USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 740 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 43 ASN : amide:sc= -1.51! C(o=-1.7!,f=-10!) USER MOD Set 1.2: A 58 THR OG1 : rot -7:sc= -0.21 USER MOD Set 2.1: A 23 CYS SG : rot 116:sc= 0.72 USER MOD Set 2.2: A 99 ASN : amide:sc= -0.589 K(o=0.13,f=-4.4!) USER MOD Single : A 3 TYR OH : rot 163:sc= -0.455 USER MOD Single : A 6 SER OG : rot 120:sc= 0.00296 USER MOD Single : A 7 SER OG : rot -30:sc= -4.42! USER MOD Single : A 9 ASN : amide:sc= 1.07 K(o=1.1,f=-1.5!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc=-0.00971 X(o=-0.0097,f=-0.39) USER MOD Single : A 18 THR OG1 : rot -87:sc= 1.28 USER MOD Single : A 25 ASN : amide:sc= -0.255 K(o=-0.25,f=-9.2!) USER MOD Single : A 29 ASN : amide:sc= 0.00893 X(o=0.0089,f=0) USER MOD Single : A 32 THR OG1 : rot -72:sc= 1.25 USER MOD Single : A 33 SER OG : rot -89:sc= 1.17 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0.0549 X(o=0.055,f=0) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 53 GLN :FLIP amide:sc= -0.0318 F(o=-1.5!,f=-0.032) USER MOD Single : A 54 ASN : amide:sc= 0.567 K(o=0.57,f=-0.67) USER MOD Single : A 56 THR OG1 : rot 90:sc= 0.231 USER MOD Single : A 65 HIS : no HD1:sc= -0.0795 X(o=-0.079,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 161:sc= -0.0657 (180deg=-0.488) USER MOD Single : A 73 GLN : amide:sc= -0.368 X(o=-0.37,f=-0.13) USER MOD Single : A 88 HIS : no HD1:sc= -0.0628 X(o=-0.063,f=-0.013) USER MOD Single : A 93 ASN : amide:sc= -0.154 K(o=-0.15,f=-3.5!) USER MOD Single : A 95 ASN : amide:sc= -4.53! C(o=-4.5!,f=-4.2!) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 ASN : amide:sc= -0.473 K(o=-0.47,f=-5.3!) USER MOD Single : A 107 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD ----------------------------------------------------------------- ATOM 29 N TYR A 3 -4.413 7.863 -4.806 1.00 0.00 N ATOM 30 CA TYR A 3 -5.520 7.718 -3.875 1.00 0.00 C ATOM 31 C TYR A 3 -5.286 8.592 -2.639 1.00 0.00 C ATOM 32 O TYR A 3 -6.214 9.210 -2.116 1.00 0.00 O ATOM 33 CB TYR A 3 -5.690 6.248 -3.468 1.00 0.00 C ATOM 34 CG TYR A 3 -4.751 5.794 -2.370 1.00 0.00 C ATOM 35 CD1 TYR A 3 -3.419 5.503 -2.634 1.00 0.00 C ATOM 36 CD2 TYR A 3 -5.204 5.673 -1.064 1.00 0.00 C ATOM 37 CE1 TYR A 3 -2.566 5.104 -1.626 1.00 0.00 C ATOM 38 CE2 TYR A 3 -4.359 5.276 -0.051 1.00 0.00 C ATOM 39 CZ TYR A 3 -3.042 4.992 -0.337 1.00 0.00 C ATOM 40 OH TYR A 3 -2.199 4.593 0.667 1.00 0.00 O ATOM 0 HA TYR A 3 -6.436 8.046 -4.367 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -6.717 6.090 -3.140 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -5.535 5.620 -4.345 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -3.045 5.590 -3.644 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -6.237 5.894 -0.838 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -1.532 4.881 -1.845 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -4.727 5.188 0.961 1.00 0.00 H new ATOM 0 HH TYR A 3 -2.594 4.819 1.535 1.00 0.00 H new ATOM 50 N ALA A 4 -4.021 8.661 -2.216 1.00 0.00 N ATOM 51 CA ALA A 4 -3.616 9.427 -1.038 1.00 0.00 C ATOM 52 C ALA A 4 -3.954 10.902 -1.153 1.00 0.00 C ATOM 53 O ALA A 4 -4.109 11.585 -0.140 1.00 0.00 O ATOM 54 CB ALA A 4 -2.131 9.253 -0.781 1.00 0.00 C ATOM 0 H ALA A 4 -3.249 8.186 -2.683 1.00 0.00 H new ATOM 0 HA ALA A 4 -4.183 9.032 -0.195 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -1.844 9.829 0.099 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -1.912 8.199 -0.612 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -1.568 9.606 -1.645 1.00 0.00 H new ATOM 60 N ASP A 5 -4.068 11.393 -2.380 1.00 0.00 N ATOM 61 CA ASP A 5 -4.399 12.792 -2.614 1.00 0.00 C ATOM 62 C ASP A 5 -5.716 13.143 -1.936 1.00 0.00 C ATOM 63 O ASP A 5 -5.899 14.254 -1.439 1.00 0.00 O ATOM 64 CB ASP A 5 -4.490 13.071 -4.114 1.00 0.00 C ATOM 65 CG ASP A 5 -4.829 14.516 -4.422 1.00 0.00 C ATOM 66 OD1 ASP A 5 -3.926 15.369 -4.332 1.00 0.00 O ATOM 67 OD2 ASP A 5 -5.996 14.800 -4.768 1.00 0.00 O ATOM 0 H ASP A 5 -3.936 10.843 -3.229 1.00 0.00 H new ATOM 0 HA ASP A 5 -3.609 13.412 -2.189 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -3.540 12.817 -4.585 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -5.248 12.423 -4.554 1.00 0.00 H new ATOM 72 N SER A 6 -6.617 12.172 -1.896 1.00 0.00 N ATOM 73 CA SER A 6 -7.921 12.367 -1.278 1.00 0.00 C ATOM 74 C SER A 6 -8.281 11.198 -0.352 1.00 0.00 C ATOM 75 O SER A 6 -9.448 10.802 -0.267 1.00 0.00 O ATOM 76 CB SER A 6 -8.995 12.518 -2.360 1.00 0.00 C ATOM 77 OG SER A 6 -8.652 13.532 -3.296 1.00 0.00 O ATOM 0 H SER A 6 -6.469 11.241 -2.284 1.00 0.00 H new ATOM 0 HA SER A 6 -7.875 13.275 -0.677 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.124 11.569 -2.881 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.951 12.759 -1.895 1.00 0.00 H new ATOM 0 HG SER A 6 -8.586 13.141 -4.192 1.00 0.00 H new ATOM 83 N SER A 7 -7.293 10.650 0.353 1.00 0.00 N ATOM 84 CA SER A 7 -7.547 9.523 1.246 1.00 0.00 C ATOM 85 C SER A 7 -7.247 9.874 2.703 1.00 0.00 C ATOM 86 O SER A 7 -6.450 10.766 2.992 1.00 0.00 O ATOM 87 CB SER A 7 -6.710 8.313 0.833 1.00 0.00 C ATOM 88 OG SER A 7 -5.333 8.532 1.085 1.00 0.00 O ATOM 0 H SER A 7 -6.323 10.963 0.324 1.00 0.00 H new ATOM 0 HA SER A 7 -8.607 9.281 1.164 1.00 0.00 H new ATOM 0 HB2 SER A 7 -7.046 7.431 1.379 1.00 0.00 H new ATOM 0 HB3 SER A 7 -6.860 8.108 -0.227 1.00 0.00 H new ATOM 0 HG SER A 7 -5.134 9.488 1.006 1.00 0.00 H new ATOM 94 N ARG A 8 -7.888 9.148 3.608 1.00 0.00 N ATOM 95 CA ARG A 8 -7.705 9.335 5.040 1.00 0.00 C ATOM 96 C ARG A 8 -7.879 7.994 5.725 1.00 0.00 C ATOM 97 O ARG A 8 -8.344 7.039 5.094 1.00 0.00 O ATOM 98 CB ARG A 8 -8.712 10.339 5.612 1.00 0.00 C ATOM 99 CG ARG A 8 -10.120 9.780 5.754 1.00 0.00 C ATOM 100 CD ARG A 8 -11.146 10.713 5.146 1.00 0.00 C ATOM 101 NE ARG A 8 -10.888 10.927 3.726 1.00 0.00 N ATOM 102 CZ ARG A 8 -10.613 12.121 3.194 1.00 0.00 C ATOM 103 NH1 ARG A 8 -10.582 13.202 3.959 1.00 0.00 N ATOM 104 NH2 ARG A 8 -10.359 12.235 1.899 1.00 0.00 N ATOM 0 H ARG A 8 -8.551 8.411 3.369 1.00 0.00 H new ATOM 0 HA ARG A 8 -6.706 9.734 5.217 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.363 10.673 6.589 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.743 11.217 4.967 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -10.178 8.806 5.268 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -10.347 9.624 6.809 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -12.144 10.296 5.278 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -11.128 11.669 5.670 1.00 0.00 H new ATOM 0 HE ARG A 8 -10.919 10.119 3.104 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -10.769 13.125 4.959 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -10.372 14.112 3.548 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -10.373 11.408 1.302 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -10.150 13.150 1.499 1.00 0.00 H new ATOM 118 N ASN A 9 -7.515 7.924 7.002 1.00 0.00 N ATOM 119 CA ASN A 9 -7.626 6.694 7.784 1.00 0.00 C ATOM 120 C ASN A 9 -6.951 5.535 7.063 1.00 0.00 C ATOM 121 O ASN A 9 -7.387 4.384 7.148 1.00 0.00 O ATOM 122 CB ASN A 9 -9.099 6.385 8.075 1.00 0.00 C ATOM 123 CG ASN A 9 -9.685 7.332 9.104 1.00 0.00 C ATOM 124 OD1 ASN A 9 -8.979 7.826 9.986 1.00 0.00 O ATOM 125 ND2 ASN A 9 -10.976 7.596 9.001 1.00 0.00 N ATOM 0 H ASN A 9 -7.136 8.714 7.524 1.00 0.00 H new ATOM 0 HA ASN A 9 -7.113 6.835 8.735 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -9.673 6.453 7.151 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.191 5.359 8.432 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -11.422 8.228 9.666 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -11.526 7.167 8.257 1.00 0.00 H new ATOM 132 N ALA A 10 -5.875 5.862 6.357 1.00 0.00 N ATOM 133 CA ALA A 10 -5.124 4.883 5.596 1.00 0.00 C ATOM 134 C ALA A 10 -4.111 4.165 6.468 1.00 0.00 C ATOM 135 O ALA A 10 -3.172 4.773 6.981 1.00 0.00 O ATOM 136 CB ALA A 10 -4.434 5.558 4.421 1.00 0.00 C ATOM 0 H ALA A 10 -5.504 6.810 6.299 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.822 4.136 5.218 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.872 4.816 3.854 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.182 6.018 3.775 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.753 6.325 4.790 1.00 0.00 H new ATOM 142 N VAL A 11 -4.323 2.874 6.649 1.00 0.00 N ATOM 143 CA VAL A 11 -3.428 2.044 7.445 1.00 0.00 C ATOM 144 C VAL A 11 -3.399 0.647 6.867 1.00 0.00 C ATOM 145 O VAL A 11 -4.100 0.341 5.899 1.00 0.00 O ATOM 146 CB VAL A 11 -3.822 1.926 8.938 1.00 0.00 C ATOM 147 CG1 VAL A 11 -4.081 3.278 9.572 1.00 0.00 C ATOM 148 CG2 VAL A 11 -5.003 0.984 9.116 1.00 0.00 C ATOM 0 H VAL A 11 -5.116 2.370 6.252 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.456 2.536 7.404 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.970 1.497 9.465 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.354 3.143 10.619 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.180 3.889 9.508 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.895 3.776 9.046 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.260 0.918 10.173 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.859 1.364 8.557 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.738 -0.006 8.745 1.00 0.00 H new ATOM 158 N LEU A 12 -2.592 -0.192 7.468 1.00 0.00 N ATOM 159 CA LEU A 12 -2.472 -1.558 7.039 1.00 0.00 C ATOM 160 C LEU A 12 -3.197 -2.474 8.009 1.00 0.00 C ATOM 161 O LEU A 12 -3.134 -2.283 9.223 1.00 0.00 O ATOM 162 CB LEU A 12 -1.011 -1.928 6.953 1.00 0.00 C ATOM 163 CG LEU A 12 -0.524 -2.320 5.559 1.00 0.00 C ATOM 164 CD1 LEU A 12 -1.032 -1.342 4.511 1.00 0.00 C ATOM 165 CD2 LEU A 12 0.988 -2.369 5.537 1.00 0.00 C ATOM 0 H LEU A 12 -2.004 0.054 8.264 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.927 -1.672 6.055 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.417 -1.085 7.305 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.821 -2.758 7.634 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.919 -3.308 5.321 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.672 -1.643 3.527 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.122 -1.340 4.513 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.667 -0.341 4.740 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.328 -2.649 4.540 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.388 -1.388 5.795 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.339 -3.105 6.260 1.00 0.00 H new ATOM 177 N THR A 13 -3.880 -3.459 7.467 1.00 0.00 N ATOM 178 CA THR A 13 -4.635 -4.403 8.254 1.00 0.00 C ATOM 179 C THR A 13 -4.170 -5.818 7.934 1.00 0.00 C ATOM 180 O THR A 13 -3.456 -6.023 6.944 1.00 0.00 O ATOM 181 CB THR A 13 -6.142 -4.245 7.946 1.00 0.00 C ATOM 182 OG1 THR A 13 -6.516 -2.866 8.081 1.00 0.00 O ATOM 183 CG2 THR A 13 -7.000 -5.088 8.877 1.00 0.00 C ATOM 0 H THR A 13 -3.926 -3.626 6.462 1.00 0.00 H new ATOM 0 HA THR A 13 -4.473 -4.212 9.315 1.00 0.00 H new ATOM 0 HB THR A 13 -6.311 -4.588 6.925 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.471 -2.765 7.884 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.052 -4.949 8.628 1.00 0.00 H new ATOM 0 HG22 THR A 13 -6.736 -6.139 8.763 1.00 0.00 H new ATOM 0 HG23 THR A 13 -6.828 -4.781 9.908 1.00 0.00 H new ATOM 191 N ASN A 14 -4.508 -6.764 8.810 1.00 0.00 N ATOM 192 CA ASN A 14 -4.170 -8.174 8.626 1.00 0.00 C ATOM 193 C ASN A 14 -2.688 -8.419 8.885 1.00 0.00 C ATOM 194 O ASN A 14 -2.174 -9.513 8.656 1.00 0.00 O ATOM 195 CB ASN A 14 -4.536 -8.616 7.209 1.00 0.00 C ATOM 196 CG ASN A 14 -4.993 -10.061 7.142 1.00 0.00 C ATOM 197 OD1 ASN A 14 -4.627 -10.882 7.984 1.00 0.00 O ATOM 198 ND2 ASN A 14 -5.782 -10.386 6.131 1.00 0.00 N ATOM 0 H ASN A 14 -5.025 -6.573 9.668 1.00 0.00 H new ATOM 0 HA ASN A 14 -4.742 -8.761 9.345 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -5.327 -7.972 6.826 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -3.672 -8.483 6.558 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -6.110 -11.346 6.028 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -6.063 -9.676 5.454 1.00 0.00 H new ATOM 205 N GLY A 15 -2.008 -7.397 9.371 1.00 0.00 N ATOM 206 CA GLY A 15 -0.592 -7.506 9.638 1.00 0.00 C ATOM 207 C GLY A 15 0.222 -6.959 8.489 1.00 0.00 C ATOM 208 O GLY A 15 1.393 -7.294 8.326 1.00 0.00 O ATOM 0 H GLY A 15 -2.414 -6.487 9.587 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.348 -6.963 10.551 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.330 -8.550 9.808 1.00 0.00 H new ATOM 212 N GLY A 16 -0.409 -6.113 7.688 1.00 0.00 N ATOM 213 CA GLY A 16 0.264 -5.529 6.550 1.00 0.00 C ATOM 214 C GLY A 16 -0.090 -6.234 5.263 1.00 0.00 C ATOM 215 O GLY A 16 0.633 -6.145 4.276 1.00 0.00 O ATOM 0 H GLY A 16 -1.379 -5.821 7.808 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.003 -4.475 6.472 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.342 -5.574 6.704 1.00 0.00 H new ATOM 219 N ARG A 17 -1.222 -6.922 5.269 1.00 0.00 N ATOM 220 CA ARG A 17 -1.666 -7.667 4.102 1.00 0.00 C ATOM 221 C ARG A 17 -2.795 -6.941 3.393 1.00 0.00 C ATOM 222 O ARG A 17 -3.065 -7.195 2.225 1.00 0.00 O ATOM 223 CB ARG A 17 -2.141 -9.065 4.504 1.00 0.00 C ATOM 224 CG ARG A 17 -1.320 -9.712 5.610 1.00 0.00 C ATOM 225 CD ARG A 17 -1.633 -11.193 5.746 1.00 0.00 C ATOM 226 NE ARG A 17 -1.359 -11.933 4.515 1.00 0.00 N ATOM 227 CZ ARG A 17 -1.776 -13.178 4.284 1.00 0.00 C ATOM 228 NH1 ARG A 17 -2.439 -13.851 5.222 1.00 0.00 N ATOM 229 NH2 ARG A 17 -1.515 -13.755 3.116 1.00 0.00 N ATOM 0 H ARG A 17 -1.850 -6.979 6.071 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.817 -7.754 3.424 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -3.180 -9.004 4.827 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -2.118 -9.710 3.626 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.258 -9.582 5.400 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.522 -9.209 6.556 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.042 -11.614 6.560 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -2.682 -11.317 6.016 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.815 -11.468 3.788 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -2.631 -13.414 6.124 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.755 -14.803 5.039 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.997 -13.246 2.400 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -1.832 -14.707 2.935 1.00 0.00 H new ATOM 243 N THR A 18 -3.443 -6.031 4.096 1.00 0.00 N ATOM 244 CA THR A 18 -4.555 -5.293 3.529 1.00 0.00 C ATOM 245 C THR A 18 -4.363 -3.791 3.689 1.00 0.00 C ATOM 246 O THR A 18 -4.108 -3.299 4.785 1.00 0.00 O ATOM 247 CB THR A 18 -5.879 -5.708 4.201 1.00 0.00 C ATOM 248 OG1 THR A 18 -6.044 -7.132 4.128 1.00 0.00 O ATOM 249 CG2 THR A 18 -7.064 -5.016 3.544 1.00 0.00 C ATOM 0 H THR A 18 -3.218 -5.786 5.060 1.00 0.00 H new ATOM 0 HA THR A 18 -4.594 -5.531 2.466 1.00 0.00 H new ATOM 0 HB THR A 18 -5.839 -5.403 5.247 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.472 -7.369 3.279 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.985 -5.326 4.037 1.00 0.00 H new ATOM 0 HG22 THR A 18 -6.950 -3.936 3.634 1.00 0.00 H new ATOM 0 HG23 THR A 18 -7.107 -5.290 2.490 1.00 0.00 H new ATOM 257 N LEU A 19 -4.457 -3.077 2.585 1.00 0.00 N ATOM 258 CA LEU A 19 -4.332 -1.634 2.592 1.00 0.00 C ATOM 259 C LEU A 19 -5.714 -1.003 2.655 1.00 0.00 C ATOM 260 O LEU A 19 -6.463 -1.027 1.678 1.00 0.00 O ATOM 261 CB LEU A 19 -3.597 -1.160 1.342 1.00 0.00 C ATOM 262 CG LEU A 19 -3.556 0.353 1.128 1.00 0.00 C ATOM 263 CD1 LEU A 19 -2.821 1.044 2.267 1.00 0.00 C ATOM 264 CD2 LEU A 19 -2.905 0.662 -0.207 1.00 0.00 C ATOM 0 H LEU A 19 -4.621 -3.479 1.662 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.758 -1.331 3.468 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.573 -1.530 1.384 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.066 -1.618 0.472 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.577 0.736 1.118 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.806 2.120 2.091 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.332 0.838 3.208 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.798 0.671 2.320 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.877 1.741 -0.357 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.889 0.268 -0.216 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.481 0.199 -1.008 1.00 0.00 H new ATOM 276 N ARG A 20 -6.053 -0.460 3.807 1.00 0.00 N ATOM 277 CA ARG A 20 -7.347 0.166 3.993 1.00 0.00 C ATOM 278 C ARG A 20 -7.190 1.682 4.024 1.00 0.00 C ATOM 279 O ARG A 20 -6.446 2.219 4.845 1.00 0.00 O ATOM 280 CB ARG A 20 -7.975 -0.340 5.300 1.00 0.00 C ATOM 281 CG ARG A 20 -9.492 -0.205 5.384 1.00 0.00 C ATOM 282 CD ARG A 20 -9.956 1.243 5.453 1.00 0.00 C ATOM 283 NE ARG A 20 -9.341 1.979 6.561 1.00 0.00 N ATOM 284 CZ ARG A 20 -9.856 2.054 7.789 1.00 0.00 C ATOM 285 NH1 ARG A 20 -10.946 1.363 8.105 1.00 0.00 N ATOM 286 NH2 ARG A 20 -9.266 2.809 8.711 1.00 0.00 N ATOM 0 H ARG A 20 -5.450 -0.440 4.629 1.00 0.00 H new ATOM 0 HA ARG A 20 -8.003 -0.095 3.162 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.712 -1.390 5.429 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.531 0.205 6.133 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.943 -0.684 4.515 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.851 -0.738 6.264 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -9.718 1.742 4.514 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.040 1.269 5.562 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.463 2.465 6.381 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -11.394 0.770 7.406 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.334 1.425 9.046 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.420 3.330 8.479 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.659 2.867 9.650 1.00 0.00 H new ATOM 300 N ALA A 21 -7.907 2.363 3.145 1.00 0.00 N ATOM 301 CA ALA A 21 -7.856 3.812 3.068 1.00 0.00 C ATOM 302 C ALA A 21 -9.186 4.363 2.586 1.00 0.00 C ATOM 303 O ALA A 21 -9.797 3.815 1.671 1.00 0.00 O ATOM 304 CB ALA A 21 -6.739 4.254 2.138 1.00 0.00 C ATOM 0 H ALA A 21 -8.536 1.930 2.469 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.656 4.203 4.065 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.714 5.343 2.091 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.785 3.885 2.514 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.916 3.852 1.140 1.00 0.00 H new ATOM 310 N GLU A 22 -9.646 5.434 3.206 1.00 0.00 N ATOM 311 CA GLU A 22 -10.907 6.037 2.810 1.00 0.00 C ATOM 312 C GLU A 22 -10.638 7.186 1.857 1.00 0.00 C ATOM 313 O GLU A 22 -10.142 8.238 2.266 1.00 0.00 O ATOM 314 CB GLU A 22 -11.673 6.532 4.034 1.00 0.00 C ATOM 315 CG GLU A 22 -11.613 5.570 5.205 1.00 0.00 C ATOM 316 CD GLU A 22 -12.732 5.792 6.196 1.00 0.00 C ATOM 317 OE1 GLU A 22 -13.805 5.173 6.036 1.00 0.00 O ATOM 318 OE2 GLU A 22 -12.543 6.579 7.141 1.00 0.00 O ATOM 0 H GLU A 22 -9.171 5.901 3.979 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.518 5.287 2.308 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -11.268 7.496 4.343 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -12.715 6.697 3.760 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.660 4.547 4.833 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -10.655 5.681 5.713 1.00 0.00 H new ATOM 325 N CYS A 23 -10.981 6.996 0.599 1.00 0.00 N ATOM 326 CA CYS A 23 -10.753 8.009 -0.408 1.00 0.00 C ATOM 327 C CYS A 23 -12.076 8.455 -1.011 1.00 0.00 C ATOM 328 O CYS A 23 -13.000 7.659 -1.168 1.00 0.00 O ATOM 329 CB CYS A 23 -9.827 7.463 -1.496 1.00 0.00 C ATOM 330 SG CYS A 23 -9.172 8.724 -2.617 1.00 0.00 S ATOM 0 H CYS A 23 -11.421 6.144 0.250 1.00 0.00 H new ATOM 0 HA CYS A 23 -10.276 8.872 0.057 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -8.993 6.947 -1.021 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -10.370 6.721 -2.081 1.00 0.00 H new ATOM 0 HG CYS A 23 -7.880 8.787 -2.492 1.00 0.00 H new ATOM 336 N ARG A 24 -12.166 9.735 -1.319 1.00 0.00 N ATOM 337 CA ARG A 24 -13.367 10.297 -1.905 1.00 0.00 C ATOM 338 C ARG A 24 -13.511 9.820 -3.352 1.00 0.00 C ATOM 339 O ARG A 24 -12.523 9.664 -4.068 1.00 0.00 O ATOM 340 CB ARG A 24 -13.339 11.835 -1.790 1.00 0.00 C ATOM 341 CG ARG A 24 -13.522 12.583 -3.102 1.00 0.00 C ATOM 342 CD ARG A 24 -12.234 12.639 -3.907 1.00 0.00 C ATOM 343 NE ARG A 24 -12.499 12.701 -5.338 1.00 0.00 N ATOM 344 CZ ARG A 24 -11.712 13.325 -6.212 1.00 0.00 C ATOM 345 NH1 ARG A 24 -10.641 13.989 -5.792 1.00 0.00 N ATOM 346 NH2 ARG A 24 -12.001 13.298 -7.505 1.00 0.00 N ATOM 0 H ARG A 24 -11.415 10.409 -1.171 1.00 0.00 H new ATOM 0 HA ARG A 24 -14.245 9.950 -1.360 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -14.123 12.147 -1.100 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.388 12.134 -1.349 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -14.298 12.096 -3.692 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -13.866 13.597 -2.897 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.653 13.511 -3.606 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.628 11.761 -3.686 1.00 0.00 H new ATOM 0 HE ARG A 24 -13.337 12.239 -5.691 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.419 14.022 -4.797 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.040 14.466 -6.465 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.828 12.798 -7.832 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -11.397 13.777 -8.173 1.00 0.00 H new ATOM 360 N ASN A 25 -14.743 9.577 -3.773 1.00 0.00 N ATOM 361 CA ASN A 25 -15.008 9.095 -5.122 1.00 0.00 C ATOM 362 C ASN A 25 -15.102 10.243 -6.113 1.00 0.00 C ATOM 363 O ASN A 25 -14.837 11.390 -5.765 1.00 0.00 O ATOM 364 CB ASN A 25 -16.295 8.264 -5.152 1.00 0.00 C ATOM 365 CG ASN A 25 -17.567 9.090 -5.053 1.00 0.00 C ATOM 366 OD1 ASN A 25 -17.588 10.163 -4.455 1.00 0.00 O ATOM 367 ND2 ASN A 25 -18.642 8.591 -5.647 1.00 0.00 N ATOM 0 H ASN A 25 -15.577 9.706 -3.200 1.00 0.00 H new ATOM 0 HA ASN A 25 -14.171 8.462 -5.418 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -16.320 7.686 -6.076 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -16.273 7.549 -4.329 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -19.525 9.101 -5.617 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -18.586 7.697 -6.134 1.00 0.00 H new ATOM 374 N ALA A 26 -15.493 9.935 -7.338 1.00 0.00 N ATOM 375 CA ALA A 26 -15.617 10.944 -8.383 1.00 0.00 C ATOM 376 C ALA A 26 -16.674 11.997 -8.039 1.00 0.00 C ATOM 377 O ALA A 26 -16.646 13.109 -8.563 1.00 0.00 O ATOM 378 CB ALA A 26 -15.940 10.272 -9.706 1.00 0.00 C ATOM 0 H ALA A 26 -15.732 8.990 -7.637 1.00 0.00 H new ATOM 0 HA ALA A 26 -14.663 11.465 -8.465 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -16.032 11.028 -10.485 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -15.141 9.578 -9.966 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -16.879 9.726 -9.617 1.00 0.00 H new ATOM 384 N ASP A 27 -17.596 11.650 -7.149 1.00 0.00 N ATOM 385 CA ASP A 27 -18.654 12.574 -6.752 1.00 0.00 C ATOM 386 C ASP A 27 -18.192 13.475 -5.610 1.00 0.00 C ATOM 387 O ASP A 27 -18.737 14.560 -5.397 1.00 0.00 O ATOM 388 CB ASP A 27 -19.896 11.799 -6.319 1.00 0.00 C ATOM 389 CG ASP A 27 -21.124 12.680 -6.214 1.00 0.00 C ATOM 390 OD1 ASP A 27 -21.736 12.979 -7.262 1.00 0.00 O ATOM 391 OD2 ASP A 27 -21.497 13.062 -5.088 1.00 0.00 O ATOM 0 H ASP A 27 -17.634 10.740 -6.690 1.00 0.00 H new ATOM 0 HA ASP A 27 -18.896 13.197 -7.613 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -20.088 10.998 -7.033 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -19.708 11.328 -5.354 1.00 0.00 H new ATOM 396 N GLY A 28 -17.183 13.025 -4.881 1.00 0.00 N ATOM 397 CA GLY A 28 -16.669 13.802 -3.769 1.00 0.00 C ATOM 398 C GLY A 28 -17.030 13.206 -2.423 1.00 0.00 C ATOM 399 O GLY A 28 -16.726 13.784 -1.378 1.00 0.00 O ATOM 0 H GLY A 28 -16.709 12.135 -5.038 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -15.584 13.873 -3.851 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -17.060 14.818 -3.829 1.00 0.00 H new ATOM 403 N ASN A 29 -17.680 12.053 -2.444 1.00 0.00 N ATOM 404 CA ASN A 29 -18.082 11.378 -1.212 1.00 0.00 C ATOM 405 C ASN A 29 -16.962 10.470 -0.734 1.00 0.00 C ATOM 406 O ASN A 29 -16.241 9.896 -1.542 1.00 0.00 O ATOM 407 CB ASN A 29 -19.328 10.528 -1.449 1.00 0.00 C ATOM 408 CG ASN A 29 -20.060 10.186 -0.165 1.00 0.00 C ATOM 409 OD1 ASN A 29 -20.940 10.926 0.276 1.00 0.00 O ATOM 410 ND2 ASN A 29 -19.716 9.057 0.437 1.00 0.00 N ATOM 0 H ASN A 29 -17.942 11.562 -3.299 1.00 0.00 H new ATOM 0 HA ASN A 29 -18.298 12.138 -0.461 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -20.005 11.062 -2.116 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -19.042 9.606 -1.955 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -20.186 8.774 1.297 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -18.982 8.471 0.040 1.00 0.00 H new ATOM 417 N TRP A 30 -16.831 10.335 0.570 1.00 0.00 N ATOM 418 CA TRP A 30 -15.798 9.488 1.150 1.00 0.00 C ATOM 419 C TRP A 30 -16.171 8.023 1.015 1.00 0.00 C ATOM 420 O TRP A 30 -17.265 7.612 1.401 1.00 0.00 O ATOM 421 CB TRP A 30 -15.569 9.833 2.618 1.00 0.00 C ATOM 422 CG TRP A 30 -14.924 11.165 2.817 1.00 0.00 C ATOM 423 CD1 TRP A 30 -14.309 11.927 1.867 1.00 0.00 C ATOM 424 CD2 TRP A 30 -14.816 11.883 4.045 1.00 0.00 C ATOM 425 NE1 TRP A 30 -13.827 13.077 2.433 1.00 0.00 N ATOM 426 CE2 TRP A 30 -14.125 13.076 3.767 1.00 0.00 C ATOM 427 CE3 TRP A 30 -15.239 11.639 5.355 1.00 0.00 C ATOM 428 CZ2 TRP A 30 -13.846 14.017 4.749 1.00 0.00 C ATOM 429 CZ3 TRP A 30 -14.960 12.575 6.330 1.00 0.00 C ATOM 430 CH2 TRP A 30 -14.268 13.753 6.022 1.00 0.00 C ATOM 0 H TRP A 30 -17.427 10.801 1.254 1.00 0.00 H new ATOM 0 HA TRP A 30 -14.872 9.669 0.604 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -16.525 9.818 3.141 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -14.945 9.063 3.072 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -14.216 11.663 0.824 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -13.326 13.815 1.939 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -15.775 10.734 5.600 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -13.313 14.927 4.515 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -15.280 12.396 7.346 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -14.064 14.467 6.806 1.00 0.00 H new ATOM 441 N VAL A 31 -15.265 7.248 0.447 1.00 0.00 N ATOM 442 CA VAL A 31 -15.490 5.831 0.249 1.00 0.00 C ATOM 443 C VAL A 31 -14.371 5.022 0.892 1.00 0.00 C ATOM 444 O VAL A 31 -13.192 5.309 0.689 1.00 0.00 O ATOM 445 CB VAL A 31 -15.542 5.481 -1.253 1.00 0.00 C ATOM 446 CG1 VAL A 31 -16.072 4.074 -1.461 1.00 0.00 C ATOM 447 CG2 VAL A 31 -16.371 6.498 -2.020 1.00 0.00 C ATOM 0 H VAL A 31 -14.361 7.581 0.113 1.00 0.00 H new ATOM 0 HA VAL A 31 -16.446 5.585 0.712 1.00 0.00 H new ATOM 0 HB VAL A 31 -14.525 5.518 -1.645 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -16.100 3.850 -2.527 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -15.419 3.361 -0.957 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -17.078 3.999 -1.048 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -16.392 6.228 -3.076 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -17.388 6.508 -1.628 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -15.929 7.488 -1.907 1.00 0.00 H new ATOM 457 N THR A 32 -14.735 4.036 1.690 1.00 0.00 N ATOM 458 CA THR A 32 -13.750 3.190 2.325 1.00 0.00 C ATOM 459 C THR A 32 -13.275 2.147 1.319 1.00 0.00 C ATOM 460 O THR A 32 -14.019 1.234 0.958 1.00 0.00 O ATOM 461 CB THR A 32 -14.334 2.495 3.564 1.00 0.00 C ATOM 462 OG1 THR A 32 -15.025 3.452 4.384 1.00 0.00 O ATOM 463 CG2 THR A 32 -13.233 1.831 4.372 1.00 0.00 C ATOM 0 H THR A 32 -15.703 3.804 1.912 1.00 0.00 H new ATOM 0 HA THR A 32 -12.912 3.806 2.652 1.00 0.00 H new ATOM 0 HB THR A 32 -15.036 1.730 3.232 1.00 0.00 H new ATOM 0 HG1 THR A 32 -14.373 4.032 4.829 1.00 0.00 H new ATOM 0 HG21 THR A 32 -13.666 1.344 5.246 1.00 0.00 H new ATOM 0 HG22 THR A 32 -12.727 1.088 3.756 1.00 0.00 H new ATOM 0 HG23 THR A 32 -12.514 2.584 4.695 1.00 0.00 H new ATOM 471 N SER A 33 -12.044 2.286 0.859 1.00 0.00 N ATOM 472 CA SER A 33 -11.500 1.369 -0.125 1.00 0.00 C ATOM 473 C SER A 33 -10.428 0.492 0.504 1.00 0.00 C ATOM 474 O SER A 33 -9.618 0.960 1.310 1.00 0.00 O ATOM 475 CB SER A 33 -10.910 2.152 -1.295 1.00 0.00 C ATOM 476 OG SER A 33 -11.725 3.262 -1.629 1.00 0.00 O ATOM 0 H SER A 33 -11.404 3.024 1.151 1.00 0.00 H new ATOM 0 HA SER A 33 -12.304 0.731 -0.490 1.00 0.00 H new ATOM 0 HB2 SER A 33 -9.908 2.497 -1.038 1.00 0.00 H new ATOM 0 HB3 SER A 33 -10.809 1.497 -2.161 1.00 0.00 H new ATOM 0 HG SER A 33 -12.400 2.987 -2.284 1.00 0.00 H new ATOM 482 N GLU A 34 -10.434 -0.781 0.150 1.00 0.00 N ATOM 483 CA GLU A 34 -9.464 -1.714 0.685 1.00 0.00 C ATOM 484 C GLU A 34 -8.842 -2.531 -0.435 1.00 0.00 C ATOM 485 O GLU A 34 -9.548 -3.080 -1.281 1.00 0.00 O ATOM 486 CB GLU A 34 -10.129 -2.656 1.691 1.00 0.00 C ATOM 487 CG GLU A 34 -11.205 -1.992 2.535 1.00 0.00 C ATOM 488 CD GLU A 34 -11.710 -2.886 3.646 1.00 0.00 C ATOM 489 OE1 GLU A 34 -12.040 -4.057 3.366 1.00 0.00 O ATOM 490 OE2 GLU A 34 -11.786 -2.422 4.803 1.00 0.00 O ATOM 0 H GLU A 34 -11.100 -1.190 -0.505 1.00 0.00 H new ATOM 0 HA GLU A 34 -8.684 -1.143 1.189 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -10.569 -3.495 1.153 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -9.364 -3.066 2.351 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -10.807 -1.073 2.966 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -12.040 -1.708 1.894 1.00 0.00 H new ATOM 497 N LEU A 35 -7.526 -2.606 -0.435 1.00 0.00 N ATOM 498 CA LEU A 35 -6.804 -3.373 -1.434 1.00 0.00 C ATOM 499 C LEU A 35 -5.839 -4.291 -0.723 1.00 0.00 C ATOM 500 O LEU A 35 -4.946 -3.840 -0.006 1.00 0.00 O ATOM 501 CB LEU A 35 -6.043 -2.456 -2.403 1.00 0.00 C ATOM 502 CG LEU A 35 -5.809 -3.011 -3.822 1.00 0.00 C ATOM 503 CD1 LEU A 35 -4.879 -2.092 -4.595 1.00 0.00 C ATOM 504 CD2 LEU A 35 -5.245 -4.428 -3.799 1.00 0.00 C ATOM 0 H LEU A 35 -6.930 -2.142 0.250 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.516 -3.951 -2.024 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.591 -1.517 -2.488 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.074 -2.221 -1.963 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.778 -3.053 -4.320 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.720 -2.493 -5.596 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.325 -1.100 -4.668 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.923 -2.022 -4.076 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.097 -4.777 -4.821 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.291 -4.431 -3.272 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.944 -5.090 -3.287 1.00 0.00 H new ATOM 516 N ASP A 36 -6.040 -5.577 -0.898 1.00 0.00 N ATOM 517 CA ASP A 36 -5.189 -6.562 -0.284 1.00 0.00 C ATOM 518 C ASP A 36 -3.806 -6.516 -0.911 1.00 0.00 C ATOM 519 O ASP A 36 -3.609 -6.916 -2.051 1.00 0.00 O ATOM 520 CB ASP A 36 -5.811 -7.944 -0.430 1.00 0.00 C ATOM 521 CG ASP A 36 -6.974 -8.152 0.520 1.00 0.00 C ATOM 522 OD1 ASP A 36 -6.758 -8.111 1.752 1.00 0.00 O ATOM 523 OD2 ASP A 36 -8.112 -8.354 0.043 1.00 0.00 O ATOM 0 H ASP A 36 -6.793 -5.965 -1.466 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.087 -6.343 0.779 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -6.153 -8.080 -1.456 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.052 -8.704 -0.244 1.00 0.00 H new ATOM 528 N LEU A 37 -2.849 -6.005 -0.160 1.00 0.00 N ATOM 529 CA LEU A 37 -1.483 -5.888 -0.632 1.00 0.00 C ATOM 530 C LEU A 37 -0.922 -7.241 -0.965 1.00 0.00 C ATOM 531 O LEU A 37 -0.226 -7.420 -1.954 1.00 0.00 O ATOM 532 CB LEU A 37 -0.611 -5.277 0.432 1.00 0.00 C ATOM 533 CG LEU A 37 -0.970 -3.869 0.818 1.00 0.00 C ATOM 534 CD1 LEU A 37 0.146 -3.311 1.648 1.00 0.00 C ATOM 535 CD2 LEU A 37 -1.243 -3.023 -0.413 1.00 0.00 C ATOM 0 H LEU A 37 -2.995 -5.661 0.789 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.495 -5.257 -1.521 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.657 -5.904 1.322 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.422 -5.290 0.085 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.888 -3.861 1.405 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.094 -2.288 1.940 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.276 -3.922 2.541 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.069 -3.316 1.068 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.501 -2.009 -0.108 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.353 -2.998 -1.042 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.072 -3.454 -0.974 1.00 0.00 H new ATOM 547 N ASP A 38 -1.246 -8.196 -0.126 1.00 0.00 N ATOM 548 CA ASP A 38 -0.787 -9.567 -0.300 1.00 0.00 C ATOM 549 C ASP A 38 -1.325 -10.157 -1.596 1.00 0.00 C ATOM 550 O ASP A 38 -0.975 -11.268 -1.965 1.00 0.00 O ATOM 551 CB ASP A 38 -1.190 -10.452 0.882 1.00 0.00 C ATOM 552 CG ASP A 38 -2.609 -10.987 0.774 1.00 0.00 C ATOM 553 OD1 ASP A 38 -3.557 -10.178 0.741 1.00 0.00 O ATOM 554 OD2 ASP A 38 -2.772 -12.225 0.712 1.00 0.00 O ATOM 0 H ASP A 38 -1.833 -8.053 0.696 1.00 0.00 H new ATOM 0 HA ASP A 38 0.302 -9.539 -0.347 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.497 -11.290 0.953 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.094 -9.880 1.805 1.00 0.00 H new ATOM 559 N THR A 39 -2.178 -9.417 -2.284 1.00 0.00 N ATOM 560 CA THR A 39 -2.747 -9.913 -3.525 1.00 0.00 C ATOM 561 C THR A 39 -2.108 -9.236 -4.747 1.00 0.00 C ATOM 562 O THR A 39 -2.232 -9.729 -5.868 1.00 0.00 O ATOM 563 CB THR A 39 -4.292 -9.765 -3.550 1.00 0.00 C ATOM 564 OG1 THR A 39 -4.883 -10.873 -4.244 1.00 0.00 O ATOM 565 CG2 THR A 39 -4.735 -8.476 -4.221 1.00 0.00 C ATOM 0 H THR A 39 -2.488 -8.485 -2.010 1.00 0.00 H new ATOM 0 HA THR A 39 -2.519 -10.978 -3.577 1.00 0.00 H new ATOM 0 HB THR A 39 -4.625 -9.743 -2.512 1.00 0.00 H new ATOM 0 HG1 THR A 39 -5.858 -10.771 -4.253 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.823 -8.418 -4.214 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.323 -7.624 -3.680 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.377 -8.460 -5.251 1.00 0.00 H new ATOM 573 N ILE A 40 -1.386 -8.133 -4.527 1.00 0.00 N ATOM 574 CA ILE A 40 -0.745 -7.414 -5.633 1.00 0.00 C ATOM 575 C ILE A 40 0.640 -6.887 -5.259 1.00 0.00 C ATOM 576 O ILE A 40 1.212 -6.070 -5.970 1.00 0.00 O ATOM 577 CB ILE A 40 -1.619 -6.240 -6.143 1.00 0.00 C ATOM 578 CG1 ILE A 40 -2.111 -5.365 -4.983 1.00 0.00 C ATOM 579 CG2 ILE A 40 -2.796 -6.760 -6.955 1.00 0.00 C ATOM 580 CD1 ILE A 40 -1.148 -4.277 -4.568 1.00 0.00 C ATOM 0 H ILE A 40 -1.232 -7.722 -3.606 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.632 -8.145 -6.433 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.997 -5.620 -6.789 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.058 -4.906 -5.267 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.311 -6.003 -4.122 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.397 -5.920 -7.304 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.426 -7.322 -7.812 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -3.409 -7.411 -6.331 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.576 -3.708 -3.743 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -0.207 -4.726 -4.250 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.965 -3.612 -5.412 1.00 0.00 H new ATOM 592 N ILE A 41 1.170 -7.333 -4.138 1.00 0.00 N ATOM 593 CA ILE A 41 2.490 -6.903 -3.691 1.00 0.00 C ATOM 594 C ILE A 41 3.337 -8.123 -3.388 1.00 0.00 C ATOM 595 O ILE A 41 2.893 -9.022 -2.677 1.00 0.00 O ATOM 596 CB ILE A 41 2.423 -5.998 -2.441 1.00 0.00 C ATOM 597 CG1 ILE A 41 1.643 -4.718 -2.750 1.00 0.00 C ATOM 598 CG2 ILE A 41 3.816 -5.662 -1.924 1.00 0.00 C ATOM 599 CD1 ILE A 41 2.081 -3.529 -1.925 1.00 0.00 C ATOM 0 H ILE A 41 0.709 -7.996 -3.514 1.00 0.00 H new ATOM 0 HA ILE A 41 2.935 -6.316 -4.494 1.00 0.00 H new ATOM 0 HB ILE A 41 1.900 -6.547 -1.658 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.758 -4.478 -3.807 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.582 -4.898 -2.578 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.733 -5.024 -1.044 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.337 -6.582 -1.658 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.376 -5.140 -2.700 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.485 -2.658 -2.197 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.940 -3.749 -0.867 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.134 -3.322 -2.115 1.00 0.00 H new ATOM 611 N GLY A 42 4.540 -8.165 -3.929 1.00 0.00 N ATOM 612 CA GLY A 42 5.398 -9.311 -3.705 1.00 0.00 C ATOM 613 C GLY A 42 6.775 -8.925 -3.214 1.00 0.00 C ATOM 614 O GLY A 42 7.217 -7.797 -3.412 1.00 0.00 O ATOM 0 H GLY A 42 4.939 -7.433 -4.516 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.930 -9.973 -2.976 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.493 -9.875 -4.633 1.00 0.00 H new ATOM 618 N ASN A 43 7.439 -9.858 -2.546 1.00 0.00 N ATOM 619 CA ASN A 43 8.785 -9.632 -2.039 1.00 0.00 C ATOM 620 C ASN A 43 9.772 -10.471 -2.828 1.00 0.00 C ATOM 621 O ASN A 43 9.802 -11.698 -2.716 1.00 0.00 O ATOM 622 CB ASN A 43 8.883 -9.964 -0.543 1.00 0.00 C ATOM 623 CG ASN A 43 10.323 -10.034 -0.044 1.00 0.00 C ATOM 624 OD1 ASN A 43 11.216 -9.369 -0.572 1.00 0.00 O ATOM 625 ND2 ASN A 43 10.553 -10.831 0.990 1.00 0.00 N ATOM 0 H ASN A 43 7.064 -10.784 -2.342 1.00 0.00 H new ATOM 0 HA ASN A 43 9.025 -8.576 -2.160 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.342 -9.209 0.028 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.392 -10.919 -0.355 1.00 0.00 H new ATOM 0 HD21 ASN A 43 11.495 -10.909 1.374 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.788 -11.366 1.401 1.00 0.00 H new ATOM 632 N ASN A 44 10.563 -9.806 -3.645 1.00 0.00 N ATOM 633 CA ASN A 44 11.555 -10.486 -4.456 1.00 0.00 C ATOM 634 C ASN A 44 12.927 -10.362 -3.811 1.00 0.00 C ATOM 635 O ASN A 44 13.704 -9.469 -4.154 1.00 0.00 O ATOM 636 CB ASN A 44 11.578 -9.911 -5.875 1.00 0.00 C ATOM 637 CG ASN A 44 12.452 -10.717 -6.817 1.00 0.00 C ATOM 638 OD1 ASN A 44 11.984 -11.651 -7.467 1.00 0.00 O ATOM 639 ND2 ASN A 44 13.723 -10.366 -6.899 1.00 0.00 N ATOM 0 H ASN A 44 10.539 -8.793 -3.766 1.00 0.00 H new ATOM 0 HA ASN A 44 11.289 -11.541 -4.520 1.00 0.00 H new ATOM 0 HB2 ASN A 44 10.561 -9.879 -6.267 1.00 0.00 H new ATOM 0 HB3 ASN A 44 11.939 -8.883 -5.841 1.00 0.00 H new ATOM 0 HD21 ASN A 44 14.354 -10.876 -7.518 1.00 0.00 H new ATOM 0 HD22 ASN A 44 14.073 -9.585 -6.344 1.00 0.00 H new ATOM 646 N ASP A 45 13.187 -11.240 -2.844 1.00 0.00 N ATOM 647 CA ASP A 45 14.462 -11.275 -2.123 1.00 0.00 C ATOM 648 C ASP A 45 14.856 -9.908 -1.579 1.00 0.00 C ATOM 649 O ASP A 45 15.891 -9.362 -1.955 1.00 0.00 O ATOM 650 CB ASP A 45 15.584 -11.810 -3.020 1.00 0.00 C ATOM 651 CG ASP A 45 15.709 -13.315 -2.962 1.00 0.00 C ATOM 652 OD1 ASP A 45 14.965 -14.011 -3.681 1.00 0.00 O ATOM 653 OD2 ASP A 45 16.565 -13.813 -2.199 1.00 0.00 O ATOM 0 H ASP A 45 12.521 -11.948 -2.537 1.00 0.00 H new ATOM 0 HA ASP A 45 14.321 -11.947 -1.277 1.00 0.00 H new ATOM 0 HB2 ASP A 45 15.398 -11.504 -4.050 1.00 0.00 H new ATOM 0 HB3 ASP A 45 16.530 -11.359 -2.720 1.00 0.00 H new ATOM 658 N GLY A 46 14.032 -9.346 -0.709 1.00 0.00 N ATOM 659 CA GLY A 46 14.360 -8.059 -0.139 1.00 0.00 C ATOM 660 C GLY A 46 14.098 -6.911 -1.096 1.00 0.00 C ATOM 661 O GLY A 46 14.845 -5.934 -1.123 1.00 0.00 O ATOM 0 H GLY A 46 13.152 -9.753 -0.391 1.00 0.00 H new ATOM 0 HA2 GLY A 46 13.777 -7.909 0.770 1.00 0.00 H new ATOM 0 HA3 GLY A 46 15.411 -8.052 0.152 1.00 0.00 H new ATOM 665 N HIS A 47 13.040 -7.031 -1.890 1.00 0.00 N ATOM 666 CA HIS A 47 12.674 -5.987 -2.843 1.00 0.00 C ATOM 667 C HIS A 47 11.181 -6.048 -3.162 1.00 0.00 C ATOM 668 O HIS A 47 10.685 -7.074 -3.624 1.00 0.00 O ATOM 669 CB HIS A 47 13.487 -6.131 -4.136 1.00 0.00 C ATOM 670 CG HIS A 47 13.245 -5.031 -5.126 1.00 0.00 C ATOM 671 ND1 HIS A 47 12.550 -5.209 -6.302 1.00 0.00 N ATOM 672 CD2 HIS A 47 13.614 -3.729 -5.106 1.00 0.00 C ATOM 673 CE1 HIS A 47 12.505 -4.067 -6.961 1.00 0.00 C ATOM 674 NE2 HIS A 47 13.141 -3.151 -6.258 1.00 0.00 N ATOM 0 H HIS A 47 12.420 -7.841 -1.893 1.00 0.00 H new ATOM 0 HA HIS A 47 12.898 -5.022 -2.389 1.00 0.00 H new ATOM 0 HB2 HIS A 47 14.548 -6.157 -3.887 1.00 0.00 H new ATOM 0 HB3 HIS A 47 13.246 -7.087 -4.602 1.00 0.00 H new ATOM 0 HD2 HIS A 47 14.177 -3.236 -4.327 1.00 0.00 H new ATOM 0 HE1 HIS A 47 12.027 -3.909 -7.917 1.00 0.00 H new ATOM 0 HE2 HIS A 47 13.262 -2.174 -6.526 1.00 0.00 H new ATOM 683 N PHE A 48 10.472 -4.956 -2.900 1.00 0.00 N ATOM 684 CA PHE A 48 9.040 -4.887 -3.182 1.00 0.00 C ATOM 685 C PHE A 48 8.773 -4.965 -4.676 1.00 0.00 C ATOM 686 O PHE A 48 9.480 -4.355 -5.482 1.00 0.00 O ATOM 687 CB PHE A 48 8.425 -3.601 -2.631 1.00 0.00 C ATOM 688 CG PHE A 48 8.222 -3.612 -1.146 1.00 0.00 C ATOM 689 CD1 PHE A 48 7.311 -4.478 -0.566 1.00 0.00 C ATOM 690 CD2 PHE A 48 8.932 -2.750 -0.333 1.00 0.00 C ATOM 691 CE1 PHE A 48 7.115 -4.484 0.801 1.00 0.00 C ATOM 692 CE2 PHE A 48 8.741 -2.753 1.035 1.00 0.00 C ATOM 693 CZ PHE A 48 7.832 -3.620 1.603 1.00 0.00 C ATOM 0 H PHE A 48 10.863 -4.106 -2.493 1.00 0.00 H new ATOM 0 HA PHE A 48 8.578 -5.742 -2.688 1.00 0.00 H new ATOM 0 HB2 PHE A 48 9.068 -2.761 -2.894 1.00 0.00 H new ATOM 0 HB3 PHE A 48 7.465 -3.432 -3.118 1.00 0.00 H new ATOM 0 HD1 PHE A 48 6.747 -5.156 -1.189 1.00 0.00 H new ATOM 0 HD2 PHE A 48 9.644 -2.067 -0.772 1.00 0.00 H new ATOM 0 HE1 PHE A 48 6.401 -5.164 1.242 1.00 0.00 H new ATOM 0 HE2 PHE A 48 9.304 -2.076 1.660 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.682 -3.623 2.672 1.00 0.00 H new ATOM 703 N GLN A 49 7.751 -5.717 -5.033 1.00 0.00 N ATOM 704 CA GLN A 49 7.368 -5.891 -6.415 1.00 0.00 C ATOM 705 C GLN A 49 5.878 -5.651 -6.595 1.00 0.00 C ATOM 706 O GLN A 49 5.051 -6.357 -6.006 1.00 0.00 O ATOM 707 CB GLN A 49 7.732 -7.304 -6.885 1.00 0.00 C ATOM 708 CG GLN A 49 6.914 -7.786 -8.073 1.00 0.00 C ATOM 709 CD GLN A 49 7.353 -9.145 -8.570 1.00 0.00 C ATOM 710 OE1 GLN A 49 6.864 -10.177 -8.109 1.00 0.00 O ATOM 711 NE2 GLN A 49 8.271 -9.159 -9.518 1.00 0.00 N ATOM 0 H GLN A 49 7.164 -6.224 -4.371 1.00 0.00 H new ATOM 0 HA GLN A 49 7.909 -5.162 -7.018 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.789 -7.327 -7.150 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.596 -7.999 -6.056 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.862 -7.829 -7.791 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.997 -7.063 -8.884 1.00 0.00 H new ATOM 0 HE21 GLN A 49 8.651 -8.281 -9.873 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.601 -10.047 -9.896 1.00 0.00 H new ATOM 720 N TRP A 50 5.538 -4.633 -7.370 1.00 0.00 N ATOM 721 CA TRP A 50 4.145 -4.347 -7.651 1.00 0.00 C ATOM 722 C TRP A 50 3.610 -5.426 -8.583 1.00 0.00 C ATOM 723 O TRP A 50 4.051 -5.556 -9.724 1.00 0.00 O ATOM 724 CB TRP A 50 3.978 -2.957 -8.282 1.00 0.00 C ATOM 725 CG TRP A 50 4.097 -1.835 -7.296 1.00 0.00 C ATOM 726 CD1 TRP A 50 5.105 -0.916 -7.202 1.00 0.00 C ATOM 727 CD2 TRP A 50 3.167 -1.517 -6.257 1.00 0.00 C ATOM 728 NE1 TRP A 50 4.850 -0.043 -6.168 1.00 0.00 N ATOM 729 CE2 TRP A 50 3.667 -0.395 -5.575 1.00 0.00 C ATOM 730 CE3 TRP A 50 1.954 -2.075 -5.841 1.00 0.00 C ATOM 731 CZ2 TRP A 50 2.998 0.180 -4.501 1.00 0.00 C ATOM 732 CZ3 TRP A 50 1.292 -1.504 -4.773 1.00 0.00 C ATOM 733 CH2 TRP A 50 1.815 -0.386 -4.115 1.00 0.00 C ATOM 0 H TRP A 50 6.203 -3.998 -7.811 1.00 0.00 H new ATOM 0 HA TRP A 50 3.581 -4.346 -6.718 1.00 0.00 H new ATOM 0 HB2 TRP A 50 4.730 -2.827 -9.060 1.00 0.00 H new ATOM 0 HB3 TRP A 50 3.004 -2.902 -8.768 1.00 0.00 H new ATOM 0 HD1 TRP A 50 5.973 -0.880 -7.844 1.00 0.00 H new ATOM 0 HE1 TRP A 50 5.445 0.738 -5.890 1.00 0.00 H new ATOM 0 HE3 TRP A 50 1.543 -2.937 -6.346 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 3.398 1.043 -3.990 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 0.356 -1.927 -4.440 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.272 0.039 -3.284 1.00 0.00 H new ATOM 744 N GLY A 51 2.676 -6.208 -8.077 1.00 0.00 N ATOM 745 CA GLY A 51 2.091 -7.284 -8.851 1.00 0.00 C ATOM 746 C GLY A 51 2.717 -8.625 -8.516 1.00 0.00 C ATOM 747 O GLY A 51 2.773 -9.519 -9.360 1.00 0.00 O ATOM 0 H GLY A 51 2.306 -6.117 -7.131 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.018 -7.326 -8.662 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.219 -7.078 -9.914 1.00 0.00 H new ATOM 751 N GLY A 52 3.189 -8.768 -7.279 1.00 0.00 N ATOM 752 CA GLY A 52 3.817 -10.008 -6.866 1.00 0.00 C ATOM 753 C GLY A 52 2.883 -10.935 -6.111 1.00 0.00 C ATOM 754 O GLY A 52 2.749 -12.103 -6.480 1.00 0.00 O ATOM 0 H GLY A 52 3.147 -8.047 -6.558 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.196 -10.525 -7.747 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.677 -9.779 -6.236 1.00 0.00 H new ATOM 758 N GLN A 53 2.247 -10.408 -5.056 1.00 0.00 N ATOM 759 CA GLN A 53 1.319 -11.172 -4.208 1.00 0.00 C ATOM 760 C GLN A 53 2.076 -12.096 -3.243 1.00 0.00 C ATOM 761 O GLN A 53 3.127 -12.645 -3.576 1.00 0.00 O ATOM 762 CB GLN A 53 0.307 -11.947 -5.065 1.00 0.00 C ATOM 763 CG GLN A 53 -0.308 -13.158 -4.380 1.00 0.00 C ATOM 764 CD GLN A 53 -1.127 -14.015 -5.323 1.00 0.00 C ATOM 765 OE1 GLN A 53 -0.733 -14.058 -6.585 1.00 0.00 O flip ATOM 766 NE2 GLN A 53 -2.102 -14.648 -4.918 1.00 0.00 N flip ATOM 0 H GLN A 53 2.361 -9.437 -4.765 1.00 0.00 H new ATOM 0 HA GLN A 53 0.758 -10.464 -3.598 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.493 -11.269 -5.361 1.00 0.00 H new ATOM 0 HB3 GLN A 53 0.801 -12.275 -5.979 1.00 0.00 H new ATOM 0 HG2 GLN A 53 0.486 -13.764 -3.943 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.942 -12.822 -3.559 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -2.376 -14.590 -3.937 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -2.636 -15.230 -5.563 1.00 0.00 H new ATOM 775 N ASN A 54 1.536 -12.209 -2.026 1.00 0.00 N ATOM 776 CA ASN A 54 2.100 -13.046 -0.959 1.00 0.00 C ATOM 777 C ASN A 54 3.444 -12.525 -0.476 1.00 0.00 C ATOM 778 O ASN A 54 4.350 -13.293 -0.168 1.00 0.00 O ATOM 779 CB ASN A 54 2.226 -14.513 -1.382 1.00 0.00 C ATOM 780 CG ASN A 54 0.916 -15.266 -1.266 1.00 0.00 C ATOM 781 OD1 ASN A 54 -0.157 -14.715 -1.509 1.00 0.00 O ATOM 782 ND2 ASN A 54 0.993 -16.523 -0.856 1.00 0.00 N ATOM 0 H ASN A 54 0.686 -11.717 -1.749 1.00 0.00 H new ATOM 0 HA ASN A 54 1.395 -12.992 -0.130 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.579 -14.562 -2.412 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.979 -15.003 -0.764 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.142 -17.072 -0.731 1.00 0.00 H new ATOM 0 HD22 ASN A 54 1.903 -16.942 -0.665 1.00 0.00 H new ATOM 789 N PHE A 55 3.569 -11.216 -0.384 1.00 0.00 N ATOM 790 CA PHE A 55 4.809 -10.616 0.081 1.00 0.00 C ATOM 791 C PHE A 55 4.866 -10.697 1.594 1.00 0.00 C ATOM 792 O PHE A 55 5.933 -10.793 2.185 1.00 0.00 O ATOM 793 CB PHE A 55 4.921 -9.157 -0.389 1.00 0.00 C ATOM 794 CG PHE A 55 4.224 -8.147 0.484 1.00 0.00 C ATOM 795 CD1 PHE A 55 2.851 -7.969 0.410 1.00 0.00 C ATOM 796 CD2 PHE A 55 4.951 -7.361 1.366 1.00 0.00 C ATOM 797 CE1 PHE A 55 2.219 -7.031 1.203 1.00 0.00 C ATOM 798 CE2 PHE A 55 4.324 -6.423 2.159 1.00 0.00 C ATOM 799 CZ PHE A 55 2.957 -6.256 2.078 1.00 0.00 C ATOM 0 H PHE A 55 2.835 -10.550 -0.622 1.00 0.00 H new ATOM 0 HA PHE A 55 5.651 -11.164 -0.341 1.00 0.00 H new ATOM 0 HB2 PHE A 55 5.977 -8.892 -0.452 1.00 0.00 H new ATOM 0 HB3 PHE A 55 4.514 -9.085 -1.397 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.270 -8.570 -0.274 1.00 0.00 H new ATOM 0 HD2 PHE A 55 6.022 -7.485 1.433 1.00 0.00 H new ATOM 0 HE1 PHE A 55 1.148 -6.903 1.139 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.903 -5.820 2.843 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.464 -5.521 2.697 1.00 0.00 H new ATOM 809 N THR A 56 3.688 -10.707 2.200 1.00 0.00 N ATOM 810 CA THR A 56 3.553 -10.763 3.642 1.00 0.00 C ATOM 811 C THR A 56 4.070 -12.082 4.203 1.00 0.00 C ATOM 812 O THR A 56 4.485 -12.153 5.360 1.00 0.00 O ATOM 813 CB THR A 56 2.080 -10.581 4.037 1.00 0.00 C ATOM 814 OG1 THR A 56 1.262 -11.511 3.310 1.00 0.00 O ATOM 815 CG2 THR A 56 1.622 -9.164 3.749 1.00 0.00 C ATOM 0 H THR A 56 2.799 -10.676 1.701 1.00 0.00 H new ATOM 0 HA THR A 56 4.153 -9.956 4.063 1.00 0.00 H new ATOM 0 HB THR A 56 1.982 -10.770 5.106 1.00 0.00 H new ATOM 0 HG1 THR A 56 1.182 -12.344 3.820 1.00 0.00 H new ATOM 0 HG21 THR A 56 0.576 -9.054 4.035 1.00 0.00 H new ATOM 0 HG22 THR A 56 2.230 -8.462 4.320 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.730 -8.956 2.685 1.00 0.00 H new ATOM 823 N GLU A 57 4.063 -13.124 3.374 1.00 0.00 N ATOM 824 CA GLU A 57 4.531 -14.431 3.809 1.00 0.00 C ATOM 825 C GLU A 57 6.052 -14.431 3.947 1.00 0.00 C ATOM 826 O GLU A 57 6.635 -15.354 4.514 1.00 0.00 O ATOM 827 CB GLU A 57 4.085 -15.532 2.838 1.00 0.00 C ATOM 828 CG GLU A 57 4.927 -15.637 1.585 1.00 0.00 C ATOM 829 CD GLU A 57 4.725 -16.948 0.853 1.00 0.00 C ATOM 830 OE1 GLU A 57 3.702 -17.104 0.156 1.00 0.00 O ATOM 831 OE2 GLU A 57 5.593 -17.838 0.982 1.00 0.00 O ATOM 0 H GLU A 57 3.741 -13.087 2.407 1.00 0.00 H new ATOM 0 HA GLU A 57 4.087 -14.640 4.782 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.108 -16.490 3.358 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.049 -15.349 2.551 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.682 -14.811 0.917 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.979 -15.532 1.849 1.00 0.00 H new ATOM 838 N THR A 58 6.685 -13.387 3.423 1.00 0.00 N ATOM 839 CA THR A 58 8.127 -13.257 3.485 1.00 0.00 C ATOM 840 C THR A 58 8.499 -11.872 4.002 1.00 0.00 C ATOM 841 O THR A 58 9.634 -11.421 3.861 1.00 0.00 O ATOM 842 CB THR A 58 8.764 -13.478 2.099 1.00 0.00 C ATOM 843 OG1 THR A 58 8.280 -12.494 1.180 1.00 0.00 O ATOM 844 CG2 THR A 58 8.429 -14.857 1.556 1.00 0.00 C ATOM 0 H THR A 58 6.214 -12.617 2.949 1.00 0.00 H new ATOM 0 HA THR A 58 8.508 -14.019 4.165 1.00 0.00 H new ATOM 0 HB THR A 58 9.845 -13.393 2.211 1.00 0.00 H new ATOM 0 HG1 THR A 58 7.566 -11.973 1.604 1.00 0.00 H new ATOM 0 HG21 THR A 58 8.892 -14.985 0.577 1.00 0.00 H new ATOM 0 HG22 THR A 58 8.807 -15.618 2.238 1.00 0.00 H new ATOM 0 HG23 THR A 58 7.348 -14.958 1.462 1.00 0.00 H new ATOM 852 N ALA A 59 7.520 -11.200 4.592 1.00 0.00 N ATOM 853 CA ALA A 59 7.722 -9.866 5.132 1.00 0.00 C ATOM 854 C ALA A 59 7.250 -9.780 6.576 1.00 0.00 C ATOM 855 O ALA A 59 6.258 -10.402 6.966 1.00 0.00 O ATOM 856 CB ALA A 59 7.010 -8.825 4.283 1.00 0.00 C ATOM 0 H ALA A 59 6.573 -11.561 4.708 1.00 0.00 H new ATOM 0 HA ALA A 59 8.792 -9.660 5.110 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.176 -7.835 4.707 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.402 -8.855 3.266 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.941 -9.038 4.266 1.00 0.00 H new ATOM 862 N GLU A 60 7.971 -8.996 7.352 1.00 0.00 N ATOM 863 CA GLU A 60 7.674 -8.797 8.761 1.00 0.00 C ATOM 864 C GLU A 60 7.753 -7.315 9.086 1.00 0.00 C ATOM 865 O GLU A 60 8.155 -6.531 8.237 1.00 0.00 O ATOM 866 CB GLU A 60 8.663 -9.580 9.632 1.00 0.00 C ATOM 867 CG GLU A 60 9.839 -10.165 8.857 1.00 0.00 C ATOM 868 CD GLU A 60 10.914 -10.734 9.761 1.00 0.00 C ATOM 869 OE1 GLU A 60 11.591 -9.947 10.452 1.00 0.00 O ATOM 870 OE2 GLU A 60 11.090 -11.972 9.781 1.00 0.00 O ATOM 0 H GLU A 60 8.784 -8.475 7.024 1.00 0.00 H new ATOM 0 HA GLU A 60 6.669 -9.163 8.970 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.046 -8.922 10.412 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.131 -10.390 10.131 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.476 -10.950 8.193 1.00 0.00 H new ATOM 0 HG3 GLU A 60 10.274 -9.390 8.226 1.00 0.00 H new ATOM 877 N ASP A 61 7.369 -6.949 10.304 1.00 0.00 N ATOM 878 CA ASP A 61 7.400 -5.552 10.760 1.00 0.00 C ATOM 879 C ASP A 61 6.808 -4.619 9.708 1.00 0.00 C ATOM 880 O ASP A 61 7.443 -3.654 9.284 1.00 0.00 O ATOM 881 CB ASP A 61 8.838 -5.136 11.061 1.00 0.00 C ATOM 882 CG ASP A 61 8.959 -4.289 12.307 1.00 0.00 C ATOM 883 OD1 ASP A 61 8.498 -4.735 13.377 1.00 0.00 O ATOM 884 OD2 ASP A 61 9.530 -3.182 12.224 1.00 0.00 O ATOM 0 H ASP A 61 7.027 -7.605 11.006 1.00 0.00 H new ATOM 0 HA ASP A 61 6.799 -5.477 11.666 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.453 -6.029 11.174 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.235 -4.581 10.211 1.00 0.00 H new ATOM 889 N ILE A 62 5.592 -4.916 9.291 1.00 0.00 N ATOM 890 CA ILE A 62 4.923 -4.137 8.266 1.00 0.00 C ATOM 891 C ILE A 62 4.126 -2.979 8.864 1.00 0.00 C ATOM 892 O ILE A 62 3.145 -3.188 9.579 1.00 0.00 O ATOM 893 CB ILE A 62 3.993 -5.030 7.422 1.00 0.00 C ATOM 894 CG1 ILE A 62 4.638 -6.404 7.220 1.00 0.00 C ATOM 895 CG2 ILE A 62 3.705 -4.370 6.082 1.00 0.00 C ATOM 896 CD1 ILE A 62 3.951 -7.265 6.182 1.00 0.00 C ATOM 0 H ILE A 62 5.043 -5.698 9.650 1.00 0.00 H new ATOM 0 HA ILE A 62 5.698 -3.719 7.624 1.00 0.00 H new ATOM 0 HB ILE A 62 3.048 -5.161 7.948 1.00 0.00 H new ATOM 0 HG12 ILE A 62 5.679 -6.265 6.929 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.641 -6.935 8.172 1.00 0.00 H new ATOM 0 HG21 ILE A 62 3.047 -5.011 5.495 1.00 0.00 H new ATOM 0 HG22 ILE A 62 3.221 -3.407 6.247 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.640 -4.219 5.543 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.470 -8.220 6.100 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.917 -7.438 6.480 1.00 0.00 H new ATOM 0 HD13 ILE A 62 3.971 -6.758 5.217 1.00 0.00 H new ATOM 908 N ARG A 63 4.577 -1.762 8.583 1.00 0.00 N ATOM 909 CA ARG A 63 3.920 -0.549 9.065 1.00 0.00 C ATOM 910 C ARG A 63 3.720 0.424 7.911 1.00 0.00 C ATOM 911 O ARG A 63 4.677 0.778 7.215 1.00 0.00 O ATOM 912 CB ARG A 63 4.742 0.109 10.177 1.00 0.00 C ATOM 913 CG ARG A 63 6.242 0.053 9.935 1.00 0.00 C ATOM 914 CD ARG A 63 6.943 -0.728 11.033 1.00 0.00 C ATOM 915 NE ARG A 63 6.223 -1.954 11.368 1.00 0.00 N ATOM 916 CZ ARG A 63 6.007 -2.376 12.614 1.00 0.00 C ATOM 917 NH1 ARG A 63 6.430 -1.658 13.648 1.00 0.00 N ATOM 918 NH2 ARG A 63 5.356 -3.512 12.824 1.00 0.00 N ATOM 0 H ARG A 63 5.407 -1.587 8.016 1.00 0.00 H new ATOM 0 HA ARG A 63 2.948 -0.820 9.476 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.436 1.151 10.276 1.00 0.00 H new ATOM 0 HB3 ARG A 63 4.516 -0.381 11.124 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.441 -0.412 8.970 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.645 1.065 9.890 1.00 0.00 H new ATOM 0 HD2 ARG A 63 7.955 -0.976 10.714 1.00 0.00 H new ATOM 0 HD3 ARG A 63 7.033 -0.104 11.922 1.00 0.00 H new ATOM 0 HE ARG A 63 5.863 -2.522 10.601 1.00 0.00 H new ATOM 0 HH11 ARG A 63 6.923 -0.779 13.491 1.00 0.00 H new ATOM 0 HH12 ARG A 63 6.262 -1.986 14.599 1.00 0.00 H new ATOM 0 HH21 ARG A 63 5.021 -4.062 12.033 1.00 0.00 H new ATOM 0 HH22 ARG A 63 5.190 -3.836 13.777 1.00 0.00 H new ATOM 932 N PHE A 64 2.487 0.854 7.703 1.00 0.00 N ATOM 933 CA PHE A 64 2.178 1.760 6.613 1.00 0.00 C ATOM 934 C PHE A 64 2.233 3.223 7.039 1.00 0.00 C ATOM 935 O PHE A 64 1.707 3.610 8.085 1.00 0.00 O ATOM 936 CB PHE A 64 0.798 1.432 6.039 1.00 0.00 C ATOM 937 CG PHE A 64 0.343 2.406 4.995 1.00 0.00 C ATOM 938 CD1 PHE A 64 1.171 2.751 3.939 1.00 0.00 C ATOM 939 CD2 PHE A 64 -0.902 2.996 5.084 1.00 0.00 C ATOM 940 CE1 PHE A 64 0.760 3.665 2.993 1.00 0.00 C ATOM 941 CE2 PHE A 64 -1.317 3.909 4.141 1.00 0.00 C ATOM 942 CZ PHE A 64 -0.485 4.243 3.094 1.00 0.00 C ATOM 0 H PHE A 64 1.685 0.590 8.275 1.00 0.00 H new ATOM 0 HA PHE A 64 2.941 1.619 5.847 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.820 0.431 5.607 1.00 0.00 H new ATOM 0 HB3 PHE A 64 0.070 1.413 6.850 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.148 2.299 3.856 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -1.558 2.738 5.903 1.00 0.00 H new ATOM 0 HE1 PHE A 64 1.413 3.927 2.174 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -2.294 4.363 4.221 1.00 0.00 H new ATOM 0 HZ PHE A 64 -0.810 4.958 2.353 1.00 0.00 H new ATOM 952 N HIS A 65 2.892 4.028 6.210 1.00 0.00 N ATOM 953 CA HIS A 65 3.002 5.466 6.441 1.00 0.00 C ATOM 954 C HIS A 65 2.320 6.199 5.281 1.00 0.00 C ATOM 955 O HIS A 65 2.959 6.537 4.285 1.00 0.00 O ATOM 956 CB HIS A 65 4.475 5.888 6.574 1.00 0.00 C ATOM 957 CG HIS A 65 4.667 7.261 7.155 1.00 0.00 C ATOM 958 ND1 HIS A 65 5.840 7.975 7.035 1.00 0.00 N ATOM 959 CD2 HIS A 65 3.838 8.036 7.894 1.00 0.00 C ATOM 960 CE1 HIS A 65 5.722 9.122 7.673 1.00 0.00 C ATOM 961 NE2 HIS A 65 4.517 9.188 8.202 1.00 0.00 N ATOM 0 H HIS A 65 3.362 3.705 5.364 1.00 0.00 H new ATOM 0 HA HIS A 65 2.508 5.728 7.377 1.00 0.00 H new ATOM 0 HB2 HIS A 65 4.995 5.163 7.201 1.00 0.00 H new ATOM 0 HB3 HIS A 65 4.943 5.852 5.590 1.00 0.00 H new ATOM 0 HD2 HIS A 65 2.828 7.792 8.187 1.00 0.00 H new ATOM 0 HE1 HIS A 65 6.486 9.882 7.750 1.00 0.00 H new ATOM 0 HE2 HIS A 65 4.150 9.966 8.750 1.00 0.00 H new ATOM 970 N PRO A 66 1.000 6.428 5.406 1.00 0.00 N ATOM 971 CA PRO A 66 0.171 7.078 4.370 1.00 0.00 C ATOM 972 C PRO A 66 0.622 8.464 3.982 1.00 0.00 C ATOM 973 O PRO A 66 0.615 8.841 2.816 1.00 0.00 O ATOM 974 CB PRO A 66 -1.214 7.176 5.011 1.00 0.00 C ATOM 975 CG PRO A 66 -1.008 6.939 6.465 1.00 0.00 C ATOM 976 CD PRO A 66 0.197 6.052 6.578 1.00 0.00 C ATOM 0 HA PRO A 66 0.220 6.498 3.448 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -1.658 8.156 4.834 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -1.894 6.437 4.587 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -0.850 7.879 6.994 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -1.883 6.465 6.910 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.738 6.224 7.509 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.076 4.997 6.558 1.00 0.00 H new ATOM 984 N LYS A 67 0.967 9.227 4.969 1.00 0.00 N ATOM 985 CA LYS A 67 1.393 10.595 4.739 1.00 0.00 C ATOM 986 C LYS A 67 2.772 10.855 5.313 1.00 0.00 C ATOM 987 O LYS A 67 2.918 11.271 6.462 1.00 0.00 O ATOM 988 CB LYS A 67 0.372 11.582 5.305 1.00 0.00 C ATOM 989 CG LYS A 67 -1.012 11.425 4.692 1.00 0.00 C ATOM 990 CD LYS A 67 -1.986 10.778 5.659 1.00 0.00 C ATOM 991 CE LYS A 67 -2.349 11.723 6.795 1.00 0.00 C ATOM 992 NZ LYS A 67 -3.014 12.960 6.296 1.00 0.00 N ATOM 0 H LYS A 67 0.967 8.938 5.947 1.00 0.00 H new ATOM 0 HA LYS A 67 1.455 10.744 3.661 1.00 0.00 H new ATOM 0 HB2 LYS A 67 0.303 11.445 6.384 1.00 0.00 H new ATOM 0 HB3 LYS A 67 0.725 12.599 5.135 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.391 12.403 4.394 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.943 10.821 3.787 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.890 10.484 5.125 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -1.546 9.868 6.067 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.010 11.212 7.495 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -1.448 11.992 7.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -3.526 13.418 7.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -2.296 13.613 5.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -3.684 12.713 5.540 1.00 0.00 H new ATOM 1063 N GLN A 73 3.409 11.549 1.484 1.00 0.00 N ATOM 1064 CA GLN A 73 3.649 10.508 0.497 1.00 0.00 C ATOM 1065 C GLN A 73 3.412 9.135 1.113 1.00 0.00 C ATOM 1066 O GLN A 73 4.065 8.769 2.091 1.00 0.00 O ATOM 1067 CB GLN A 73 5.080 10.601 -0.042 1.00 0.00 C ATOM 1068 CG GLN A 73 5.348 11.860 -0.848 1.00 0.00 C ATOM 1069 CD GLN A 73 4.502 11.941 -2.104 1.00 0.00 C ATOM 1070 OE1 GLN A 73 4.902 11.474 -3.169 1.00 0.00 O ATOM 1071 NE2 GLN A 73 3.323 12.535 -1.990 1.00 0.00 N ATOM 0 HA GLN A 73 2.954 10.649 -0.331 1.00 0.00 H new ATOM 0 HB2 GLN A 73 5.777 10.561 0.795 1.00 0.00 H new ATOM 0 HB3 GLN A 73 5.281 9.731 -0.667 1.00 0.00 H new ATOM 0 HG2 GLN A 73 5.152 12.733 -0.226 1.00 0.00 H new ATOM 0 HG3 GLN A 73 6.402 11.894 -1.122 1.00 0.00 H new ATOM 0 HE21 GLN A 73 3.026 12.910 -1.089 1.00 0.00 H new ATOM 0 HE22 GLN A 73 2.713 12.617 -2.803 1.00 0.00 H new ATOM 1080 N PRO A 74 2.447 8.379 0.581 1.00 0.00 N ATOM 1081 CA PRO A 74 2.142 7.041 1.076 1.00 0.00 C ATOM 1082 C PRO A 74 3.213 6.039 0.698 1.00 0.00 C ATOM 1083 O PRO A 74 3.380 5.693 -0.469 1.00 0.00 O ATOM 1084 CB PRO A 74 0.821 6.697 0.392 1.00 0.00 C ATOM 1085 CG PRO A 74 0.835 7.499 -0.862 1.00 0.00 C ATOM 1086 CD PRO A 74 1.557 8.775 -0.521 1.00 0.00 C ATOM 0 HA PRO A 74 2.088 7.009 2.164 1.00 0.00 H new ATOM 0 HB2 PRO A 74 0.749 5.630 0.181 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -0.031 6.956 1.020 1.00 0.00 H new ATOM 0 HG2 PRO A 74 1.344 6.963 -1.664 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -0.178 7.703 -1.208 1.00 0.00 H new ATOM 0 HD2 PRO A 74 2.118 9.159 -1.373 1.00 0.00 H new ATOM 0 HD3 PRO A 74 0.864 9.559 -0.216 1.00 0.00 H new ATOM 1094 N ILE A 75 3.961 5.598 1.687 1.00 0.00 N ATOM 1095 CA ILE A 75 5.006 4.623 1.460 1.00 0.00 C ATOM 1096 C ILE A 75 4.896 3.531 2.513 1.00 0.00 C ATOM 1097 O ILE A 75 4.576 3.797 3.678 1.00 0.00 O ATOM 1098 CB ILE A 75 6.434 5.252 1.451 1.00 0.00 C ATOM 1099 CG1 ILE A 75 7.025 5.377 2.855 1.00 0.00 C ATOM 1100 CG2 ILE A 75 6.422 6.613 0.772 1.00 0.00 C ATOM 1101 CD1 ILE A 75 7.997 4.264 3.189 1.00 0.00 C ATOM 0 H ILE A 75 3.865 5.900 2.657 1.00 0.00 H new ATOM 0 HA ILE A 75 4.864 4.200 0.466 1.00 0.00 H new ATOM 0 HB ILE A 75 7.070 4.572 0.884 1.00 0.00 H new ATOM 0 HG12 ILE A 75 7.535 6.336 2.945 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.216 5.377 3.585 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.428 7.032 0.778 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.081 6.503 -0.257 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.748 7.281 1.308 1.00 0.00 H new ATOM 0 HD11 ILE A 75 8.382 4.408 4.198 1.00 0.00 H new ATOM 0 HD12 ILE A 75 7.485 3.304 3.130 1.00 0.00 H new ATOM 0 HD13 ILE A 75 8.824 4.278 2.479 1.00 0.00 H new ATOM 1113 N LEU A 76 5.120 2.305 2.099 1.00 0.00 N ATOM 1114 CA LEU A 76 5.030 1.174 3.000 1.00 0.00 C ATOM 1115 C LEU A 76 6.398 0.534 3.189 1.00 0.00 C ATOM 1116 O LEU A 76 7.077 0.201 2.221 1.00 0.00 O ATOM 1117 CB LEU A 76 4.003 0.173 2.444 1.00 0.00 C ATOM 1118 CG LEU A 76 3.752 -1.105 3.257 1.00 0.00 C ATOM 1119 CD1 LEU A 76 4.699 -2.217 2.832 1.00 0.00 C ATOM 1120 CD2 LEU A 76 3.884 -0.842 4.744 1.00 0.00 C ATOM 0 H LEU A 76 5.367 2.063 1.140 1.00 0.00 H new ATOM 0 HA LEU A 76 4.695 1.506 3.982 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.052 0.693 2.332 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.325 -0.121 1.445 1.00 0.00 H new ATOM 0 HG LEU A 76 2.730 -1.427 3.056 1.00 0.00 H new ATOM 0 HD11 LEU A 76 4.500 -3.111 3.424 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.548 -2.440 1.776 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.729 -1.898 2.992 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.701 -1.765 5.294 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.890 -0.483 4.962 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.156 -0.089 5.046 1.00 0.00 H new ATOM 1132 N ARG A 77 6.806 0.387 4.443 1.00 0.00 N ATOM 1133 CA ARG A 77 8.084 -0.229 4.760 1.00 0.00 C ATOM 1134 C ARG A 77 7.873 -1.454 5.640 1.00 0.00 C ATOM 1135 O ARG A 77 6.988 -1.477 6.499 1.00 0.00 O ATOM 1136 CB ARG A 77 9.045 0.760 5.443 1.00 0.00 C ATOM 1137 CG ARG A 77 8.748 1.045 6.913 1.00 0.00 C ATOM 1138 CD ARG A 77 7.550 1.960 7.087 1.00 0.00 C ATOM 1139 NE ARG A 77 7.731 3.233 6.388 1.00 0.00 N ATOM 1140 CZ ARG A 77 8.080 4.377 6.983 1.00 0.00 C ATOM 1141 NH1 ARG A 77 8.282 4.427 8.293 1.00 0.00 N ATOM 1142 NH2 ARG A 77 8.242 5.475 6.259 1.00 0.00 N ATOM 0 H ARG A 77 6.269 0.687 5.256 1.00 0.00 H new ATOM 0 HA ARG A 77 8.544 -0.535 3.820 1.00 0.00 H new ATOM 0 HB2 ARG A 77 10.060 0.370 5.363 1.00 0.00 H new ATOM 0 HB3 ARG A 77 9.021 1.702 4.895 1.00 0.00 H new ATOM 0 HG2 ARG A 77 8.564 0.105 7.434 1.00 0.00 H new ATOM 0 HG3 ARG A 77 9.622 1.501 7.377 1.00 0.00 H new ATOM 0 HD2 ARG A 77 6.656 1.463 6.711 1.00 0.00 H new ATOM 0 HD3 ARG A 77 7.388 2.148 8.148 1.00 0.00 H new ATOM 0 HE ARG A 77 7.581 3.248 5.379 1.00 0.00 H new ATOM 0 HH11 ARG A 77 8.171 3.585 8.859 1.00 0.00 H new ATOM 0 HH12 ARG A 77 8.548 5.307 8.735 1.00 0.00 H new ATOM 0 HH21 ARG A 77 8.100 5.446 5.249 1.00 0.00 H new ATOM 0 HH22 ARG A 77 8.508 6.349 6.711 1.00 0.00 H new ATOM 1156 N ALA A 78 8.689 -2.466 5.406 1.00 0.00 N ATOM 1157 CA ALA A 78 8.627 -3.713 6.155 1.00 0.00 C ATOM 1158 C ALA A 78 9.919 -4.495 5.971 1.00 0.00 C ATOM 1159 O ALA A 78 10.720 -4.173 5.096 1.00 0.00 O ATOM 1160 CB ALA A 78 7.448 -4.558 5.698 1.00 0.00 C ATOM 0 H ALA A 78 9.416 -2.449 4.690 1.00 0.00 H new ATOM 0 HA ALA A 78 8.496 -3.473 7.210 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.421 -5.485 6.271 1.00 0.00 H new ATOM 0 HB2 ALA A 78 6.522 -4.006 5.857 1.00 0.00 H new ATOM 0 HB3 ALA A 78 7.555 -4.789 4.638 1.00 0.00 H new ATOM 1166 N ARG A 79 10.112 -5.527 6.779 1.00 0.00 N ATOM 1167 CA ARG A 79 11.308 -6.348 6.683 1.00 0.00 C ATOM 1168 C ARG A 79 11.072 -7.427 5.644 1.00 0.00 C ATOM 1169 O ARG A 79 10.225 -8.296 5.828 1.00 0.00 O ATOM 1170 CB ARG A 79 11.653 -7.020 8.025 1.00 0.00 C ATOM 1171 CG ARG A 79 11.396 -6.169 9.260 1.00 0.00 C ATOM 1172 CD ARG A 79 12.017 -4.792 9.140 1.00 0.00 C ATOM 1173 NE ARG A 79 11.718 -3.951 10.296 1.00 0.00 N ATOM 1174 CZ ARG A 79 12.541 -3.035 10.799 1.00 0.00 C ATOM 1175 NH1 ARG A 79 13.795 -2.944 10.370 1.00 0.00 N ATOM 1176 NH2 ARG A 79 12.112 -2.247 11.772 1.00 0.00 N ATOM 0 H ARG A 79 9.457 -5.815 7.506 1.00 0.00 H new ATOM 0 HA ARG A 79 12.142 -5.703 6.404 1.00 0.00 H new ATOM 0 HB2 ARG A 79 11.076 -7.941 8.111 1.00 0.00 H new ATOM 0 HB3 ARG A 79 12.705 -7.304 8.011 1.00 0.00 H new ATOM 0 HG2 ARG A 79 10.322 -6.070 9.415 1.00 0.00 H new ATOM 0 HG3 ARG A 79 11.799 -6.673 10.138 1.00 0.00 H new ATOM 0 HD2 ARG A 79 13.097 -4.890 9.034 1.00 0.00 H new ATOM 0 HD3 ARG A 79 11.650 -4.307 8.235 1.00 0.00 H new ATOM 0 HE ARG A 79 10.813 -4.075 10.750 1.00 0.00 H new ATOM 0 HH11 ARG A 79 14.135 -3.580 9.648 1.00 0.00 H new ATOM 0 HH12 ARG A 79 14.418 -2.238 10.762 1.00 0.00 H new ATOM 0 HH21 ARG A 79 11.161 -2.346 12.127 1.00 0.00 H new ATOM 0 HH22 ARG A 79 12.732 -1.540 12.167 1.00 0.00 H new ATOM 1190 N LEU A 80 11.820 -7.369 4.559 1.00 0.00 N ATOM 1191 CA LEU A 80 11.679 -8.338 3.488 1.00 0.00 C ATOM 1192 C LEU A 80 12.721 -9.430 3.621 1.00 0.00 C ATOM 1193 O LEU A 80 13.910 -9.155 3.753 1.00 0.00 O ATOM 1194 CB LEU A 80 11.790 -7.642 2.128 1.00 0.00 C ATOM 1195 CG LEU A 80 10.464 -7.163 1.533 1.00 0.00 C ATOM 1196 CD1 LEU A 80 9.577 -6.545 2.587 1.00 0.00 C ATOM 1197 CD2 LEU A 80 10.706 -6.192 0.392 1.00 0.00 C ATOM 0 H LEU A 80 12.534 -6.659 4.395 1.00 0.00 H new ATOM 0 HA LEU A 80 10.694 -8.799 3.559 1.00 0.00 H new ATOM 0 HB2 LEU A 80 12.455 -6.785 2.229 1.00 0.00 H new ATOM 0 HB3 LEU A 80 12.260 -8.328 1.423 1.00 0.00 H new ATOM 0 HG LEU A 80 9.944 -8.035 1.136 1.00 0.00 H new ATOM 0 HD11 LEU A 80 8.644 -6.216 2.130 1.00 0.00 H new ATOM 0 HD12 LEU A 80 9.362 -7.283 3.360 1.00 0.00 H new ATOM 0 HD13 LEU A 80 10.084 -5.689 3.033 1.00 0.00 H new ATOM 0 HD21 LEU A 80 9.750 -5.864 -0.016 1.00 0.00 H new ATOM 0 HD22 LEU A 80 11.258 -5.328 0.761 1.00 0.00 H new ATOM 0 HD23 LEU A 80 11.284 -6.686 -0.389 1.00 0.00 H new ATOM 1209 N ARG A 81 12.260 -10.665 3.615 1.00 0.00 N ATOM 1210 CA ARG A 81 13.139 -11.812 3.751 1.00 0.00 C ATOM 1211 C ARG A 81 13.821 -12.159 2.435 1.00 0.00 C ATOM 1212 O ARG A 81 13.211 -12.110 1.365 1.00 0.00 O ATOM 1213 CB ARG A 81 12.352 -13.013 4.300 1.00 0.00 C ATOM 1214 CG ARG A 81 13.128 -14.327 4.339 1.00 0.00 C ATOM 1215 CD ARG A 81 12.886 -15.150 3.086 1.00 0.00 C ATOM 1216 NE ARG A 81 13.414 -16.510 3.196 1.00 0.00 N ATOM 1217 CZ ARG A 81 12.919 -17.558 2.534 1.00 0.00 C ATOM 1218 NH1 ARG A 81 11.925 -17.395 1.670 1.00 0.00 N ATOM 1219 NH2 ARG A 81 13.443 -18.762 2.715 1.00 0.00 N ATOM 0 H ARG A 81 11.273 -10.902 3.517 1.00 0.00 H new ATOM 0 HA ARG A 81 13.927 -11.554 4.458 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.015 -12.777 5.309 1.00 0.00 H new ATOM 0 HB3 ARG A 81 11.459 -13.153 3.690 1.00 0.00 H new ATOM 0 HG2 ARG A 81 14.193 -14.119 4.440 1.00 0.00 H new ATOM 0 HG3 ARG A 81 12.831 -14.901 5.216 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.815 -15.195 2.886 1.00 0.00 H new ATOM 0 HD3 ARG A 81 13.349 -14.652 2.234 1.00 0.00 H new ATOM 0 HE ARG A 81 14.209 -16.667 3.816 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.536 -16.466 1.509 1.00 0.00 H new ATOM 0 HH12 ARG A 81 11.550 -18.199 1.166 1.00 0.00 H new ATOM 0 HH21 ARG A 81 14.224 -18.887 3.360 1.00 0.00 H new ATOM 0 HH22 ARG A 81 13.066 -19.564 2.210 1.00 0.00 H new ATOM 1277 N GLU A 86 16.747 -14.286 5.922 1.00 0.00 N ATOM 1278 CA GLU A 86 17.016 -13.139 6.764 1.00 0.00 C ATOM 1279 C GLU A 86 15.983 -12.068 6.482 1.00 0.00 C ATOM 1280 O GLU A 86 14.985 -12.343 5.831 1.00 0.00 O ATOM 1281 CB GLU A 86 18.430 -12.628 6.496 1.00 0.00 C ATOM 1282 CG GLU A 86 18.645 -12.121 5.080 1.00 0.00 C ATOM 1283 CD GLU A 86 20.109 -11.941 4.754 1.00 0.00 C ATOM 1284 OE1 GLU A 86 20.692 -10.910 5.143 1.00 0.00 O ATOM 1285 OE2 GLU A 86 20.686 -12.837 4.111 1.00 0.00 O ATOM 0 HA GLU A 86 16.951 -13.417 7.816 1.00 0.00 H new ATOM 0 HB2 GLU A 86 18.654 -11.824 7.197 1.00 0.00 H new ATOM 0 HB3 GLU A 86 19.140 -13.431 6.695 1.00 0.00 H new ATOM 0 HG2 GLU A 86 18.201 -12.822 4.374 1.00 0.00 H new ATOM 0 HG3 GLU A 86 18.127 -11.170 4.954 1.00 0.00 H new ATOM 1292 N PHE A 87 16.209 -10.863 6.957 1.00 0.00 N ATOM 1293 CA PHE A 87 15.254 -9.790 6.733 1.00 0.00 C ATOM 1294 C PHE A 87 15.948 -8.476 6.488 1.00 0.00 C ATOM 1295 O PHE A 87 16.940 -8.134 7.129 1.00 0.00 O ATOM 1296 CB PHE A 87 14.266 -9.681 7.904 1.00 0.00 C ATOM 1297 CG PHE A 87 14.916 -9.467 9.249 1.00 0.00 C ATOM 1298 CD1 PHE A 87 15.405 -10.543 9.975 1.00 0.00 C ATOM 1299 CD2 PHE A 87 15.035 -8.193 9.786 1.00 0.00 C ATOM 1300 CE1 PHE A 87 16.000 -10.354 11.208 1.00 0.00 C ATOM 1301 CE2 PHE A 87 15.630 -8.000 11.019 1.00 0.00 C ATOM 1302 CZ PHE A 87 16.113 -9.081 11.729 1.00 0.00 C ATOM 0 H PHE A 87 17.034 -10.599 7.495 1.00 0.00 H new ATOM 0 HA PHE A 87 14.688 -10.035 5.834 1.00 0.00 H new ATOM 0 HB2 PHE A 87 13.581 -8.856 7.710 1.00 0.00 H new ATOM 0 HB3 PHE A 87 13.667 -10.591 7.944 1.00 0.00 H new ATOM 0 HD1 PHE A 87 15.320 -11.541 9.572 1.00 0.00 H new ATOM 0 HD2 PHE A 87 14.659 -7.344 9.235 1.00 0.00 H new ATOM 0 HE1 PHE A 87 16.376 -11.201 11.763 1.00 0.00 H new ATOM 0 HE2 PHE A 87 15.717 -7.004 11.427 1.00 0.00 H new ATOM 0 HZ PHE A 87 16.579 -8.931 12.692 1.00 0.00 H new ATOM 1312 N HIS A 88 15.410 -7.766 5.526 1.00 0.00 N ATOM 1313 CA HIS A 88 15.916 -6.482 5.118 1.00 0.00 C ATOM 1314 C HIS A 88 14.760 -5.512 4.977 1.00 0.00 C ATOM 1315 O HIS A 88 13.925 -5.670 4.088 1.00 0.00 O ATOM 1316 CB HIS A 88 16.636 -6.620 3.783 1.00 0.00 C ATOM 1317 CG HIS A 88 18.009 -7.201 3.878 1.00 0.00 C ATOM 1318 ND1 HIS A 88 18.375 -8.363 3.241 1.00 0.00 N ATOM 1319 CD2 HIS A 88 19.117 -6.757 4.511 1.00 0.00 C ATOM 1320 CE1 HIS A 88 19.647 -8.610 3.478 1.00 0.00 C ATOM 1321 NE2 HIS A 88 20.121 -7.651 4.246 1.00 0.00 N ATOM 0 H HIS A 88 14.594 -8.072 4.997 1.00 0.00 H new ATOM 0 HA HIS A 88 16.615 -6.108 5.866 1.00 0.00 H new ATOM 0 HB2 HIS A 88 16.035 -7.246 3.123 1.00 0.00 H new ATOM 0 HB3 HIS A 88 16.702 -5.637 3.317 1.00 0.00 H new ATOM 0 HD2 HIS A 88 19.196 -5.864 5.113 1.00 0.00 H new ATOM 0 HE1 HIS A 88 20.206 -9.456 3.106 1.00 0.00 H new ATOM 0 HE2 HIS A 88 21.080 -7.585 4.588 1.00 0.00 H new ATOM 1330 N ASP A 89 14.690 -4.531 5.860 1.00 0.00 N ATOM 1331 CA ASP A 89 13.608 -3.559 5.811 1.00 0.00 C ATOM 1332 C ASP A 89 13.668 -2.739 4.529 1.00 0.00 C ATOM 1333 O ASP A 89 14.623 -2.002 4.282 1.00 0.00 O ATOM 1334 CB ASP A 89 13.619 -2.639 7.042 1.00 0.00 C ATOM 1335 CG ASP A 89 14.879 -1.806 7.176 1.00 0.00 C ATOM 1336 OD1 ASP A 89 15.926 -2.364 7.575 1.00 0.00 O ATOM 1337 OD2 ASP A 89 14.826 -0.588 6.898 1.00 0.00 O ATOM 0 H ASP A 89 15.362 -4.386 6.613 1.00 0.00 H new ATOM 0 HA ASP A 89 12.671 -4.116 5.819 1.00 0.00 H new ATOM 0 HB2 ASP A 89 12.758 -1.972 6.993 1.00 0.00 H new ATOM 0 HB3 ASP A 89 13.500 -3.247 7.939 1.00 0.00 H new ATOM 1342 N ARG A 90 12.655 -2.898 3.696 1.00 0.00 N ATOM 1343 CA ARG A 90 12.577 -2.157 2.454 1.00 0.00 C ATOM 1344 C ARG A 90 11.391 -1.215 2.513 1.00 0.00 C ATOM 1345 O ARG A 90 10.633 -1.232 3.481 1.00 0.00 O ATOM 1346 CB ARG A 90 12.437 -3.105 1.263 1.00 0.00 C ATOM 1347 CG ARG A 90 13.602 -4.061 1.105 1.00 0.00 C ATOM 1348 CD ARG A 90 14.914 -3.320 0.928 1.00 0.00 C ATOM 1349 NE ARG A 90 16.026 -4.241 0.724 1.00 0.00 N ATOM 1350 CZ ARG A 90 17.300 -3.952 0.979 1.00 0.00 C ATOM 1351 NH1 ARG A 90 17.646 -2.749 1.430 1.00 0.00 N ATOM 1352 NH2 ARG A 90 18.233 -4.871 0.780 1.00 0.00 N ATOM 0 H ARG A 90 11.875 -3.535 3.859 1.00 0.00 H new ATOM 0 HA ARG A 90 13.496 -1.585 2.323 1.00 0.00 H new ATOM 0 HB2 ARG A 90 11.518 -3.681 1.375 1.00 0.00 H new ATOM 0 HB3 ARG A 90 12.335 -2.516 0.351 1.00 0.00 H new ATOM 0 HG2 ARG A 90 13.664 -4.707 1.980 1.00 0.00 H new ATOM 0 HG3 ARG A 90 13.429 -4.706 0.244 1.00 0.00 H new ATOM 0 HD2 ARG A 90 14.839 -2.644 0.076 1.00 0.00 H new ATOM 0 HD3 ARG A 90 15.107 -2.705 1.807 1.00 0.00 H new ATOM 0 HE ARG A 90 15.813 -5.170 0.361 1.00 0.00 H new ATOM 0 HH11 ARG A 90 16.932 -2.037 1.584 1.00 0.00 H new ATOM 0 HH12 ARG A 90 18.625 -2.539 1.622 1.00 0.00 H new ATOM 0 HH21 ARG A 90 17.974 -5.794 0.433 1.00 0.00 H new ATOM 0 HH22 ARG A 90 19.211 -4.655 0.974 1.00 0.00 H new ATOM 1366 N ASP A 91 11.219 -0.416 1.480 1.00 0.00 N ATOM 1367 CA ASP A 91 10.135 0.542 1.433 1.00 0.00 C ATOM 1368 C ASP A 91 9.649 0.687 0.011 1.00 0.00 C ATOM 1369 O ASP A 91 10.438 0.646 -0.933 1.00 0.00 O ATOM 1370 CB ASP A 91 10.577 1.896 1.990 1.00 0.00 C ATOM 1371 CG ASP A 91 11.776 2.485 1.266 1.00 0.00 C ATOM 1372 OD1 ASP A 91 12.896 1.949 1.413 1.00 0.00 O ATOM 1373 OD2 ASP A 91 11.615 3.507 0.574 1.00 0.00 O ATOM 0 H ASP A 91 11.821 -0.412 0.657 1.00 0.00 H new ATOM 0 HA ASP A 91 9.318 0.177 2.055 1.00 0.00 H new ATOM 0 HB2 ASP A 91 9.744 2.596 1.926 1.00 0.00 H new ATOM 0 HB3 ASP A 91 10.819 1.784 3.047 1.00 0.00 H new ATOM 1378 N VAL A 92 8.353 0.837 -0.138 1.00 0.00 N ATOM 1379 CA VAL A 92 7.761 0.960 -1.449 1.00 0.00 C ATOM 1380 C VAL A 92 6.800 2.135 -1.506 1.00 0.00 C ATOM 1381 O VAL A 92 6.105 2.443 -0.534 1.00 0.00 O ATOM 1382 CB VAL A 92 7.039 -0.342 -1.852 1.00 0.00 C ATOM 1383 CG1 VAL A 92 5.862 -0.638 -0.931 1.00 0.00 C ATOM 1384 CG2 VAL A 92 6.607 -0.290 -3.302 1.00 0.00 C ATOM 0 H VAL A 92 7.688 0.877 0.634 1.00 0.00 H new ATOM 0 HA VAL A 92 8.567 1.142 -2.160 1.00 0.00 H new ATOM 0 HB VAL A 92 7.747 -1.163 -1.742 1.00 0.00 H new ATOM 0 HG11 VAL A 92 5.378 -1.562 -1.245 1.00 0.00 H new ATOM 0 HG12 VAL A 92 6.219 -0.746 0.093 1.00 0.00 H new ATOM 0 HG13 VAL A 92 5.146 0.182 -0.981 1.00 0.00 H new ATOM 0 HG21 VAL A 92 6.100 -1.219 -3.564 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.927 0.549 -3.449 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.483 -0.163 -3.938 1.00 0.00 H new ATOM 1394 N ASN A 93 6.778 2.784 -2.651 1.00 0.00 N ATOM 1395 CA ASN A 93 5.921 3.938 -2.868 1.00 0.00 C ATOM 1396 C ASN A 93 4.510 3.501 -3.208 1.00 0.00 C ATOM 1397 O ASN A 93 4.263 2.961 -4.284 1.00 0.00 O ATOM 1398 CB ASN A 93 6.478 4.815 -3.992 1.00 0.00 C ATOM 1399 CG ASN A 93 7.490 5.827 -3.496 1.00 0.00 C ATOM 1400 OD1 ASN A 93 7.416 6.289 -2.360 1.00 0.00 O ATOM 1401 ND2 ASN A 93 8.433 6.187 -4.349 1.00 0.00 N ATOM 0 H ASN A 93 7.350 2.531 -3.457 1.00 0.00 H new ATOM 0 HA ASN A 93 5.895 4.518 -1.946 1.00 0.00 H new ATOM 0 HB2 ASN A 93 6.944 4.180 -4.746 1.00 0.00 H new ATOM 0 HB3 ASN A 93 5.656 5.338 -4.480 1.00 0.00 H new ATOM 0 HD21 ASN A 93 9.135 6.873 -4.073 1.00 0.00 H new ATOM 0 HD22 ASN A 93 8.458 5.779 -5.283 1.00 0.00 H new ATOM 1408 N LEU A 94 3.578 3.759 -2.300 1.00 0.00 N ATOM 1409 CA LEU A 94 2.188 3.383 -2.508 1.00 0.00 C ATOM 1410 C LEU A 94 1.478 4.409 -3.384 1.00 0.00 C ATOM 1411 O LEU A 94 0.278 4.306 -3.628 1.00 0.00 O ATOM 1412 CB LEU A 94 1.444 3.220 -1.173 1.00 0.00 C ATOM 1413 CG LEU A 94 1.954 2.111 -0.243 1.00 0.00 C ATOM 1414 CD1 LEU A 94 0.806 1.537 0.570 1.00 0.00 C ATOM 1415 CD2 LEU A 94 2.649 1.003 -1.019 1.00 0.00 C ATOM 0 H LEU A 94 3.761 4.227 -1.412 1.00 0.00 H new ATOM 0 HA LEU A 94 2.181 2.420 -3.018 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.493 4.167 -0.636 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.392 3.030 -1.388 1.00 0.00 H new ATOM 0 HG LEU A 94 2.686 2.556 0.431 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.182 0.751 1.226 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.355 2.327 1.171 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.056 1.121 -0.103 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.996 0.236 -0.326 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.949 0.561 -1.728 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.501 1.416 -1.559 1.00 0.00 H new ATOM 1427 N ASN A 95 2.232 5.399 -3.863 1.00 0.00 N ATOM 1428 CA ASN A 95 1.681 6.436 -4.742 1.00 0.00 C ATOM 1429 C ASN A 95 1.202 5.809 -6.038 1.00 0.00 C ATOM 1430 O ASN A 95 0.433 6.408 -6.787 1.00 0.00 O ATOM 1431 CB ASN A 95 2.717 7.515 -5.070 1.00 0.00 C ATOM 1432 CG ASN A 95 3.374 8.095 -3.841 1.00 0.00 C ATOM 1433 OD1 ASN A 95 2.858 9.019 -3.221 1.00 0.00 O ATOM 1434 ND2 ASN A 95 4.543 7.575 -3.509 1.00 0.00 N ATOM 0 H ASN A 95 3.225 5.506 -3.658 1.00 0.00 H new ATOM 0 HA ASN A 95 0.851 6.904 -4.213 1.00 0.00 H new ATOM 0 HB2 ASN A 95 3.483 7.090 -5.718 1.00 0.00 H new ATOM 0 HB3 ASN A 95 2.234 8.316 -5.630 1.00 0.00 H new ATOM 0 HD21 ASN A 95 5.055 7.942 -2.707 1.00 0.00 H new ATOM 0 HD22 ASN A 95 4.933 6.807 -4.055 1.00 0.00 H new ATOM 1441 N ARG A 96 1.682 4.598 -6.302 1.00 0.00 N ATOM 1442 CA ARG A 96 1.295 3.855 -7.491 1.00 0.00 C ATOM 1443 C ARG A 96 -0.205 3.582 -7.464 1.00 0.00 C ATOM 1444 O ARG A 96 -0.850 3.453 -8.495 1.00 0.00 O ATOM 1445 CB ARG A 96 2.053 2.526 -7.556 1.00 0.00 C ATOM 1446 CG ARG A 96 3.461 2.613 -8.132 1.00 0.00 C ATOM 1447 CD ARG A 96 4.331 3.645 -7.427 1.00 0.00 C ATOM 1448 NE ARG A 96 4.276 4.949 -8.080 1.00 0.00 N ATOM 1449 CZ ARG A 96 5.319 5.531 -8.667 1.00 0.00 C ATOM 1450 NH1 ARG A 96 6.485 4.899 -8.739 1.00 0.00 N ATOM 1451 NH2 ARG A 96 5.194 6.737 -9.200 1.00 0.00 N ATOM 0 H ARG A 96 2.345 4.109 -5.701 1.00 0.00 H new ATOM 0 HA ARG A 96 1.542 4.450 -8.370 1.00 0.00 H new ATOM 0 HB2 ARG A 96 2.114 2.110 -6.550 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.474 1.824 -8.156 1.00 0.00 H new ATOM 0 HG2 ARG A 96 3.937 1.635 -8.061 1.00 0.00 H new ATOM 0 HG3 ARG A 96 3.399 2.861 -9.192 1.00 0.00 H new ATOM 0 HD2 ARG A 96 4.006 3.745 -6.391 1.00 0.00 H new ATOM 0 HD3 ARG A 96 5.363 3.294 -7.405 1.00 0.00 H new ATOM 0 HE ARG A 96 3.384 5.444 -8.087 1.00 0.00 H new ATOM 0 HH11 ARG A 96 6.584 3.964 -8.344 1.00 0.00 H new ATOM 0 HH12 ARG A 96 7.282 5.349 -9.190 1.00 0.00 H new ATOM 0 HH21 ARG A 96 4.297 7.221 -9.161 1.00 0.00 H new ATOM 0 HH22 ARG A 96 5.995 7.181 -9.649 1.00 0.00 H new ATOM 1465 N ILE A 97 -0.745 3.500 -6.259 1.00 0.00 N ATOM 1466 CA ILE A 97 -2.155 3.235 -6.061 1.00 0.00 C ATOM 1467 C ILE A 97 -2.990 4.489 -6.300 1.00 0.00 C ATOM 1468 O ILE A 97 -2.770 5.537 -5.683 1.00 0.00 O ATOM 1469 CB ILE A 97 -2.393 2.697 -4.642 1.00 0.00 C ATOM 1470 CG1 ILE A 97 -1.515 1.466 -4.415 1.00 0.00 C ATOM 1471 CG2 ILE A 97 -3.862 2.351 -4.438 1.00 0.00 C ATOM 1472 CD1 ILE A 97 -1.093 1.280 -2.981 1.00 0.00 C ATOM 0 H ILE A 97 -0.217 3.615 -5.394 1.00 0.00 H new ATOM 0 HA ILE A 97 -2.467 2.483 -6.785 1.00 0.00 H new ATOM 0 HB ILE A 97 -2.127 3.467 -3.918 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -2.057 0.579 -4.743 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -0.625 1.545 -5.039 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -4.009 1.972 -3.427 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -4.470 3.244 -4.583 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -4.160 1.589 -5.158 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -0.473 0.387 -2.897 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -0.523 2.150 -2.654 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -1.977 1.168 -2.353 1.00 0.00 H new ATOM 1484 N GLN A 98 -3.950 4.368 -7.196 1.00 0.00 N ATOM 1485 CA GLN A 98 -4.824 5.470 -7.546 1.00 0.00 C ATOM 1486 C GLN A 98 -6.249 5.137 -7.126 1.00 0.00 C ATOM 1487 O GLN A 98 -6.568 3.980 -6.853 1.00 0.00 O ATOM 1488 CB GLN A 98 -4.742 5.736 -9.052 1.00 0.00 C ATOM 1489 CG GLN A 98 -5.409 7.027 -9.504 1.00 0.00 C ATOM 1490 CD GLN A 98 -5.164 7.321 -10.970 1.00 0.00 C ATOM 1491 OE1 GLN A 98 -5.925 6.899 -11.840 1.00 0.00 O ATOM 1492 NE2 GLN A 98 -4.101 8.056 -11.255 1.00 0.00 N ATOM 0 H GLN A 98 -4.146 3.504 -7.701 1.00 0.00 H new ATOM 0 HA GLN A 98 -4.510 6.374 -7.023 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -3.693 5.762 -9.347 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -5.201 4.901 -9.581 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -6.482 6.961 -9.324 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -5.035 7.856 -8.903 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -3.494 8.387 -10.505 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -3.889 8.291 -12.225 1.00 0.00 H new ATOM 1501 N ASN A 99 -7.090 6.153 -7.061 1.00 0.00 N ATOM 1502 CA ASN A 99 -8.476 5.974 -6.665 1.00 0.00 C ATOM 1503 C ASN A 99 -9.410 6.233 -7.835 1.00 0.00 C ATOM 1504 O ASN A 99 -9.423 7.326 -8.405 1.00 0.00 O ATOM 1505 CB ASN A 99 -8.820 6.907 -5.505 1.00 0.00 C ATOM 1506 CG ASN A 99 -10.313 7.007 -5.261 1.00 0.00 C ATOM 1507 OD1 ASN A 99 -10.897 6.168 -4.585 1.00 0.00 O ATOM 1508 ND2 ASN A 99 -10.937 8.043 -5.804 1.00 0.00 N ATOM 0 H ASN A 99 -6.836 7.117 -7.279 1.00 0.00 H new ATOM 0 HA ASN A 99 -8.607 4.941 -6.341 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -8.331 6.550 -4.599 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -8.422 7.900 -5.712 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -11.940 8.164 -5.666 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -10.414 8.719 -6.360 1.00 0.00 H new ATOM 1515 N VAL A 100 -10.179 5.221 -8.195 1.00 0.00 N ATOM 1516 CA VAL A 100 -11.125 5.332 -9.293 1.00 0.00 C ATOM 1517 C VAL A 100 -12.556 5.236 -8.783 1.00 0.00 C ATOM 1518 O VAL A 100 -13.079 4.140 -8.579 1.00 0.00 O ATOM 1519 CB VAL A 100 -10.890 4.248 -10.363 1.00 0.00 C ATOM 1520 CG1 VAL A 100 -11.829 4.445 -11.543 1.00 0.00 C ATOM 1521 CG2 VAL A 100 -9.441 4.252 -10.821 1.00 0.00 C ATOM 0 H VAL A 100 -10.167 4.308 -7.741 1.00 0.00 H new ATOM 0 HA VAL A 100 -10.967 6.308 -9.752 1.00 0.00 H new ATOM 0 HB VAL A 100 -11.104 3.276 -9.918 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -11.646 3.669 -12.287 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -12.862 4.383 -11.200 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -11.653 5.424 -11.989 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -9.296 3.480 -11.576 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -9.196 5.225 -11.246 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -8.790 4.054 -9.970 1.00 0.00 H new ATOM 1531 N ASN A 101 -13.162 6.391 -8.544 1.00 0.00 N ATOM 1532 CA ASN A 101 -14.541 6.476 -8.065 1.00 0.00 C ATOM 1533 C ASN A 101 -14.709 5.786 -6.710 1.00 0.00 C ATOM 1534 O ASN A 101 -15.793 5.326 -6.359 1.00 0.00 O ATOM 1535 CB ASN A 101 -15.508 5.878 -9.091 1.00 0.00 C ATOM 1536 CG ASN A 101 -16.949 6.277 -8.835 1.00 0.00 C ATOM 1537 OD1 ASN A 101 -17.219 7.350 -8.294 1.00 0.00 O ATOM 1538 ND2 ASN A 101 -17.881 5.419 -9.223 1.00 0.00 N ATOM 0 H ASN A 101 -12.714 7.298 -8.676 1.00 0.00 H new ATOM 0 HA ASN A 101 -14.778 7.532 -7.934 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -15.217 6.201 -10.091 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -15.427 4.791 -9.071 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -18.867 5.636 -9.077 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -17.613 4.541 -9.668 1.00 0.00 H new ATOM 1545 N GLY A 102 -13.630 5.701 -5.953 1.00 0.00 N ATOM 1546 CA GLY A 102 -13.707 5.093 -4.639 1.00 0.00 C ATOM 1547 C GLY A 102 -13.106 3.705 -4.583 1.00 0.00 C ATOM 1548 O GLY A 102 -13.465 2.901 -3.722 1.00 0.00 O ATOM 0 H GLY A 102 -12.705 6.039 -6.220 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -13.194 5.732 -3.920 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -14.751 5.041 -4.331 1.00 0.00 H new ATOM 1552 N ARG A 103 -12.204 3.405 -5.502 1.00 0.00 N ATOM 1553 CA ARG A 103 -11.558 2.103 -5.516 1.00 0.00 C ATOM 1554 C ARG A 103 -10.045 2.262 -5.616 1.00 0.00 C ATOM 1555 O ARG A 103 -9.548 3.105 -6.365 1.00 0.00 O ATOM 1556 CB ARG A 103 -12.093 1.242 -6.665 1.00 0.00 C ATOM 1557 CG ARG A 103 -11.569 1.623 -8.041 1.00 0.00 C ATOM 1558 CD ARG A 103 -12.196 0.768 -9.127 1.00 0.00 C ATOM 1559 NE ARG A 103 -13.653 0.895 -9.143 1.00 0.00 N ATOM 1560 CZ ARG A 103 -14.464 0.100 -9.838 1.00 0.00 C ATOM 1561 NH1 ARG A 103 -13.963 -0.870 -10.595 1.00 0.00 N ATOM 1562 NH2 ARG A 103 -15.775 0.278 -9.776 1.00 0.00 N ATOM 0 H ARG A 103 -11.904 4.039 -6.243 1.00 0.00 H new ATOM 0 HA ARG A 103 -11.789 1.594 -4.580 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -11.838 0.200 -6.470 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -13.181 1.308 -6.674 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -11.782 2.674 -8.235 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -10.485 1.507 -8.065 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -11.795 1.061 -10.097 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -11.924 -0.276 -8.971 1.00 0.00 H new ATOM 0 HE ARG A 103 -14.074 1.639 -8.587 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -12.954 -1.008 -10.645 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -14.588 -1.477 -11.126 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -16.162 1.023 -9.197 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -16.398 -0.330 -10.308 1.00 0.00 H new ATOM 1576 N LEU A 104 -9.329 1.465 -4.839 1.00 0.00 N ATOM 1577 CA LEU A 104 -7.875 1.490 -4.826 1.00 0.00 C ATOM 1578 C LEU A 104 -7.313 0.511 -5.848 1.00 0.00 C ATOM 1579 O LEU A 104 -7.707 -0.655 -5.884 1.00 0.00 O ATOM 1580 CB LEU A 104 -7.359 1.144 -3.424 1.00 0.00 C ATOM 1581 CG LEU A 104 -6.882 2.333 -2.582 1.00 0.00 C ATOM 1582 CD1 LEU A 104 -7.861 3.494 -2.673 1.00 0.00 C ATOM 1583 CD2 LEU A 104 -6.690 1.909 -1.131 1.00 0.00 C ATOM 0 H LEU A 104 -9.739 0.783 -4.200 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.542 2.493 -5.091 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.153 0.632 -2.880 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.534 0.438 -3.524 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.924 2.669 -2.979 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.498 4.324 -2.067 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -7.950 3.815 -3.711 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -8.837 3.176 -2.307 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.351 2.763 -0.544 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -7.636 1.546 -0.730 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.945 1.115 -1.080 1.00 0.00 H new ATOM 1595 N VAL A 105 -6.413 0.999 -6.686 1.00 0.00 N ATOM 1596 CA VAL A 105 -5.787 0.174 -7.704 1.00 0.00 C ATOM 1597 C VAL A 105 -4.315 0.553 -7.872 1.00 0.00 C ATOM 1598 O VAL A 105 -3.974 1.732 -7.957 1.00 0.00 O ATOM 1599 CB VAL A 105 -6.530 0.295 -9.059 1.00 0.00 C ATOM 1600 CG1 VAL A 105 -6.577 1.740 -9.542 1.00 0.00 C ATOM 1601 CG2 VAL A 105 -5.888 -0.603 -10.108 1.00 0.00 C ATOM 0 H VAL A 105 -6.099 1.969 -6.680 1.00 0.00 H new ATOM 0 HA VAL A 105 -5.848 -0.864 -7.376 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.557 -0.036 -8.904 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -7.105 1.788 -10.494 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -7.098 2.353 -8.807 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -5.561 2.114 -9.671 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -6.425 -0.502 -11.051 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -4.848 -0.310 -10.250 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -5.931 -1.640 -9.775 1.00 0.00 H new ATOM 1611 N PHE A 106 -3.451 -0.454 -7.884 1.00 0.00 N ATOM 1612 CA PHE A 106 -2.017 -0.237 -8.042 1.00 0.00 C ATOM 1613 C PHE A 106 -1.685 0.007 -9.515 1.00 0.00 C ATOM 1614 O PHE A 106 -2.325 -0.561 -10.406 1.00 0.00 O ATOM 1615 CB PHE A 106 -1.229 -1.441 -7.497 1.00 0.00 C ATOM 1616 CG PHE A 106 -1.236 -2.647 -8.403 1.00 0.00 C ATOM 1617 CD1 PHE A 106 -2.404 -3.359 -8.633 1.00 0.00 C ATOM 1618 CD2 PHE A 106 -0.072 -3.058 -9.033 1.00 0.00 C ATOM 1619 CE1 PHE A 106 -2.408 -4.458 -9.472 1.00 0.00 C ATOM 1620 CE2 PHE A 106 -0.071 -4.156 -9.872 1.00 0.00 C ATOM 1621 CZ PHE A 106 -1.239 -4.856 -10.092 1.00 0.00 C ATOM 0 H PHE A 106 -3.719 -1.433 -7.786 1.00 0.00 H new ATOM 0 HA PHE A 106 -1.727 0.645 -7.470 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -0.197 -1.137 -7.324 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -1.644 -1.725 -6.530 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -3.320 -3.052 -8.151 1.00 0.00 H new ATOM 0 HD2 PHE A 106 0.846 -2.513 -8.866 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -3.324 -5.005 -9.643 1.00 0.00 H new ATOM 0 HE2 PHE A 106 0.844 -4.466 -10.355 1.00 0.00 H new ATOM 0 HZ PHE A 106 -1.240 -5.714 -10.748 1.00 0.00 H new ATOM 1631 N GLN A 107 -0.706 0.860 -9.770 1.00 0.00 N ATOM 1632 CA GLN A 107 -0.314 1.187 -11.135 1.00 0.00 C ATOM 1633 C GLN A 107 1.088 0.669 -11.421 1.00 0.00 C ATOM 1634 O GLN A 107 1.205 -0.381 -12.089 1.00 0.00 O ATOM 1635 CB GLN A 107 -0.379 2.700 -11.359 1.00 0.00 C ATOM 1636 CG GLN A 107 -0.225 3.118 -12.812 1.00 0.00 C ATOM 1637 CD GLN A 107 -0.269 4.626 -12.999 1.00 0.00 C ATOM 1638 OE1 GLN A 107 -0.977 5.319 -12.118 1.00 0.00 O flip ATOM 1639 NE2 GLN A 107 0.335 5.167 -13.928 1.00 0.00 N flip ATOM 1640 OXT GLN A 107 2.062 1.306 -10.969 1.00 0.00 O ATOM 0 H GLN A 107 -0.166 1.340 -9.050 1.00 0.00 H new ATOM 0 HA GLN A 107 -1.009 0.704 -11.822 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -1.333 3.072 -10.984 1.00 0.00 H new ATOM 0 HB3 GLN A 107 0.403 3.178 -10.769 1.00 0.00 H new ATOM 0 HG2 GLN A 107 0.721 2.736 -13.197 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -1.018 2.660 -13.403 1.00 0.00 H new ATOM 0 HE21 GLN A 107 0.870 4.601 -14.587 1.00 0.00 H new ATOM 0 HE22 GLN A 107 0.300 6.180 -14.038 1.00 0.00 H new