66 -0.135 6.635 -8.739 1.00 0.00 C ATOM 894 CG GLU A 66 -1.639 6.606 -8.869 1.00 0.00 C ATOM 895 CD GLU A 66 -2.301 7.891 -8.417 1.00 0.00 C ATOM 896 OE1 GLU A 66 -2.156 8.265 -7.236 1.00 0.00 O ATOM 897 OE2 GLU A 66 -2.981 8.532 -9.245 1.00 0.00 O ATOM 0 H GLU A 66 -0.673 4.214 -8.305 1.00 0.00 H new ATOM 0 HA GLU A 66 0.524 5.645 -10.529 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.133 6.613 -7.683 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.241 7.575 -9.144 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.904 6.415 -9.909 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.032 5.776 -8.282 1.00 0.00 H new ATOM 902 N GLY A 67 2.586 4.208 -9.165 1.00 0.00 N ATOM 903 CA GLY A 67 3.975 3.996 -8.798 1.00 0.00 C ATOM 904 C GLY A 67 4.237 4.144 -7.313 1.00 0.00 C ATOM 905 O GLY A 67 5.389 4.237 -6.894 1.00 0.00 O ATOM 0 H GLY A 67 2.117 3.383 -9.539 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.278 2.998 -9.115 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.599 4.706 -9.341 1.00 0.00 H new ATOM 909 N GLY A 68 3.176 4.173 -6.513 1.00 0.00 N ATOM 910 CA GLY A 68 3.348 4.306 -5.082 1.00 0.00 C ATOM 911 C GLY A 68 2.321 5.217 -4.443 1.00 0.00 C ATOM 912 O GLY A 68 2.022 5.081 -3.261 1.00 0.00 O ATOM 0 H GLY A 68 2.208 4.107 -6.829 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.287 3.320 -4.621 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.346 4.693 -4.876 1.00 0.00 H new ATOM 916 N ARG A 69 1.765 6.134 -5.225 1.00 0.00 N ATOM 917 CA ARG A 69 0.765 7.070 -4.712 1.00 0.00 C ATOM 918 C ARG A 69 -0.575 6.372 -4.495 1.00 0.00 C ATOM 919 O ARG A 69 -1.409 6.830 -3.712 1.00 0.00 O ATOM 920 CB ARG A 69 0.583 8.231 -5.695 1.00 0.00 C ATOM 921 CG ARG A 69 1.456 9.448 -5.434 1.00 0.00 C ATOM 922 CD ARG A 69 0.890 10.304 -4.314 1.00 0.00 C ATOM 923 NE ARG A 69 1.314 11.696 -4.421 1.00 0.00 N ATOM 924 CZ ARG A 69 0.527 12.685 -4.842 1.00 0.00 C ATOM 925 NH1 ARG A 69 -0.734 12.440 -5.186 1.00 0.00 N ATOM 926 NH2 ARG A 69 1.003 13.922 -4.907 1.00 0.00 N ATOM 0 H ARG A 69 1.987 6.252 -6.214 1.00 0.00 H new ATOM 0 HA ARG A 69 1.118 7.452 -3.754 1.00 0.00 H new ATOM 0 HB2 ARG A 69 0.787 7.868 -6.702 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -0.461 8.543 -5.674 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.464 9.126 -5.174 1.00 0.00 H new ATOM 0 HG3 ARG A 69 1.536 10.043 -6.344 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -0.199 10.254 -4.335 1.00 0.00 H new ATOM 0 HD3 ARG A 69 1.209 9.901 -3.353 1.00 0.00 H new ATOM 0 HE ARG A 69 2.272 11.926 -4.157 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -1.103 11.491 -5.128 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -1.332 13.201 -5.508 1.00 0.00 H new ATOM 0 HH21 ARG A 69 1.968 14.112 -4.635 1.00 0.00 H new ATOM 0 HH22 ARG A 69 0.404 14.683 -5.229 1.00 0.00 H new ATOM 937 N LYS A 70 -0.765 5.250 -5.173 1.00 0.00 N ATOM 938 CA LYS A 70 -2.013 4.510 -5.076 1.00 0.00 C ATOM 939 C LYS A 70 -1.762 3.011 -5.190 1.00 0.00 C ATOM 940 O LYS A 70 -0.905 2.576 -5.961 1.00 0.00 O ATOM 941 CB LYS A 70 -2.953 4.972 -6.185 1.00 0.00 C ATOM 942 CG LYS A 70 -4.395 4.534 -6.014 1.00 0.00 C ATOM 943 CD LYS A 70 -5.284 5.182 -7.060 1.00 0.00 C ATOM 944 CE LYS A 70 -6.733 4.752 -6.920 1.00 0.00 C ATOM 945 NZ LYS A 70 -7.617 5.492 -7.860 1.00 0.00 N ATOM 0 H LYS A 70 -0.072 4.833 -5.795 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.468 4.702 -4.104 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.922 6.060 -6.240 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.583 4.594 -7.138 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.462 3.449 -6.095 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.745 4.801 -5.017 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.217 6.266 -6.971 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.923 4.921 -8.055 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.815 3.682 -7.109 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.066 4.922 -5.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.599 5.173 -7.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.557 6.511 -7.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.314 5.310 -8.838 1.00 0.00 H new ATOM 955 N LEU A 71 -2.518 2.237 -4.430 1.00 0.00 N ATOM 956 CA LEU A 71 -2.393 0.787 -4.430 1.00 0.00 C ATOM 957 C LEU A 71 -3.653 0.166 -5.012 1.00 0.00 C ATOM 958 O LEU A 71 -4.765 0.577 -4.683 1.00 0.00 O ATOM 959 CB LEU A 71 -2.143 0.290 -3.000 1.00 0.00 C ATOM 960 CG LEU A 71 -1.946 -1.221 -2.825 1.00 0.00 C ATOM 961 CD1 LEU A 71 -1.054 -1.492 -1.624 1.00 0.00 C ATOM 962 CD2 LEU A 71 -3.285 -1.926 -2.640 1.00 0.00 C ATOM 0 H LEU A 71 -3.234 2.593 -3.797 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.546 0.490 -5.049 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.259 0.796 -2.613 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.985 0.598 -2.380 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.471 -1.610 -3.726 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.919 -2.567 -1.506 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.084 -1.019 -1.777 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.519 -1.084 -0.726 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.119 -2.996 -2.518 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.784 -1.533 -1.754 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.911 -1.754 -3.515 1.00 0.00 H new ATOM 973 N THR A 72 -3.477 -0.811 -5.881 1.00 0.00 N ATOM 974 CA THR A 72 -4.599 -1.484 -6.506 1.00 0.00 C ATOM 975 C THR A 72 -4.496 -2.992 -6.333 1.00 0.00 C ATOM 976 O THR A 72 -3.411 -3.568 -6.437 1.00 0.00 O ATOM 977 CB THR A 72 -4.691 -1.143 -8.003 1.00 0.00 C ATOM 978 OG1 THR A 72 -3.387 -1.194 -8.601 1.00 0.00 O ATOM 979 CG2 THR A 72 -5.303 0.235 -8.202 1.00 0.00 C ATOM 0 H THR A 72 -2.563 -1.158 -6.171 1.00 0.00 H new ATOM 0 HA THR A 72 -5.503 -1.131 -6.010 1.00 0.00 H new ATOM 0 HB THR A 72 -5.333 -1.879 -8.486 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.823 -1.821 -8.102 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.359 0.458 -9.268 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.305 0.253 -7.774 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.684 0.983 -7.707 1.00 0.00 H new ATOM 987 N CYS A 73 -5.626 -3.614 -6.057 1.00 0.00 N ATOM 988 CA CYS A 73 -5.692 -5.053 -5.868 1.00 0.00 C ATOM 989 C CYS A 73 -7.132 -5.509 -5.997 1.00 0.00 C ATOM 990 O CYS A 73 -8.042 -4.682 -6.099 1.00 0.00 O ATOM 991 CB CYS A 73 -5.143 -5.440 -4.492 1.00 0.00 C ATOM 992 SG CYS A 73 -6.008 -4.677 -3.098 1.00 0.00 S ATOM 0 H CYS A 73 -6.523 -3.139 -5.957 1.00 0.00 H new ATOM 0 HA CYS A 73 -5.083 -5.540 -6.630 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -5.194 -6.524 -4.386 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -4.089 -5.164 -4.444 1.00 0.00 H new ATOM 0 HG CYS A 73 -5.467 -5.071 -1.983 1.00 0.00 H new ATOM 997 N ARG A 74 -7.353 -6.811 -6.014 1.00 0.00 N ATOM 998 CA ARG A 74 -8.701 -7.327 -6.107 1.00 0.00 C ATOM 999 C ARG A 74 -9.121 -7.947 -4.787 1.00 0.00 C ATOM 1000 O ARG A 74 -8.759 -9.084 -4.479 1.00 0.00 O ATOM 1001 CB ARG A 74 -8.835 -8.342 -7.243 1.00 0.00 C ATOM 1002 CG ARG A 74 -10.219 -8.975 -7.316 1.00 0.00 C ATOM 1003 CD ARG A 74 -10.329 -10.001 -8.432 1.00 0.00 C ATOM 1004 NE ARG A 74 -11.661 -10.601 -8.478 1.00 0.00 N ATOM 1005 CZ ARG A 74 -11.974 -11.683 -9.194 1.00 0.00 C ATOM 1006 NH1 ARG A 74 -11.061 -12.274 -9.952 1.00 0.00 N ATOM 1007 NH2 ARG A 74 -13.213 -12.161 -9.159 1.00 0.00 N ATOM 0 H ARG A 74 -6.623 -7.522 -5.965 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.364 -6.491 -6.330 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.616 -7.849 -8.190 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.089 -9.126 -7.112 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.448 -9.453 -6.363 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -10.965 -8.195 -7.469 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -10.110 -9.525 -9.388 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -9.582 -10.781 -8.285 1.00 0.00 H new ATOM 0 HE ARG A 74 -12.400 -10.164 -7.927 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -10.112 -11.902 -9.991 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -11.308 -13.101 -10.496 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -13.921 -11.701 -8.586 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -13.456 -12.988 -9.705 1.00 0.00 H new ATOM 1018 N PRO A 75 -9.875 -7.190 -3.983 1.00 0.00 N ATOM 1019 CA PRO A 75 -10.367 -7.655 -2.690 1.00 0.00 C ATOM 1020 C PRO A 75 -11.369 -8.779 -2.867 1.00 0.00 C ATOM 1021 O PRO A 75 -12.309 -8.659 -3.650 1.00 0.00 O ATOM 1022 CB PRO A 75 -11.042 -6.422 -2.093 1.00 0.00 C ATOM 1023 CG PRO A 75 -11.400 -5.584 -3.268 1.00 0.00 C ATOM 1024 CD PRO A 75 -10.319 -5.821 -4.281 1.00 0.00 C ATOM 0 HA PRO A 75 -9.574 -8.053 -2.057 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -11.926 -6.694 -1.516 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -10.371 -5.891 -1.417 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -12.376 -5.863 -3.665 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -11.456 -4.530 -2.995 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -10.696 -5.732 -5.300 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.506 -5.102 -4.178 1.00 0.00 H new ATOM 1029 N LYS A 76 -11.142 -9.872 -2.165 1.00 0.00 N ATOM 1030 CA LYS A 76 -12.005 -11.030 -2.245 1.00 0.00 C ATOM 1031 C LYS A 76 -12.595 -11.376 -0.886 1.00 0.00 C ATOM 1032 O LYS A 76 -11.921 -11.260 0.133 1.00 0.00 O ATOM 1033 CB LYS A 76 -11.222 -12.216 -2.814 1.00 0.00 C ATOM 1034 CG LYS A 76 -9.834 -12.395 -2.201 1.00 0.00 C ATOM 1035 CD LYS A 76 -9.796 -13.462 -1.117 1.00 0.00 C ATOM 1036 CE LYS A 76 -9.419 -14.822 -1.691 1.00 0.00 C ATOM 1037 NZ LYS A 76 -9.206 -15.839 -0.627 1.00 0.00 N ATOM 0 H LYS A 76 -10.355 -9.980 -1.525 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.836 -10.797 -2.911 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.798 -13.128 -2.656 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.118 -12.087 -3.891 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.127 -12.659 -2.987 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.503 -11.445 -1.780 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.077 -13.177 -0.349 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.771 -13.527 -0.633 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.206 -15.162 -2.364 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.511 -14.725 -2.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -8.951 -16.749 -1.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.437 -15.529 0.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.080 -15.952 -0.075 1.00 0.00 H new ATOM 1047 N THR A 77 -13.859 -11.790 -0.868 1.00 0.00 N ATOM 1048 CA THR A 77 -14.491 -12.174 0.380 1.00 0.00 C ATOM 1049 C THR A 77 -13.882 -13.483 0.837 1.00 0.00 C ATOM 1050 O THR A 77 -13.762 -14.424 0.046 1.00 0.00 O ATOM 1051 CB THR A 77 -16.027 -12.332 0.257 1.00 0.00 C ATOM 1052 OG1 THR A 77 -16.596 -12.626 1.541 1.00 0.00 O ATOM 1053 CG2 THR A 77 -16.403 -13.435 -0.722 1.00 0.00 C ATOM 0 H THR A 77 -14.454 -11.866 -1.693 1.00 0.00 H new ATOM 0 HA THR A 77 -14.317 -11.378 1.104 1.00 0.00 H new ATOM 0 HB THR A 77 -16.423 -11.389 -0.120 1.00 0.00 H new ATOM 0 HG1 THR A 77 -17.567 -12.722 1.454 1.00 0.00 H new ATOM 0 HG21 THR A 77 -17.488 -13.515 -0.781 1.00 0.00 H new ATOM 0 HG22 THR A 77 -16.003 -13.198 -1.708 1.00 0.00 H new ATOM 0 HG23 THR A 77 -15.987 -14.383 -0.380 1.00 0.00 H new ATOM 1061 N VAL A 78 -13.492 -13.529 2.102 1.00 0.00 N ATOM 1062 CA VAL A 78 -12.865 -14.709 2.679 1.00 0.00 C ATOM 1063 C VAL A 78 -13.853 -15.860 2.845 1.00 0.00 C ATOM 1064 O VAL A 78 -13.467 -16.971 3.207 1.00 0.00 O ATOM 1065 CB VAL A 78 -12.214 -14.390 4.038 1.00 0.00 C ATOM 1066 CG1 VAL A 78 -11.078 -13.402 3.850 1.00 0.00 C ATOM 1067 CG2 VAL A 78 -13.242 -13.850 5.023 1.00 0.00 C ATOM 0 H VAL A 78 -13.600 -12.753 2.755 1.00 0.00 H new ATOM 0 HA VAL A 78 -12.091 -15.020 1.977 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.810 -15.313 4.453 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.623 -13.182 4.816 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.328 -13.832 3.186 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.465 -12.481 3.413 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.756 -13.633 5.974 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -13.683 -12.936 4.624 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -14.024 -14.593 5.177 1.00 0.00 H new ATOM 1077 N ASP A 79 -15.126 -15.590 2.587 1.00 0.00 N ATOM 1078 CA ASP A 79 -16.157 -16.614 2.696 1.00 0.00 C ATOM 1079 C ASP A 79 -15.991 -17.653 1.590 1.00 0.00 C ATOM 1080 O ASP A 79 -16.241 -18.839 1.794 1.00 0.00 O ATOM 1081 CB ASP A 79 -17.547 -15.983 2.626 1.00 0.00 C ATOM 1082 CG ASP A 79 -18.656 -17.016 2.655 1.00 0.00 C ATOM 1083 OD1 ASP A 79 -18.784 -17.733 3.667 1.00 0.00 O ATOM 1084 OD2 ASP A 79 -19.416 -17.099 1.671 1.00 0.00 O ATOM 0 H ASP A 79 -15.469 -14.673 2.301 1.00 0.00 H new ATOM 0 HA ASP A 79 -16.050 -17.110 3.661 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -17.673 -15.296 3.463 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -17.629 -15.392 1.713 1.00 0.00 H new ATOM 1088 N GLY A 80 -15.539 -17.202 0.428 1.00 0.00 N ATOM 1089 CA GLY A 80 -15.341 -18.109 -0.690 1.00 0.00 C ATOM 1090 C GLY A 80 -14.132 -17.747 -1.530 1.00 0.00 C ATOM 1091 O GLY A 80 -13.538 -18.602 -2.186 1.00 0.00 O ATOM 0 H GLY A 80 -15.306 -16.227 0.238 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.225 -19.125 -0.312 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.231 -18.103 -1.320 1.00 0.00 H new ATOM 1095 N GLY A 81 -13.760 -16.477 -1.501 1.00 0.00 N ATOM 1096 CA GLY A 81 -12.624 -16.015 -2.269 1.00 0.00 C ATOM 1097 C GLY A 81 -13.043 -15.326 -3.547 1.00 0.00 C ATOM 1098 O GLY A 81 -12.241 -15.151 -4.461 1.00 0.00 O ATOM 0 H GLY A 81 -14.228 -15.754 -0.955 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.034 -15.327 -1.664 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -11.981 -16.862 -2.508 1.00 0.00 H new ATOM 1102 N PHE A 82 -14.303 -14.928 -3.602 1.00 0.00 N ATOM 1103 CA PHE A 82 -14.848 -14.268 -4.788 1.00 0.00 C ATOM 1104 C PHE A 82 -15.161 -12.817 -4.473 1.00 0.00 C ATOM 1105 O PHE A 82 -15.409 -12.506 -3.316 1.00 0.00 O ATOM 1106 CB PHE A 82 -16.108 -15.000 -5.276 1.00 0.00 C ATOM 1107 CG PHE A 82 -17.113 -15.286 -4.190 1.00 0.00 C ATOM 1108 CD1 PHE A 82 -17.046 -16.465 -3.465 1.00 0.00 C ATOM 1109 CD2 PHE A 82 -18.118 -14.378 -3.892 1.00 0.00 C ATOM 1110 CE1 PHE A 82 -17.961 -16.733 -2.466 1.00 0.00 C ATOM 1111 CE2 PHE A 82 -19.034 -14.641 -2.890 1.00 0.00 C ATOM 1112 CZ PHE A 82 -18.954 -15.821 -2.176 1.00 0.00 C ATOM 0 H PHE A 82 -14.972 -15.048 -2.842 1.00 0.00 H new ATOM 0 HA PHE A 82 -14.105 -14.301 -5.585 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -16.587 -14.400 -6.050 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -15.812 -15.941 -5.739 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -16.269 -17.183 -3.684 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -18.186 -13.455 -4.449 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -17.899 -17.658 -1.911 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -19.811 -13.925 -2.666 1.00 0.00 H new ATOM 0 HZ PHE A 82 -19.668 -16.029 -1.392 1.00 0.00 H new ATOM 1121 N ARG A 83 -15.133 -11.942 -5.489 1.00 0.00 N ATOM 1122 CA ARG A 83 -15.432 -10.514 -5.304 1.00 0.00 C ATOM 1123 C ARG A 83 -15.023 -9.694 -6.533 1.00 0.00 C ATOM 1124 O ARG A 83 -14.907 -10.227 -7.641 1.00 0.00 O ATOM 1125 CB ARG A 83 -14.699 -9.969 -4.092 1.00 0.00 C ATOM 1126 CG ARG A 83 -15.546 -9.134 -3.148 1.00 0.00 C ATOM 1127 CD ARG A 83 -16.475 -9.996 -2.313 1.00 0.00 C ATOM 1128 NE ARG A 83 -17.728 -10.290 -3.004 1.00 0.00 N ATOM 1129 CZ ARG A 83 -18.808 -10.806 -2.417 1.00 0.00 C ATOM 1130 NH1 ARG A 83 -18.807 -11.069 -1.115 1.00 0.00 N ATOM 1131 NH2 ARG A 83 -19.899 -11.035 -3.132 1.00 0.00 N ATOM 0 H ARG A 83 -14.906 -12.199 -6.450 1.00 0.00 H new ATOM 0 HA ARG A 83 -16.509 -10.427 -5.158 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.279 -10.806 -3.534 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.861 -9.363 -4.436 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -14.896 -8.557 -2.490 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -16.133 -8.418 -3.723 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -15.973 -10.930 -2.062 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -16.691 -9.488 -1.373 1.00 0.00 H new ATOM 0 HE ARG A 83 -17.780 -10.087 -4.002 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -17.976 -10.876 -0.556 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -19.638 -11.464 -0.674 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -19.911 -10.817 -4.128 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -20.727 -11.430 -2.686 1.00 0.00 H new ATOM 1142 N GLU A 84 -14.757 -8.408 -6.306 1.00 0.00 N ATOM 1143 CA GLU A 84 -14.393 -7.471 -7.371 1.00 0.00 C ATOM 1144 C GLU A 84 -13.052 -6.807 -7.088 1.00 0.00 C ATOM 1145 O GLU A 84 -12.497 -6.962 -6.009 1.00 0.00 O ATOM 1146 CB GLU A 84 -15.491 -6.408 -7.517 1.00 0.00 C ATOM 1147 CG GLU A 84 -16.107 -5.965 -6.200 1.00 0.00 C ATOM 1148 CD GLU A 84 -17.329 -5.097 -6.410 1.00 0.00 C ATOM 1149 OE1 GLU A 84 -18.434 -5.653 -6.593 1.00 0.00 O ATOM 1150 OE2 GLU A 84 -17.191 -3.857 -6.417 1.00 0.00 O ATOM 0 H GLU A 84 -14.788 -7.985 -5.378 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.298 -8.028 -8.303 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -15.073 -5.537 -8.021 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -16.279 -6.801 -8.160 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -16.382 -6.843 -5.615 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -15.366 -5.414 -5.620 1.00 0.00 H new ATOM 1155 N ARG A 85 -12.529 -6.080 -8.072 1.00 0.00 N ATOM 1156 CA ARG A 85 -11.248 -5.396 -7.928 1.00 0.00 C ATOM 1157 C ARG A 85 -11.469 -3.938 -7.540 1.00 0.00 C ATOM 1158 O ARG A 85 -12.546 -3.389 -7.780 1.00 0.00 O ATOM 1159 CB ARG A 85 -10.440 -5.499 -9.230 1.00 0.00 C ATOM 1160 CG ARG A 85 -9.046 -4.892 -9.150 1.00 0.00 C ATOM 1161 CD ARG A 85 -8.216 -5.230 -10.380 1.00 0.00 C ATOM 1162 NE ARG A 85 -6.902 -4.586 -10.349 1.00 0.00 N ATOM 1163 CZ ARG A 85 -5.747 -5.243 -10.218 1.00 0.00 C ATOM 1164 NH1 ARG A 85 -5.730 -6.566 -10.118 1.00 0.00 N ATOM 1165 NH2 ARG A 85 -4.604 -4.574 -10.204 1.00 0.00 N ATOM 0 H ARG A 85 -12.975 -5.950 -8.980 1.00 0.00 H new ATOM 0 HA ARG A 85 -10.678 -5.878 -7.134 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -10.351 -6.549 -9.507 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -10.994 -5.005 -10.028 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -9.125 -3.809 -9.050 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -8.540 -5.258 -8.257 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.089 -6.311 -10.446 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -8.752 -4.917 -11.276 1.00 0.00 H new ATOM 0 HE ARG A 85 -6.866 -3.570 -10.433 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -6.605 -7.090 -10.141 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -4.842 -7.059 -10.018 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -4.607 -3.558 -10.293 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -3.721 -5.075 -10.104 1.00 0.00 H new ATOM 1176 N GLN A 86 -10.457 -3.313 -6.944 1.00 0.00 N ATOM 1177 CA GLN A 86 -10.576 -1.920 -6.519 1.00 0.00 C ATOM 1178 C GLN A 86 -9.204 -1.264 -6.350 1.00 0.00 C ATOM 1179 O GLN A 86 -8.167 -1.896 -6.558 1.00 0.00 O ATOM 1180 CB GLN A 86 -11.339 -1.850 -5.199 1.00 0.00 C ATOM 1181 CG GLN A 86 -12.235 -0.635 -5.083 1.00 0.00 C ATOM 1182 CD GLN A 86 -12.907 -0.541 -3.735 1.00 0.00 C ATOM 1183 OE1 GLN A 86 -12.419 0.130 -2.828 1.00 0.00 O ATOM 1184 NE2 GLN A 86 -13.999 -1.259 -3.575 1.00 0.00 N ATOM 0 H GLN A 86 -9.554 -3.743 -6.746 1.00 0.00 H new ATOM 0 HA GLN A 86 -11.118 -1.378 -7.294 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -11.945 -2.750 -5.090 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -10.625 -1.845 -4.376 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -11.645 0.265 -5.255 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -12.995 -0.672 -5.863 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -14.371 -1.802 -4.354 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -14.473 -1.272 -2.672 1.00 0.00 H new ATOM 1191 N GLY A 87 -9.215 0.013 -5.972 1.00 0.00 N ATOM 1192 CA GLY A 87 -7.987 0.753 -5.758 1.00 0.00 C ATOM 1193 C GLY A 87 -8.121 1.739 -4.612 1.00 0.00 C ATOM 1194 O GLY A 87 -9.184 2.334 -4.424 1.00 0.00 O ATOM 0 H GLY A 87 -10.066 0.552 -5.809 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.175 0.058 -5.547 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.720 1.288 -6.670 1.00 0.00 H new ATOM 1198 N ILE A 88 -7.050 1.914 -3.848 1.00 0.00 N ATOM 1199 CA ILE A 88 -7.053 2.824 -2.706 1.00 0.00 C ATOM 1200 C ILE A 88 -5.842 3.756 -2.759 1.00 0.00 C ATOM 1201 O ILE A 88 -4.744 3.345 -3.145 1.00 0.00 O ATOM 1202 CB ILE A 88 -7.056 2.041 -1.369 1.00 0.00 C ATOM 1203 CG1 ILE A 88 -7.149 3.000 -0.181 1.00 0.00 C ATOM 1204 CG2 ILE A 88 -5.811 1.166 -1.251 1.00 0.00 C ATOM 1205 CD1 ILE A 88 -7.220 2.296 1.154 1.00 0.00 C ATOM 0 H ILE A 88 -6.162 1.435 -3.999 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.964 3.421 -2.759 1.00 0.00 H new ATOM 0 HB ILE A 88 -7.933 1.393 -1.359 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -6.283 3.662 -0.189 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -8.031 3.629 -0.299 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -5.834 0.626 -0.305 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -5.788 0.453 -2.075 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.920 1.793 -1.289 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -7.284 3.035 1.952 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -8.101 1.655 1.181 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.326 1.689 1.293 1.00 0.00 H new ATOM 1216 N ASP A 89 -6.050 5.015 -2.394 1.00 0.00 N ATOM 1217 CA ASP A 89 -4.979 6.005 -2.395 1.00 0.00 C ATOM 1218 C ASP A 89 -4.131 5.850 -1.140 1.00 0.00 C ATOM 1219 O ASP A 89 -4.661 5.667 -0.041 1.00 0.00 O ATOM 1220 CB ASP A 89 -5.548 7.428 -2.448 1.00 0.00 C ATOM 1221 CG ASP A 89 -6.499 7.651 -3.609 1.00 0.00 C ATOM 1222 OD1 ASP A 89 -7.710 7.389 -3.443 1.00 0.00 O ATOM 1223 OD2 ASP A 89 -6.049 8.105 -4.678 1.00 0.00 O ATOM 0 H ASP A 89 -6.955 5.376 -2.092 1.00 0.00 H new ATOM 0 HA ASP A 89 -4.365 5.840 -3.280 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -6.070 7.638 -1.514 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -4.725 8.139 -2.520 1.00 0.00 H new ATOM 1227 N LEU A 90 -2.817 5.935 -1.299 1.00 0.00 N ATOM 1228 CA LEU A 90 -1.905 5.787 -0.172 1.00 0.00 C ATOM 1229 C LEU A 90 -1.340 7.125 0.261 1.00 0.00 C ATOM 1230 O LEU A 90 -0.162 7.242 0.602 1.00 0.00 O ATOM 1231 CB LEU A 90 -0.763 4.864 -0.537 1.00 0.00 C ATOM 1232 CG LEU A 90 -1.172 3.500 -1.063 1.00 0.00 C ATOM 1233 CD1 LEU A 90 0.071 2.705 -1.372 1.00 0.00 C ATOM 1234 CD2 LEU A 90 -2.054 2.772 -0.057 1.00 0.00 C ATOM 0 H LEU A 90 -2.359 6.105 -2.195 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.474 5.362 0.655 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.147 5.356 -1.290 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.137 4.722 0.344 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.757 3.621 -1.975 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.210 1.722 -1.751 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.660 3.229 -2.124 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.663 2.588 -0.464 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.334 1.797 -0.457 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.507 2.638 0.876 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.953 3.359 0.130 1.00 0.00 H new ATOM 1245 N ASN A 91 -2.195 8.120 0.278 1.00 0.00 N ATOM 1246 CA ASN A 91 -1.802 9.472 0.668 1.00 0.00 C ATOM 1247 C ASN A 91 -1.643 9.579 2.178 1.00 0.00 C ATOM 1248 O ASN A 91 -1.385 10.652 2.720 1.00 0.00 O ATOM 1249 CB ASN A 91 -2.806 10.498 0.141 1.00 0.00 C ATOM 1250 CG ASN A 91 -2.514 10.886 -1.299 1.00 0.00 C ATOM 1251 OD1 ASN A 91 -3.075 10.147 -2.247 1.00 0.00 O flip ATOM 1252 ND2 ASN A 91 -1.777 11.841 -1.554 1.00 0.00 N flip ATOM 0 H ASN A 91 -3.179 8.026 0.025 1.00 0.00 H new ATOM 0 HA ASN A 91 -0.833 9.689 0.219 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -3.814 10.089 0.210 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -2.780 11.388 0.770 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -1.365 12.384 -0.795 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -1.579 12.088 -2.524 1.00 0.00 H new ATOM 1258 N ARG A 92 -1.813 8.451 2.849 1.00 0.00 N ATOM 1259 CA ARG A 92 -1.674 8.381 4.292 1.00 0.00 C ATOM 1260 C ARG A 92 -0.282 7.898 4.672 1.00 0.00 C ATOM 1261 O ARG A 92 0.111 7.943 5.836 1.00 0.00 O ATOM 1262 CB ARG A 92 -2.712 7.433 4.873 1.00 0.00 C ATOM 1263 CG ARG A 92 -4.131 7.939 4.772 1.00 0.00 C ATOM 1264 CD ARG A 92 -4.986 7.325 5.856 1.00 0.00 C ATOM 1265 NE ARG A 92 -4.634 7.842 7.174 1.00 0.00 N ATOM 1266 CZ ARG A 92 -5.524 8.123 8.118 1.00 0.00 C ATOM 1267 NH1 ARG A 92 -6.821 7.983 7.873 1.00 0.00 N ATOM 1268 NH2 ARG A 92 -5.121 8.565 9.297 1.00 0.00 N ATOM 0 H ARG A 92 -2.050 7.562 2.409 1.00 0.00 H new ATOM 0 HA ARG A 92 -1.827 9.381 4.698 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -2.642 6.474 4.359 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -2.476 7.251 5.921 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -4.144 9.025 4.861 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.543 7.694 3.793 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -6.037 7.531 5.652 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -4.866 6.242 5.845 1.00 0.00 H new ATOM 0 HE ARG A 92 -3.647 7.996 7.382 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -7.135 7.659 6.958 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -7.504 8.199 8.599 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -4.126 8.690 9.482 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -5.805 8.781 10.022 1.00 0.00 H new ATOM 1279 N ILE A 93 0.456 7.417 3.688 1.00 0.00 N ATOM 1280 CA ILE A 93 1.797 6.924 3.925 1.00 0.00 C ATOM 1281 C ILE A 93 2.792 8.012 3.557 1.00 0.00 C ATOM 1282 O ILE A 93 3.148 8.191 2.389 1.00 0.00 O ATOM 1283 CB ILE A 93 2.072 5.629 3.128 1.00 0.00 C ATOM 1284 CG1 ILE A 93 0.906 4.652 3.299 1.00 0.00 C ATOM 1285 CG2 ILE A 93 3.366 4.972 3.588 1.00 0.00 C ATOM 1286 CD1 ILE A 93 0.563 4.365 4.748 1.00 0.00 C ATOM 0 H ILE A 93 0.148 7.358 2.718 1.00 0.00 H new ATOM 0 HA ILE A 93 1.904 6.674 4.981 1.00 0.00 H new ATOM 0 HB ILE A 93 2.174 5.892 2.075 1.00 0.00 H new ATOM 0 HG12 ILE A 93 0.026 5.058 2.800 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.152 3.715 2.800 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.537 4.063 3.012 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.198 5.660 3.436 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.291 4.722 4.646 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -0.272 3.666 4.793 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.428 3.929 5.247 1.00 0.00 H new ATOM 0 HD13 ILE A 93 0.285 5.293 5.247 1.00 0.00 H new ATOM 1297 N GLN A 94 3.210 8.757 4.564 1.00 0.00 N ATOM 1298 CA GLN A 94 4.124 9.867 4.375 1.00 0.00 C ATOM 1299 C GLN A 94 5.522 9.521 4.874 1.00 0.00 C ATOM 1300 O GLN A 94 5.689 8.876 5.911 1.00 0.00 O ATOM 1301 CB GLN A 94 3.596 11.094 5.129 1.00 0.00 C ATOM 1302 CG GLN A 94 4.387 12.371 4.891 1.00 0.00 C ATOM 1303 CD GLN A 94 4.106 12.995 3.540 1.00 0.00 C ATOM 1304 OE1 GLN A 94 3.199 13.814 3.399 1.00 0.00 O ATOM 1305 NE2 GLN A 94 4.892 12.634 2.541 1.00 0.00 N ATOM 0 H GLN A 94 2.926 8.610 5.533 1.00 0.00 H new ATOM 0 HA GLN A 94 4.188 10.083 3.309 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.559 11.265 4.838 1.00 0.00 H new ATOM 0 HB3 GLN A 94 3.596 10.876 6.197 1.00 0.00 H new ATOM 0 HG2 GLN A 94 4.150 13.091 5.674 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.452 12.153 4.970 1.00 0.00 H new ATOM 0 HE21 GLN A 94 5.634 11.952 2.697 1.00 0.00 H new ATOM 0 HE22 GLN A 94 4.757 13.038 1.614 1.00 0.00 H new ATOM 1312 N ASN A 95 6.520 9.943 4.122 1.00 0.00 N ATOM 1313 CA ASN A 95 7.904 9.720 4.488 1.00 0.00 C ATOM 1314 C ASN A 95 8.439 10.939 5.233 1.00 0.00 C ATOM 1315 O ASN A 95 8.501 12.039 4.687 1.00 0.00 O ATOM 1316 CB ASN A 95 8.771 9.424 3.250 1.00 0.00 C ATOM 1317 CG ASN A 95 8.697 10.506 2.177 1.00 0.00 C ATOM 1318 OD1 ASN A 95 7.659 11.146 1.980 1.00 0.00 O ATOM 1319 ND2 ASN A 95 9.799 10.719 1.473 1.00 0.00 N ATOM 0 H ASN A 95 6.395 10.448 3.244 1.00 0.00 H new ATOM 0 HA ASN A 95 7.952 8.847 5.140 1.00 0.00 H new ATOM 0 HB2 ASN A 95 9.808 9.306 3.564 1.00 0.00 H new ATOM 0 HB3 ASN A 95 8.459 8.474 2.817 1.00 0.00 H new ATOM 0 HD21 ASN A 95 9.808 11.430 0.742 1.00 0.00 H new ATOM 0 HD22 ASN A 95 10.639 10.172 1.662 1.00 0.00 H new ATOM 1325 N VAL A 96 8.799 10.743 6.489 1.00 0.00 N ATOM 1326 CA VAL A 96 9.323 11.820 7.313 1.00 0.00 C ATOM 1327 C VAL A 96 10.780 11.544 7.664 1.00 0.00 C ATOM 1328 O VAL A 96 11.114 10.477 8.181 1.00 0.00 O ATOM 1329 CB VAL A 96 8.475 12.019 8.594 1.00 0.00 C ATOM 1330 CG1 VAL A 96 8.384 10.737 9.410 1.00 0.00 C ATOM 1331 CG2 VAL A 96 9.021 13.165 9.433 1.00 0.00 C ATOM 0 H VAL A 96 8.738 9.842 6.964 1.00 0.00 H new ATOM 0 HA VAL A 96 9.267 12.746 6.741 1.00 0.00 H new ATOM 0 HB VAL A 96 7.463 12.279 8.283 1.00 0.00 H new ATOM 0 HG11 VAL A 96 7.782 10.915 10.301 1.00 0.00 H new ATOM 0 HG12 VAL A 96 7.920 9.955 8.809 1.00 0.00 H new ATOM 0 HG13 VAL A 96 9.385 10.422 9.706 1.00 0.00 H new ATOM 0 HG21 VAL A 96 8.409 13.285 10.327 1.00 0.00 H new ATOM 0 HG22 VAL A 96 10.048 12.946 9.723 1.00 0.00 H new ATOM 0 HG23 VAL A 96 8.997 14.086 8.850 1.00 0.00 H new ATOM 1341 N ASN A 97 11.651 12.493 7.320 1.00 0.00 N ATOM 1342 CA ASN A 97 13.088 12.369 7.572 1.00 0.00 C ATOM 1343 C ASN A 97 13.650 11.184 6.801 1.00 0.00 C ATOM 1344 O ASN A 97 14.717 10.666 7.120 1.00 0.00 O ATOM 1345 CB ASN A 97 13.390 12.218 9.071 1.00 0.00 C ATOM 1346 CG ASN A 97 13.322 13.525 9.847 1.00 0.00 C ATOM 1347 OD1 ASN A 97 12.509 14.461 9.384 1.00 0.00 O flip ATOM 1348 ND2 ASN A 97 14.008 13.692 10.856 1.00 0.00 N flip ATOM 0 H ASN A 97 11.383 13.364 6.862 1.00 0.00 H new ATOM 0 HA ASN A 97 13.568 13.285 7.229 1.00 0.00 H new ATOM 0 HB2 ASN A 97 12.682 11.512 9.505 1.00 0.00 H new ATOM 0 HB3 ASN A 97 14.384 11.787 9.190 1.00 0.00 H new ATOM 0 HD21 ASN A 97 14.623 12.947 11.183 1.00 0.00 H new ATOM 0 HD22 ASN A 97 13.961 14.575 11.364 1.00 0.00 H new ATOM 1354 N GLY A 98 12.915 10.765 5.774 1.00 0.00 N ATOM 1355 CA GLY A 98 13.333 9.643 4.963 1.00 0.00 C ATOM 1356 C GLY A 98 12.699 8.335 5.399 1.00 0.00 C ATOM 1357 O GLY A 98 12.798 7.333 4.693 1.00 0.00 O ATOM 0 H GLY A 98 12.032 11.189 5.491 1.00 0.00 H new ATOM 0 HA2 GLY A 98 13.076 9.837 3.922 1.00 0.00 H new ATOM 0 HA3 GLY A 98 14.418 9.550 5.011 1.00 0.00 H new ATOM 1361 N ARG A 99 12.025 8.337 6.547 1.00 0.00 N ATOM 1362 CA ARG A 99 11.401 7.121 7.058 1.00 0.00 C ATOM 1363 C ARG A 99 9.933 7.063 6.670 1.00 0.00 C ATOM 1364 O ARG A 99 9.254 8.086 6.624 1.00 0.00 O ATOM 1365 CB ARG A 99 11.530 7.018 8.582 1.00 0.00 C ATOM 1366 CG ARG A 99 12.964 6.911 9.076 1.00 0.00 C ATOM 1367 CD ARG A 99 13.593 8.279 9.270 1.00 0.00 C ATOM 1368 NE ARG A 99 13.046 8.973 10.434 1.00 0.00 N ATOM 1369 CZ ARG A 99 13.792 9.638 11.313 1.00 0.00 C ATOM 1370 NH1 ARG A 99 15.110 9.673 11.172 1.00 0.00 N ATOM 1371 NH2 ARG A 99 13.219 10.261 12.336 1.00 0.00 N ATOM 0 H ARG A 99 11.898 9.160 7.136 1.00 0.00 H new ATOM 0 HA ARG A 99 11.927 6.279 6.608 1.00 0.00 H new ATOM 0 HB2 ARG A 99 11.065 7.893 9.036 1.00 0.00 H new ATOM 0 HB3 ARG A 99 10.972 6.147 8.925 1.00 0.00 H new ATOM 0 HG2 ARG A 99 12.985 6.364 10.018 1.00 0.00 H new ATOM 0 HG3 ARG A 99 13.554 6.337 8.361 1.00 0.00 H new ATOM 0 HD2 ARG A 99 14.671 8.169 9.387 1.00 0.00 H new ATOM 0 HD3 ARG A 99 13.429 8.883 8.378 1.00 0.00 H new ATOM 0 HE ARG A 99 12.037 8.946 10.581 1.00 0.00 H new ATOM 0 HH11 ARG A 99 15.552 9.190 10.390 1.00 0.00 H new ATOM 0 HH12 ARG A 99 15.682 10.183 11.846 1.00 0.00 H new ATOM 0 HH21 ARG A 99 12.206 10.230 12.449 1.00 0.00 H new ATOM 0 HH22 ARG A 99 13.792 10.770 13.009 1.00 0.00 H new ATOM 1382 N LEU A 100 9.451 5.865 6.394 1.00 0.00 N ATOM 1383 CA LEU A 100 8.065 5.676 6.006 1.00 0.00 C ATOM 1384 C LEU A 100 7.211 5.449 7.242 1.00 0.00 C ATOM 1385 O LEU A 100 7.401 4.470 7.962 1.00 0.00 O ATOM 1386 CB LEU A 100 7.942 4.489 5.053 1.00 0.00 C ATOM 1387 CG LEU A 100 6.972 4.695 3.894 1.00 0.00 C ATOM 1388 CD1 LEU A 100 7.433 5.859 3.040 1.00 0.00 C ATOM 1389 CD2 LEU A 100 6.858 3.428 3.058 1.00 0.00 C ATOM 0 H LEU A 100 10.000 5.006 6.431 1.00 0.00 H new ATOM 0 HA LEU A 100 7.714 6.571 5.493 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.928 4.264 4.647 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.625 3.616 5.623 1.00 0.00 H new ATOM 0 HG LEU A 100 5.985 4.922 4.297 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.737 6.002 2.214 1.00 0.00 H new ATOM 0 HD12 LEU A 100 7.467 6.764 3.646 1.00 0.00 H new ATOM 0 HD13 LEU A 100 8.427 5.649 2.645 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.161 3.596 2.236 1.00 0.00 H new ATOM 0 HD22 LEU A 100 7.837 3.168 2.656 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.493 2.612 3.682 1.00 0.00 H new ATOM 1400 N VAL A 101 6.286 6.363 7.497 1.00 0.00 N ATOM 1401 CA VAL A 101 5.416 6.263 8.659 1.00 0.00 C ATOM 1402 C VAL A 101 3.960 6.468 8.253 1.00 0.00 C ATOM 1403 O VAL A 101 3.660 7.287 7.382 1.00 0.00 O ATOM 1404 CB VAL A 101 5.795 7.314 9.734 1.00 0.00 C ATOM 1405 CG1 VAL A 101 4.939 7.159 10.982 1.00 0.00 C ATOM 1406 CG2 VAL A 101 7.271 7.224 10.088 1.00 0.00 C ATOM 0 H VAL A 101 6.119 7.183 6.914 1.00 0.00 H new ATOM 0 HA VAL A 101 5.543 5.265 9.080 1.00 0.00 H new ATOM 0 HB VAL A 101 5.603 8.300 9.311 1.00 0.00 H new ATOM 0 HG11 VAL A 101 5.228 7.910 11.717 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.889 7.292 10.722 1.00 0.00 H new ATOM 0 HG13 VAL A 101 5.086 6.164 11.402 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.510 7.972 10.844 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.492 6.230 10.478 1.00 0.00 H new ATOM 0 HG23 VAL A 101 7.871 7.405 9.196 1.00 0.00 H new ATOM 1416 N PHE A 102 3.064 5.713 8.868 1.00 0.00 N ATOM 1417 CA PHE A 102 1.648 5.837 8.573 1.00 0.00 C ATOM 1418 C PHE A 102 1.068 7.028 9.319 1.00 0.00 C ATOM 1419 O PHE A 102 1.240 7.161 10.533 1.00 0.00 O ATOM 1420 CB PHE A 102 0.886 4.564 8.948 1.00 0.00 C ATOM 1421 CG PHE A 102 -0.598 4.780 9.044 1.00 0.00 C ATOM 1422 CD1 PHE A 102 -1.342 5.116 7.921 1.00 0.00 C ATOM 1423 CD2 PHE A 102 -1.244 4.680 10.264 1.00 0.00 C ATOM 1424 CE1 PHE A 102 -2.696 5.338 8.017 1.00 0.00 C ATOM 1425 CE2 PHE A 102 -2.601 4.910 10.365 1.00 0.00 C ATOM 1426 CZ PHE A 102 -3.328 5.238 9.238 1.00 0.00 C ATOM 0 H PHE A 102 3.292 5.011 9.572 1.00 0.00 H new ATOM 0 HA PHE A 102 1.538 5.990 7.499 1.00 0.00 H new ATOM 0 HB2 PHE A 102 1.089 3.793 8.205 1.00 0.00 H new ATOM 0 HB3 PHE A 102 1.257 4.192 9.903 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -0.853 5.204 6.962 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -0.680 4.419 11.147 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -3.265 5.591 7.135 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -3.093 4.834 11.323 1.00 0.00 H new ATOM 0 HZ PHE A 102 -4.391 5.416 9.313 1.00 0.00 H new ATOM 1435 N GLN A 103 0.379 7.885 8.589 1.00 0.00 N ATOM 1436 CA GLN A 103 -0.216 9.071 9.172 1.00 0.00 C ATOM 1437 C GLN A 103 -1.676 9.207 8.755 1.00 0.00 C ATOM 1438 O GLN A 103 -2.554 9.087 9.635 1.00 0.00 O ATOM 1439 CB GLN A 103 0.596 10.296 8.758 1.00 0.00 C ATOM 1440 CG GLN A 103 0.194 11.576 9.473 1.00 0.00 C ATOM 1441 CD GLN A 103 1.119 12.745 9.174 1.00 0.00 C ATOM 1442 OE1 GLN A 103 2.398 12.469 8.945 1.00 0.00 O flip ATOM 1443 NE2 GLN A 103 0.690 13.898 9.168 1.00 0.00 N flip ATOM 1444 OXT GLN A 103 -1.941 9.413 7.556 1.00 0.00 O ATOM 0 H GLN A 103 0.218 7.780 7.587 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.198 8.987 10.259 1.00 0.00 H new ATOM 0 HB2 GLN A 103 1.651 10.101 8.950 1.00 0.00 H new ATOM 0 HB3 GLN A 103 0.489 10.444 7.683 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -0.823 11.842 9.184 1.00 0.00 H new ATOM 0 HG3 GLN A 103 0.183 11.396 10.548 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -0.298 14.075 9.348 1.00 0.00 H new ATOM 0 HE22 GLN A 103 1.323 14.677 8.983 1.00 0.00 H new