USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 735 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: C 103 GLN : amide:sc= -0.726! C(o=0.54!,f=-9.6!) USER MOD Set 1.2: C 110 LYS NZ :NH3+ -168:sc= 1.27 (180deg=0) USER MOD Set 2.1: B 68 GLN :FLIP amide:sc= -0.0685 F(o=-1.1!,f=1.1) USER MOD Set 2.2: B 71 LYS NZ :NH3+ -169:sc= 1.17 (180deg=0.937) USER MOD Set 3.1: B 63 GLN : amide:sc= -0.702! C(o=0.57!,f=-9.4!) USER MOD Set 3.2: B 70 LYS NZ :NH3+ -177:sc= 1.27 (180deg=0) USER MOD Set 4.1: A 28 GLN :FLIP amide:sc= -0.0237 F(o=-0.83!,f=1.2) USER MOD Set 4.2: A 31 LYS NZ :NH3+ 180:sc= 1.18 (180deg=1.18) USER MOD Set 5.1: A 23 GLN : amide:sc= -0.706! C(o=0.51!,f=-8.7!) USER MOD Set 5.2: A 30 LYS NZ :NH3+ -160:sc= 1.22 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -1.02 X(o=-1,f=-0.94) USER MOD Single : A 11 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 16 GLN : amide:sc=-0.000481 X(o=-0.00048,f=0) USER MOD Single : A 18 GLN : amide:sc= -0.833 K(o=-0.83,f=-5.6!) USER MOD Single : A 20 GLN :FLIP amide:sc= -2.28! C(o=-3!,f=-2.3!) USER MOD Single : A 21 HIS : no HD1:sc= -3.33! C(o=-3.3!,f=-7.2!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot -41:sc= 1.27 USER MOD Single : B 47 SER OG : rot 180:sc= 0 USER MOD Single : B 50 GLN : amide:sc= -0.894 X(o=-0.89,f=-0.84) USER MOD Single : B 51 GLN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : B 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 58 GLN : amide:sc= -0.925 K(o=-0.92,f=-5.5!) USER MOD Single : B 60 GLN :FLIP amide:sc= -2.56! C(o=-3.1!,f=-2.6!) USER MOD Single : B 61 HIS : no HD1:sc= -3.22! C(o=-3.2!,f=-7.2!) USER MOD Single : B 67 SER OG : rot 180:sc= 0 USER MOD Single : B 69 TYR OH : rot -44:sc= 1.2 USER MOD Single : C 87 SER OG : rot 180:sc= 0 USER MOD Single : C 90 GLN : amide:sc= -1.02 X(o=-1,f=-0.92) USER MOD Single : C 91 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : C 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 98 GLN : amide:sc= -0.84 K(o=-0.84,f=-5.4!) USER MOD Single : C 100 GLN : amide:sc= -3.21! C(o=-3.2!,f=-2.7!) USER MOD Single : C 101 HIS : no HD1:sc= -3.38! C(o=-3.4!,f=-7.6!) USER MOD Single : C 107 SER OG : rot 180:sc= 0 USER MOD Single : C 108 GLN :FLIP amide:sc= -0.0522 F(o=-1.9!,f=-0.052) USER MOD Single : C 109 TYR OH : rot -44:sc= 1.09 USER MOD Single : C 111 LYS NZ :NH3+ -174:sc= 1.18 (180deg=1.04) USER MOD ----------------------------------------------------------------- ATOM 55 N VAL A 5 -3.365 -22.696 6.122 1.00 0.00 N ATOM 56 CA VAL A 5 -3.863 -22.014 4.935 1.00 0.00 C ATOM 57 C VAL A 5 -5.090 -21.169 5.285 1.00 0.00 C ATOM 58 O VAL A 5 -5.264 -20.068 4.763 1.00 0.00 O ATOM 59 CB VAL A 5 -4.221 -23.023 3.820 1.00 0.00 C ATOM 60 CG1 VAL A 5 -4.765 -22.320 2.588 1.00 0.00 C ATOM 61 CG2 VAL A 5 -3.007 -23.855 3.452 1.00 0.00 C ATOM 0 HA VAL A 5 -3.071 -21.363 4.566 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.001 -23.680 4.205 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.006 -23.059 1.824 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -5.665 -21.765 2.853 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -4.015 -21.630 2.201 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -3.274 -24.561 2.666 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.211 -23.200 3.097 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.662 -24.402 4.329 1.00 0.00 H new ATOM 71 N ALA A 6 -5.927 -21.663 6.193 1.00 0.00 N ATOM 72 CA ALA A 6 -7.102 -20.907 6.609 1.00 0.00 C ATOM 73 C ALA A 6 -6.670 -19.717 7.455 1.00 0.00 C ATOM 74 O ALA A 6 -7.252 -18.639 7.379 1.00 0.00 O ATOM 75 CB ALA A 6 -8.086 -21.787 7.359 1.00 0.00 C ATOM 0 H ALA A 6 -5.816 -22.569 6.648 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.615 -20.539 5.721 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.951 -21.194 7.656 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.410 -22.603 6.713 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -7.605 -22.196 8.247 1.00 0.00 H new ATOM 81 N SER A 7 -5.596 -19.908 8.216 1.00 0.00 N ATOM 82 CA SER A 7 -5.029 -18.839 9.030 1.00 0.00 C ATOM 83 C SER A 7 -4.405 -17.805 8.096 1.00 0.00 C ATOM 84 O SER A 7 -4.194 -16.636 8.446 1.00 0.00 O ATOM 85 CB SER A 7 -3.965 -19.401 9.973 1.00 0.00 C ATOM 86 OG SER A 7 -4.502 -20.406 10.821 1.00 0.00 O ATOM 0 H SER A 7 -5.100 -20.797 8.285 1.00 0.00 H new ATOM 0 HA SER A 7 -5.810 -18.377 9.634 1.00 0.00 H new ATOM 0 HB2 SER A 7 -3.143 -19.816 9.390 1.00 0.00 H new ATOM 0 HB3 SER A 7 -3.551 -18.595 10.579 1.00 0.00 H new ATOM 0 HG SER A 7 -3.798 -20.747 11.411 1.00 0.00 H new ATOM 92 N LEU A 8 -4.130 -18.259 6.888 1.00 0.00 N ATOM 93 CA LEU A 8 -3.553 -17.420 5.869 1.00 0.00 C ATOM 94 C LEU A 8 -4.609 -16.494 5.287 1.00 0.00 C ATOM 95 O LEU A 8 -4.301 -15.392 4.857 1.00 0.00 O ATOM 96 CB LEU A 8 -2.944 -18.288 4.767 1.00 0.00 C ATOM 97 CG LEU A 8 -2.172 -17.536 3.694 1.00 0.00 C ATOM 98 CD1 LEU A 8 -0.870 -17.002 4.267 1.00 0.00 C ATOM 99 CD2 LEU A 8 -1.890 -18.440 2.508 1.00 0.00 C ATOM 0 H LEU A 8 -4.302 -19.220 6.591 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.767 -16.810 6.315 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.276 -19.015 5.229 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.745 -18.851 4.287 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.779 -16.698 3.352 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.324 -16.465 3.491 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.087 -16.325 5.093 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.264 -17.833 4.628 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.337 -17.885 1.751 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.299 -19.295 2.835 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.832 -18.790 2.086 1.00 0.00 H new ATOM 111 N ARG A 9 -5.860 -16.953 5.289 1.00 0.00 N ATOM 112 CA ARG A 9 -6.982 -16.165 4.770 1.00 0.00 C ATOM 113 C ARG A 9 -7.208 -14.942 5.646 1.00 0.00 C ATOM 114 O ARG A 9 -7.490 -13.854 5.154 1.00 0.00 O ATOM 115 CB ARG A 9 -8.283 -16.983 4.750 1.00 0.00 C ATOM 116 CG ARG A 9 -8.116 -18.446 4.369 1.00 0.00 C ATOM 117 CD ARG A 9 -7.547 -18.609 2.976 1.00 0.00 C ATOM 118 NE ARG A 9 -8.259 -17.792 1.989 1.00 0.00 N ATOM 119 CZ ARG A 9 -9.499 -18.041 1.566 1.00 0.00 C ATOM 120 NH1 ARG A 9 -10.139 -19.129 1.983 1.00 0.00 N ATOM 121 NH2 ARG A 9 -10.091 -17.205 0.724 1.00 0.00 N ATOM 0 H ARG A 9 -6.125 -17.871 5.646 1.00 0.00 H new ATOM 0 HA ARG A 9 -6.727 -15.870 3.752 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.743 -16.930 5.737 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -8.977 -16.518 4.050 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.459 -18.935 5.088 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -9.082 -18.948 4.427 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -6.493 -18.333 2.981 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -7.600 -19.658 2.684 1.00 0.00 H new ATOM 0 HE ARG A 9 -7.776 -16.982 1.601 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -9.682 -19.774 2.627 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -11.087 -19.318 1.659 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -9.598 -16.373 0.401 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -11.039 -17.394 0.400 1.00 0.00 H new ATOM 135 N GLN A 10 -7.084 -15.130 6.948 1.00 0.00 N ATOM 136 CA GLN A 10 -7.268 -14.041 7.896 1.00 0.00 C ATOM 137 C GLN A 10 -6.119 -13.045 7.781 1.00 0.00 C ATOM 138 O GLN A 10 -6.331 -11.829 7.808 1.00 0.00 O ATOM 139 CB GLN A 10 -7.372 -14.580 9.330 1.00 0.00 C ATOM 140 CG GLN A 10 -6.839 -15.991 9.499 1.00 0.00 C ATOM 141 CD GLN A 10 -6.678 -16.378 10.958 1.00 0.00 C ATOM 142 OE1 GLN A 10 -7.659 -16.527 11.683 1.00 0.00 O ATOM 143 NE2 GLN A 10 -5.441 -16.533 11.399 1.00 0.00 N ATOM 0 H GLN A 10 -6.856 -16.028 7.375 1.00 0.00 H new ATOM 0 HA GLN A 10 -8.200 -13.529 7.658 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -6.826 -13.914 9.998 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -8.416 -14.557 9.641 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -7.516 -16.693 9.012 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -5.876 -16.076 8.995 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -4.653 -16.400 10.765 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -5.275 -16.785 12.373 1.00 0.00 H new ATOM 152 N GLN A 11 -4.901 -13.567 7.645 1.00 0.00 N ATOM 153 CA GLN A 11 -3.713 -12.724 7.519 1.00 0.00 C ATOM 154 C GLN A 11 -3.726 -11.935 6.210 1.00 0.00 C ATOM 155 O GLN A 11 -3.250 -10.800 6.146 1.00 0.00 O ATOM 156 CB GLN A 11 -2.451 -13.589 7.586 1.00 0.00 C ATOM 157 CG GLN A 11 -1.152 -12.817 7.416 1.00 0.00 C ATOM 158 CD GLN A 11 0.074 -13.713 7.443 1.00 0.00 C ATOM 159 OE1 GLN A 11 -0.130 -14.999 7.688 1.00 0.00 O flip ATOM 160 NE2 GLN A 11 1.199 -13.251 7.243 1.00 0.00 N flip ATOM 0 H GLN A 11 -4.711 -14.569 7.619 1.00 0.00 H new ATOM 0 HA GLN A 11 -3.716 -12.013 8.345 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.430 -14.106 8.545 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -2.508 -14.355 6.813 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.179 -12.274 6.471 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.070 -12.073 8.209 1.00 0.00 H new ATOM 0 HE21 GLN A 11 1.316 -12.255 7.058 1.00 0.00 H new ATOM 0 HE22 GLN A 11 2.013 -13.865 7.263 1.00 0.00 H new ATOM 169 N VAL A 12 -4.256 -12.553 5.169 1.00 0.00 N ATOM 170 CA VAL A 12 -4.316 -11.941 3.855 1.00 0.00 C ATOM 171 C VAL A 12 -5.439 -10.905 3.794 1.00 0.00 C ATOM 172 O VAL A 12 -5.319 -9.888 3.109 1.00 0.00 O ATOM 173 CB VAL A 12 -4.461 -13.053 2.777 1.00 0.00 C ATOM 174 CG1 VAL A 12 -5.854 -13.643 2.720 1.00 0.00 C ATOM 175 CG2 VAL A 12 -4.031 -12.597 1.409 1.00 0.00 C ATOM 0 H VAL A 12 -4.656 -13.491 5.211 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.391 -11.401 3.652 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.781 -13.843 3.096 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.892 -14.413 1.949 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.102 -14.084 3.686 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.572 -12.858 2.484 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.154 -13.414 0.698 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.643 -11.750 1.099 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.984 -12.296 1.438 1.00 0.00 H new ATOM 185 N GLU A 13 -6.501 -11.140 4.562 1.00 0.00 N ATOM 186 CA GLU A 13 -7.617 -10.208 4.646 1.00 0.00 C ATOM 187 C GLU A 13 -7.142 -8.966 5.391 1.00 0.00 C ATOM 188 O GLU A 13 -7.589 -7.847 5.139 1.00 0.00 O ATOM 189 CB GLU A 13 -8.794 -10.869 5.371 1.00 0.00 C ATOM 190 CG GLU A 13 -10.044 -10.014 5.464 1.00 0.00 C ATOM 191 CD GLU A 13 -11.150 -10.712 6.211 1.00 0.00 C ATOM 192 OE1 GLU A 13 -11.630 -11.750 5.719 1.00 0.00 O ATOM 193 OE2 GLU A 13 -11.510 -10.245 7.306 1.00 0.00 O ATOM 0 H GLU A 13 -6.610 -11.975 5.138 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.958 -9.926 3.650 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.043 -11.798 4.858 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.478 -11.137 6.379 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.805 -9.075 5.964 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -10.387 -9.762 4.460 1.00 0.00 H new ATOM 200 N ALA A 14 -6.195 -9.195 6.298 1.00 0.00 N ATOM 201 CA ALA A 14 -5.592 -8.138 7.092 1.00 0.00 C ATOM 202 C ALA A 14 -4.803 -7.186 6.209 1.00 0.00 C ATOM 203 O ALA A 14 -5.047 -5.977 6.198 1.00 0.00 O ATOM 204 CB ALA A 14 -4.656 -8.756 8.107 1.00 0.00 C ATOM 0 H ALA A 14 -5.826 -10.124 6.500 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.384 -7.580 7.592 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.199 -7.969 8.707 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.216 -9.429 8.756 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.877 -9.316 7.590 1.00 0.00 H new ATOM 210 N LEU A 15 -3.856 -7.761 5.471 1.00 0.00 N ATOM 211 CA LEU A 15 -3.001 -7.006 4.565 1.00 0.00 C ATOM 212 C LEU A 15 -3.850 -6.272 3.536 1.00 0.00 C ATOM 213 O LEU A 15 -3.528 -5.158 3.124 1.00 0.00 O ATOM 214 CB LEU A 15 -2.026 -7.957 3.865 1.00 0.00 C ATOM 215 CG LEU A 15 -0.900 -7.289 3.075 1.00 0.00 C ATOM 216 CD1 LEU A 15 -0.004 -6.493 4.002 1.00 0.00 C ATOM 217 CD2 LEU A 15 -0.087 -8.331 2.323 1.00 0.00 C ATOM 0 H LEU A 15 -3.662 -8.762 5.486 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.433 -6.271 5.136 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.581 -8.609 4.616 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.593 -8.594 3.186 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.345 -6.607 2.351 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.792 -6.024 3.424 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.591 -5.723 4.503 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.432 -7.159 4.747 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.710 -7.838 1.766 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.348 -9.035 3.033 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.735 -8.868 1.630 1.00 0.00 H new ATOM 229 N GLN A 16 -4.949 -6.903 3.146 1.00 0.00 N ATOM 230 CA GLN A 16 -5.873 -6.318 2.183 1.00 0.00 C ATOM 231 C GLN A 16 -6.526 -5.070 2.755 1.00 0.00 C ATOM 232 O GLN A 16 -6.628 -4.054 2.076 1.00 0.00 O ATOM 233 CB GLN A 16 -6.939 -7.341 1.785 1.00 0.00 C ATOM 234 CG GLN A 16 -8.198 -6.723 1.202 1.00 0.00 C ATOM 235 CD GLN A 16 -9.098 -7.748 0.536 1.00 0.00 C ATOM 236 OE1 GLN A 16 -9.590 -8.670 1.184 1.00 0.00 O ATOM 237 NE2 GLN A 16 -9.307 -7.596 -0.760 1.00 0.00 N ATOM 0 H GLN A 16 -5.224 -7.825 3.484 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.310 -6.033 1.294 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.513 -8.030 1.056 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -7.208 -7.931 2.661 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -8.752 -6.220 1.995 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -7.920 -5.961 0.474 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -8.878 -6.816 -1.258 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.897 -8.259 -1.263 1.00 0.00 H new ATOM 246 N GLY A 17 -6.955 -5.153 4.007 1.00 0.00 N ATOM 247 CA GLY A 17 -7.578 -4.011 4.654 1.00 0.00 C ATOM 248 C GLY A 17 -6.629 -2.830 4.739 1.00 0.00 C ATOM 249 O GLY A 17 -7.043 -1.667 4.679 1.00 0.00 O ATOM 0 H GLY A 17 -6.884 -5.989 4.587 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.471 -3.721 4.101 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.901 -4.292 5.656 1.00 0.00 H new ATOM 253 N GLN A 18 -5.344 -3.130 4.856 1.00 0.00 N ATOM 254 CA GLN A 18 -4.330 -2.091 4.932 1.00 0.00 C ATOM 255 C GLN A 18 -4.152 -1.417 3.579 1.00 0.00 C ATOM 256 O GLN A 18 -4.056 -0.202 3.491 1.00 0.00 O ATOM 257 CB GLN A 18 -2.996 -2.669 5.399 1.00 0.00 C ATOM 258 CG GLN A 18 -3.090 -3.410 6.720 1.00 0.00 C ATOM 259 CD GLN A 18 -1.750 -3.935 7.185 1.00 0.00 C ATOM 260 OE1 GLN A 18 -1.150 -4.795 6.542 1.00 0.00 O ATOM 261 NE2 GLN A 18 -1.267 -3.420 8.304 1.00 0.00 N ATOM 0 H GLN A 18 -4.980 -4.082 4.900 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.664 -1.349 5.657 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -2.616 -3.348 4.636 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -2.272 -1.860 5.495 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.499 -2.743 7.479 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -3.787 -4.242 6.618 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -1.796 -2.708 8.808 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -0.366 -3.735 8.663 1.00 0.00 H new ATOM 270 N VAL A 19 -4.107 -2.199 2.528 1.00 0.00 N ATOM 271 CA VAL A 19 -3.933 -1.648 1.199 1.00 0.00 C ATOM 272 C VAL A 19 -5.148 -0.833 0.758 1.00 0.00 C ATOM 273 O VAL A 19 -5.002 0.231 0.150 1.00 0.00 O ATOM 274 CB VAL A 19 -3.657 -2.774 0.188 1.00 0.00 C ATOM 275 CG1 VAL A 19 -3.459 -2.235 -1.216 1.00 0.00 C ATOM 276 CG2 VAL A 19 -2.457 -3.591 0.623 1.00 0.00 C ATOM 0 H VAL A 19 -4.188 -3.215 2.563 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.077 -0.974 1.232 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.534 -3.421 0.166 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.267 -3.062 -1.899 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.357 -1.704 -1.532 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.611 -1.551 -1.227 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.274 -4.384 -0.102 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.580 -2.946 0.684 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.652 -4.032 1.601 1.00 0.00 H new ATOM 286 N GLN A 20 -6.342 -1.330 1.061 1.00 0.00 N ATOM 287 CA GLN A 20 -7.569 -0.644 0.684 1.00 0.00 C ATOM 288 C GLN A 20 -7.656 0.729 1.347 1.00 0.00 C ATOM 289 O GLN A 20 -8.052 1.705 0.708 1.00 0.00 O ATOM 290 CB GLN A 20 -8.800 -1.484 1.035 1.00 0.00 C ATOM 291 CG GLN A 20 -9.058 -1.626 2.522 1.00 0.00 C ATOM 292 CD GLN A 20 -10.224 -2.545 2.837 1.00 0.00 C ATOM 293 OE1 GLN A 20 -10.859 -3.091 1.811 1.00 0.00 O flip ATOM 294 NE2 GLN A 20 -10.558 -2.750 4.002 1.00 0.00 N flip ATOM 0 H GLN A 20 -6.485 -2.205 1.566 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.548 -0.502 -0.397 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -9.676 -1.035 0.568 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -8.682 -2.478 0.603 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -8.160 -2.009 3.006 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -9.254 -0.641 2.947 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -10.043 -2.311 4.765 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -11.350 -3.360 4.206 1.00 0.00 H new ATOM 303 N HIS A 21 -7.289 0.818 2.627 1.00 0.00 N ATOM 304 CA HIS A 21 -7.354 2.100 3.309 1.00 0.00 C ATOM 305 C HIS A 21 -6.146 2.971 2.957 1.00 0.00 C ATOM 306 O HIS A 21 -6.192 4.186 3.135 1.00 0.00 O ATOM 307 CB HIS A 21 -7.529 1.950 4.826 1.00 0.00 C ATOM 308 CG HIS A 21 -6.266 1.853 5.587 1.00 0.00 C ATOM 309 ND1 HIS A 21 -5.487 0.747 5.569 1.00 0.00 N ATOM 310 CD2 HIS A 21 -5.625 2.767 6.356 1.00 0.00 C ATOM 311 CE1 HIS A 21 -4.409 0.995 6.296 1.00 0.00 C ATOM 312 NE2 HIS A 21 -4.434 2.205 6.806 1.00 0.00 N ATOM 0 H HIS A 21 -6.954 0.039 3.194 1.00 0.00 H new ATOM 0 HA HIS A 21 -8.248 2.610 2.950 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -8.097 2.802 5.198 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -8.125 1.059 5.023 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -5.979 3.762 6.581 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -3.607 0.289 6.451 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -3.731 2.640 7.404 1.00 0.00 H new ATOM 320 N LEU A 22 -5.085 2.365 2.416 1.00 0.00 N ATOM 321 CA LEU A 22 -3.919 3.137 2.000 1.00 0.00 C ATOM 322 C LEU A 22 -4.288 3.923 0.760 1.00 0.00 C ATOM 323 O LEU A 22 -3.953 5.095 0.624 1.00 0.00 O ATOM 324 CB LEU A 22 -2.700 2.255 1.708 1.00 0.00 C ATOM 325 CG LEU A 22 -1.987 1.680 2.932 1.00 0.00 C ATOM 326 CD1 LEU A 22 -0.601 1.186 2.558 1.00 0.00 C ATOM 327 CD2 LEU A 22 -1.908 2.712 4.035 1.00 0.00 C ATOM 0 H LEU A 22 -5.012 1.360 2.259 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.639 3.799 2.819 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.017 1.427 1.074 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.981 2.839 1.133 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.564 0.832 3.300 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.109 0.780 3.442 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.685 0.408 1.800 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.013 2.015 2.164 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.397 2.284 4.898 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.355 3.582 3.681 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.915 3.015 4.323 1.00 0.00 H new ATOM 339 N GLN A 23 -5.020 3.268 -0.129 1.00 0.00 N ATOM 340 CA GLN A 23 -5.484 3.905 -1.343 1.00 0.00 C ATOM 341 C GLN A 23 -6.562 4.918 -0.966 1.00 0.00 C ATOM 342 O GLN A 23 -6.696 5.967 -1.596 1.00 0.00 O ATOM 343 CB GLN A 23 -6.036 2.858 -2.314 1.00 0.00 C ATOM 344 CG GLN A 23 -5.609 3.064 -3.760 1.00 0.00 C ATOM 345 CD GLN A 23 -6.357 4.182 -4.463 1.00 0.00 C ATOM 346 OE1 GLN A 23 -5.880 4.727 -5.457 1.00 0.00 O ATOM 347 NE2 GLN A 23 -7.546 4.513 -3.977 1.00 0.00 N ATOM 0 H GLN A 23 -5.304 2.293 -0.028 1.00 0.00 H new ATOM 0 HA GLN A 23 -4.659 4.414 -1.842 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -5.712 1.870 -1.988 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.125 2.869 -2.263 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -4.541 3.280 -3.787 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -5.760 2.135 -4.310 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -7.909 4.039 -3.150 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -8.097 5.242 -4.430 1.00 0.00 H new ATOM 356 N ALA A 24 -7.305 4.592 0.098 1.00 0.00 N ATOM 357 CA ALA A 24 -8.357 5.462 0.620 1.00 0.00 C ATOM 358 C ALA A 24 -7.772 6.814 0.981 1.00 0.00 C ATOM 359 O ALA A 24 -8.216 7.848 0.489 1.00 0.00 O ATOM 360 CB ALA A 24 -8.994 4.837 1.854 1.00 0.00 C ATOM 0 H ALA A 24 -7.192 3.721 0.617 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.120 5.589 -0.148 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -9.776 5.495 2.233 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.428 3.872 1.591 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -8.235 4.695 2.623 1.00 0.00 H new ATOM 366 N ALA A 25 -6.753 6.784 1.830 1.00 0.00 N ATOM 367 CA ALA A 25 -6.070 7.991 2.252 1.00 0.00 C ATOM 368 C ALA A 25 -5.439 8.669 1.049 1.00 0.00 C ATOM 369 O ALA A 25 -5.474 9.894 0.920 1.00 0.00 O ATOM 370 CB ALA A 25 -5.015 7.663 3.295 1.00 0.00 C ATOM 0 H ALA A 25 -6.382 5.927 2.241 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.793 8.672 2.701 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.510 8.579 3.603 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.490 7.202 4.161 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.286 6.972 2.871 1.00 0.00 H new ATOM 376 N PHE A 26 -4.878 7.848 0.161 1.00 0.00 N ATOM 377 CA PHE A 26 -4.240 8.335 -1.055 1.00 0.00 C ATOM 378 C PHE A 26 -5.187 9.200 -1.869 1.00 0.00 C ATOM 379 O PHE A 26 -4.745 10.081 -2.579 1.00 0.00 O ATOM 380 CB PHE A 26 -3.784 7.184 -1.953 1.00 0.00 C ATOM 381 CG PHE A 26 -2.302 6.983 -2.020 1.00 0.00 C ATOM 382 CD1 PHE A 26 -1.429 8.058 -2.140 1.00 0.00 C ATOM 383 CD2 PHE A 26 -1.782 5.703 -1.991 1.00 0.00 C ATOM 384 CE1 PHE A 26 -0.068 7.848 -2.224 1.00 0.00 C ATOM 385 CE2 PHE A 26 -0.423 5.491 -2.073 1.00 0.00 C ATOM 386 CZ PHE A 26 0.435 6.563 -2.191 1.00 0.00 C ATOM 0 H PHE A 26 -4.855 6.834 0.266 1.00 0.00 H new ATOM 0 HA PHE A 26 -3.379 8.919 -0.730 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -4.245 6.262 -1.599 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.158 7.360 -2.962 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -1.819 9.065 -2.168 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.449 4.858 -1.903 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.604 8.689 -2.316 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.030 4.485 -2.045 1.00 0.00 H new ATOM 0 HZ PHE A 26 1.500 6.398 -2.258 1.00 0.00 H new ATOM 396 N SER A 27 -6.490 8.930 -1.776 1.00 0.00 N ATOM 397 CA SER A 27 -7.494 9.692 -2.523 1.00 0.00 C ATOM 398 C SER A 27 -7.291 11.199 -2.341 1.00 0.00 C ATOM 399 O SER A 27 -7.639 11.995 -3.211 1.00 0.00 O ATOM 400 CB SER A 27 -8.899 9.274 -2.077 1.00 0.00 C ATOM 401 OG SER A 27 -9.913 9.915 -2.841 1.00 0.00 O ATOM 0 H SER A 27 -6.876 8.189 -1.191 1.00 0.00 H new ATOM 0 HA SER A 27 -7.380 9.471 -3.584 1.00 0.00 H new ATOM 0 HB2 SER A 27 -9.003 8.193 -2.171 1.00 0.00 H new ATOM 0 HB3 SER A 27 -9.032 9.516 -1.023 1.00 0.00 H new ATOM 0 HG SER A 27 -10.794 9.621 -2.527 1.00 0.00 H new ATOM 407 N GLN A 28 -6.704 11.581 -1.214 1.00 0.00 N ATOM 408 CA GLN A 28 -6.428 12.980 -0.925 1.00 0.00 C ATOM 409 C GLN A 28 -4.989 13.339 -1.291 1.00 0.00 C ATOM 410 O GLN A 28 -4.725 14.402 -1.844 1.00 0.00 O ATOM 411 CB GLN A 28 -6.659 13.264 0.566 1.00 0.00 C ATOM 412 CG GLN A 28 -8.036 12.866 1.071 1.00 0.00 C ATOM 413 CD GLN A 28 -9.127 13.809 0.620 1.00 0.00 C ATOM 414 OE1 GLN A 28 -8.738 14.991 0.169 1.00 0.00 O flip ATOM 415 NE2 GLN A 28 -10.310 13.487 0.692 1.00 0.00 N flip ATOM 0 H GLN A 28 -6.409 10.936 -0.481 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.105 13.589 -1.524 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.904 12.733 1.146 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.511 14.328 0.749 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -8.267 11.859 0.723 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -8.021 12.831 2.160 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -10.567 12.566 1.046 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -11.035 14.141 0.398 1.00 0.00 H new ATOM 424 N TYR A 29 -4.064 12.454 -0.950 1.00 0.00 N ATOM 425 CA TYR A 29 -2.639 12.675 -1.196 1.00 0.00 C ATOM 426 C TYR A 29 -2.249 12.532 -2.663 1.00 0.00 C ATOM 427 O TYR A 29 -1.204 13.032 -3.078 1.00 0.00 O ATOM 428 CB TYR A 29 -1.833 11.705 -0.357 1.00 0.00 C ATOM 429 CG TYR A 29 -2.300 11.702 1.066 1.00 0.00 C ATOM 430 CD1 TYR A 29 -2.422 12.884 1.778 1.00 0.00 C ATOM 431 CD2 TYR A 29 -2.672 10.523 1.678 1.00 0.00 C ATOM 432 CE1 TYR A 29 -2.892 12.889 3.064 1.00 0.00 C ATOM 433 CE2 TYR A 29 -3.153 10.514 2.964 1.00 0.00 C ATOM 434 CZ TYR A 29 -3.262 11.701 3.659 1.00 0.00 C ATOM 435 OH TYR A 29 -3.743 11.700 4.948 1.00 0.00 O ATOM 0 H TYR A 29 -4.274 11.565 -0.497 1.00 0.00 H new ATOM 0 HA TYR A 29 -2.422 13.706 -0.916 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -1.920 10.701 -0.773 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -0.778 11.976 -0.396 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -2.142 13.817 1.311 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -2.584 9.592 1.137 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -2.973 13.818 3.609 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -3.444 9.584 3.429 1.00 0.00 H new ATOM 0 HH TYR A 29 -3.222 12.327 5.492 1.00 0.00 H new ATOM 445 N LYS A 30 -3.072 11.849 -3.442 1.00 0.00 N ATOM 446 CA LYS A 30 -2.780 11.653 -4.861 1.00 0.00 C ATOM 447 C LYS A 30 -2.929 12.959 -5.624 1.00 0.00 C ATOM 448 O LYS A 30 -2.270 13.173 -6.640 1.00 0.00 O ATOM 449 CB LYS A 30 -3.670 10.567 -5.485 1.00 0.00 C ATOM 450 CG LYS A 30 -3.293 9.156 -5.059 1.00 0.00 C ATOM 451 CD LYS A 30 -3.993 8.100 -5.907 1.00 0.00 C ATOM 452 CE LYS A 30 -5.507 8.164 -5.760 1.00 0.00 C ATOM 453 NZ LYS A 30 -6.197 7.203 -6.666 1.00 0.00 N ATOM 0 H LYS A 30 -3.942 11.422 -3.123 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.746 11.315 -4.935 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -4.708 10.756 -5.210 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.610 10.639 -6.571 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.213 9.029 -5.139 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -3.554 9.011 -4.011 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.724 8.239 -6.954 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.642 7.110 -5.616 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -5.780 7.949 -4.727 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.850 9.176 -5.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -7.187 7.496 -6.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.718 7.191 -7.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.169 6.251 -6.248 1.00 0.00 H new ATOM 467 N LYS A 31 -3.769 13.842 -5.111 1.00 0.00 N ATOM 468 CA LYS A 31 -3.977 15.137 -5.726 1.00 0.00 C ATOM 469 C LYS A 31 -3.305 16.217 -4.890 1.00 0.00 C ATOM 470 O LYS A 31 -3.755 17.363 -4.828 1.00 0.00 O ATOM 471 CB LYS A 31 -5.478 15.411 -5.931 1.00 0.00 C ATOM 472 CG LYS A 31 -6.351 15.157 -4.708 1.00 0.00 C ATOM 473 CD LYS A 31 -6.472 16.391 -3.832 1.00 0.00 C ATOM 474 CE LYS A 31 -7.342 16.128 -2.621 1.00 0.00 C ATOM 475 NZ LYS A 31 -7.594 17.369 -1.842 1.00 0.00 N ATOM 0 H LYS A 31 -4.319 13.682 -4.267 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.518 15.145 -6.715 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.604 16.449 -6.240 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.837 14.789 -6.751 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.344 14.842 -5.030 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.930 14.338 -4.125 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.481 16.707 -3.507 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.894 17.211 -4.413 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.292 15.701 -2.942 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.860 15.389 -1.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.193 17.148 -1.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.689 17.763 -1.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.076 18.066 -2.445 1.00 0.00 H new ATOM 489 N VAL A 32 -2.210 15.820 -4.255 1.00 0.00 N ATOM 490 CA VAL A 32 -1.434 16.713 -3.415 1.00 0.00 C ATOM 491 C VAL A 32 -0.298 17.364 -4.201 1.00 0.00 C ATOM 492 O VAL A 32 -0.055 18.566 -4.064 1.00 0.00 O ATOM 493 CB VAL A 32 -0.886 15.962 -2.177 1.00 0.00 C ATOM 494 CG1 VAL A 32 0.365 16.605 -1.609 1.00 0.00 C ATOM 495 CG2 VAL A 32 -1.955 15.876 -1.105 1.00 0.00 C ATOM 0 H VAL A 32 -1.838 14.872 -4.310 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.097 17.506 -3.069 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.611 14.961 -2.508 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.705 16.037 -0.743 1.00 0.00 H new ATOM 0 HG12 VAL A 32 1.147 16.612 -2.368 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.143 17.629 -1.307 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.560 15.346 -0.239 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.256 16.881 -0.809 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.819 15.339 -1.495 1.00 0.00 H new ATOM 505 N GLU A 33 0.390 16.594 -5.042 1.00 0.00 N ATOM 506 CA GLU A 33 1.464 17.173 -5.830 1.00 0.00 C ATOM 507 C GLU A 33 0.984 17.515 -7.210 1.00 0.00 C ATOM 508 O GLU A 33 0.879 16.668 -8.101 1.00 0.00 O ATOM 509 CB GLU A 33 2.674 16.283 -5.945 1.00 0.00 C ATOM 510 CG GLU A 33 3.827 16.967 -6.669 1.00 0.00 C ATOM 511 CD GLU A 33 5.010 16.067 -6.916 1.00 0.00 C ATOM 512 OE1 GLU A 33 4.844 15.017 -7.567 1.00 0.00 O ATOM 513 OE2 GLU A 33 6.114 16.429 -6.478 1.00 0.00 O ATOM 0 H GLU A 33 0.227 15.598 -5.190 1.00 0.00 H new ATOM 0 HA GLU A 33 1.767 18.073 -5.294 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.999 15.985 -4.948 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.403 15.372 -6.478 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.468 17.350 -7.624 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.152 17.827 -6.083 1.00 0.00 H new ATOM 520 N LEU A 34 0.708 18.775 -7.347 1.00 0.00 N ATOM 521 CA LEU A 34 0.231 19.371 -8.578 1.00 0.00 C ATOM 522 C LEU A 34 0.212 20.888 -8.438 1.00 0.00 C ATOM 523 O LEU A 34 0.400 21.611 -9.416 1.00 0.00 O ATOM 524 CB LEU A 34 -1.138 18.807 -8.998 1.00 0.00 C ATOM 525 CG LEU A 34 -2.336 18.899 -8.034 1.00 0.00 C ATOM 526 CD1 LEU A 34 -3.120 17.612 -8.106 1.00 0.00 C ATOM 527 CD2 LEU A 34 -2.002 19.227 -6.590 1.00 0.00 C ATOM 0 H LEU A 34 0.808 19.447 -6.586 1.00 0.00 H new ATOM 0 HA LEU A 34 0.919 19.109 -9.382 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.426 19.308 -9.922 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.995 17.753 -9.238 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.922 19.753 -8.374 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.971 17.666 -7.427 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.477 17.460 -9.125 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.479 16.779 -7.818 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.920 19.266 -6.004 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.345 18.457 -6.185 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.500 20.194 -6.543 1.00 0.00 H new ATOM 676 N VAL B 45 2.420 -23.547 -1.876 1.00 0.00 N ATOM 677 CA VAL B 45 1.769 -22.804 -0.801 1.00 0.00 C ATOM 678 C VAL B 45 2.814 -22.223 0.156 1.00 0.00 C ATOM 679 O VAL B 45 2.661 -21.106 0.654 1.00 0.00 O ATOM 680 CB VAL B 45 0.775 -23.700 -0.023 1.00 0.00 C ATOM 681 CG1 VAL B 45 0.119 -22.943 1.123 1.00 0.00 C ATOM 682 CG2 VAL B 45 -0.283 -24.262 -0.966 1.00 0.00 C ATOM 0 HA VAL B 45 1.208 -21.986 -1.253 1.00 0.00 H new ATOM 0 HB VAL B 45 1.339 -24.527 0.407 1.00 0.00 H new ATOM 0 HG11 VAL B 45 -0.572 -23.603 1.647 1.00 0.00 H new ATOM 0 HG12 VAL B 45 0.886 -22.597 1.816 1.00 0.00 H new ATOM 0 HG13 VAL B 45 -0.427 -22.086 0.728 1.00 0.00 H new ATOM 0 HG21 VAL B 45 -0.975 -24.890 -0.404 1.00 0.00 H new ATOM 0 HG22 VAL B 45 -0.832 -23.441 -1.428 1.00 0.00 H new ATOM 0 HG23 VAL B 45 0.200 -24.857 -1.741 1.00 0.00 H new ATOM 692 N ALA B 46 3.894 -22.960 0.389 1.00 0.00 N ATOM 693 CA ALA B 46 4.957 -22.473 1.258 1.00 0.00 C ATOM 694 C ALA B 46 5.707 -21.345 0.556 1.00 0.00 C ATOM 695 O ALA B 46 6.126 -20.372 1.178 1.00 0.00 O ATOM 696 CB ALA B 46 5.895 -23.594 1.659 1.00 0.00 C ATOM 0 H ALA B 46 4.055 -23.886 -0.007 1.00 0.00 H new ATOM 0 HA ALA B 46 4.516 -22.085 2.176 1.00 0.00 H new ATOM 0 HB1 ALA B 46 6.677 -23.199 2.307 1.00 0.00 H new ATOM 0 HB2 ALA B 46 5.336 -24.363 2.192 1.00 0.00 H new ATOM 0 HB3 ALA B 46 6.347 -24.027 0.767 1.00 0.00 H new ATOM 702 N SER B 47 5.811 -21.457 -0.763 1.00 0.00 N ATOM 703 CA SER B 47 6.441 -20.426 -1.578 1.00 0.00 C ATOM 704 C SER B 47 5.544 -19.192 -1.581 1.00 0.00 C ATOM 705 O SER B 47 5.974 -18.062 -1.837 1.00 0.00 O ATOM 706 CB SER B 47 6.641 -20.937 -3.006 1.00 0.00 C ATOM 707 OG SER B 47 7.433 -22.117 -3.024 1.00 0.00 O ATOM 0 H SER B 47 5.465 -22.257 -1.293 1.00 0.00 H new ATOM 0 HA SER B 47 7.417 -20.171 -1.165 1.00 0.00 H new ATOM 0 HB2 SER B 47 5.672 -21.140 -3.462 1.00 0.00 H new ATOM 0 HB3 SER B 47 7.121 -20.165 -3.607 1.00 0.00 H new ATOM 0 HG SER B 47 7.543 -22.423 -3.949 1.00 0.00 H new ATOM 713 N LEU B 48 4.287 -19.430 -1.261 1.00 0.00 N ATOM 714 CA LEU B 48 3.305 -18.380 -1.193 1.00 0.00 C ATOM 715 C LEU B 48 3.495 -17.570 0.082 1.00 0.00 C ATOM 716 O LEU B 48 3.201 -16.387 0.110 1.00 0.00 O ATOM 717 CB LEU B 48 1.903 -18.984 -1.234 1.00 0.00 C ATOM 718 CG LEU B 48 0.765 -17.983 -1.306 1.00 0.00 C ATOM 719 CD1 LEU B 48 0.742 -17.335 -2.676 1.00 0.00 C ATOM 720 CD2 LEU B 48 -0.563 -18.663 -1.026 1.00 0.00 C ATOM 0 H LEU B 48 3.924 -20.358 -1.042 1.00 0.00 H new ATOM 0 HA LEU B 48 3.429 -17.716 -2.048 1.00 0.00 H new ATOM 0 HB2 LEU B 48 1.836 -19.647 -2.097 1.00 0.00 H new ATOM 0 HB3 LEU B 48 1.766 -19.601 -0.346 1.00 0.00 H new ATOM 0 HG LEU B 48 0.923 -17.216 -0.548 1.00 0.00 H new ATOM 0 HD11 LEU B 48 -0.076 -16.617 -2.725 1.00 0.00 H new ATOM 0 HD12 LEU B 48 1.687 -16.821 -2.851 1.00 0.00 H new ATOM 0 HD13 LEU B 48 0.599 -18.101 -3.438 1.00 0.00 H new ATOM 0 HD21 LEU B 48 -1.367 -17.929 -1.082 1.00 0.00 H new ATOM 0 HD22 LEU B 48 -0.734 -19.446 -1.765 1.00 0.00 H new ATOM 0 HD23 LEU B 48 -0.543 -19.104 -0.029 1.00 0.00 H new ATOM 732 N ARG B 49 3.993 -18.224 1.128 1.00 0.00 N ATOM 733 CA ARG B 49 4.238 -17.569 2.415 1.00 0.00 C ATOM 734 C ARG B 49 5.341 -16.532 2.278 1.00 0.00 C ATOM 735 O ARG B 49 5.282 -15.462 2.871 1.00 0.00 O ATOM 736 CB ARG B 49 4.670 -18.580 3.484 1.00 0.00 C ATOM 737 CG ARG B 49 3.981 -19.933 3.412 1.00 0.00 C ATOM 738 CD ARG B 49 2.482 -19.816 3.596 1.00 0.00 C ATOM 739 NE ARG B 49 2.141 -18.999 4.763 1.00 0.00 N ATOM 740 CZ ARG B 49 2.299 -19.402 6.026 1.00 0.00 C ATOM 741 NH1 ARG B 49 2.693 -20.641 6.286 1.00 0.00 N ATOM 742 NH2 ARG B 49 2.064 -18.563 7.026 1.00 0.00 N ATOM 0 H ARG B 49 4.237 -19.214 1.111 1.00 0.00 H new ATOM 0 HA ARG B 49 3.303 -17.097 2.717 1.00 0.00 H new ATOM 0 HB2 ARG B 49 5.746 -18.733 3.402 1.00 0.00 H new ATOM 0 HB3 ARG B 49 4.484 -18.147 4.467 1.00 0.00 H new ATOM 0 HG2 ARG B 49 4.193 -20.397 2.449 1.00 0.00 H new ATOM 0 HG3 ARG B 49 4.390 -20.590 4.179 1.00 0.00 H new ATOM 0 HD2 ARG B 49 2.039 -19.377 2.702 1.00 0.00 H new ATOM 0 HD3 ARG B 49 2.051 -20.811 3.710 1.00 0.00 H new ATOM 0 HE ARG B 49 1.760 -18.067 4.601 1.00 0.00 H new ATOM 0 HH11 ARG B 49 2.876 -21.289 5.520 1.00 0.00 H new ATOM 0 HH12 ARG B 49 2.813 -20.946 7.252 1.00 0.00 H new ATOM 0 HH21 ARG B 49 1.762 -17.608 6.831 1.00 0.00 H new ATOM 0 HH22 ARG B 49 2.185 -18.872 7.990 1.00 0.00 H new ATOM 756 N GLN B 50 6.357 -16.865 1.499 1.00 0.00 N ATOM 757 CA GLN B 50 7.470 -15.958 1.286 1.00 0.00 C ATOM 758 C GLN B 50 7.022 -14.772 0.439 1.00 0.00 C ATOM 759 O GLN B 50 7.366 -13.623 0.723 1.00 0.00 O ATOM 760 CB GLN B 50 8.642 -16.685 0.616 1.00 0.00 C ATOM 761 CG GLN B 50 8.258 -17.993 -0.051 1.00 0.00 C ATOM 762 CD GLN B 50 9.358 -18.538 -0.944 1.00 0.00 C ATOM 763 OE1 GLN B 50 10.427 -18.917 -0.464 1.00 0.00 O ATOM 764 NE2 GLN B 50 9.114 -18.555 -2.245 1.00 0.00 N ATOM 0 H GLN B 50 6.433 -17.754 1.005 1.00 0.00 H new ATOM 0 HA GLN B 50 7.809 -15.590 2.254 1.00 0.00 H new ATOM 0 HB2 GLN B 50 9.086 -16.026 -0.130 1.00 0.00 H new ATOM 0 HB3 GLN B 50 9.409 -16.882 1.365 1.00 0.00 H new ATOM 0 HG2 GLN B 50 8.018 -18.730 0.715 1.00 0.00 H new ATOM 0 HG3 GLN B 50 7.355 -17.843 -0.643 1.00 0.00 H new ATOM 0 HE21 GLN B 50 8.214 -18.232 -2.599 1.00 0.00 H new ATOM 0 HE22 GLN B 50 9.826 -18.892 -2.893 1.00 0.00 H new ATOM 773 N GLN B 51 6.239 -15.065 -0.598 1.00 0.00 N ATOM 774 CA GLN B 51 5.725 -14.030 -1.494 1.00 0.00 C ATOM 775 C GLN B 51 4.762 -13.091 -0.769 1.00 0.00 C ATOM 776 O GLN B 51 4.705 -11.893 -1.052 1.00 0.00 O ATOM 777 CB GLN B 51 5.013 -14.681 -2.685 1.00 0.00 C ATOM 778 CG GLN B 51 4.415 -13.685 -3.670 1.00 0.00 C ATOM 779 CD GLN B 51 3.671 -14.355 -4.807 1.00 0.00 C ATOM 780 OE1 GLN B 51 3.704 -15.680 -4.842 1.00 0.00 O flip ATOM 781 NE2 GLN B 51 3.069 -13.688 -5.647 1.00 0.00 N flip ATOM 0 H GLN B 51 5.946 -16.012 -0.839 1.00 0.00 H new ATOM 0 HA GLN B 51 6.571 -13.440 -1.847 1.00 0.00 H new ATOM 0 HB2 GLN B 51 5.721 -15.319 -3.214 1.00 0.00 H new ATOM 0 HB3 GLN B 51 4.219 -15.328 -2.311 1.00 0.00 H new ATOM 0 HG2 GLN B 51 3.734 -13.020 -3.139 1.00 0.00 H new ATOM 0 HG3 GLN B 51 5.212 -13.064 -4.080 1.00 0.00 H new ATOM 0 HE21 GLN B 51 3.068 -12.670 -5.585 1.00 0.00 H new ATOM 0 HE22 GLN B 51 2.571 -14.153 -6.406 1.00 0.00 H new ATOM 790 N VAL B 52 3.995 -13.648 0.150 1.00 0.00 N ATOM 791 CA VAL B 52 3.015 -12.887 0.901 1.00 0.00 C ATOM 792 C VAL B 52 3.694 -12.049 1.984 1.00 0.00 C ATOM 793 O VAL B 52 3.241 -10.951 2.308 1.00 0.00 O ATOM 794 CB VAL B 52 1.936 -13.852 1.471 1.00 0.00 C ATOM 795 CG1 VAL B 52 2.426 -14.646 2.667 1.00 0.00 C ATOM 796 CG2 VAL B 52 0.652 -13.148 1.808 1.00 0.00 C ATOM 0 H VAL B 52 4.034 -14.637 0.396 1.00 0.00 H new ATOM 0 HA VAL B 52 2.510 -12.181 0.242 1.00 0.00 H new ATOM 0 HB VAL B 52 1.734 -14.557 0.665 1.00 0.00 H new ATOM 0 HG11 VAL B 52 1.629 -15.301 3.020 1.00 0.00 H new ATOM 0 HG12 VAL B 52 3.288 -15.247 2.377 1.00 0.00 H new ATOM 0 HG13 VAL B 52 2.713 -13.962 3.465 1.00 0.00 H new ATOM 0 HG21 VAL B 52 -0.065 -13.868 2.201 1.00 0.00 H new ATOM 0 HG22 VAL B 52 0.844 -12.380 2.558 1.00 0.00 H new ATOM 0 HG23 VAL B 52 0.245 -12.684 0.910 1.00 0.00 H new ATOM 806 N GLU B 53 4.818 -12.551 2.492 1.00 0.00 N ATOM 807 CA GLU B 53 5.604 -11.833 3.489 1.00 0.00 C ATOM 808 C GLU B 53 6.265 -10.644 2.804 1.00 0.00 C ATOM 809 O GLU B 53 6.493 -9.596 3.406 1.00 0.00 O ATOM 810 CB GLU B 53 6.653 -12.772 4.099 1.00 0.00 C ATOM 811 CG GLU B 53 7.511 -12.153 5.188 1.00 0.00 C ATOM 812 CD GLU B 53 8.497 -13.143 5.760 1.00 0.00 C ATOM 813 OE1 GLU B 53 8.048 -14.142 6.357 1.00 0.00 O ATOM 814 OE2 GLU B 53 9.712 -12.935 5.594 1.00 0.00 O ATOM 0 H GLU B 53 5.205 -13.457 2.227 1.00 0.00 H new ATOM 0 HA GLU B 53 4.967 -11.477 4.299 1.00 0.00 H new ATOM 0 HB2 GLU B 53 6.144 -13.644 4.510 1.00 0.00 H new ATOM 0 HB3 GLU B 53 7.305 -13.130 3.303 1.00 0.00 H new ATOM 0 HG2 GLU B 53 8.050 -11.297 4.782 1.00 0.00 H new ATOM 0 HG3 GLU B 53 6.870 -11.777 5.985 1.00 0.00 H new ATOM 821 N ALA B 54 6.538 -10.828 1.517 1.00 0.00 N ATOM 822 CA ALA B 54 7.140 -9.802 0.683 1.00 0.00 C ATOM 823 C ALA B 54 6.187 -8.633 0.509 1.00 0.00 C ATOM 824 O ALA B 54 6.520 -7.485 0.814 1.00 0.00 O ATOM 825 CB ALA B 54 7.453 -10.387 -0.674 1.00 0.00 C ATOM 0 H ALA B 54 6.346 -11.699 1.023 1.00 0.00 H new ATOM 0 HA ALA B 54 8.053 -9.448 1.163 1.00 0.00 H new ATOM 0 HB1 ALA B 54 7.905 -9.622 -1.305 1.00 0.00 H new ATOM 0 HB2 ALA B 54 8.147 -11.220 -0.560 1.00 0.00 H new ATOM 0 HB3 ALA B 54 6.533 -10.742 -1.138 1.00 0.00 H new ATOM 831 N LEU B 55 4.995 -8.947 0.010 1.00 0.00 N ATOM 832 CA LEU B 55 3.960 -7.950 -0.221 1.00 0.00 C ATOM 833 C LEU B 55 3.629 -7.231 1.079 1.00 0.00 C ATOM 834 O LEU B 55 3.343 -6.035 1.087 1.00 0.00 O ATOM 835 CB LEU B 55 2.709 -8.628 -0.788 1.00 0.00 C ATOM 836 CG LEU B 55 1.631 -7.682 -1.322 1.00 0.00 C ATOM 837 CD1 LEU B 55 2.154 -6.892 -2.512 1.00 0.00 C ATOM 838 CD2 LEU B 55 0.392 -8.463 -1.722 1.00 0.00 C ATOM 0 H LEU B 55 4.722 -9.896 -0.244 1.00 0.00 H new ATOM 0 HA LEU B 55 4.322 -7.216 -0.941 1.00 0.00 H new ATOM 0 HB2 LEU B 55 3.013 -9.296 -1.594 1.00 0.00 H new ATOM 0 HB3 LEU B 55 2.269 -9.249 -0.008 1.00 0.00 H new ATOM 0 HG LEU B 55 1.367 -6.983 -0.528 1.00 0.00 H new ATOM 0 HD11 LEU B 55 1.373 -6.225 -2.878 1.00 0.00 H new ATOM 0 HD12 LEU B 55 3.020 -6.304 -2.206 1.00 0.00 H new ATOM 0 HD13 LEU B 55 2.445 -7.580 -3.306 1.00 0.00 H new ATOM 0 HD21 LEU B 55 -0.365 -7.776 -2.100 1.00 0.00 H new ATOM 0 HD22 LEU B 55 0.650 -9.182 -2.500 1.00 0.00 H new ATOM 0 HD23 LEU B 55 0.000 -8.993 -0.854 1.00 0.00 H new ATOM 850 N GLN B 56 3.697 -7.972 2.176 1.00 0.00 N ATOM 851 CA GLN B 56 3.425 -7.421 3.496 1.00 0.00 C ATOM 852 C GLN B 56 4.468 -6.379 3.865 1.00 0.00 C ATOM 853 O GLN B 56 4.129 -5.304 4.354 1.00 0.00 O ATOM 854 CB GLN B 56 3.389 -8.542 4.537 1.00 0.00 C ATOM 855 CG GLN B 56 3.588 -8.060 5.964 1.00 0.00 C ATOM 856 CD GLN B 56 3.254 -9.112 7.002 1.00 0.00 C ATOM 857 OE1 GLN B 56 3.900 -10.156 7.071 1.00 0.00 O ATOM 858 NE2 GLN B 56 2.244 -8.844 7.817 1.00 0.00 N ATOM 0 H GLN B 56 3.940 -8.963 2.177 1.00 0.00 H new ATOM 0 HA GLN B 56 2.450 -6.933 3.477 1.00 0.00 H new ATOM 0 HB2 GLN B 56 2.432 -9.059 4.468 1.00 0.00 H new ATOM 0 HB3 GLN B 56 4.163 -9.272 4.299 1.00 0.00 H new ATOM 0 HG2 GLN B 56 4.624 -7.747 6.094 1.00 0.00 H new ATOM 0 HG3 GLN B 56 2.966 -7.181 6.134 1.00 0.00 H new ATOM 0 HE21 GLN B 56 1.734 -7.965 7.726 1.00 0.00 H new ATOM 0 HE22 GLN B 56 1.976 -9.516 8.536 1.00 0.00 H new ATOM 867 N GLY B 57 5.729 -6.698 3.621 1.00 0.00 N ATOM 868 CA GLY B 57 6.804 -5.768 3.920 1.00 0.00 C ATOM 869 C GLY B 57 6.650 -4.470 3.150 1.00 0.00 C ATOM 870 O GLY B 57 7.014 -3.391 3.631 1.00 0.00 O ATOM 0 H GLY B 57 6.031 -7.586 3.220 1.00 0.00 H new ATOM 0 HA2 GLY B 57 6.817 -5.558 4.989 1.00 0.00 H new ATOM 0 HA3 GLY B 57 7.762 -6.227 3.673 1.00 0.00 H new ATOM 874 N GLN B 58 6.086 -4.568 1.958 1.00 0.00 N ATOM 875 CA GLN B 58 5.870 -3.393 1.130 1.00 0.00 C ATOM 876 C GLN B 58 4.764 -2.526 1.707 1.00 0.00 C ATOM 877 O GLN B 58 4.884 -1.314 1.764 1.00 0.00 O ATOM 878 CB GLN B 58 5.522 -3.800 -0.298 1.00 0.00 C ATOM 879 CG GLN B 58 6.555 -4.701 -0.938 1.00 0.00 C ATOM 880 CD GLN B 58 6.203 -5.063 -2.366 1.00 0.00 C ATOM 881 OE1 GLN B 58 5.194 -5.721 -2.624 1.00 0.00 O ATOM 882 NE2 GLN B 58 7.025 -4.621 -3.302 1.00 0.00 N ATOM 0 H GLN B 58 5.771 -5.445 1.543 1.00 0.00 H new ATOM 0 HA GLN B 58 6.794 -2.816 1.115 1.00 0.00 H new ATOM 0 HB2 GLN B 58 4.558 -4.309 -0.298 1.00 0.00 H new ATOM 0 HB3 GLN B 58 5.408 -2.902 -0.906 1.00 0.00 H new ATOM 0 HG2 GLN B 58 7.526 -4.205 -0.921 1.00 0.00 H new ATOM 0 HG3 GLN B 58 6.652 -5.613 -0.349 1.00 0.00 H new ATOM 0 HE21 GLN B 58 7.849 -4.079 -3.042 1.00 0.00 H new ATOM 0 HE22 GLN B 58 6.835 -4.822 -4.284 1.00 0.00 H new ATOM 891 N VAL B 59 3.688 -3.146 2.126 1.00 0.00 N ATOM 892 CA VAL B 59 2.573 -2.407 2.678 1.00 0.00 C ATOM 893 C VAL B 59 2.928 -1.749 4.013 1.00 0.00 C ATOM 894 O VAL B 59 2.533 -0.612 4.276 1.00 0.00 O ATOM 895 CB VAL B 59 1.350 -3.332 2.848 1.00 0.00 C ATOM 896 CG1 VAL B 59 0.148 -2.593 3.406 1.00 0.00 C ATOM 897 CG2 VAL B 59 0.995 -3.993 1.527 1.00 0.00 C ATOM 0 H VAL B 59 3.558 -4.157 2.097 1.00 0.00 H new ATOM 0 HA VAL B 59 2.328 -1.611 1.975 1.00 0.00 H new ATOM 0 HB VAL B 59 1.625 -4.101 3.570 1.00 0.00 H new ATOM 0 HG11 VAL B 59 -0.689 -3.284 3.508 1.00 0.00 H new ATOM 0 HG12 VAL B 59 0.397 -2.178 4.382 1.00 0.00 H new ATOM 0 HG13 VAL B 59 -0.129 -1.785 2.728 1.00 0.00 H new ATOM 0 HG21 VAL B 59 0.130 -4.642 1.666 1.00 0.00 H new ATOM 0 HG22 VAL B 59 0.759 -3.227 0.789 1.00 0.00 H new ATOM 0 HG23 VAL B 59 1.841 -4.585 1.178 1.00 0.00 H new ATOM 907 N GLN B 60 3.671 -2.462 4.849 1.00 0.00 N ATOM 908 CA GLN B 60 4.059 -1.934 6.150 1.00 0.00 C ATOM 909 C GLN B 60 4.939 -0.700 6.007 1.00 0.00 C ATOM 910 O GLN B 60 4.764 0.274 6.740 1.00 0.00 O ATOM 911 CB GLN B 60 4.764 -3.004 6.987 1.00 0.00 C ATOM 912 CG GLN B 60 6.126 -3.425 6.463 1.00 0.00 C ATOM 913 CD GLN B 60 6.735 -4.565 7.260 1.00 0.00 C ATOM 914 OE1 GLN B 60 6.049 -5.000 8.311 1.00 0.00 O flip ATOM 915 NE2 GLN B 60 7.814 -5.054 6.934 1.00 0.00 N flip ATOM 0 H GLN B 60 4.015 -3.402 4.651 1.00 0.00 H new ATOM 0 HA GLN B 60 3.148 -1.638 6.669 1.00 0.00 H new ATOM 0 HB2 GLN B 60 4.881 -2.631 8.005 1.00 0.00 H new ATOM 0 HB3 GLN B 60 4.123 -3.884 7.041 1.00 0.00 H new ATOM 0 HG2 GLN B 60 6.032 -3.726 5.420 1.00 0.00 H new ATOM 0 HG3 GLN B 60 6.800 -2.569 6.488 1.00 0.00 H new ATOM 0 HE21 GLN B 60 8.312 -4.694 6.120 1.00 0.00 H new ATOM 0 HE22 GLN B 60 8.211 -5.820 7.477 1.00 0.00 H new ATOM 924 N HIS B 61 5.886 -0.725 5.067 1.00 0.00 N ATOM 925 CA HIS B 61 6.754 0.429 4.888 1.00 0.00 C ATOM 926 C HIS B 61 6.045 1.528 4.097 1.00 0.00 C ATOM 927 O HIS B 61 6.442 2.684 4.158 1.00 0.00 O ATOM 928 CB HIS B 61 8.107 0.055 4.267 1.00 0.00 C ATOM 929 CG HIS B 61 8.131 0.065 2.790 1.00 0.00 C ATOM 930 ND1 HIS B 61 7.533 -0.893 2.045 1.00 0.00 N ATOM 931 CD2 HIS B 61 8.649 0.965 1.916 1.00 0.00 C ATOM 932 CE1 HIS B 61 7.679 -0.571 0.771 1.00 0.00 C ATOM 933 NE2 HIS B 61 8.353 0.553 0.626 1.00 0.00 N ATOM 0 H HIS B 61 6.065 -1.508 4.438 1.00 0.00 H new ATOM 0 HA HIS B 61 6.976 0.823 5.880 1.00 0.00 H new ATOM 0 HB2 HIS B 61 8.864 0.748 4.634 1.00 0.00 H new ATOM 0 HB3 HIS B 61 8.389 -0.939 4.615 1.00 0.00 H new ATOM 0 HD2 HIS B 61 9.200 1.855 2.182 1.00 0.00 H new ATOM 0 HE1 HIS B 61 7.293 -1.157 -0.050 1.00 0.00 H new ATOM 0 HE2 HIS B 61 8.603 1.019 -0.247 1.00 0.00 H new ATOM 941 N LEU B 62 4.965 1.179 3.388 1.00 0.00 N ATOM 942 CA LEU B 62 4.198 2.183 2.655 1.00 0.00 C ATOM 943 C LEU B 62 3.452 3.047 3.650 1.00 0.00 C ATOM 944 O LEU B 62 3.382 4.263 3.508 1.00 0.00 O ATOM 945 CB LEU B 62 3.197 1.554 1.678 1.00 0.00 C ATOM 946 CG LEU B 62 3.793 0.950 0.408 1.00 0.00 C ATOM 947 CD1 LEU B 62 2.713 0.747 -0.640 1.00 0.00 C ATOM 948 CD2 LEU B 62 4.896 1.827 -0.135 1.00 0.00 C ATOM 0 H LEU B 62 4.610 0.226 3.309 1.00 0.00 H new ATOM 0 HA LEU B 62 4.897 2.777 2.067 1.00 0.00 H new ATOM 0 HB2 LEU B 62 2.647 0.774 2.204 1.00 0.00 H new ATOM 0 HB3 LEU B 62 2.473 2.316 1.389 1.00 0.00 H new ATOM 0 HG LEU B 62 4.220 -0.021 0.659 1.00 0.00 H new ATOM 0 HD11 LEU B 62 3.154 0.316 -1.539 1.00 0.00 H new ATOM 0 HD12 LEU B 62 1.951 0.072 -0.251 1.00 0.00 H new ATOM 0 HD13 LEU B 62 2.258 1.707 -0.884 1.00 0.00 H new ATOM 0 HD21 LEU B 62 5.306 1.378 -1.039 1.00 0.00 H new ATOM 0 HD22 LEU B 62 4.495 2.813 -0.369 1.00 0.00 H new ATOM 0 HD23 LEU B 62 5.684 1.924 0.611 1.00 0.00 H new ATOM 960 N GLN B 63 2.920 2.403 4.681 1.00 0.00 N ATOM 961 CA GLN B 63 2.213 3.111 5.727 1.00 0.00 C ATOM 962 C GLN B 63 3.242 3.880 6.555 1.00 0.00 C ATOM 963 O GLN B 63 2.970 4.968 7.060 1.00 0.00 O ATOM 964 CB GLN B 63 1.433 2.122 6.605 1.00 0.00 C ATOM 965 CG GLN B 63 0.029 2.593 6.974 1.00 0.00 C ATOM 966 CD GLN B 63 0.011 3.658 8.061 1.00 0.00 C ATOM 967 OE1 GLN B 63 -0.946 4.429 8.172 1.00 0.00 O ATOM 968 NE2 GLN B 63 1.044 3.688 8.889 1.00 0.00 N ATOM 0 H GLN B 63 2.967 1.392 4.810 1.00 0.00 H new ATOM 0 HA GLN B 63 1.492 3.806 5.296 1.00 0.00 H new ATOM 0 HB2 GLN B 63 1.360 1.168 6.083 1.00 0.00 H new ATOM 0 HB3 GLN B 63 1.997 1.942 7.520 1.00 0.00 H new ATOM 0 HG2 GLN B 63 -0.459 2.987 6.083 1.00 0.00 H new ATOM 0 HG3 GLN B 63 -0.557 1.736 7.306 1.00 0.00 H new ATOM 0 HE21 GLN B 63 1.817 3.034 8.764 1.00 0.00 H new ATOM 0 HE22 GLN B 63 1.067 4.365 9.651 1.00 0.00 H new ATOM 977 N ALA B 64 4.441 3.301 6.646 1.00 0.00 N ATOM 978 CA ALA B 64 5.558 3.911 7.359 1.00 0.00 C ATOM 979 C ALA B 64 5.858 5.280 6.773 1.00 0.00 C ATOM 980 O ALA B 64 5.854 6.288 7.475 1.00 0.00 O ATOM 981 CB ALA B 64 6.792 3.028 7.251 1.00 0.00 C ATOM 0 H ALA B 64 4.662 2.398 6.227 1.00 0.00 H new ATOM 0 HA ALA B 64 5.288 4.019 8.409 1.00 0.00 H new ATOM 0 HB1 ALA B 64 7.620 3.493 7.787 1.00 0.00 H new ATOM 0 HB2 ALA B 64 6.580 2.052 7.687 1.00 0.00 H new ATOM 0 HB3 ALA B 64 7.061 2.906 6.202 1.00 0.00 H new ATOM 987 N ALA B 65 6.096 5.296 5.466 1.00 0.00 N ATOM 988 CA ALA B 65 6.372 6.527 4.747 1.00 0.00 C ATOM 989 C ALA B 65 5.175 7.454 4.845 1.00 0.00 C ATOM 990 O ALA B 65 5.322 8.662 5.041 1.00 0.00 O ATOM 991 CB ALA B 65 6.700 6.226 3.293 1.00 0.00 C ATOM 0 H ALA B 65 6.102 4.460 4.881 1.00 0.00 H new ATOM 0 HA ALA B 65 7.235 7.019 5.195 1.00 0.00 H new ATOM 0 HB1 ALA B 65 6.905 7.158 2.766 1.00 0.00 H new ATOM 0 HB2 ALA B 65 7.577 5.581 3.244 1.00 0.00 H new ATOM 0 HB3 ALA B 65 5.853 5.723 2.826 1.00 0.00 H new ATOM 997 N PHE B 66 3.988 6.864 4.724 1.00 0.00 N ATOM 998 CA PHE B 66 2.736 7.608 4.809 1.00 0.00 C ATOM 999 C PHE B 66 2.647 8.405 6.097 1.00 0.00 C ATOM 1000 O PHE B 66 1.992 9.428 6.133 1.00 0.00 O ATOM 1001 CB PHE B 66 1.530 6.668 4.770 1.00 0.00 C ATOM 1002 CG PHE B 66 0.721 6.725 3.512 1.00 0.00 C ATOM 1003 CD1 PHE B 66 0.397 7.933 2.907 1.00 0.00 C ATOM 1004 CD2 PHE B 66 0.254 5.552 2.946 1.00 0.00 C ATOM 1005 CE1 PHE B 66 -0.371 7.960 1.758 1.00 0.00 C ATOM 1006 CE2 PHE B 66 -0.510 5.574 1.802 1.00 0.00 C ATOM 1007 CZ PHE B 66 -0.825 6.778 1.206 1.00 0.00 C ATOM 0 H PHE B 66 3.868 5.864 4.565 1.00 0.00 H new ATOM 0 HA PHE B 66 2.724 8.280 3.951 1.00 0.00 H new ATOM 0 HB2 PHE B 66 1.881 5.646 4.912 1.00 0.00 H new ATOM 0 HB3 PHE B 66 0.879 6.902 5.613 1.00 0.00 H new ATOM 0 HD1 PHE B 66 0.748 8.859 3.338 1.00 0.00 H new ATOM 0 HD2 PHE B 66 0.493 4.606 3.409 1.00 0.00 H new ATOM 0 HE1 PHE B 66 -0.616 8.903 1.293 1.00 0.00 H new ATOM 0 HE2 PHE B 66 -0.863 4.649 1.371 1.00 0.00 H new ATOM 0 HZ PHE B 66 -1.426 6.796 0.309 1.00 0.00 H new ATOM 1017 N SER B 67 3.292 7.924 7.157 1.00 0.00 N ATOM 1018 CA SER B 67 3.263 8.603 8.452 1.00 0.00 C ATOM 1019 C SER B 67 3.614 10.086 8.305 1.00 0.00 C ATOM 1020 O SER B 67 3.160 10.925 9.084 1.00 0.00 O ATOM 1021 CB SER B 67 4.220 7.909 9.423 1.00 0.00 C ATOM 1022 OG SER B 67 4.108 8.437 10.733 1.00 0.00 O ATOM 0 H SER B 67 3.842 7.065 7.145 1.00 0.00 H new ATOM 0 HA SER B 67 2.251 8.544 8.853 1.00 0.00 H new ATOM 0 HB2 SER B 67 4.008 6.840 9.442 1.00 0.00 H new ATOM 0 HB3 SER B 67 5.245 8.025 9.070 1.00 0.00 H new ATOM 0 HG SER B 67 4.732 7.971 11.328 1.00 0.00 H new ATOM 1028 N GLN B 68 4.400 10.401 7.284 1.00 0.00 N ATOM 1029 CA GLN B 68 4.789 11.774 7.013 1.00 0.00 C ATOM 1030 C GLN B 68 3.865 12.407 5.976 1.00 0.00 C ATOM 1031 O GLN B 68 3.476 13.563 6.103 1.00 0.00 O ATOM 1032 CB GLN B 68 6.234 11.815 6.496 1.00 0.00 C ATOM 1033 CG GLN B 68 7.235 11.108 7.400 1.00 0.00 C ATOM 1034 CD GLN B 68 7.566 11.892 8.653 1.00 0.00 C ATOM 1035 OE1 GLN B 68 7.218 13.168 8.666 1.00 0.00 O flip ATOM 1036 NE2 GLN B 68 8.158 11.359 9.594 1.00 0.00 N flip ATOM 0 H GLN B 68 4.781 9.719 6.628 1.00 0.00 H new ATOM 0 HA GLN B 68 4.713 12.338 7.942 1.00 0.00 H new ATOM 0 HB2 GLN B 68 6.268 11.359 5.507 1.00 0.00 H new ATOM 0 HB3 GLN B 68 6.538 12.855 6.378 1.00 0.00 H new ATOM 0 HG2 GLN B 68 6.834 10.135 7.684 1.00 0.00 H new ATOM 0 HG3 GLN B 68 8.153 10.924 6.841 1.00 0.00 H new ATOM 0 HE21 GLN B 68 8.409 10.372 9.545 1.00 0.00 H new ATOM 0 HE22 GLN B 68 8.397 11.905 10.421 1.00 0.00 H new ATOM 1045 N TYR B 69 3.543 11.644 4.938 1.00 0.00 N ATOM 1046 CA TYR B 69 2.698 12.131 3.845 1.00 0.00 C ATOM 1047 C TYR B 69 1.222 12.245 4.222 1.00 0.00 C ATOM 1048 O TYR B 69 0.466 12.952 3.558 1.00 0.00 O ATOM 1049 CB TYR B 69 2.848 11.213 2.647 1.00 0.00 C ATOM 1050 CG TYR B 69 4.296 10.946 2.341 1.00 0.00 C ATOM 1051 CD1 TYR B 69 5.204 11.990 2.182 1.00 0.00 C ATOM 1052 CD2 TYR B 69 4.768 9.652 2.284 1.00 0.00 C ATOM 1053 CE1 TYR B 69 6.533 11.737 1.962 1.00 0.00 C ATOM 1054 CE2 TYR B 69 6.099 9.389 2.077 1.00 0.00 C ATOM 1055 CZ TYR B 69 6.983 10.434 1.917 1.00 0.00 C ATOM 1056 OH TYR B 69 8.317 10.180 1.715 1.00 0.00 O ATOM 0 H TYR B 69 3.855 10.679 4.827 1.00 0.00 H new ATOM 0 HA TYR B 69 3.037 13.139 3.608 1.00 0.00 H new ATOM 0 HB2 TYR B 69 2.336 10.271 2.842 1.00 0.00 H new ATOM 0 HB3 TYR B 69 2.368 11.664 1.778 1.00 0.00 H new ATOM 0 HD1 TYR B 69 4.857 13.011 2.233 1.00 0.00 H new ATOM 0 HD2 TYR B 69 4.078 8.830 2.404 1.00 0.00 H new ATOM 0 HE1 TYR B 69 7.225 12.555 1.824 1.00 0.00 H new ATOM 0 HE2 TYR B 69 6.452 8.369 2.040 1.00 0.00 H new ATOM 0 HH TYR B 69 8.654 10.755 0.996 1.00 0.00 H new ATOM 1066 N LYS B 70 0.811 11.554 5.274 1.00 0.00 N ATOM 1067 CA LYS B 70 -0.587 11.601 5.708 1.00 0.00 C ATOM 1068 C LYS B 70 -0.912 12.953 6.319 1.00 0.00 C ATOM 1069 O LYS B 70 -2.056 13.406 6.280 1.00 0.00 O ATOM 1070 CB LYS B 70 -0.917 10.479 6.701 1.00 0.00 C ATOM 1071 CG LYS B 70 -0.994 9.102 6.061 1.00 0.00 C ATOM 1072 CD LYS B 70 -1.589 8.065 7.004 1.00 0.00 C ATOM 1073 CE LYS B 70 -0.741 7.875 8.252 1.00 0.00 C ATOM 1074 NZ LYS B 70 -1.373 6.933 9.214 1.00 0.00 N ATOM 0 H LYS B 70 1.414 10.958 5.841 1.00 0.00 H new ATOM 0 HA LYS B 70 -1.205 11.452 4.822 1.00 0.00 H new ATOM 0 HB2 LYS B 70 -0.159 10.464 7.484 1.00 0.00 H new ATOM 0 HB3 LYS B 70 -1.869 10.700 7.183 1.00 0.00 H new ATOM 0 HG2 LYS B 70 -1.598 9.157 5.155 1.00 0.00 H new ATOM 0 HG3 LYS B 70 0.005 8.786 5.759 1.00 0.00 H new ATOM 0 HD2 LYS B 70 -2.594 8.372 7.292 1.00 0.00 H new ATOM 0 HD3 LYS B 70 -1.684 7.113 6.482 1.00 0.00 H new ATOM 0 HE2 LYS B 70 0.242 7.499 7.969 1.00 0.00 H new ATOM 0 HE3 LYS B 70 -0.587 8.839 8.736 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 -0.789 6.870 10.072 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 -2.322 7.278 9.465 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 -1.451 5.992 8.778 1.00 0.00 H new ATOM 1088 N LYS B 71 0.104 13.608 6.857 1.00 0.00 N ATOM 1089 CA LYS B 71 -0.070 14.921 7.443 1.00 0.00 C ATOM 1090 C LYS B 71 0.540 15.975 6.529 1.00 0.00 C ATOM 1091 O LYS B 71 1.028 17.010 6.974 1.00 0.00 O ATOM 1092 CB LYS B 71 0.514 14.971 8.864 1.00 0.00 C ATOM 1093 CG LYS B 71 1.919 14.405 9.001 1.00 0.00 C ATOM 1094 CD LYS B 71 2.976 15.474 8.792 1.00 0.00 C ATOM 1095 CE LYS B 71 4.375 14.907 8.915 1.00 0.00 C ATOM 1096 NZ LYS B 71 5.406 15.966 8.804 1.00 0.00 N ATOM 0 H LYS B 71 1.058 13.249 6.899 1.00 0.00 H new ATOM 0 HA LYS B 71 -1.134 15.136 7.538 1.00 0.00 H new ATOM 0 HB2 LYS B 71 0.521 16.007 9.201 1.00 0.00 H new ATOM 0 HB3 LYS B 71 -0.149 14.423 9.533 1.00 0.00 H new ATOM 0 HG2 LYS B 71 2.039 13.963 9.990 1.00 0.00 H new ATOM 0 HG3 LYS B 71 2.062 13.605 8.275 1.00 0.00 H new ATOM 0 HD2 LYS B 71 2.850 15.923 7.807 1.00 0.00 H new ATOM 0 HD3 LYS B 71 2.840 16.269 9.525 1.00 0.00 H new ATOM 0 HE2 LYS B 71 4.478 14.397 9.873 1.00 0.00 H new ATOM 0 HE3 LYS B 71 4.535 14.160 8.137 1.00 0.00 H new ATOM 0 HZ1 LYS B 71 6.344 15.528 8.705 1.00 0.00 H new ATOM 0 HZ2 LYS B 71 5.210 16.556 7.970 1.00 0.00 H new ATOM 0 HZ3 LYS B 71 5.389 16.558 9.659 1.00 0.00 H new ATOM 1110 N VAL B 72 0.487 15.683 5.236 1.00 0.00 N ATOM 1111 CA VAL B 72 1.011 16.573 4.213 1.00 0.00 C ATOM 1112 C VAL B 72 -0.083 17.492 3.675 1.00 0.00 C ATOM 1113 O VAL B 72 0.141 18.691 3.499 1.00 0.00 O ATOM 1114 CB VAL B 72 1.668 15.759 3.074 1.00 0.00 C ATOM 1115 CG1 VAL B 72 1.695 16.511 1.757 1.00 0.00 C ATOM 1116 CG2 VAL B 72 3.072 15.350 3.471 1.00 0.00 C ATOM 0 H VAL B 72 0.080 14.823 4.869 1.00 0.00 H new ATOM 0 HA VAL B 72 1.777 17.203 4.665 1.00 0.00 H new ATOM 0 HB VAL B 72 1.055 14.871 2.920 1.00 0.00 H new ATOM 0 HG11 VAL B 72 2.167 15.892 0.994 1.00 0.00 H new ATOM 0 HG12 VAL B 72 0.676 16.748 1.452 1.00 0.00 H new ATOM 0 HG13 VAL B 72 2.262 17.434 1.877 1.00 0.00 H new ATOM 0 HG21 VAL B 72 3.526 14.777 2.663 1.00 0.00 H new ATOM 0 HG22 VAL B 72 3.669 16.241 3.665 1.00 0.00 H new ATOM 0 HG23 VAL B 72 3.032 14.737 4.372 1.00 0.00 H new ATOM 1126 N GLU B 73 -1.278 16.957 3.435 1.00 0.00 N ATOM 1127 CA GLU B 73 -2.358 17.799 2.950 1.00 0.00 C ATOM 1128 C GLU B 73 -3.241 18.242 4.083 1.00 0.00 C ATOM 1129 O GLU B 73 -4.102 17.506 4.573 1.00 0.00 O ATOM 1130 CB GLU B 73 -3.210 17.139 1.895 1.00 0.00 C ATOM 1131 CG GLU B 73 -4.247 18.086 1.311 1.00 0.00 C ATOM 1132 CD GLU B 73 -5.169 17.434 0.317 1.00 0.00 C ATOM 1133 OE1 GLU B 73 -5.858 16.461 0.682 1.00 0.00 O ATOM 1134 OE2 GLU B 73 -5.228 17.919 -0.826 1.00 0.00 O ATOM 0 H GLU B 73 -1.515 15.973 3.565 1.00 0.00 H new ATOM 0 HA GLU B 73 -1.872 18.658 2.488 1.00 0.00 H new ATOM 0 HB2 GLU B 73 -2.570 16.768 1.095 1.00 0.00 H new ATOM 0 HB3 GLU B 73 -3.714 16.275 2.327 1.00 0.00 H new ATOM 0 HG2 GLU B 73 -4.841 18.506 2.123 1.00 0.00 H new ATOM 0 HG3 GLU B 73 -3.735 18.918 0.827 1.00 0.00 H new ATOM 1141 N LEU B 74 -2.988 19.454 4.469 1.00 0.00 N ATOM 1142 CA LEU B 74 -3.694 20.130 5.537 1.00 0.00 C ATOM 1143 C LEU B 74 -3.264 21.592 5.596 1.00 0.00 C ATOM 1144 O LEU B 74 -4.056 22.464 5.948 1.00 0.00 O ATOM 1145 CB LEU B 74 -3.521 19.411 6.890 1.00 0.00 C ATOM 1146 CG LEU B 74 -2.105 19.171 7.455 1.00 0.00 C ATOM 1147 CD1 LEU B 74 -2.042 17.798 8.082 1.00 0.00 C ATOM 1148 CD2 LEU B 74 -0.968 19.339 6.474 1.00 0.00 C ATOM 0 H LEU B 74 -2.261 20.028 4.041 1.00 0.00 H new ATOM 0 HA LEU B 74 -4.762 20.099 5.321 1.00 0.00 H new ATOM 0 HB2 LEU B 74 -4.076 19.982 7.635 1.00 0.00 H new ATOM 0 HB3 LEU B 74 -4.007 18.439 6.806 1.00 0.00 H new ATOM 0 HG LEU B 74 -1.954 19.960 8.192 1.00 0.00 H new ATOM 0 HD11 LEU B 74 -1.043 17.626 8.482 1.00 0.00 H new ATOM 0 HD12 LEU B 74 -2.772 17.733 8.889 1.00 0.00 H new ATOM 0 HD13 LEU B 74 -2.266 17.043 7.328 1.00 0.00 H new ATOM 0 HD21 LEU B 74 -0.021 19.147 6.978 1.00 0.00 H new ATOM 0 HD22 LEU B 74 -1.090 18.635 5.651 1.00 0.00 H new ATOM 0 HD23 LEU B 74 -0.971 20.357 6.084 1.00 0.00 H new ATOM 1297 N VAL C 85 -7.382 -22.367 -2.895 1.00 0.00 N ATOM 1298 CA VAL C 85 -6.007 -21.886 -2.807 1.00 0.00 C ATOM 1299 C VAL C 85 -5.575 -21.274 -4.145 1.00 0.00 C ATOM 1300 O VAL C 85 -4.868 -20.275 -4.176 1.00 0.00 O ATOM 1301 CB VAL C 85 -5.043 -23.028 -2.413 1.00 0.00 C ATOM 1302 CG1 VAL C 85 -3.602 -22.550 -2.350 1.00 0.00 C ATOM 1303 CG2 VAL C 85 -5.455 -23.634 -1.083 1.00 0.00 C ATOM 0 HA VAL C 85 -5.965 -21.121 -2.032 1.00 0.00 H new ATOM 0 HB VAL C 85 -5.105 -23.793 -3.187 1.00 0.00 H new ATOM 0 HG11 VAL C 85 -2.955 -23.381 -2.070 1.00 0.00 H new ATOM 0 HG12 VAL C 85 -3.302 -22.169 -3.326 1.00 0.00 H new ATOM 0 HG13 VAL C 85 -3.514 -21.756 -1.608 1.00 0.00 H new ATOM 0 HG21 VAL C 85 -4.766 -24.437 -0.820 1.00 0.00 H new ATOM 0 HG22 VAL C 85 -5.430 -22.866 -0.310 1.00 0.00 H new ATOM 0 HG23 VAL C 85 -6.465 -24.035 -1.163 1.00 0.00 H new ATOM 1313 N ALA C 86 -6.033 -21.859 -5.249 1.00 0.00 N ATOM 1314 CA ALA C 86 -5.702 -21.327 -6.567 1.00 0.00 C ATOM 1315 C ALA C 86 -6.444 -20.019 -6.788 1.00 0.00 C ATOM 1316 O ALA C 86 -5.916 -19.081 -7.378 1.00 0.00 O ATOM 1317 CB ALA C 86 -6.015 -22.329 -7.659 1.00 0.00 C ATOM 0 H ALA C 86 -6.626 -22.689 -5.258 1.00 0.00 H new ATOM 0 HA ALA C 86 -4.630 -21.135 -6.610 1.00 0.00 H new ATOM 0 HB1 ALA C 86 -5.757 -21.903 -8.629 1.00 0.00 H new ATOM 0 HB2 ALA C 86 -5.435 -23.237 -7.496 1.00 0.00 H new ATOM 0 HB3 ALA C 86 -7.078 -22.569 -7.639 1.00 0.00 H new ATOM 1323 N SER C 87 -7.653 -19.942 -6.248 1.00 0.00 N ATOM 1324 CA SER C 87 -8.449 -18.727 -6.323 1.00 0.00 C ATOM 1325 C SER C 87 -7.790 -17.669 -5.450 1.00 0.00 C ATOM 1326 O SER C 87 -7.986 -16.460 -5.617 1.00 0.00 O ATOM 1327 CB SER C 87 -9.873 -19.005 -5.843 1.00 0.00 C ATOM 1328 OG SER C 87 -10.482 -20.027 -6.621 1.00 0.00 O ATOM 0 H SER C 87 -8.104 -20.710 -5.752 1.00 0.00 H new ATOM 0 HA SER C 87 -8.502 -18.374 -7.353 1.00 0.00 H new ATOM 0 HB2 SER C 87 -9.856 -19.303 -4.795 1.00 0.00 H new ATOM 0 HB3 SER C 87 -10.466 -18.093 -5.906 1.00 0.00 H new ATOM 0 HG SER C 87 -11.392 -20.189 -6.294 1.00 0.00 H new ATOM 1334 N LEU C 88 -6.977 -18.153 -4.530 1.00 0.00 N ATOM 1335 CA LEU C 88 -6.249 -17.297 -3.634 1.00 0.00 C ATOM 1336 C LEU C 88 -5.099 -16.635 -4.369 1.00 0.00 C ATOM 1337 O LEU C 88 -4.746 -15.518 -4.052 1.00 0.00 O ATOM 1338 CB LEU C 88 -5.729 -18.106 -2.441 1.00 0.00 C ATOM 1339 CG LEU C 88 -5.044 -17.301 -1.346 1.00 0.00 C ATOM 1340 CD1 LEU C 88 -6.073 -16.476 -0.595 1.00 0.00 C ATOM 1341 CD2 LEU C 88 -4.301 -18.228 -0.393 1.00 0.00 C ATOM 0 H LEU C 88 -6.808 -19.149 -4.389 1.00 0.00 H new ATOM 0 HA LEU C 88 -6.917 -16.520 -3.262 1.00 0.00 H new ATOM 0 HB2 LEU C 88 -6.566 -18.646 -1.999 1.00 0.00 H new ATOM 0 HB3 LEU C 88 -5.027 -18.853 -2.811 1.00 0.00 H new ATOM 0 HG LEU C 88 -4.318 -16.627 -1.801 1.00 0.00 H new ATOM 0 HD11 LEU C 88 -5.578 -15.902 0.188 1.00 0.00 H new ATOM 0 HD12 LEU C 88 -6.568 -15.795 -1.287 1.00 0.00 H new ATOM 0 HD13 LEU C 88 -6.813 -17.138 -0.146 1.00 0.00 H new ATOM 0 HD21 LEU C 88 -3.816 -17.638 0.385 1.00 0.00 H new ATOM 0 HD22 LEU C 88 -5.007 -18.921 0.065 1.00 0.00 H new ATOM 0 HD23 LEU C 88 -3.547 -18.789 -0.945 1.00 0.00 H new ATOM 1353 N ARG C 89 -4.539 -17.335 -5.357 1.00 0.00 N ATOM 1354 CA ARG C 89 -3.424 -16.808 -6.159 1.00 0.00 C ATOM 1355 C ARG C 89 -3.871 -15.599 -6.963 1.00 0.00 C ATOM 1356 O ARG C 89 -3.140 -14.624 -7.088 1.00 0.00 O ATOM 1357 CB ARG C 89 -2.899 -17.868 -7.135 1.00 0.00 C ATOM 1358 CG ARG C 89 -2.882 -19.290 -6.596 1.00 0.00 C ATOM 1359 CD ARG C 89 -1.985 -19.424 -5.383 1.00 0.00 C ATOM 1360 NE ARG C 89 -0.655 -18.865 -5.623 1.00 0.00 N ATOM 1361 CZ ARG C 89 0.260 -19.425 -6.416 1.00 0.00 C ATOM 1362 NH1 ARG C 89 0.012 -20.592 -7.007 1.00 0.00 N ATOM 1363 NH2 ARG C 89 1.413 -18.809 -6.622 1.00 0.00 N ATOM 0 H ARG C 89 -4.838 -18.273 -5.625 1.00 0.00 H new ATOM 0 HA ARG C 89 -2.632 -16.525 -5.466 1.00 0.00 H new ATOM 0 HB2 ARG C 89 -3.512 -17.845 -8.036 1.00 0.00 H new ATOM 0 HB3 ARG C 89 -1.886 -17.596 -7.432 1.00 0.00 H new ATOM 0 HG2 ARG C 89 -3.896 -19.590 -6.332 1.00 0.00 H new ATOM 0 HG3 ARG C 89 -2.541 -19.970 -7.377 1.00 0.00 H new ATOM 0 HD2 ARG C 89 -2.444 -18.917 -4.534 1.00 0.00 H new ATOM 0 HD3 ARG C 89 -1.893 -20.476 -5.114 1.00 0.00 H new ATOM 0 HE ARG C 89 -0.412 -17.992 -5.155 1.00 0.00 H new ATOM 0 HH11 ARG C 89 -0.881 -21.062 -6.854 1.00 0.00 H new ATOM 0 HH12 ARG C 89 0.715 -21.016 -7.613 1.00 0.00 H new ATOM 0 HH21 ARG C 89 1.598 -17.911 -6.175 1.00 0.00 H new ATOM 0 HH22 ARG C 89 2.116 -19.232 -7.227 1.00 0.00 H new ATOM 1377 N GLN C 90 -5.075 -15.668 -7.503 1.00 0.00 N ATOM 1378 CA GLN C 90 -5.611 -14.563 -8.280 1.00 0.00 C ATOM 1379 C GLN C 90 -5.869 -13.373 -7.367 1.00 0.00 C ATOM 1380 O GLN C 90 -5.561 -12.233 -7.714 1.00 0.00 O ATOM 1381 CB GLN C 90 -6.890 -14.984 -9.002 1.00 0.00 C ATOM 1382 CG GLN C 90 -7.504 -16.260 -8.467 1.00 0.00 C ATOM 1383 CD GLN C 90 -8.885 -16.511 -9.030 1.00 0.00 C ATOM 1384 OE1 GLN C 90 -9.035 -16.805 -10.213 1.00 0.00 O ATOM 1385 NE2 GLN C 90 -9.898 -16.376 -8.195 1.00 0.00 N ATOM 0 H GLN C 90 -5.697 -16.472 -7.419 1.00 0.00 H new ATOM 0 HA GLN C 90 -4.882 -14.273 -9.037 1.00 0.00 H new ATOM 0 HB2 GLN C 90 -7.621 -14.180 -8.924 1.00 0.00 H new ATOM 0 HB3 GLN C 90 -6.671 -15.114 -10.062 1.00 0.00 H new ATOM 0 HG2 GLN C 90 -6.856 -17.102 -8.710 1.00 0.00 H new ATOM 0 HG3 GLN C 90 -7.561 -16.205 -7.380 1.00 0.00 H new ATOM 0 HE21 GLN C 90 -9.726 -16.131 -7.220 1.00 0.00 H new ATOM 0 HE22 GLN C 90 -10.853 -16.517 -8.525 1.00 0.00 H new ATOM 1394 N GLN C 91 -6.417 -13.657 -6.187 1.00 0.00 N ATOM 1395 CA GLN C 91 -6.698 -12.614 -5.205 1.00 0.00 C ATOM 1396 C GLN C 91 -5.398 -11.959 -4.706 1.00 0.00 C ATOM 1397 O GLN C 91 -5.365 -10.748 -4.486 1.00 0.00 O ATOM 1398 CB GLN C 91 -7.496 -13.204 -4.034 1.00 0.00 C ATOM 1399 CG GLN C 91 -7.907 -12.192 -2.974 1.00 0.00 C ATOM 1400 CD GLN C 91 -8.686 -12.819 -1.829 1.00 0.00 C ATOM 1401 OE1 GLN C 91 -9.004 -14.098 -1.956 1.00 0.00 O flip ATOM 1402 NE2 GLN C 91 -8.998 -12.161 -0.841 1.00 0.00 N flip ATOM 0 H GLN C 91 -6.674 -14.598 -5.889 1.00 0.00 H new ATOM 0 HA GLN C 91 -7.295 -11.837 -5.683 1.00 0.00 H new ATOM 0 HB2 GLN C 91 -8.393 -13.683 -4.427 1.00 0.00 H new ATOM 0 HB3 GLN C 91 -6.899 -13.984 -3.561 1.00 0.00 H new ATOM 0 HG2 GLN C 91 -7.015 -11.706 -2.577 1.00 0.00 H new ATOM 0 HG3 GLN C 91 -8.514 -11.414 -3.437 1.00 0.00 H new ATOM 0 HE21 GLN C 91 -8.735 -11.177 -0.779 1.00 0.00 H new ATOM 0 HE22 GLN C 91 -9.520 -12.598 -0.082 1.00 0.00 H new ATOM 1411 N VAL C 92 -4.320 -12.745 -4.541 1.00 0.00 N ATOM 1412 CA VAL C 92 -3.050 -12.174 -4.089 1.00 0.00 C ATOM 1413 C VAL C 92 -2.433 -11.329 -5.173 1.00 0.00 C ATOM 1414 O VAL C 92 -1.853 -10.289 -4.898 1.00 0.00 O ATOM 1415 CB VAL C 92 -1.944 -13.186 -3.670 1.00 0.00 C ATOM 1416 CG1 VAL C 92 -1.764 -13.254 -2.172 1.00 0.00 C ATOM 1417 CG2 VAL C 92 -2.094 -14.549 -4.285 1.00 0.00 C ATOM 0 H VAL C 92 -4.305 -13.751 -4.710 1.00 0.00 H new ATOM 0 HA VAL C 92 -3.345 -11.614 -3.202 1.00 0.00 H new ATOM 0 HB VAL C 92 -1.022 -12.783 -4.088 1.00 0.00 H new ATOM 0 HG11 VAL C 92 -0.982 -13.974 -1.932 1.00 0.00 H new ATOM 0 HG12 VAL C 92 -1.481 -12.271 -1.795 1.00 0.00 H new ATOM 0 HG13 VAL C 92 -2.699 -13.566 -1.707 1.00 0.00 H new ATOM 0 HG21 VAL C 92 -1.285 -15.194 -3.943 1.00 0.00 H new ATOM 0 HG22 VAL C 92 -3.051 -14.979 -3.988 1.00 0.00 H new ATOM 0 HG23 VAL C 92 -2.056 -14.464 -5.371 1.00 0.00 H new ATOM 1427 N GLU C 93 -2.552 -11.795 -6.405 1.00 0.00 N ATOM 1428 CA GLU C 93 -2.005 -11.089 -7.545 1.00 0.00 C ATOM 1429 C GLU C 93 -2.690 -9.732 -7.662 1.00 0.00 C ATOM 1430 O GLU C 93 -2.093 -8.740 -8.090 1.00 0.00 O ATOM 1431 CB GLU C 93 -2.206 -11.925 -8.815 1.00 0.00 C ATOM 1432 CG GLU C 93 -1.526 -11.369 -10.050 1.00 0.00 C ATOM 1433 CD GLU C 93 -1.674 -12.281 -11.245 1.00 0.00 C ATOM 1434 OE1 GLU C 93 -1.165 -13.419 -11.191 1.00 0.00 O ATOM 1435 OE2 GLU C 93 -2.316 -11.874 -12.231 1.00 0.00 O ATOM 0 H GLU C 93 -3.027 -12.667 -6.639 1.00 0.00 H new ATOM 0 HA GLU C 93 -0.935 -10.930 -7.414 1.00 0.00 H new ATOM 0 HB2 GLU C 93 -1.833 -12.933 -8.634 1.00 0.00 H new ATOM 0 HB3 GLU C 93 -3.275 -12.011 -9.012 1.00 0.00 H new ATOM 0 HG2 GLU C 93 -1.949 -10.392 -10.286 1.00 0.00 H new ATOM 0 HG3 GLU C 93 -0.467 -11.216 -9.841 1.00 0.00 H new ATOM 1442 N ALA C 94 -3.948 -9.709 -7.238 1.00 0.00 N ATOM 1443 CA ALA C 94 -4.759 -8.504 -7.238 1.00 0.00 C ATOM 1444 C ALA C 94 -4.223 -7.493 -6.238 1.00 0.00 C ATOM 1445 O ALA C 94 -3.895 -6.356 -6.591 1.00 0.00 O ATOM 1446 CB ALA C 94 -6.176 -8.868 -6.857 1.00 0.00 C ATOM 0 H ALA C 94 -4.434 -10.532 -6.883 1.00 0.00 H new ATOM 0 HA ALA C 94 -4.730 -8.061 -8.233 1.00 0.00 H new ATOM 0 HB1 ALA C 94 -6.794 -7.970 -6.854 1.00 0.00 H new ATOM 0 HB2 ALA C 94 -6.575 -9.581 -7.579 1.00 0.00 H new ATOM 0 HB3 ALA C 94 -6.182 -9.316 -5.863 1.00 0.00 H new ATOM 1452 N LEU C 95 -4.144 -7.925 -4.984 1.00 0.00 N ATOM 1453 CA LEU C 95 -3.655 -7.088 -3.899 1.00 0.00 C ATOM 1454 C LEU C 95 -2.241 -6.603 -4.201 1.00 0.00 C ATOM 1455 O LEU C 95 -1.866 -5.480 -3.864 1.00 0.00 O ATOM 1456 CB LEU C 95 -3.678 -7.882 -2.594 1.00 0.00 C ATOM 1457 CG LEU C 95 -3.448 -7.066 -1.319 1.00 0.00 C ATOM 1458 CD1 LEU C 95 -4.558 -6.045 -1.131 1.00 0.00 C ATOM 1459 CD2 LEU C 95 -3.355 -7.982 -0.110 1.00 0.00 C ATOM 0 H LEU C 95 -4.417 -8.864 -4.693 1.00 0.00 H new ATOM 0 HA LEU C 95 -4.301 -6.216 -3.799 1.00 0.00 H new ATOM 0 HB2 LEU C 95 -4.641 -8.385 -2.513 1.00 0.00 H new ATOM 0 HB3 LEU C 95 -2.916 -8.659 -2.649 1.00 0.00 H new ATOM 0 HG LEU C 95 -2.503 -6.531 -1.419 1.00 0.00 H new ATOM 0 HD11 LEU C 95 -4.377 -5.475 -0.220 1.00 0.00 H new ATOM 0 HD12 LEU C 95 -4.578 -5.368 -1.985 1.00 0.00 H new ATOM 0 HD13 LEU C 95 -5.516 -6.559 -1.053 1.00 0.00 H new ATOM 0 HD21 LEU C 95 -3.191 -7.385 0.787 1.00 0.00 H new ATOM 0 HD22 LEU C 95 -4.283 -8.544 -0.007 1.00 0.00 H new ATOM 0 HD23 LEU C 95 -2.524 -8.675 -0.241 1.00 0.00 H new ATOM 1471 N GLN C 96 -1.473 -7.459 -4.858 1.00 0.00 N ATOM 1472 CA GLN C 96 -0.102 -7.145 -5.240 1.00 0.00 C ATOM 1473 C GLN C 96 -0.078 -6.011 -6.250 1.00 0.00 C ATOM 1474 O GLN C 96 0.712 -5.083 -6.122 1.00 0.00 O ATOM 1475 CB GLN C 96 0.584 -8.388 -5.814 1.00 0.00 C ATOM 1476 CG GLN C 96 1.805 -8.080 -6.662 1.00 0.00 C ATOM 1477 CD GLN C 96 2.631 -9.309 -6.977 1.00 0.00 C ATOM 1478 OE1 GLN C 96 2.160 -10.231 -7.645 1.00 0.00 O ATOM 1479 NE2 GLN C 96 3.869 -9.334 -6.495 1.00 0.00 N ATOM 0 H GLN C 96 -1.781 -8.389 -5.141 1.00 0.00 H new ATOM 0 HA GLN C 96 0.443 -6.825 -4.352 1.00 0.00 H new ATOM 0 HB2 GLN C 96 0.880 -9.040 -4.992 1.00 0.00 H new ATOM 0 HB3 GLN C 96 -0.135 -8.942 -6.417 1.00 0.00 H new ATOM 0 HG2 GLN C 96 1.485 -7.615 -7.595 1.00 0.00 H new ATOM 0 HG3 GLN C 96 2.429 -7.353 -6.141 1.00 0.00 H new ATOM 0 HE21 GLN C 96 4.219 -8.548 -5.946 1.00 0.00 H new ATOM 0 HE22 GLN C 96 4.470 -10.139 -6.674 1.00 0.00 H new ATOM 1488 N GLY C 97 -0.958 -6.091 -7.237 1.00 0.00 N ATOM 1489 CA GLY C 97 -1.045 -5.054 -8.250 1.00 0.00 C ATOM 1490 C GLY C 97 -1.381 -3.705 -7.642 1.00 0.00 C ATOM 1491 O GLY C 97 -0.945 -2.652 -8.126 1.00 0.00 O ATOM 0 H GLY C 97 -1.618 -6.859 -7.357 1.00 0.00 H new ATOM 0 HA2 GLY C 97 -0.098 -4.987 -8.785 1.00 0.00 H new ATOM 0 HA3 GLY C 97 -1.806 -5.323 -8.982 1.00 0.00 H new ATOM 1495 N GLN C 98 -2.140 -3.732 -6.558 1.00 0.00 N ATOM 1496 CA GLN C 98 -2.517 -2.508 -5.874 1.00 0.00 C ATOM 1497 C GLN C 98 -1.324 -1.921 -5.134 1.00 0.00 C ATOM 1498 O GLN C 98 -1.094 -0.723 -5.173 1.00 0.00 O ATOM 1499 CB GLN C 98 -3.662 -2.766 -4.896 1.00 0.00 C ATOM 1500 CG GLN C 98 -4.881 -3.393 -5.545 1.00 0.00 C ATOM 1501 CD GLN C 98 -6.016 -3.627 -4.566 1.00 0.00 C ATOM 1502 OE1 GLN C 98 -5.891 -4.416 -3.628 1.00 0.00 O ATOM 1503 NE2 GLN C 98 -7.132 -2.941 -4.774 1.00 0.00 N ATOM 0 H GLN C 98 -2.505 -4.585 -6.135 1.00 0.00 H new ATOM 0 HA GLN C 98 -2.854 -1.792 -6.624 1.00 0.00 H new ATOM 0 HB2 GLN C 98 -3.308 -3.419 -4.099 1.00 0.00 H new ATOM 0 HB3 GLN C 98 -3.952 -1.824 -4.431 1.00 0.00 H new ATOM 0 HG2 GLN C 98 -5.230 -2.747 -6.351 1.00 0.00 H new ATOM 0 HG3 GLN C 98 -4.597 -4.343 -5.998 1.00 0.00 H new ATOM 0 HE21 GLN C 98 -7.195 -2.297 -5.563 1.00 0.00 H new ATOM 0 HE22 GLN C 98 -7.927 -3.057 -4.145 1.00 0.00 H new ATOM 1512 N VAL C 99 -0.574 -2.759 -4.462 1.00 0.00 N ATOM 1513 CA VAL C 99 0.580 -2.291 -3.718 1.00 0.00 C ATOM 1514 C VAL C 99 1.686 -1.775 -4.638 1.00 0.00 C ATOM 1515 O VAL C 99 2.323 -0.762 -4.339 1.00 0.00 O ATOM 1516 CB VAL C 99 1.129 -3.415 -2.819 1.00 0.00 C ATOM 1517 CG1 VAL C 99 2.325 -2.950 -2.007 1.00 0.00 C ATOM 1518 CG2 VAL C 99 0.035 -3.944 -1.906 1.00 0.00 C ATOM 0 H VAL C 99 -0.737 -3.765 -4.412 1.00 0.00 H new ATOM 0 HA VAL C 99 0.248 -1.458 -3.099 1.00 0.00 H new ATOM 0 HB VAL C 99 1.468 -4.223 -3.467 1.00 0.00 H new ATOM 0 HG11 VAL C 99 2.684 -3.770 -1.386 1.00 0.00 H new ATOM 0 HG12 VAL C 99 3.120 -2.630 -2.681 1.00 0.00 H new ATOM 0 HG13 VAL C 99 2.031 -2.115 -1.371 1.00 0.00 H new ATOM 0 HG21 VAL C 99 0.438 -4.738 -1.277 1.00 0.00 H new ATOM 0 HG22 VAL C 99 -0.336 -3.135 -1.277 1.00 0.00 H new ATOM 0 HG23 VAL C 99 -0.783 -4.339 -2.509 1.00 0.00 H new ATOM 1528 N GLN C 100 1.911 -2.463 -5.750 1.00 0.00 N ATOM 1529 CA GLN C 100 2.945 -2.058 -6.696 1.00 0.00 C ATOM 1530 C GLN C 100 2.643 -0.688 -7.285 1.00 0.00 C ATOM 1531 O GLN C 100 3.545 0.143 -7.421 1.00 0.00 O ATOM 1532 CB GLN C 100 3.112 -3.084 -7.820 1.00 0.00 C ATOM 1533 CG GLN C 100 1.838 -3.374 -8.594 1.00 0.00 C ATOM 1534 CD GLN C 100 2.044 -4.349 -9.737 1.00 0.00 C ATOM 1535 OE1 GLN C 100 1.155 -4.548 -10.566 1.00 0.00 O ATOM 1536 NE2 GLN C 100 3.205 -4.987 -9.775 1.00 0.00 N ATOM 0 H GLN C 100 1.395 -3.300 -6.019 1.00 0.00 H new ATOM 0 HA GLN C 100 3.882 -2.002 -6.141 1.00 0.00 H new ATOM 0 HB2 GLN C 100 3.872 -2.725 -8.514 1.00 0.00 H new ATOM 0 HB3 GLN C 100 3.485 -4.015 -7.394 1.00 0.00 H new ATOM 0 HG2 GLN C 100 1.089 -3.777 -7.912 1.00 0.00 H new ATOM 0 HG3 GLN C 100 1.440 -2.440 -8.989 1.00 0.00 H new ATOM 0 HE21 GLN C 100 3.916 -4.794 -9.070 1.00 0.00 H new ATOM 0 HE22 GLN C 100 3.387 -5.671 -10.509 1.00 0.00 H new ATOM 1545 N HIS C 101 1.381 -0.435 -7.639 1.00 0.00 N ATOM 1546 CA HIS C 101 1.038 0.860 -8.209 1.00 0.00 C ATOM 1547 C HIS C 101 0.902 1.922 -7.114 1.00 0.00 C ATOM 1548 O HIS C 101 0.973 3.113 -7.400 1.00 0.00 O ATOM 1549 CB HIS C 101 -0.200 0.798 -9.110 1.00 0.00 C ATOM 1550 CG HIS C 101 -1.482 0.995 -8.405 1.00 0.00 C ATOM 1551 ND1 HIS C 101 -2.013 0.056 -7.590 1.00 0.00 N ATOM 1552 CD2 HIS C 101 -2.315 2.066 -8.354 1.00 0.00 C ATOM 1553 CE1 HIS C 101 -3.118 0.550 -7.063 1.00 0.00 C ATOM 1554 NE2 HIS C 101 -3.363 1.771 -7.492 1.00 0.00 N ATOM 0 H HIS C 101 0.605 -1.090 -7.544 1.00 0.00 H new ATOM 0 HA HIS C 101 1.864 1.155 -8.857 1.00 0.00 H new ATOM 0 HB2 HIS C 101 -0.107 1.557 -9.887 1.00 0.00 H new ATOM 0 HB3 HIS C 101 -0.221 -0.170 -9.611 1.00 0.00 H new ATOM 0 HD2 HIS C 101 -2.184 2.992 -8.894 1.00 0.00 H new ATOM 0 HE1 HIS C 101 -3.746 0.017 -6.364 1.00 0.00 H new ATOM 0 HE2 HIS C 101 -4.151 2.370 -7.245 1.00 0.00 H new ATOM 1562 N LEU C 102 0.751 1.494 -5.854 1.00 0.00 N ATOM 1563 CA LEU C 102 0.672 2.445 -4.749 1.00 0.00 C ATOM 1564 C LEU C 102 2.049 3.046 -4.540 1.00 0.00 C ATOM 1565 O LEU C 102 2.197 4.245 -4.327 1.00 0.00 O ATOM 1566 CB LEU C 102 0.192 1.800 -3.440 1.00 0.00 C ATOM 1567 CG LEU C 102 -1.300 1.478 -3.373 1.00 0.00 C ATOM 1568 CD1 LEU C 102 -1.731 1.249 -1.932 1.00 0.00 C ATOM 1569 CD2 LEU C 102 -2.114 2.586 -4.010 1.00 0.00 C ATOM 0 H LEU C 102 0.683 0.513 -5.582 1.00 0.00 H new ATOM 0 HA LEU C 102 -0.061 3.207 -5.012 1.00 0.00 H new ATOM 0 HB2 LEU C 102 0.752 0.878 -3.283 1.00 0.00 H new ATOM 0 HB3 LEU C 102 0.439 2.468 -2.615 1.00 0.00 H new ATOM 0 HG LEU C 102 -1.481 0.560 -3.933 1.00 0.00 H new ATOM 0 HD11 LEU C 102 -2.796 1.021 -1.903 1.00 0.00 H new ATOM 0 HD12 LEU C 102 -1.170 0.414 -1.513 1.00 0.00 H new ATOM 0 HD13 LEU C 102 -1.536 2.148 -1.347 1.00 0.00 H new ATOM 0 HD21 LEU C 102 -3.174 2.338 -3.952 1.00 0.00 H new ATOM 0 HD22 LEU C 102 -1.931 3.522 -3.482 1.00 0.00 H new ATOM 0 HD23 LEU C 102 -1.824 2.696 -5.055 1.00 0.00 H new ATOM 1581 N GLN C 103 3.062 2.193 -4.640 1.00 0.00 N ATOM 1582 CA GLN C 103 4.438 2.631 -4.503 1.00 0.00 C ATOM 1583 C GLN C 103 4.806 3.445 -5.741 1.00 0.00 C ATOM 1584 O GLN C 103 5.578 4.405 -5.672 1.00 0.00 O ATOM 1585 CB GLN C 103 5.365 1.419 -4.342 1.00 0.00 C ATOM 1586 CG GLN C 103 6.449 1.592 -3.276 1.00 0.00 C ATOM 1587 CD GLN C 103 7.599 2.483 -3.712 1.00 0.00 C ATOM 1588 OE1 GLN C 103 8.311 3.045 -2.880 1.00 0.00 O ATOM 1589 NE2 GLN C 103 7.806 2.590 -5.015 1.00 0.00 N ATOM 0 H GLN C 103 2.952 1.194 -4.816 1.00 0.00 H new ATOM 0 HA GLN C 103 4.553 3.251 -3.614 1.00 0.00 H new ATOM 0 HB2 GLN C 103 4.762 0.546 -4.092 1.00 0.00 H new ATOM 0 HB3 GLN C 103 5.843 1.212 -5.299 1.00 0.00 H new ATOM 0 HG2 GLN C 103 5.998 2.011 -2.377 1.00 0.00 H new ATOM 0 HG3 GLN C 103 6.842 0.611 -3.008 1.00 0.00 H new ATOM 0 HE21 GLN C 103 7.191 2.107 -5.670 1.00 0.00 H new ATOM 0 HE22 GLN C 103 8.580 3.155 -5.364 1.00 0.00 H new ATOM 1598 N ALA C 104 4.202 3.062 -6.870 1.00 0.00 N ATOM 1599 CA ALA C 104 4.401 3.748 -8.144 1.00 0.00 C ATOM 1600 C ALA C 104 4.025 5.210 -8.008 1.00 0.00 C ATOM 1601 O ALA C 104 4.824 6.101 -8.283 1.00 0.00 O ATOM 1602 CB ALA C 104 3.543 3.096 -9.221 1.00 0.00 C ATOM 0 H ALA C 104 3.563 2.269 -6.923 1.00 0.00 H new ATOM 0 HA ALA C 104 5.451 3.674 -8.427 1.00 0.00 H new ATOM 0 HB1 ALA C 104 3.695 3.612 -10.169 1.00 0.00 H new ATOM 0 HB2 ALA C 104 3.827 2.049 -9.328 1.00 0.00 H new ATOM 0 HB3 ALA C 104 2.492 3.160 -8.938 1.00 0.00 H new ATOM 1608 N ALA C 105 2.798 5.439 -7.554 1.00 0.00 N ATOM 1609 CA ALA C 105 2.300 6.784 -7.341 1.00 0.00 C ATOM 1610 C ALA C 105 3.143 7.477 -6.283 1.00 0.00 C ATOM 1611 O ALA C 105 3.477 8.656 -6.419 1.00 0.00 O ATOM 1612 CB ALA C 105 0.836 6.743 -6.927 1.00 0.00 C ATOM 0 H ALA C 105 2.130 4.703 -7.327 1.00 0.00 H new ATOM 0 HA ALA C 105 2.372 7.348 -8.271 1.00 0.00 H new ATOM 0 HB1 ALA C 105 0.474 7.759 -6.770 1.00 0.00 H new ATOM 0 HB2 ALA C 105 0.249 6.266 -7.712 1.00 0.00 H new ATOM 0 HB3 ALA C 105 0.735 6.175 -6.002 1.00 0.00 H new ATOM 1618 N PHE C 106 3.505 6.727 -5.237 1.00 0.00 N ATOM 1619 CA PHE C 106 4.332 7.264 -4.162 1.00 0.00 C ATOM 1620 C PHE C 106 5.618 7.854 -4.695 1.00 0.00 C ATOM 1621 O PHE C 106 6.168 8.750 -4.089 1.00 0.00 O ATOM 1622 CB PHE C 106 4.742 6.213 -3.130 1.00 0.00 C ATOM 1623 CG PHE C 106 3.996 6.261 -1.832 1.00 0.00 C ATOM 1624 CD1 PHE C 106 3.832 7.461 -1.149 1.00 0.00 C ATOM 1625 CD2 PHE C 106 3.499 5.101 -1.272 1.00 0.00 C ATOM 1626 CE1 PHE C 106 3.180 7.492 0.066 1.00 0.00 C ATOM 1627 CE2 PHE C 106 2.845 5.128 -0.058 1.00 0.00 C ATOM 1628 CZ PHE C 106 2.687 6.326 0.612 1.00 0.00 C ATOM 0 H PHE C 106 3.237 5.750 -5.116 1.00 0.00 H new ATOM 0 HA PHE C 106 3.705 8.020 -3.691 1.00 0.00 H new ATOM 0 HB2 PHE C 106 4.608 5.225 -3.570 1.00 0.00 H new ATOM 0 HB3 PHE C 106 5.806 6.328 -2.922 1.00 0.00 H new ATOM 0 HD1 PHE C 106 4.218 8.376 -1.573 1.00 0.00 H new ATOM 0 HD2 PHE C 106 3.624 4.162 -1.790 1.00 0.00 H new ATOM 0 HE1 PHE C 106 3.056 8.429 0.589 1.00 0.00 H new ATOM 0 HE2 PHE C 106 2.457 4.215 0.368 1.00 0.00 H new ATOM 0 HZ PHE C 106 2.177 6.349 1.564 1.00 0.00 H new ATOM 1638 N SER C 107 6.115 7.332 -5.809 1.00 0.00 N ATOM 1639 CA SER C 107 7.366 7.818 -6.388 1.00 0.00 C ATOM 1640 C SER C 107 7.366 9.346 -6.511 1.00 0.00 C ATOM 1641 O SER C 107 8.419 9.986 -6.457 1.00 0.00 O ATOM 1642 CB SER C 107 7.604 7.157 -7.748 1.00 0.00 C ATOM 1643 OG SER C 107 8.880 7.483 -8.271 1.00 0.00 O ATOM 0 H SER C 107 5.674 6.574 -6.330 1.00 0.00 H new ATOM 0 HA SER C 107 8.183 7.547 -5.720 1.00 0.00 H new ATOM 0 HB2 SER C 107 7.517 6.075 -7.647 1.00 0.00 H new ATOM 0 HB3 SER C 107 6.831 7.475 -8.448 1.00 0.00 H new ATOM 0 HG SER C 107 9.000 7.044 -9.139 1.00 0.00 H new ATOM 1649 N GLN C 108 6.175 9.921 -6.639 1.00 0.00 N ATOM 1650 CA GLN C 108 6.022 11.364 -6.735 1.00 0.00 C ATOM 1651 C GLN C 108 5.700 11.972 -5.367 1.00 0.00 C ATOM 1652 O GLN C 108 6.229 13.019 -5.001 1.00 0.00 O ATOM 1653 CB GLN C 108 4.900 11.707 -7.725 1.00 0.00 C ATOM 1654 CG GLN C 108 5.050 11.050 -9.090 1.00 0.00 C ATOM 1655 CD GLN C 108 6.122 11.690 -9.950 1.00 0.00 C ATOM 1656 OE1 GLN C 108 6.553 12.885 -9.573 1.00 0.00 O flip ATOM 1657 NE2 GLN C 108 6.539 11.123 -10.962 1.00 0.00 N flip ATOM 0 H GLN C 108 5.297 9.403 -6.679 1.00 0.00 H new ATOM 0 HA GLN C 108 6.964 11.783 -7.089 1.00 0.00 H new ATOM 0 HB2 GLN C 108 3.945 11.407 -7.293 1.00 0.00 H new ATOM 0 HB3 GLN C 108 4.865 12.788 -7.857 1.00 0.00 H new ATOM 0 HG2 GLN C 108 5.286 9.995 -8.953 1.00 0.00 H new ATOM 0 HG3 GLN C 108 4.096 11.098 -9.615 1.00 0.00 H new ATOM 0 HE21 GLN C 108 6.180 10.203 -11.216 1.00 0.00 H new ATOM 0 HE22 GLN C 108 7.243 11.574 -11.546 1.00 0.00 H new ATOM 1666 N TYR C 109 4.806 11.317 -4.637 1.00 0.00 N ATOM 1667 CA TYR C 109 4.362 11.793 -3.323 1.00 0.00 C ATOM 1668 C TYR C 109 5.409 11.610 -2.233 1.00 0.00 C ATOM 1669 O TYR C 109 5.348 12.264 -1.194 1.00 0.00 O ATOM 1670 CB TYR C 109 3.085 11.069 -2.934 1.00 0.00 C ATOM 1671 CG TYR C 109 2.095 11.076 -4.056 1.00 0.00 C ATOM 1672 CD1 TYR C 109 1.737 12.264 -4.678 1.00 0.00 C ATOM 1673 CD2 TYR C 109 1.556 9.899 -4.527 1.00 0.00 C ATOM 1674 CE1 TYR C 109 0.864 12.272 -5.734 1.00 0.00 C ATOM 1675 CE2 TYR C 109 0.686 9.892 -5.588 1.00 0.00 C ATOM 1676 CZ TYR C 109 0.339 11.081 -6.195 1.00 0.00 C ATOM 1677 OH TYR C 109 -0.530 11.078 -7.260 1.00 0.00 O ATOM 0 H TYR C 109 4.367 10.445 -4.933 1.00 0.00 H new ATOM 0 HA TYR C 109 4.188 12.865 -3.411 1.00 0.00 H new ATOM 0 HB2 TYR C 109 3.317 10.041 -2.657 1.00 0.00 H new ATOM 0 HB3 TYR C 109 2.647 11.545 -2.056 1.00 0.00 H new ATOM 0 HD1 TYR C 109 2.153 13.196 -4.324 1.00 0.00 H new ATOM 0 HD2 TYR C 109 1.823 8.966 -4.053 1.00 0.00 H new ATOM 0 HE1 TYR C 109 0.588 13.205 -6.203 1.00 0.00 H new ATOM 0 HE2 TYR C 109 0.275 8.960 -5.946 1.00 0.00 H new ATOM 0 HH TYR C 109 -1.186 11.798 -7.149 1.00 0.00 H new ATOM 1687 N LYS C 110 6.358 10.718 -2.462 1.00 0.00 N ATOM 1688 CA LYS C 110 7.407 10.459 -1.481 1.00 0.00 C ATOM 1689 C LYS C 110 8.366 11.639 -1.395 1.00 0.00 C ATOM 1690 O LYS C 110 8.976 11.878 -0.356 1.00 0.00 O ATOM 1691 CB LYS C 110 8.166 9.158 -1.791 1.00 0.00 C ATOM 1692 CG LYS C 110 7.377 7.896 -1.494 1.00 0.00 C ATOM 1693 CD LYS C 110 8.270 6.660 -1.516 1.00 0.00 C ATOM 1694 CE LYS C 110 8.942 6.462 -2.868 1.00 0.00 C ATOM 1695 NZ LYS C 110 9.870 5.303 -2.862 1.00 0.00 N ATOM 0 H LYS C 110 6.427 10.161 -3.314 1.00 0.00 H new ATOM 0 HA LYS C 110 6.927 10.333 -0.511 1.00 0.00 H new ATOM 0 HB2 LYS C 110 8.450 9.157 -2.843 1.00 0.00 H new ATOM 0 HB3 LYS C 110 9.089 9.141 -1.212 1.00 0.00 H new ATOM 0 HG2 LYS C 110 6.901 7.985 -0.518 1.00 0.00 H new ATOM 0 HG3 LYS C 110 6.579 7.783 -2.228 1.00 0.00 H new ATOM 0 HD2 LYS C 110 9.033 6.751 -0.743 1.00 0.00 H new ATOM 0 HD3 LYS C 110 7.675 5.779 -1.275 1.00 0.00 H new ATOM 0 HE2 LYS C 110 8.180 6.313 -3.633 1.00 0.00 H new ATOM 0 HE3 LYS C 110 9.491 7.365 -3.136 1.00 0.00 H new ATOM 0 HZ1 LYS C 110 10.454 5.322 -3.722 1.00 0.00 H new ATOM 0 HZ2 LYS C 110 10.485 5.355 -2.025 1.00 0.00 H new ATOM 0 HZ3 LYS C 110 9.322 4.420 -2.835 1.00 0.00 H new ATOM 1709 N LYS C 111 8.463 12.400 -2.477 1.00 0.00 N ATOM 1710 CA LYS C 111 9.314 13.576 -2.502 1.00 0.00 C ATOM 1711 C LYS C 111 8.450 14.829 -2.499 1.00 0.00 C ATOM 1712 O LYS C 111 8.801 15.862 -3.073 1.00 0.00 O ATOM 1713 CB LYS C 111 10.271 13.528 -3.702 1.00 0.00 C ATOM 1714 CG LYS C 111 9.606 13.203 -5.033 1.00 0.00 C ATOM 1715 CD LYS C 111 9.123 14.461 -5.735 1.00 0.00 C ATOM 1716 CE LYS C 111 8.439 14.147 -7.054 1.00 0.00 C ATOM 1717 NZ LYS C 111 8.108 15.382 -7.810 1.00 0.00 N ATOM 0 H LYS C 111 7.962 12.222 -3.347 1.00 0.00 H new ATOM 0 HA LYS C 111 9.937 13.597 -1.608 1.00 0.00 H new ATOM 0 HB2 LYS C 111 10.773 14.492 -3.788 1.00 0.00 H new ATOM 0 HB3 LYS C 111 11.042 12.783 -3.505 1.00 0.00 H new ATOM 0 HG2 LYS C 111 10.312 12.675 -5.674 1.00 0.00 H new ATOM 0 HG3 LYS C 111 8.764 12.532 -4.866 1.00 0.00 H new ATOM 0 HD2 LYS C 111 8.430 14.996 -5.085 1.00 0.00 H new ATOM 0 HD3 LYS C 111 9.969 15.124 -5.914 1.00 0.00 H new ATOM 0 HE2 LYS C 111 9.088 13.513 -7.659 1.00 0.00 H new ATOM 0 HE3 LYS C 111 7.527 13.581 -6.865 1.00 0.00 H new ATOM 0 HZ1 LYS C 111 7.553 15.134 -8.654 1.00 0.00 H new ATOM 0 HZ2 LYS C 111 7.552 16.021 -7.206 1.00 0.00 H new ATOM 0 HZ3 LYS C 111 8.986 15.857 -8.100 1.00 0.00 H new ATOM 1731 N VAL C 112 7.312 14.717 -1.826 1.00 0.00 N ATOM 1732 CA VAL C 112 6.366 15.812 -1.704 1.00 0.00 C ATOM 1733 C VAL C 112 6.613 16.604 -0.421 1.00 0.00 C ATOM 1734 O VAL C 112 6.599 17.836 -0.440 1.00 0.00 O ATOM 1735 CB VAL C 112 4.910 15.286 -1.763 1.00 0.00 C ATOM 1736 CG1 VAL C 112 3.923 16.210 -1.071 1.00 0.00 C ATOM 1737 CG2 VAL C 112 4.499 15.071 -3.206 1.00 0.00 C ATOM 0 H VAL C 112 7.021 13.863 -1.350 1.00 0.00 H new ATOM 0 HA VAL C 112 6.515 16.487 -2.547 1.00 0.00 H new ATOM 0 HB VAL C 112 4.888 14.339 -1.224 1.00 0.00 H new ATOM 0 HG11 VAL C 112 2.919 15.791 -1.144 1.00 0.00 H new ATOM 0 HG12 VAL C 112 4.197 16.315 -0.021 1.00 0.00 H new ATOM 0 HG13 VAL C 112 3.943 17.189 -1.550 1.00 0.00 H new ATOM 0 HG21 VAL C 112 3.474 14.701 -3.241 1.00 0.00 H new ATOM 0 HG22 VAL C 112 4.563 16.015 -3.747 1.00 0.00 H new ATOM 0 HG23 VAL C 112 5.164 14.342 -3.669 1.00 0.00 H new ATOM 1747 N GLU C 113 6.863 15.919 0.695 1.00 0.00 N ATOM 1748 CA GLU C 113 7.128 16.637 1.937 1.00 0.00 C ATOM 1749 C GLU C 113 8.604 16.773 2.180 1.00 0.00 C ATOM 1750 O GLU C 113 9.283 15.856 2.648 1.00 0.00 O ATOM 1751 CB GLU C 113 6.491 16.014 3.151 1.00 0.00 C ATOM 1752 CG GLU C 113 6.616 16.907 4.377 1.00 0.00 C ATOM 1753 CD GLU C 113 6.176 16.252 5.662 1.00 0.00 C ATOM 1754 OE1 GLU C 113 6.735 15.198 6.027 1.00 0.00 O ATOM 1755 OE2 GLU C 113 5.292 16.816 6.329 1.00 0.00 O ATOM 0 H GLU C 113 6.887 14.902 0.764 1.00 0.00 H new ATOM 0 HA GLU C 113 6.673 17.618 1.797 1.00 0.00 H new ATOM 0 HB2 GLU C 113 5.438 15.819 2.949 1.00 0.00 H new ATOM 0 HB3 GLU C 113 6.960 15.051 3.354 1.00 0.00 H new ATOM 0 HG2 GLU C 113 7.654 17.222 4.479 1.00 0.00 H new ATOM 0 HG3 GLU C 113 6.023 17.808 4.219 1.00 0.00 H new ATOM 1762 N LEU C 114 9.058 17.937 1.838 1.00 0.00 N ATOM 1763 CA LEU C 114 10.453 18.347 1.957 1.00 0.00 C ATOM 1764 C LEU C 114 10.564 19.840 1.698 1.00 0.00 C ATOM 1765 O LEU C 114 11.393 20.522 2.295 1.00 0.00 O ATOM 1766 CB LEU C 114 11.318 17.555 0.982 1.00 0.00 C ATOM 1767 CG LEU C 114 10.542 16.948 -0.180 1.00 0.00 C ATOM 1768 CD1 LEU C 114 10.000 17.983 -1.137 1.00 0.00 C ATOM 1769 CD2 LEU C 114 11.354 15.915 -0.893 1.00 0.00 C ATOM 0 H LEU C 114 8.459 18.667 1.452 1.00 0.00 H new ATOM 0 HA LEU C 114 10.811 18.141 2.966 1.00 0.00 H new ATOM 0 HB2 LEU C 114 12.094 18.210 0.585 1.00 0.00 H new ATOM 0 HB3 LEU C 114 11.823 16.756 1.526 1.00 0.00 H new ATOM 0 HG LEU C 114 9.673 16.456 0.256 1.00 0.00 H new ATOM 0 HD11 LEU C 114 9.458 17.486 -1.942 1.00 0.00 H new ATOM 0 HD12 LEU C 114 9.325 18.653 -0.604 1.00 0.00 H new ATOM 0 HD13 LEU C 114 10.825 18.558 -1.557 1.00 0.00 H new ATOM 0 HD21 LEU C 114 10.773 15.500 -1.717 1.00 0.00 H new ATOM 0 HD22 LEU C 114 12.263 16.373 -1.284 1.00 0.00 H new ATOM 0 HD23 LEU C 114 11.619 15.118 -0.199 1.00 0.00 H new