USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 885 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 59 HIS : no HE2:sc= -1.17! C(o=-11!,f=-19!) USER MOD Set 1.2: A 113 CYS SG : rot -140:sc= -0.175 USER MOD Set 1.3: A 115 SER OG : rot 120:sc= -1.27 USER MOD Set 1.4: A 152 THR OG1 : rot 180:sc= 0.432 USER MOD Set 1.5: A 154 SER OG : rot 71:sc= 0.513 USER MOD Set 1.6: A 157 HIS : no HE2:sc= -9.08! C(o=-11!,f=-13!) USER MOD Set 2.1: A 57 CYS SG : rot -6:sc= -1.48 USER MOD Set 2.2: A 138 SER OG : rot -61:sc= 0.553 USER MOD Single : A 58 SER OG : rot 160:sc= -0.214 USER MOD Single : A 63 LYS NZ :NH3+ -168:sc= 0.556 (180deg=0.527) USER MOD Single : A 64 HIS : no HD1:sc= -4.85 K(o=-4.8,f=-12!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -1.67 K(o=-1.7,f=-2.2!) USER MOD Single : A 67 SER OG : rot -55:sc= 1.08 USER MOD Single : A 71 SER OG : rot 180:sc= -0.759 USER MOD Single : A 72 SER OG : rot 39:sc= -2.8! USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 77 LYS NZ :NH3+ -158:sc= -0.0243 (180deg=-0.21) USER MOD Single : A 79 THR OG1 : rot -31:sc= 0.216 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.644 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.317 X(o=-0.32,f=0) USER MOD Single : A 92 TYR OH : rot -69:sc= 2.1 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 170:sc= 0.0158 (180deg=0.00689) USER MOD Single : A 97 LYS NZ :NH3+ -121:sc= 0.155 (180deg=-0.443) USER MOD Single : A 98 SER OG : rot -49:sc= -1.06 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot -68:sc= 0.534 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 SER OG : rot 140:sc= -0.148 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 154:sc= -0.0787 (180deg=-0.622) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 129 GLN : amide:sc= -0.509 X(o=-0.51,f=-0.041) USER MOD Single : A 130 MET CE :methyl -156:sc= -1.64 (180deg=-3.22!) USER MOD Single : A 131 GLN : amide:sc= -0.867 K(o=-0.87,f=-3!) USER MOD Single : A 132 LYS NZ :NH3+ 147:sc= -0.246 (180deg=-1.12!) USER MOD Single : A 143 THR OG1 : rot 180:sc= 0.00338 USER MOD Single : A 146 MET CE :methyl -135:sc= -6.65! (180deg=-10.5!) USER MOD Single : A 147 SER OG : rot 130:sc= -0.163 USER MOD Single : A 162 THR OG1 : rot -171:sc= -0.99 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 50 36.896 1.914 12.031 1.00 0.00 N ATOM 2 CA GLY A 50 35.484 1.578 11.699 1.00 0.00 C ATOM 3 C GLY A 50 35.347 0.200 11.081 1.00 0.00 C ATOM 4 O GLY A 50 35.933 -0.766 11.566 1.00 0.00 O ATOM 0 HA2 GLY A 50 34.879 1.629 12.604 1.00 0.00 H new ATOM 0 HA3 GLY A 50 35.089 2.323 11.009 1.00 0.00 H new ATOM 10 N GLU A 51 34.571 0.111 10.006 1.00 0.00 N ATOM 11 CA GLU A 51 34.359 -1.159 9.322 1.00 0.00 C ATOM 12 C GLU A 51 33.948 -0.939 7.867 1.00 0.00 C ATOM 13 O GLU A 51 32.956 -1.504 7.402 1.00 0.00 O ATOM 14 CB GLU A 51 33.292 -1.982 10.049 1.00 0.00 C ATOM 15 CG GLU A 51 33.412 -3.478 9.816 1.00 0.00 C ATOM 16 CD GLU A 51 32.392 -3.997 8.821 1.00 0.00 C ATOM 17 OE1 GLU A 51 31.213 -4.146 9.203 1.00 0.00 O ATOM 18 OE2 GLU A 51 32.773 -4.256 7.660 1.00 0.00 O ATOM 0 H GLU A 51 34.079 0.902 9.590 1.00 0.00 H new ATOM 0 HA GLU A 51 35.301 -1.707 9.332 1.00 0.00 H new ATOM 0 HB2 GLU A 51 33.359 -1.783 11.119 1.00 0.00 H new ATOM 0 HB3 GLU A 51 32.306 -1.650 9.724 1.00 0.00 H new ATOM 0 HG2 GLU A 51 34.415 -3.706 9.455 1.00 0.00 H new ATOM 0 HG3 GLU A 51 33.288 -4.001 10.764 1.00 0.00 H new ATOM 25 N PRO A 52 34.708 -0.118 7.121 1.00 0.00 N ATOM 26 CA PRO A 52 34.415 0.163 5.714 1.00 0.00 C ATOM 27 C PRO A 52 34.712 -1.035 4.817 1.00 0.00 C ATOM 28 O PRO A 52 35.537 -1.883 5.156 1.00 0.00 O ATOM 29 CB PRO A 52 35.345 1.332 5.384 1.00 0.00 C ATOM 30 CG PRO A 52 36.486 1.184 6.329 1.00 0.00 C ATOM 31 CD PRO A 52 35.912 0.595 7.589 1.00 0.00 C ATOM 0 HA PRO A 52 33.361 0.387 5.549 1.00 0.00 H new ATOM 0 HB2 PRO A 52 35.681 1.291 4.348 1.00 0.00 H new ATOM 0 HB3 PRO A 52 34.841 2.289 5.518 1.00 0.00 H new ATOM 0 HG2 PRO A 52 37.256 0.535 5.911 1.00 0.00 H new ATOM 0 HG3 PRO A 52 36.955 2.148 6.528 1.00 0.00 H new ATOM 0 HD2 PRO A 52 36.616 -0.082 8.072 1.00 0.00 H new ATOM 0 HD3 PRO A 52 35.663 1.368 8.316 1.00 0.00 H new ATOM 39 N ALA A 53 34.031 -1.101 3.680 1.00 0.00 N ATOM 40 CA ALA A 53 34.217 -2.202 2.741 1.00 0.00 C ATOM 41 C ALA A 53 35.505 -2.045 1.939 1.00 0.00 C ATOM 42 O ALA A 53 36.370 -2.921 1.960 1.00 0.00 O ATOM 43 CB ALA A 53 33.021 -2.303 1.807 1.00 0.00 C ATOM 0 H ALA A 53 33.345 -0.406 3.385 1.00 0.00 H new ATOM 0 HA ALA A 53 34.298 -3.123 3.319 1.00 0.00 H new ATOM 0 HB1 ALA A 53 33.172 -3.128 1.111 1.00 0.00 H new ATOM 0 HB2 ALA A 53 32.118 -2.481 2.391 1.00 0.00 H new ATOM 0 HB3 ALA A 53 32.915 -1.373 1.249 1.00 0.00 H new ATOM 49 N ARG A 54 35.622 -0.931 1.225 1.00 0.00 N ATOM 50 CA ARG A 54 36.801 -0.671 0.407 1.00 0.00 C ATOM 51 C ARG A 54 37.153 0.817 0.418 1.00 0.00 C ATOM 52 O ARG A 54 36.287 1.669 0.615 1.00 0.00 O ATOM 53 CB ARG A 54 36.551 -1.169 -1.026 1.00 0.00 C ATOM 54 CG ARG A 54 36.949 -0.189 -2.124 1.00 0.00 C ATOM 55 CD ARG A 54 37.035 -0.874 -3.479 1.00 0.00 C ATOM 56 NE ARG A 54 35.714 -1.131 -4.050 1.00 0.00 N ATOM 57 CZ ARG A 54 35.015 -2.246 -3.842 1.00 0.00 C ATOM 58 NH1 ARG A 54 35.505 -3.219 -3.080 1.00 0.00 N ATOM 59 NH2 ARG A 54 33.822 -2.390 -4.399 1.00 0.00 N ATOM 0 H ARG A 54 34.917 -0.195 1.196 1.00 0.00 H new ATOM 0 HA ARG A 54 37.651 -1.211 0.824 1.00 0.00 H new ATOM 0 HB2 ARG A 54 37.100 -2.099 -1.173 1.00 0.00 H new ATOM 0 HB3 ARG A 54 35.492 -1.403 -1.134 1.00 0.00 H new ATOM 0 HG2 ARG A 54 36.222 0.622 -2.171 1.00 0.00 H new ATOM 0 HG3 ARG A 54 37.912 0.260 -1.881 1.00 0.00 H new ATOM 0 HD2 ARG A 54 37.611 -0.251 -4.164 1.00 0.00 H new ATOM 0 HD3 ARG A 54 37.574 -1.816 -3.375 1.00 0.00 H new ATOM 0 HE ARG A 54 35.302 -0.412 -4.645 1.00 0.00 H new ATOM 0 HH11 ARG A 54 36.424 -3.116 -2.649 1.00 0.00 H new ATOM 0 HH12 ARG A 54 34.962 -4.069 -2.927 1.00 0.00 H new ATOM 0 HH21 ARG A 54 33.440 -1.648 -4.986 1.00 0.00 H new ATOM 0 HH22 ARG A 54 33.285 -3.243 -4.241 1.00 0.00 H new ATOM 73 N VAL A 55 38.431 1.121 0.207 1.00 0.00 N ATOM 74 CA VAL A 55 38.899 2.504 0.192 1.00 0.00 C ATOM 75 C VAL A 55 39.953 2.721 -0.891 1.00 0.00 C ATOM 76 O VAL A 55 40.530 1.766 -1.409 1.00 0.00 O ATOM 77 CB VAL A 55 39.492 2.911 1.555 1.00 0.00 C ATOM 78 CG1 VAL A 55 38.423 2.872 2.637 1.00 0.00 C ATOM 79 CG2 VAL A 55 40.663 2.009 1.917 1.00 0.00 C ATOM 0 H VAL A 55 39.161 0.428 0.044 1.00 0.00 H new ATOM 0 HA VAL A 55 38.030 3.127 -0.021 1.00 0.00 H new ATOM 0 HB VAL A 55 39.861 3.934 1.480 1.00 0.00 H new ATOM 0 HG11 VAL A 55 38.861 3.162 3.592 1.00 0.00 H new ATOM 0 HG12 VAL A 55 37.620 3.564 2.381 1.00 0.00 H new ATOM 0 HG13 VAL A 55 38.021 1.862 2.715 1.00 0.00 H new ATOM 0 HG21 VAL A 55 41.070 2.311 2.882 1.00 0.00 H new ATOM 0 HG22 VAL A 55 40.322 0.975 1.974 1.00 0.00 H new ATOM 0 HG23 VAL A 55 41.437 2.094 1.155 1.00 0.00 H new ATOM 89 N ARG A 56 40.201 3.988 -1.224 1.00 0.00 N ATOM 90 CA ARG A 56 41.189 4.336 -2.239 1.00 0.00 C ATOM 91 C ARG A 56 42.386 5.027 -1.596 1.00 0.00 C ATOM 92 O ARG A 56 42.246 6.090 -0.990 1.00 0.00 O ATOM 93 CB ARG A 56 40.560 5.247 -3.296 1.00 0.00 C ATOM 94 CG ARG A 56 41.530 5.706 -4.373 1.00 0.00 C ATOM 95 CD ARG A 56 40.849 6.625 -5.374 1.00 0.00 C ATOM 96 NE ARG A 56 41.810 7.431 -6.125 1.00 0.00 N ATOM 97 CZ ARG A 56 42.404 7.030 -7.246 1.00 0.00 C ATOM 98 NH1 ARG A 56 42.144 5.832 -7.756 1.00 0.00 N ATOM 99 NH2 ARG A 56 43.261 7.832 -7.865 1.00 0.00 N ATOM 0 H ARG A 56 39.730 4.789 -0.804 1.00 0.00 H new ATOM 0 HA ARG A 56 41.532 3.421 -2.722 1.00 0.00 H new ATOM 0 HB2 ARG A 56 39.731 4.720 -3.769 1.00 0.00 H new ATOM 0 HB3 ARG A 56 40.140 6.123 -2.802 1.00 0.00 H new ATOM 0 HG2 ARG A 56 42.370 6.226 -3.912 1.00 0.00 H new ATOM 0 HG3 ARG A 56 41.938 4.838 -4.892 1.00 0.00 H new ATOM 0 HD2 ARG A 56 40.257 6.029 -6.068 1.00 0.00 H new ATOM 0 HD3 ARG A 56 40.157 7.283 -4.848 1.00 0.00 H new ATOM 0 HE ARG A 56 42.039 8.358 -5.767 1.00 0.00 H new ATOM 0 HH11 ARG A 56 41.484 5.211 -7.288 1.00 0.00 H new ATOM 0 HH12 ARG A 56 42.604 5.533 -8.616 1.00 0.00 H new ATOM 0 HH21 ARG A 56 43.464 8.755 -7.481 1.00 0.00 H new ATOM 0 HH22 ARG A 56 43.717 7.525 -8.724 1.00 0.00 H new ATOM 113 N CYS A 57 43.559 4.417 -1.717 1.00 0.00 N ATOM 114 CA CYS A 57 44.767 4.980 -1.129 1.00 0.00 C ATOM 115 C CYS A 57 46.001 4.682 -1.970 1.00 0.00 C ATOM 116 O CYS A 57 46.078 3.659 -2.651 1.00 0.00 O ATOM 117 CB CYS A 57 44.974 4.424 0.281 1.00 0.00 C ATOM 118 SG CYS A 57 43.547 4.619 1.372 1.00 0.00 S ATOM 0 H CYS A 57 43.699 3.537 -2.214 1.00 0.00 H new ATOM 0 HA CYS A 57 44.634 6.061 -1.090 1.00 0.00 H new ATOM 0 HB2 CYS A 57 45.220 3.365 0.209 1.00 0.00 H new ATOM 0 HB3 CYS A 57 45.833 4.921 0.733 1.00 0.00 H new ATOM 0 HG CYS A 57 42.633 5.321 0.770 1.00 0.00 H new ATOM 124 N SER A 58 46.977 5.576 -1.882 1.00 0.00 N ATOM 125 CA SER A 58 48.235 5.423 -2.591 1.00 0.00 C ATOM 126 C SER A 58 49.345 5.256 -1.569 1.00 0.00 C ATOM 127 O SER A 58 49.188 5.656 -0.414 1.00 0.00 O ATOM 128 CB SER A 58 48.514 6.640 -3.476 1.00 0.00 C ATOM 129 OG SER A 58 47.311 7.296 -3.839 1.00 0.00 O ATOM 0 H SER A 58 46.917 6.424 -1.318 1.00 0.00 H new ATOM 0 HA SER A 58 48.183 4.547 -3.237 1.00 0.00 H new ATOM 0 HB2 SER A 58 49.166 7.336 -2.947 1.00 0.00 H new ATOM 0 HB3 SER A 58 49.045 6.326 -4.374 1.00 0.00 H new ATOM 0 HG SER A 58 47.510 8.215 -4.116 1.00 0.00 H new ATOM 135 N HIS A 59 50.460 4.660 -1.966 1.00 0.00 N ATOM 136 CA HIS A 59 51.552 4.461 -1.026 1.00 0.00 C ATOM 137 C HIS A 59 52.917 4.588 -1.692 1.00 0.00 C ATOM 138 O HIS A 59 53.057 4.420 -2.903 1.00 0.00 O ATOM 139 CB HIS A 59 51.402 3.104 -0.325 1.00 0.00 C ATOM 140 CG HIS A 59 52.046 1.953 -1.044 1.00 0.00 C ATOM 141 ND1 HIS A 59 52.490 0.818 -0.396 1.00 0.00 N ATOM 142 CD2 HIS A 59 52.316 1.761 -2.358 1.00 0.00 C ATOM 143 CE1 HIS A 59 53.009 -0.015 -1.278 1.00 0.00 C ATOM 144 NE2 HIS A 59 52.916 0.531 -2.474 1.00 0.00 N ATOM 0 H HIS A 59 50.631 4.313 -2.910 1.00 0.00 H new ATOM 0 HA HIS A 59 51.496 5.253 -0.279 1.00 0.00 H new ATOM 0 HB2 HIS A 59 51.831 3.177 0.674 1.00 0.00 H new ATOM 0 HB3 HIS A 59 50.341 2.889 -0.201 1.00 0.00 H new ATOM 0 HD1 HIS A 59 52.427 0.649 0.608 1.00 0.00 H new ATOM 0 HD2 HIS A 59 52.100 2.447 -3.164 1.00 0.00 H new ATOM 0 HE1 HIS A 59 53.438 -0.981 -1.057 1.00 0.00 H new ATOM 153 N LEU A 60 53.923 4.888 -0.877 1.00 0.00 N ATOM 154 CA LEU A 60 55.286 5.042 -1.360 1.00 0.00 C ATOM 155 C LEU A 60 56.214 4.066 -0.647 1.00 0.00 C ATOM 156 O LEU A 60 56.586 4.278 0.507 1.00 0.00 O ATOM 157 CB LEU A 60 55.768 6.477 -1.146 1.00 0.00 C ATOM 158 CG LEU A 60 56.344 7.152 -2.391 1.00 0.00 C ATOM 159 CD1 LEU A 60 56.094 8.651 -2.355 1.00 0.00 C ATOM 160 CD2 LEU A 60 57.830 6.858 -2.514 1.00 0.00 C ATOM 0 H LEU A 60 53.816 5.030 0.127 1.00 0.00 H new ATOM 0 HA LEU A 60 55.301 4.824 -2.428 1.00 0.00 H new ATOM 0 HB2 LEU A 60 54.934 7.075 -0.779 1.00 0.00 H new ATOM 0 HB3 LEU A 60 56.528 6.477 -0.365 1.00 0.00 H new ATOM 0 HG LEU A 60 55.839 6.746 -3.267 1.00 0.00 H new ATOM 0 HD11 LEU A 60 56.512 9.111 -3.250 1.00 0.00 H new ATOM 0 HD12 LEU A 60 55.021 8.840 -2.317 1.00 0.00 H new ATOM 0 HD13 LEU A 60 56.569 9.078 -1.472 1.00 0.00 H new ATOM 0 HD21 LEU A 60 58.225 7.346 -3.405 1.00 0.00 H new ATOM 0 HD22 LEU A 60 58.350 7.236 -1.633 1.00 0.00 H new ATOM 0 HD23 LEU A 60 57.983 5.782 -2.592 1.00 0.00 H new ATOM 172 N LEU A 61 56.577 2.993 -1.343 1.00 0.00 N ATOM 173 CA LEU A 61 57.457 1.979 -0.778 1.00 0.00 C ATOM 174 C LEU A 61 58.919 2.312 -1.053 1.00 0.00 C ATOM 175 O LEU A 61 59.296 2.614 -2.185 1.00 0.00 O ATOM 176 CB LEU A 61 57.116 0.603 -1.358 1.00 0.00 C ATOM 177 CG LEU A 61 58.156 -0.495 -1.103 1.00 0.00 C ATOM 178 CD1 LEU A 61 58.559 -0.528 0.364 1.00 0.00 C ATOM 179 CD2 LEU A 61 57.618 -1.850 -1.541 1.00 0.00 C ATOM 0 H LEU A 61 56.275 2.804 -2.299 1.00 0.00 H new ATOM 0 HA LEU A 61 57.306 1.961 0.301 1.00 0.00 H new ATOM 0 HB2 LEU A 61 56.162 0.279 -0.943 1.00 0.00 H new ATOM 0 HB3 LEU A 61 56.977 0.705 -2.434 1.00 0.00 H new ATOM 0 HG LEU A 61 59.044 -0.268 -1.694 1.00 0.00 H new ATOM 0 HD11 LEU A 61 59.297 -1.314 0.521 1.00 0.00 H new ATOM 0 HD12 LEU A 61 58.988 0.434 0.645 1.00 0.00 H new ATOM 0 HD13 LEU A 61 57.681 -0.727 0.978 1.00 0.00 H new ATOM 0 HD21 LEU A 61 58.369 -2.618 -1.353 1.00 0.00 H new ATOM 0 HD22 LEU A 61 56.714 -2.081 -0.978 1.00 0.00 H new ATOM 0 HD23 LEU A 61 57.386 -1.822 -2.606 1.00 0.00 H new ATOM 191 N VAL A 62 59.743 2.238 -0.013 1.00 0.00 N ATOM 192 CA VAL A 62 61.166 2.516 -0.141 1.00 0.00 C ATOM 193 C VAL A 62 61.966 1.631 0.813 1.00 0.00 C ATOM 194 O VAL A 62 62.012 1.885 2.016 1.00 0.00 O ATOM 195 CB VAL A 62 61.484 3.998 0.152 1.00 0.00 C ATOM 196 CG1 VAL A 62 62.969 4.280 -0.035 1.00 0.00 C ATOM 197 CG2 VAL A 62 60.647 4.907 -0.734 1.00 0.00 C ATOM 0 H VAL A 62 59.447 1.987 0.930 1.00 0.00 H new ATOM 0 HA VAL A 62 61.449 2.300 -1.171 1.00 0.00 H new ATOM 0 HB VAL A 62 61.230 4.204 1.192 1.00 0.00 H new ATOM 0 HG11 VAL A 62 63.169 5.330 0.177 1.00 0.00 H new ATOM 0 HG12 VAL A 62 63.547 3.656 0.647 1.00 0.00 H new ATOM 0 HG13 VAL A 62 63.255 4.056 -1.063 1.00 0.00 H new ATOM 0 HG21 VAL A 62 60.884 5.948 -0.514 1.00 0.00 H new ATOM 0 HG22 VAL A 62 60.867 4.698 -1.781 1.00 0.00 H new ATOM 0 HG23 VAL A 62 59.589 4.728 -0.543 1.00 0.00 H new ATOM 207 N LYS A 63 62.582 0.584 0.273 1.00 0.00 N ATOM 208 CA LYS A 63 63.365 -0.348 1.085 1.00 0.00 C ATOM 209 C LYS A 63 64.585 0.327 1.696 1.00 0.00 C ATOM 210 O LYS A 63 64.877 1.489 1.414 1.00 0.00 O ATOM 211 CB LYS A 63 63.806 -1.563 0.258 1.00 0.00 C ATOM 212 CG LYS A 63 62.860 -1.928 -0.880 1.00 0.00 C ATOM 213 CD LYS A 63 61.410 -1.972 -0.422 1.00 0.00 C ATOM 214 CE LYS A 63 60.816 -3.363 -0.583 1.00 0.00 C ATOM 215 NZ LYS A 63 60.875 -3.837 -1.993 1.00 0.00 N ATOM 0 H LYS A 63 62.556 0.358 -0.721 1.00 0.00 H new ATOM 0 HA LYS A 63 62.718 -0.685 1.895 1.00 0.00 H new ATOM 0 HB2 LYS A 63 64.794 -1.365 -0.157 1.00 0.00 H new ATOM 0 HB3 LYS A 63 63.905 -2.422 0.922 1.00 0.00 H new ATOM 0 HG2 LYS A 63 62.964 -1.201 -1.686 1.00 0.00 H new ATOM 0 HG3 LYS A 63 63.141 -2.899 -1.288 1.00 0.00 H new ATOM 0 HD2 LYS A 63 61.348 -1.668 0.623 1.00 0.00 H new ATOM 0 HD3 LYS A 63 60.824 -1.256 -0.998 1.00 0.00 H new ATOM 0 HE2 LYS A 63 61.354 -4.063 0.057 1.00 0.00 H new ATOM 0 HE3 LYS A 63 59.779 -3.355 -0.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 60.286 -4.688 -2.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 60.521 -3.091 -2.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 61.859 -4.064 -2.242 1.00 0.00 H new ATOM 229 N HIS A 64 65.290 -0.417 2.540 1.00 0.00 N ATOM 230 CA HIS A 64 66.479 0.093 3.205 1.00 0.00 C ATOM 231 C HIS A 64 67.502 -1.024 3.421 1.00 0.00 C ATOM 232 O HIS A 64 67.167 -2.206 3.340 1.00 0.00 O ATOM 233 CB HIS A 64 66.094 0.737 4.539 1.00 0.00 C ATOM 234 CG HIS A 64 65.135 -0.074 5.358 1.00 0.00 C ATOM 235 ND1 HIS A 64 65.529 -1.143 6.131 1.00 0.00 N ATOM 236 CD2 HIS A 64 63.799 0.047 5.544 1.00 0.00 C ATOM 237 CE1 HIS A 64 64.485 -1.645 6.761 1.00 0.00 C ATOM 238 NE2 HIS A 64 63.420 -0.942 6.421 1.00 0.00 N ATOM 0 H HIS A 64 65.056 -1.380 2.780 1.00 0.00 H new ATOM 0 HA HIS A 64 66.938 0.849 2.568 1.00 0.00 H new ATOM 0 HB2 HIS A 64 66.999 0.907 5.122 1.00 0.00 H new ATOM 0 HB3 HIS A 64 65.652 1.714 4.344 1.00 0.00 H new ATOM 0 HD2 HIS A 64 63.152 0.783 5.089 1.00 0.00 H new ATOM 0 HE1 HIS A 64 64.499 -2.486 7.438 1.00 0.00 H new ATOM 0 HE2 HIS A 64 62.470 -1.106 6.755 1.00 0.00 H new ATOM 247 N SER A 65 68.750 -0.643 3.686 1.00 0.00 N ATOM 248 CA SER A 65 69.824 -1.615 3.900 1.00 0.00 C ATOM 249 C SER A 65 69.478 -2.605 5.016 1.00 0.00 C ATOM 250 O SER A 65 70.062 -3.685 5.099 1.00 0.00 O ATOM 251 CB SER A 65 71.135 -0.887 4.220 1.00 0.00 C ATOM 252 OG SER A 65 71.880 -1.565 5.217 1.00 0.00 O ATOM 0 H SER A 65 69.044 0.331 3.758 1.00 0.00 H new ATOM 0 HA SER A 65 69.945 -2.187 2.980 1.00 0.00 H new ATOM 0 HB2 SER A 65 71.734 -0.801 3.314 1.00 0.00 H new ATOM 0 HB3 SER A 65 70.916 0.127 4.555 1.00 0.00 H new ATOM 0 HG SER A 65 72.710 -1.075 5.395 1.00 0.00 H new ATOM 258 N GLN A 66 68.533 -2.230 5.870 1.00 0.00 N ATOM 259 CA GLN A 66 68.118 -3.085 6.981 1.00 0.00 C ATOM 260 C GLN A 66 66.910 -3.949 6.615 1.00 0.00 C ATOM 261 O GLN A 66 66.518 -4.827 7.383 1.00 0.00 O ATOM 262 CB GLN A 66 67.777 -2.232 8.206 1.00 0.00 C ATOM 263 CG GLN A 66 68.944 -1.406 8.717 1.00 0.00 C ATOM 264 CD GLN A 66 68.612 0.070 8.815 1.00 0.00 C ATOM 265 OE1 GLN A 66 68.963 0.735 9.789 1.00 0.00 O ATOM 266 NE2 GLN A 66 67.931 0.591 7.799 1.00 0.00 N ATOM 0 H GLN A 66 68.038 -1.340 5.816 1.00 0.00 H new ATOM 0 HA GLN A 66 68.954 -3.747 7.209 1.00 0.00 H new ATOM 0 HB2 GLN A 66 66.953 -1.564 7.955 1.00 0.00 H new ATOM 0 HB3 GLN A 66 67.427 -2.884 9.006 1.00 0.00 H new ATOM 0 HG2 GLN A 66 69.243 -1.774 9.699 1.00 0.00 H new ATOM 0 HG3 GLN A 66 69.798 -1.540 8.053 1.00 0.00 H new ATOM 0 HE21 GLN A 66 67.660 0.002 7.011 1.00 0.00 H new ATOM 0 HE22 GLN A 66 67.679 1.579 7.807 1.00 0.00 H new ATOM 275 N SER A 67 66.317 -3.697 5.450 1.00 0.00 N ATOM 276 CA SER A 67 65.155 -4.463 5.013 1.00 0.00 C ATOM 277 C SER A 67 65.532 -5.913 4.732 1.00 0.00 C ATOM 278 O SER A 67 66.693 -6.217 4.455 1.00 0.00 O ATOM 279 CB SER A 67 64.541 -3.831 3.764 1.00 0.00 C ATOM 280 OG SER A 67 65.437 -3.889 2.669 1.00 0.00 O ATOM 0 H SER A 67 66.620 -2.974 4.797 1.00 0.00 H new ATOM 0 HA SER A 67 64.419 -4.448 5.817 1.00 0.00 H new ATOM 0 HB2 SER A 67 63.616 -4.348 3.509 1.00 0.00 H new ATOM 0 HB3 SER A 67 64.280 -2.793 3.969 1.00 0.00 H new ATOM 0 HG SER A 67 66.286 -3.468 2.918 1.00 0.00 H new ATOM 286 N ARG A 68 64.548 -6.804 4.801 1.00 0.00 N ATOM 287 CA ARG A 68 64.789 -8.221 4.547 1.00 0.00 C ATOM 288 C ARG A 68 65.280 -8.437 3.119 1.00 0.00 C ATOM 289 O ARG A 68 65.990 -9.402 2.834 1.00 0.00 O ATOM 290 CB ARG A 68 63.516 -9.033 4.795 1.00 0.00 C ATOM 291 CG ARG A 68 62.322 -8.554 3.988 1.00 0.00 C ATOM 292 CD ARG A 68 62.161 -9.355 2.707 1.00 0.00 C ATOM 293 NE ARG A 68 60.802 -9.272 2.174 1.00 0.00 N ATOM 294 CZ ARG A 68 59.802 -10.059 2.562 1.00 0.00 C ATOM 295 NH1 ARG A 68 59.998 -10.987 3.490 1.00 0.00 N ATOM 296 NH2 ARG A 68 58.601 -9.918 2.019 1.00 0.00 N ATOM 0 H ARG A 68 63.581 -6.572 5.029 1.00 0.00 H new ATOM 0 HA ARG A 68 65.563 -8.563 5.235 1.00 0.00 H new ATOM 0 HB2 ARG A 68 63.710 -10.079 4.556 1.00 0.00 H new ATOM 0 HB3 ARG A 68 63.268 -8.989 5.856 1.00 0.00 H new ATOM 0 HG2 ARG A 68 61.417 -8.640 4.589 1.00 0.00 H new ATOM 0 HG3 ARG A 68 62.445 -7.498 3.746 1.00 0.00 H new ATOM 0 HD2 ARG A 68 62.866 -8.989 1.960 1.00 0.00 H new ATOM 0 HD3 ARG A 68 62.412 -10.398 2.898 1.00 0.00 H new ATOM 0 HE ARG A 68 60.609 -8.568 1.462 1.00 0.00 H new ATOM 0 HH11 ARG A 68 60.920 -11.101 3.911 1.00 0.00 H new ATOM 0 HH12 ARG A 68 59.227 -11.587 3.782 1.00 0.00 H new ATOM 0 HH21 ARG A 68 58.445 -9.207 1.305 1.00 0.00 H new ATOM 0 HH22 ARG A 68 57.833 -10.521 2.315 1.00 0.00 H new ATOM 310 N ARG A 69 64.899 -7.530 2.224 1.00 0.00 N ATOM 311 CA ARG A 69 65.301 -7.612 0.826 1.00 0.00 C ATOM 312 C ARG A 69 65.291 -6.226 0.186 1.00 0.00 C ATOM 313 O ARG A 69 64.299 -5.817 -0.417 1.00 0.00 O ATOM 314 CB ARG A 69 64.371 -8.554 0.057 1.00 0.00 C ATOM 315 CG ARG A 69 64.898 -8.947 -1.313 1.00 0.00 C ATOM 316 CD ARG A 69 64.553 -10.389 -1.650 1.00 0.00 C ATOM 317 NE ARG A 69 63.454 -10.480 -2.609 1.00 0.00 N ATOM 318 CZ ARG A 69 62.167 -10.401 -2.273 1.00 0.00 C ATOM 319 NH1 ARG A 69 61.810 -10.229 -1.006 1.00 0.00 N ATOM 320 NH2 ARG A 69 61.232 -10.492 -3.209 1.00 0.00 N ATOM 0 H ARG A 69 64.310 -6.727 2.445 1.00 0.00 H new ATOM 0 HA ARG A 69 66.315 -8.009 0.783 1.00 0.00 H new ATOM 0 HB2 ARG A 69 64.212 -9.456 0.648 1.00 0.00 H new ATOM 0 HB3 ARG A 69 63.399 -8.075 -0.061 1.00 0.00 H new ATOM 0 HG2 ARG A 69 64.477 -8.285 -2.070 1.00 0.00 H new ATOM 0 HG3 ARG A 69 65.980 -8.815 -1.340 1.00 0.00 H new ATOM 0 HD2 ARG A 69 65.433 -10.886 -2.059 1.00 0.00 H new ATOM 0 HD3 ARG A 69 64.282 -10.920 -0.737 1.00 0.00 H new ATOM 0 HE ARG A 69 63.686 -10.612 -3.594 1.00 0.00 H new ATOM 0 HH11 ARG A 69 62.523 -10.156 -0.281 1.00 0.00 H new ATOM 0 HH12 ARG A 69 60.822 -10.170 -0.758 1.00 0.00 H new ATOM 0 HH21 ARG A 69 61.498 -10.622 -4.185 1.00 0.00 H new ATOM 0 HH22 ARG A 69 60.246 -10.432 -2.953 1.00 0.00 H new ATOM 334 N PRO A 70 66.401 -5.480 0.325 1.00 0.00 N ATOM 335 CA PRO A 70 66.516 -4.129 -0.229 1.00 0.00 C ATOM 336 C PRO A 70 66.569 -4.111 -1.749 1.00 0.00 C ATOM 337 O PRO A 70 67.644 -4.164 -2.345 1.00 0.00 O ATOM 338 CB PRO A 70 67.831 -3.606 0.351 1.00 0.00 C ATOM 339 CG PRO A 70 68.617 -4.823 0.699 1.00 0.00 C ATOM 340 CD PRO A 70 67.619 -5.894 1.043 1.00 0.00 C ATOM 0 HA PRO A 70 65.647 -3.524 0.029 1.00 0.00 H new ATOM 0 HB2 PRO A 70 68.362 -2.988 -0.373 1.00 0.00 H new ATOM 0 HB3 PRO A 70 67.655 -2.987 1.230 1.00 0.00 H new ATOM 0 HG2 PRO A 70 69.244 -5.132 -0.137 1.00 0.00 H new ATOM 0 HG3 PRO A 70 69.282 -4.628 1.541 1.00 0.00 H new ATOM 0 HD2 PRO A 70 67.960 -6.878 0.720 1.00 0.00 H new ATOM 0 HD3 PRO A 70 67.450 -5.953 2.118 1.00 0.00 H new ATOM 348 N SER A 71 65.397 -4.024 -2.366 1.00 0.00 N ATOM 349 CA SER A 71 65.276 -3.980 -3.805 1.00 0.00 C ATOM 350 C SER A 71 63.812 -3.855 -4.206 1.00 0.00 C ATOM 351 O SER A 71 62.977 -3.447 -3.400 1.00 0.00 O ATOM 352 CB SER A 71 65.934 -5.212 -4.426 1.00 0.00 C ATOM 353 OG SER A 71 64.980 -6.098 -4.987 1.00 0.00 O ATOM 0 H SER A 71 64.504 -3.982 -1.874 1.00 0.00 H new ATOM 0 HA SER A 71 65.797 -3.101 -4.185 1.00 0.00 H new ATOM 0 HB2 SER A 71 66.635 -4.898 -5.199 1.00 0.00 H new ATOM 0 HB3 SER A 71 66.512 -5.736 -3.665 1.00 0.00 H new ATOM 0 HG SER A 71 65.440 -6.871 -5.375 1.00 0.00 H new ATOM 359 N SER A 72 63.501 -4.184 -5.449 1.00 0.00 N ATOM 360 CA SER A 72 62.128 -4.075 -5.933 1.00 0.00 C ATOM 361 C SER A 72 61.799 -5.116 -6.994 1.00 0.00 C ATOM 362 O SER A 72 62.647 -5.913 -7.398 1.00 0.00 O ATOM 363 CB SER A 72 61.885 -2.688 -6.518 1.00 0.00 C ATOM 364 OG SER A 72 60.558 -2.263 -6.285 1.00 0.00 O ATOM 0 H SER A 72 64.171 -4.526 -6.138 1.00 0.00 H new ATOM 0 HA SER A 72 61.480 -4.248 -5.074 1.00 0.00 H new ATOM 0 HB2 SER A 72 62.581 -1.976 -6.075 1.00 0.00 H new ATOM 0 HB3 SER A 72 62.083 -2.702 -7.590 1.00 0.00 H new ATOM 0 HG SER A 72 60.276 -2.546 -5.390 1.00 0.00 H new ATOM 370 N TRP A 73 60.547 -5.084 -7.446 1.00 0.00 N ATOM 371 CA TRP A 73 60.072 -6.005 -8.470 1.00 0.00 C ATOM 372 C TRP A 73 60.743 -5.704 -9.802 1.00 0.00 C ATOM 373 O TRP A 73 60.880 -6.585 -10.652 1.00 0.00 O ATOM 374 CB TRP A 73 58.546 -5.933 -8.610 1.00 0.00 C ATOM 375 CG TRP A 73 58.013 -4.554 -8.863 1.00 0.00 C ATOM 376 CD1 TRP A 73 57.883 -3.544 -7.953 1.00 0.00 C ATOM 377 CD2 TRP A 73 57.518 -4.039 -10.106 1.00 0.00 C ATOM 378 NE1 TRP A 73 57.356 -2.429 -8.555 1.00 0.00 N ATOM 379 CE2 TRP A 73 57.117 -2.708 -9.874 1.00 0.00 C ATOM 380 CE3 TRP A 73 57.377 -4.568 -11.392 1.00 0.00 C ATOM 381 CZ2 TRP A 73 56.588 -1.904 -10.877 1.00 0.00 C ATOM 382 CZ3 TRP A 73 56.850 -3.767 -12.388 1.00 0.00 C ATOM 383 CH2 TRP A 73 56.461 -2.448 -12.125 1.00 0.00 C ATOM 0 H TRP A 73 59.842 -4.425 -7.115 1.00 0.00 H new ATOM 0 HA TRP A 73 60.335 -7.018 -8.165 1.00 0.00 H new ATOM 0 HB2 TRP A 73 58.237 -6.585 -9.427 1.00 0.00 H new ATOM 0 HB3 TRP A 73 58.091 -6.324 -7.700 1.00 0.00 H new ATOM 0 HD1 TRP A 73 58.156 -3.613 -6.910 1.00 0.00 H new ATOM 0 HE1 TRP A 73 57.172 -1.537 -8.095 1.00 0.00 H new ATOM 0 HE3 TRP A 73 57.674 -5.584 -11.604 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 56.288 -0.886 -10.678 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 56.737 -4.165 -13.385 1.00 0.00 H new ATOM 0 HH2 TRP A 73 56.052 -1.848 -12.924 1.00 0.00 H new ATOM 394 N ARG A 74 61.188 -4.461 -9.969 1.00 0.00 N ATOM 395 CA ARG A 74 61.878 -4.063 -11.188 1.00 0.00 C ATOM 396 C ARG A 74 63.382 -4.069 -10.943 1.00 0.00 C ATOM 397 O ARG A 74 64.125 -3.269 -11.510 1.00 0.00 O ATOM 398 CB ARG A 74 61.420 -2.672 -11.636 1.00 0.00 C ATOM 399 CG ARG A 74 59.969 -2.625 -12.088 1.00 0.00 C ATOM 400 CD ARG A 74 59.805 -1.798 -13.352 1.00 0.00 C ATOM 401 NE ARG A 74 60.684 -2.259 -14.424 1.00 0.00 N ATOM 402 CZ ARG A 74 60.444 -3.338 -15.167 1.00 0.00 C ATOM 403 NH1 ARG A 74 59.352 -4.064 -14.963 1.00 0.00 N ATOM 404 NH2 ARG A 74 61.300 -3.691 -16.118 1.00 0.00 N ATOM 0 H ARG A 74 61.083 -3.718 -9.279 1.00 0.00 H new ATOM 0 HA ARG A 74 61.638 -4.772 -11.980 1.00 0.00 H new ATOM 0 HB2 ARG A 74 61.558 -1.971 -10.813 1.00 0.00 H new ATOM 0 HB3 ARG A 74 62.057 -2.334 -12.453 1.00 0.00 H new ATOM 0 HG2 ARG A 74 59.609 -3.638 -12.266 1.00 0.00 H new ATOM 0 HG3 ARG A 74 59.353 -2.203 -11.294 1.00 0.00 H new ATOM 0 HD2 ARG A 74 58.769 -1.848 -13.686 1.00 0.00 H new ATOM 0 HD3 ARG A 74 60.019 -0.752 -13.132 1.00 0.00 H new ATOM 0 HE ARG A 74 61.531 -1.723 -14.615 1.00 0.00 H new ATOM 0 HH11 ARG A 74 58.691 -3.797 -14.234 1.00 0.00 H new ATOM 0 HH12 ARG A 74 59.174 -4.889 -15.535 1.00 0.00 H new ATOM 0 HH21 ARG A 74 62.141 -3.136 -16.279 1.00 0.00 H new ATOM 0 HH22 ARG A 74 61.117 -4.517 -16.688 1.00 0.00 H new ATOM 418 N GLN A 75 63.810 -4.972 -10.061 1.00 0.00 N ATOM 419 CA GLN A 75 65.214 -5.095 -9.686 1.00 0.00 C ATOM 420 C GLN A 75 65.593 -3.960 -8.754 1.00 0.00 C ATOM 421 O GLN A 75 64.799 -3.553 -7.907 1.00 0.00 O ATOM 422 CB GLN A 75 66.137 -5.091 -10.905 1.00 0.00 C ATOM 423 CG GLN A 75 65.729 -6.075 -11.990 1.00 0.00 C ATOM 424 CD GLN A 75 66.680 -6.072 -13.170 1.00 0.00 C ATOM 425 OE1 GLN A 75 67.214 -5.030 -13.550 1.00 0.00 O ATOM 426 NE2 GLN A 75 66.896 -7.242 -13.759 1.00 0.00 N ATOM 0 H GLN A 75 63.195 -5.635 -9.590 1.00 0.00 H new ATOM 0 HA GLN A 75 65.339 -6.053 -9.181 1.00 0.00 H new ATOM 0 HB2 GLN A 75 66.159 -4.087 -11.328 1.00 0.00 H new ATOM 0 HB3 GLN A 75 67.152 -5.323 -10.581 1.00 0.00 H new ATOM 0 HG2 GLN A 75 65.685 -7.078 -11.567 1.00 0.00 H new ATOM 0 HG3 GLN A 75 64.725 -5.831 -12.337 1.00 0.00 H new ATOM 0 HE21 GLN A 75 66.432 -8.081 -13.411 1.00 0.00 H new ATOM 0 HE22 GLN A 75 67.526 -7.302 -14.559 1.00 0.00 H new ATOM 435 N GLU A 76 66.806 -3.447 -8.914 1.00 0.00 N ATOM 436 CA GLU A 76 67.274 -2.365 -8.087 1.00 0.00 C ATOM 437 C GLU A 76 67.311 -2.785 -6.645 1.00 0.00 C ATOM 438 O GLU A 76 66.327 -3.265 -6.108 1.00 0.00 O ATOM 439 CB GLU A 76 66.397 -1.124 -8.264 1.00 0.00 C ATOM 440 CG GLU A 76 67.188 0.152 -8.502 1.00 0.00 C ATOM 441 CD GLU A 76 66.329 1.397 -8.399 1.00 0.00 C ATOM 442 OE1 GLU A 76 65.470 1.601 -9.281 1.00 0.00 O ATOM 443 OE2 GLU A 76 66.516 2.169 -7.434 1.00 0.00 O ATOM 0 H GLU A 76 67.477 -3.769 -9.612 1.00 0.00 H new ATOM 0 HA GLU A 76 68.287 -2.110 -8.400 1.00 0.00 H new ATOM 0 HB2 GLU A 76 65.721 -1.284 -9.104 1.00 0.00 H new ATOM 0 HB3 GLU A 76 65.778 -0.997 -7.376 1.00 0.00 H new ATOM 0 HG2 GLU A 76 67.999 0.213 -7.776 1.00 0.00 H new ATOM 0 HG3 GLU A 76 67.647 0.112 -9.490 1.00 0.00 H new ATOM 450 N LYS A 77 68.464 -2.597 -6.042 1.00 0.00 N ATOM 451 CA LYS A 77 68.673 -2.964 -4.648 1.00 0.00 C ATOM 452 C LYS A 77 69.148 -1.759 -3.846 1.00 0.00 C ATOM 453 O LYS A 77 70.087 -1.062 -4.231 1.00 0.00 O ATOM 454 CB LYS A 77 69.694 -4.099 -4.545 1.00 0.00 C ATOM 455 CG LYS A 77 71.015 -3.791 -5.233 1.00 0.00 C ATOM 456 CD LYS A 77 71.032 -4.295 -6.668 1.00 0.00 C ATOM 457 CE LYS A 77 71.928 -5.515 -6.821 1.00 0.00 C ATOM 458 NZ LYS A 77 73.363 -5.181 -6.614 1.00 0.00 N ATOM 0 H LYS A 77 69.281 -2.189 -6.495 1.00 0.00 H new ATOM 0 HA LYS A 77 67.724 -3.306 -4.235 1.00 0.00 H new ATOM 0 HB2 LYS A 77 69.883 -4.313 -3.493 1.00 0.00 H new ATOM 0 HB3 LYS A 77 69.267 -5.002 -4.982 1.00 0.00 H new ATOM 0 HG2 LYS A 77 71.188 -2.715 -5.223 1.00 0.00 H new ATOM 0 HG3 LYS A 77 71.831 -4.251 -4.676 1.00 0.00 H new ATOM 0 HD2 LYS A 77 70.018 -4.546 -6.978 1.00 0.00 H new ATOM 0 HD3 LYS A 77 71.380 -3.501 -7.329 1.00 0.00 H new ATOM 0 HE2 LYS A 77 71.626 -6.279 -6.104 1.00 0.00 H new ATOM 0 HE3 LYS A 77 71.794 -5.941 -7.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 73.957 -5.900 -7.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 73.566 -4.249 -7.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 73.571 -5.160 -5.595 1.00 0.00 H new ATOM 472 N ILE A 78 68.446 -1.507 -2.748 1.00 0.00 N ATOM 473 CA ILE A 78 68.721 -0.370 -1.881 1.00 0.00 C ATOM 474 C ILE A 78 69.746 -0.697 -0.795 1.00 0.00 C ATOM 475 O ILE A 78 70.057 -1.859 -0.545 1.00 0.00 O ATOM 476 CB ILE A 78 67.409 0.105 -1.227 1.00 0.00 C ATOM 477 CG1 ILE A 78 66.288 0.150 -2.273 1.00 0.00 C ATOM 478 CG2 ILE A 78 67.595 1.463 -0.575 1.00 0.00 C ATOM 479 CD1 ILE A 78 64.993 0.746 -1.762 1.00 0.00 C ATOM 0 H ILE A 78 67.668 -2.087 -2.434 1.00 0.00 H new ATOM 0 HA ILE A 78 69.146 0.419 -2.501 1.00 0.00 H new ATOM 0 HB ILE A 78 67.129 -0.604 -0.448 1.00 0.00 H new ATOM 0 HG12 ILE A 78 66.629 0.729 -3.131 1.00 0.00 H new ATOM 0 HG13 ILE A 78 66.095 -0.862 -2.628 1.00 0.00 H new ATOM 0 HG21 ILE A 78 66.657 1.779 -0.119 1.00 0.00 H new ATOM 0 HG22 ILE A 78 68.366 1.396 0.192 1.00 0.00 H new ATOM 0 HG23 ILE A 78 67.896 2.190 -1.329 1.00 0.00 H new ATOM 0 HD11 ILE A 78 64.251 0.742 -2.560 1.00 0.00 H new ATOM 0 HD12 ILE A 78 64.626 0.155 -0.923 1.00 0.00 H new ATOM 0 HD13 ILE A 78 65.168 1.771 -1.434 1.00 0.00 H new ATOM 491 N THR A 79 70.268 0.348 -0.156 1.00 0.00 N ATOM 492 CA THR A 79 71.256 0.185 0.905 1.00 0.00 C ATOM 493 C THR A 79 71.320 1.434 1.784 1.00 0.00 C ATOM 494 O THR A 79 72.399 1.972 2.036 1.00 0.00 O ATOM 495 CB THR A 79 72.632 -0.110 0.305 1.00 0.00 C ATOM 496 OG1 THR A 79 72.536 -1.097 -0.706 1.00 0.00 O ATOM 497 CG2 THR A 79 73.639 -0.594 1.325 1.00 0.00 C ATOM 0 H THR A 79 70.022 1.317 -0.356 1.00 0.00 H new ATOM 0 HA THR A 79 70.954 -0.657 1.528 1.00 0.00 H new ATOM 0 HB THR A 79 72.980 0.840 -0.101 1.00 0.00 H new ATOM 0 HG1 THR A 79 71.799 -1.708 -0.497 1.00 0.00 H new ATOM 0 HG21 THR A 79 74.593 -0.784 0.833 1.00 0.00 H new ATOM 0 HG22 THR A 79 73.773 0.167 2.094 1.00 0.00 H new ATOM 0 HG23 THR A 79 73.278 -1.514 1.785 1.00 0.00 H new ATOM 505 N ARG A 80 70.158 1.891 2.248 1.00 0.00 N ATOM 506 CA ARG A 80 70.085 3.080 3.098 1.00 0.00 C ATOM 507 C ARG A 80 69.848 2.699 4.556 1.00 0.00 C ATOM 508 O ARG A 80 69.349 1.613 4.851 1.00 0.00 O ATOM 509 CB ARG A 80 68.965 4.023 2.631 1.00 0.00 C ATOM 510 CG ARG A 80 68.455 3.740 1.229 1.00 0.00 C ATOM 511 CD ARG A 80 67.934 4.999 0.554 1.00 0.00 C ATOM 512 NE ARG A 80 66.932 4.694 -0.465 1.00 0.00 N ATOM 513 CZ ARG A 80 66.425 5.593 -1.305 1.00 0.00 C ATOM 514 NH1 ARG A 80 66.819 6.860 -1.248 1.00 0.00 N ATOM 515 NH2 ARG A 80 65.519 5.227 -2.201 1.00 0.00 N ATOM 0 H ARG A 80 69.256 1.458 2.051 1.00 0.00 H new ATOM 0 HA ARG A 80 71.042 3.595 3.016 1.00 0.00 H new ATOM 0 HB2 ARG A 80 68.131 3.952 3.330 1.00 0.00 H new ATOM 0 HB3 ARG A 80 69.329 5.050 2.672 1.00 0.00 H new ATOM 0 HG2 ARG A 80 69.258 3.312 0.629 1.00 0.00 H new ATOM 0 HG3 ARG A 80 67.660 2.996 1.275 1.00 0.00 H new ATOM 0 HD2 ARG A 80 67.500 5.660 1.304 1.00 0.00 H new ATOM 0 HD3 ARG A 80 68.765 5.537 0.097 1.00 0.00 H new ATOM 0 HE ARG A 80 66.601 3.732 -0.537 1.00 0.00 H new ATOM 0 HH11 ARG A 80 67.513 7.148 -0.558 1.00 0.00 H new ATOM 0 HH12 ARG A 80 66.427 7.545 -1.894 1.00 0.00 H new ATOM 0 HH21 ARG A 80 65.210 4.256 -2.247 1.00 0.00 H new ATOM 0 HH22 ARG A 80 65.131 5.916 -2.845 1.00 0.00 H new ATOM 529 N THR A 81 70.198 3.607 5.462 1.00 0.00 N ATOM 530 CA THR A 81 70.012 3.375 6.888 1.00 0.00 C ATOM 531 C THR A 81 68.643 3.877 7.335 1.00 0.00 C ATOM 532 O THR A 81 67.920 4.505 6.561 1.00 0.00 O ATOM 533 CB THR A 81 71.117 4.066 7.693 1.00 0.00 C ATOM 534 OG1 THR A 81 72.112 4.593 6.834 1.00 0.00 O ATOM 535 CG2 THR A 81 71.805 3.144 8.677 1.00 0.00 C ATOM 0 H THR A 81 70.612 4.510 5.232 1.00 0.00 H new ATOM 0 HA THR A 81 70.068 2.302 7.071 1.00 0.00 H new ATOM 0 HB THR A 81 70.615 4.858 8.248 1.00 0.00 H new ATOM 0 HG1 THR A 81 72.807 5.031 7.368 1.00 0.00 H new ATOM 0 HG21 THR A 81 72.576 3.696 9.214 1.00 0.00 H new ATOM 0 HG22 THR A 81 71.073 2.759 9.387 1.00 0.00 H new ATOM 0 HG23 THR A 81 72.261 2.313 8.139 1.00 0.00 H new ATOM 543 N LYS A 82 68.287 3.593 8.585 1.00 0.00 N ATOM 544 CA LYS A 82 66.998 4.014 9.126 1.00 0.00 C ATOM 545 C LYS A 82 66.772 5.508 8.900 1.00 0.00 C ATOM 546 O LYS A 82 65.705 5.923 8.448 1.00 0.00 O ATOM 547 CB LYS A 82 66.903 3.676 10.619 1.00 0.00 C ATOM 548 CG LYS A 82 67.830 4.490 11.513 1.00 0.00 C ATOM 549 CD LYS A 82 69.286 4.089 11.326 1.00 0.00 C ATOM 550 CE LYS A 82 70.161 4.631 12.444 1.00 0.00 C ATOM 551 NZ LYS A 82 71.609 4.398 12.180 1.00 0.00 N ATOM 0 H LYS A 82 68.871 3.074 9.241 1.00 0.00 H new ATOM 0 HA LYS A 82 66.216 3.469 8.597 1.00 0.00 H new ATOM 0 HB2 LYS A 82 65.875 3.829 10.948 1.00 0.00 H new ATOM 0 HB3 LYS A 82 67.127 2.618 10.754 1.00 0.00 H new ATOM 0 HG2 LYS A 82 67.713 5.550 11.289 1.00 0.00 H new ATOM 0 HG3 LYS A 82 67.545 4.351 12.556 1.00 0.00 H new ATOM 0 HD2 LYS A 82 69.364 3.002 11.296 1.00 0.00 H new ATOM 0 HD3 LYS A 82 69.647 4.461 10.367 1.00 0.00 H new ATOM 0 HE2 LYS A 82 69.981 5.700 12.560 1.00 0.00 H new ATOM 0 HE3 LYS A 82 69.883 4.157 13.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 72.171 4.782 12.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 71.786 3.377 12.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 71.881 4.872 11.295 1.00 0.00 H new ATOM 565 N GLU A 83 67.784 6.308 9.214 1.00 0.00 N ATOM 566 CA GLU A 83 67.699 7.753 9.042 1.00 0.00 C ATOM 567 C GLU A 83 67.616 8.127 7.564 1.00 0.00 C ATOM 568 O GLU A 83 66.873 9.031 7.182 1.00 0.00 O ATOM 569 CB GLU A 83 68.906 8.432 9.692 1.00 0.00 C ATOM 570 CG GLU A 83 68.612 9.005 11.068 1.00 0.00 C ATOM 571 CD GLU A 83 68.020 7.977 12.014 1.00 0.00 C ATOM 572 OE1 GLU A 83 66.837 7.621 11.836 1.00 0.00 O ATOM 573 OE2 GLU A 83 68.741 7.527 12.930 1.00 0.00 O ATOM 0 H GLU A 83 68.674 5.980 9.589 1.00 0.00 H new ATOM 0 HA GLU A 83 66.788 8.100 9.530 1.00 0.00 H new ATOM 0 HB2 GLU A 83 69.718 7.710 9.774 1.00 0.00 H new ATOM 0 HB3 GLU A 83 69.256 9.233 9.041 1.00 0.00 H new ATOM 0 HG2 GLU A 83 69.533 9.400 11.497 1.00 0.00 H new ATOM 0 HG3 GLU A 83 67.921 9.842 10.969 1.00 0.00 H new ATOM 580 N GLU A 84 68.394 7.431 6.738 1.00 0.00 N ATOM 581 CA GLU A 84 68.418 7.695 5.302 1.00 0.00 C ATOM 582 C GLU A 84 67.077 7.368 4.650 1.00 0.00 C ATOM 583 O GLU A 84 66.507 8.193 3.936 1.00 0.00 O ATOM 584 CB GLU A 84 69.534 6.887 4.632 1.00 0.00 C ATOM 585 CG GLU A 84 70.855 6.930 5.386 1.00 0.00 C ATOM 586 CD GLU A 84 71.301 8.343 5.707 1.00 0.00 C ATOM 587 OE1 GLU A 84 70.554 9.057 6.411 1.00 0.00 O ATOM 588 OE2 GLU A 84 72.398 8.736 5.257 1.00 0.00 O ATOM 0 H GLU A 84 69.016 6.680 7.039 1.00 0.00 H new ATOM 0 HA GLU A 84 68.610 8.759 5.165 1.00 0.00 H new ATOM 0 HB2 GLU A 84 69.213 5.850 4.537 1.00 0.00 H new ATOM 0 HB3 GLU A 84 69.689 7.266 3.622 1.00 0.00 H new ATOM 0 HG2 GLU A 84 70.758 6.365 6.313 1.00 0.00 H new ATOM 0 HG3 GLU A 84 71.624 6.437 4.791 1.00 0.00 H new ATOM 595 N ALA A 85 66.579 6.161 4.892 1.00 0.00 N ATOM 596 CA ALA A 85 65.311 5.731 4.319 1.00 0.00 C ATOM 597 C ALA A 85 64.171 6.651 4.749 1.00 0.00 C ATOM 598 O ALA A 85 63.461 7.210 3.913 1.00 0.00 O ATOM 599 CB ALA A 85 65.011 4.293 4.718 1.00 0.00 C ATOM 0 H ALA A 85 67.034 5.464 5.481 1.00 0.00 H new ATOM 0 HA ALA A 85 65.396 5.785 3.234 1.00 0.00 H new ATOM 0 HB1 ALA A 85 64.060 3.985 4.283 1.00 0.00 H new ATOM 0 HB2 ALA A 85 65.805 3.641 4.354 1.00 0.00 H new ATOM 0 HB3 ALA A 85 64.953 4.221 5.804 1.00 0.00 H new ATOM 605 N LEU A 86 64.002 6.801 6.057 1.00 0.00 N ATOM 606 CA LEU A 86 62.947 7.652 6.599 1.00 0.00 C ATOM 607 C LEU A 86 63.082 9.085 6.091 1.00 0.00 C ATOM 608 O LEU A 86 62.098 9.823 6.030 1.00 0.00 O ATOM 609 CB LEU A 86 62.981 7.632 8.129 1.00 0.00 C ATOM 610 CG LEU A 86 61.971 8.557 8.813 1.00 0.00 C ATOM 611 CD1 LEU A 86 60.938 7.748 9.582 1.00 0.00 C ATOM 612 CD2 LEU A 86 62.680 9.534 9.739 1.00 0.00 C ATOM 0 H LEU A 86 64.581 6.345 6.763 1.00 0.00 H new ATOM 0 HA LEU A 86 61.989 7.258 6.259 1.00 0.00 H new ATOM 0 HB2 LEU A 86 62.803 6.611 8.468 1.00 0.00 H new ATOM 0 HB3 LEU A 86 63.983 7.907 8.458 1.00 0.00 H new ATOM 0 HG LEU A 86 61.455 9.128 8.041 1.00 0.00 H new ATOM 0 HD11 LEU A 86 60.229 8.424 10.061 1.00 0.00 H new ATOM 0 HD12 LEU A 86 60.405 7.091 8.895 1.00 0.00 H new ATOM 0 HD13 LEU A 86 61.438 7.148 10.343 1.00 0.00 H new ATOM 0 HD21 LEU A 86 61.945 10.183 10.215 1.00 0.00 H new ATOM 0 HD22 LEU A 86 63.225 8.980 10.504 1.00 0.00 H new ATOM 0 HD23 LEU A 86 63.379 10.140 9.162 1.00 0.00 H new ATOM 624 N GLU A 87 64.301 9.474 5.725 1.00 0.00 N ATOM 625 CA GLU A 87 64.552 10.820 5.222 1.00 0.00 C ATOM 626 C GLU A 87 63.852 11.043 3.886 1.00 0.00 C ATOM 627 O GLU A 87 63.243 12.089 3.662 1.00 0.00 O ATOM 628 CB GLU A 87 66.055 11.059 5.063 1.00 0.00 C ATOM 629 CG GLU A 87 66.398 12.464 4.593 1.00 0.00 C ATOM 630 CD GLU A 87 67.874 12.633 4.293 1.00 0.00 C ATOM 631 OE1 GLU A 87 68.374 11.958 3.369 1.00 0.00 O ATOM 632 OE2 GLU A 87 68.530 13.443 4.981 1.00 0.00 O ATOM 0 H GLU A 87 65.127 8.878 5.767 1.00 0.00 H new ATOM 0 HA GLU A 87 64.151 11.528 5.947 1.00 0.00 H new ATOM 0 HB2 GLU A 87 66.548 10.873 6.017 1.00 0.00 H new ATOM 0 HB3 GLU A 87 66.457 10.338 4.351 1.00 0.00 H new ATOM 0 HG2 GLU A 87 65.820 12.695 3.698 1.00 0.00 H new ATOM 0 HG3 GLU A 87 66.102 13.182 5.358 1.00 0.00 H new ATOM 639 N LEU A 88 63.946 10.055 3.001 1.00 0.00 N ATOM 640 CA LEU A 88 63.320 10.154 1.687 1.00 0.00 C ATOM 641 C LEU A 88 61.804 10.191 1.820 1.00 0.00 C ATOM 642 O LEU A 88 61.140 11.048 1.239 1.00 0.00 O ATOM 643 CB LEU A 88 63.729 8.977 0.791 1.00 0.00 C ATOM 644 CG LEU A 88 65.236 8.681 0.685 1.00 0.00 C ATOM 645 CD1 LEU A 88 66.080 9.812 1.258 1.00 0.00 C ATOM 646 CD2 LEU A 88 65.565 7.375 1.386 1.00 0.00 C ATOM 0 H LEU A 88 64.446 9.182 3.168 1.00 0.00 H new ATOM 0 HA LEU A 88 63.663 11.080 1.225 1.00 0.00 H new ATOM 0 HB2 LEU A 88 63.231 8.080 1.159 1.00 0.00 H new ATOM 0 HB3 LEU A 88 63.347 9.165 -0.213 1.00 0.00 H new ATOM 0 HG LEU A 88 65.479 8.594 -0.374 1.00 0.00 H new ATOM 0 HD11 LEU A 88 67.137 9.562 1.163 1.00 0.00 H new ATOM 0 HD12 LEU A 88 65.874 10.732 0.711 1.00 0.00 H new ATOM 0 HD13 LEU A 88 65.834 9.952 2.310 1.00 0.00 H new ATOM 0 HD21 LEU A 88 66.634 7.177 1.304 1.00 0.00 H new ATOM 0 HD22 LEU A 88 65.289 7.447 2.438 1.00 0.00 H new ATOM 0 HD23 LEU A 88 65.009 6.562 0.920 1.00 0.00 H new ATOM 658 N ILE A 89 61.260 9.255 2.593 1.00 0.00 N ATOM 659 CA ILE A 89 59.820 9.184 2.804 1.00 0.00 C ATOM 660 C ILE A 89 59.290 10.519 3.337 1.00 0.00 C ATOM 661 O ILE A 89 58.327 11.070 2.806 1.00 0.00 O ATOM 662 CB ILE A 89 59.457 8.012 3.761 1.00 0.00 C ATOM 663 CG1 ILE A 89 58.621 6.953 3.022 1.00 0.00 C ATOM 664 CG2 ILE A 89 58.730 8.496 5.012 1.00 0.00 C ATOM 665 CD1 ILE A 89 59.413 6.181 1.986 1.00 0.00 C ATOM 0 H ILE A 89 61.795 8.537 3.082 1.00 0.00 H new ATOM 0 HA ILE A 89 59.340 8.988 1.845 1.00 0.00 H new ATOM 0 HB ILE A 89 60.392 7.558 4.088 1.00 0.00 H new ATOM 0 HG12 ILE A 89 58.208 6.254 3.749 1.00 0.00 H new ATOM 0 HG13 ILE A 89 57.777 7.441 2.535 1.00 0.00 H new ATOM 0 HG21 ILE A 89 58.497 7.644 5.650 1.00 0.00 H new ATOM 0 HG22 ILE A 89 59.367 9.193 5.556 1.00 0.00 H new ATOM 0 HG23 ILE A 89 57.806 8.998 4.725 1.00 0.00 H new ATOM 0 HD11 ILE A 89 58.764 5.451 1.502 1.00 0.00 H new ATOM 0 HD12 ILE A 89 59.804 6.871 1.238 1.00 0.00 H new ATOM 0 HD13 ILE A 89 60.241 5.665 2.472 1.00 0.00 H new ATOM 677 N ASN A 90 59.936 11.043 4.376 1.00 0.00 N ATOM 678 CA ASN A 90 59.531 12.320 4.960 1.00 0.00 C ATOM 679 C ASN A 90 59.517 13.419 3.898 1.00 0.00 C ATOM 680 O ASN A 90 58.513 14.112 3.719 1.00 0.00 O ATOM 681 CB ASN A 90 60.472 12.704 6.106 1.00 0.00 C ATOM 682 CG ASN A 90 60.126 14.048 6.721 1.00 0.00 C ATOM 683 OD1 ASN A 90 61.004 14.869 6.980 1.00 0.00 O ATOM 684 ND2 ASN A 90 58.839 14.277 6.958 1.00 0.00 N ATOM 0 H ASN A 90 60.738 10.606 4.829 1.00 0.00 H new ATOM 0 HA ASN A 90 58.522 12.210 5.356 1.00 0.00 H new ATOM 0 HB2 ASN A 90 60.432 11.935 6.877 1.00 0.00 H new ATOM 0 HB3 ASN A 90 61.497 12.731 5.736 1.00 0.00 H new ATOM 0 HD21 ASN A 90 58.546 15.163 7.371 1.00 0.00 H new ATOM 0 HD22 ASN A 90 58.144 13.567 6.727 1.00 0.00 H new ATOM 691 N GLY A 91 60.633 13.567 3.184 1.00 0.00 N ATOM 692 CA GLY A 91 60.714 14.576 2.144 1.00 0.00 C ATOM 693 C GLY A 91 59.588 14.442 1.138 1.00 0.00 C ATOM 694 O GLY A 91 59.101 15.436 0.602 1.00 0.00 O ATOM 0 H GLY A 91 61.477 13.008 3.308 1.00 0.00 H new ATOM 0 HA2 GLY A 91 60.681 15.567 2.596 1.00 0.00 H new ATOM 0 HA3 GLY A 91 61.672 14.492 1.630 1.00 0.00 H new ATOM 698 N TYR A 92 59.165 13.203 0.898 1.00 0.00 N ATOM 699 CA TYR A 92 58.077 12.937 -0.035 1.00 0.00 C ATOM 700 C TYR A 92 56.774 13.512 0.503 1.00 0.00 C ATOM 701 O TYR A 92 55.979 14.084 -0.241 1.00 0.00 O ATOM 702 CB TYR A 92 57.918 11.430 -0.261 1.00 0.00 C ATOM 703 CG TYR A 92 59.115 10.768 -0.913 1.00 0.00 C ATOM 704 CD1 TYR A 92 59.961 11.481 -1.755 1.00 0.00 C ATOM 705 CD2 TYR A 92 59.394 9.425 -0.688 1.00 0.00 C ATOM 706 CE1 TYR A 92 61.049 10.874 -2.353 1.00 0.00 C ATOM 707 CE2 TYR A 92 60.482 8.812 -1.282 1.00 0.00 C ATOM 708 CZ TYR A 92 61.305 9.542 -2.113 1.00 0.00 C ATOM 709 OH TYR A 92 62.388 8.937 -2.707 1.00 0.00 O ATOM 0 H TYR A 92 59.559 12.370 1.336 1.00 0.00 H new ATOM 0 HA TYR A 92 58.317 13.413 -0.986 1.00 0.00 H new ATOM 0 HB2 TYR A 92 57.729 10.948 0.698 1.00 0.00 H new ATOM 0 HB3 TYR A 92 57.039 11.258 -0.883 1.00 0.00 H new ATOM 0 HD1 TYR A 92 59.765 12.526 -1.945 1.00 0.00 H new ATOM 0 HD2 TYR A 92 58.750 8.851 -0.038 1.00 0.00 H new ATOM 0 HE1 TYR A 92 61.696 11.442 -3.006 1.00 0.00 H new ATOM 0 HE2 TYR A 92 60.686 7.768 -1.096 1.00 0.00 H new ATOM 0 HH TYR A 92 62.231 8.860 -3.671 1.00 0.00 H new ATOM 719 N ILE A 93 56.564 13.355 1.805 1.00 0.00 N ATOM 720 CA ILE A 93 55.358 13.855 2.451 1.00 0.00 C ATOM 721 C ILE A 93 55.198 15.358 2.224 1.00 0.00 C ATOM 722 O ILE A 93 54.104 15.836 1.917 1.00 0.00 O ATOM 723 CB ILE A 93 55.362 13.542 3.972 1.00 0.00 C ATOM 724 CG1 ILE A 93 54.064 12.833 4.373 1.00 0.00 C ATOM 725 CG2 ILE A 93 55.556 14.808 4.804 1.00 0.00 C ATOM 726 CD1 ILE A 93 54.260 11.385 4.769 1.00 0.00 C ATOM 0 H ILE A 93 57.215 12.885 2.434 1.00 0.00 H new ATOM 0 HA ILE A 93 54.509 13.342 1.998 1.00 0.00 H new ATOM 0 HB ILE A 93 56.204 12.880 4.174 1.00 0.00 H new ATOM 0 HG12 ILE A 93 53.609 13.370 5.205 1.00 0.00 H new ATOM 0 HG13 ILE A 93 53.362 12.881 3.541 1.00 0.00 H new ATOM 0 HG21 ILE A 93 55.554 14.551 5.863 1.00 0.00 H new ATOM 0 HG22 ILE A 93 56.508 15.271 4.545 1.00 0.00 H new ATOM 0 HG23 ILE A 93 54.745 15.506 4.598 1.00 0.00 H new ATOM 0 HD11 ILE A 93 53.299 10.949 5.040 1.00 0.00 H new ATOM 0 HD12 ILE A 93 54.686 10.833 3.931 1.00 0.00 H new ATOM 0 HD13 ILE A 93 54.937 11.329 5.622 1.00 0.00 H new ATOM 738 N GLN A 94 56.290 16.097 2.391 1.00 0.00 N ATOM 739 CA GLN A 94 56.271 17.547 2.220 1.00 0.00 C ATOM 740 C GLN A 94 55.976 17.940 0.773 1.00 0.00 C ATOM 741 O GLN A 94 54.950 18.555 0.484 1.00 0.00 O ATOM 742 CB GLN A 94 57.609 18.145 2.658 1.00 0.00 C ATOM 743 CG GLN A 94 57.611 19.665 2.717 1.00 0.00 C ATOM 744 CD GLN A 94 57.357 20.195 4.115 1.00 0.00 C ATOM 745 OE1 GLN A 94 58.247 20.183 4.965 1.00 0.00 O ATOM 746 NE2 GLN A 94 56.139 20.663 4.361 1.00 0.00 N ATOM 0 H GLN A 94 57.201 15.716 2.645 1.00 0.00 H new ATOM 0 HA GLN A 94 55.471 17.944 2.845 1.00 0.00 H new ATOM 0 HB2 GLN A 94 57.868 17.752 3.641 1.00 0.00 H new ATOM 0 HB3 GLN A 94 58.387 17.816 1.969 1.00 0.00 H new ATOM 0 HG2 GLN A 94 58.571 20.037 2.360 1.00 0.00 H new ATOM 0 HG3 GLN A 94 56.848 20.052 2.042 1.00 0.00 H new ATOM 0 HE21 GLN A 94 55.431 20.654 3.627 1.00 0.00 H new ATOM 0 HE22 GLN A 94 55.911 21.032 5.284 1.00 0.00 H new ATOM 755 N LYS A 95 56.890 17.592 -0.127 1.00 0.00 N ATOM 756 CA LYS A 95 56.747 17.918 -1.547 1.00 0.00 C ATOM 757 C LYS A 95 55.354 17.576 -2.078 1.00 0.00 C ATOM 758 O LYS A 95 54.702 18.403 -2.720 1.00 0.00 O ATOM 759 CB LYS A 95 57.807 17.179 -2.364 1.00 0.00 C ATOM 760 CG LYS A 95 59.228 17.419 -1.874 1.00 0.00 C ATOM 761 CD LYS A 95 59.981 18.383 -2.780 1.00 0.00 C ATOM 762 CE LYS A 95 61.315 17.805 -3.225 1.00 0.00 C ATOM 763 NZ LYS A 95 62.120 18.795 -3.994 1.00 0.00 N ATOM 0 H LYS A 95 57.743 17.081 0.101 1.00 0.00 H new ATOM 0 HA LYS A 95 56.886 18.994 -1.649 1.00 0.00 H new ATOM 0 HB2 LYS A 95 57.597 16.110 -2.335 1.00 0.00 H new ATOM 0 HB3 LYS A 95 57.733 17.490 -3.406 1.00 0.00 H new ATOM 0 HG2 LYS A 95 59.201 17.819 -0.860 1.00 0.00 H new ATOM 0 HG3 LYS A 95 59.762 16.470 -1.828 1.00 0.00 H new ATOM 0 HD2 LYS A 95 59.373 18.612 -3.655 1.00 0.00 H new ATOM 0 HD3 LYS A 95 60.148 19.323 -2.254 1.00 0.00 H new ATOM 0 HE2 LYS A 95 61.879 17.479 -2.351 1.00 0.00 H new ATOM 0 HE3 LYS A 95 61.141 16.922 -3.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 63.083 18.427 -4.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 61.675 18.960 -4.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 62.165 19.690 -3.467 1.00 0.00 H new ATOM 777 N ILE A 96 54.902 16.356 -1.817 1.00 0.00 N ATOM 778 CA ILE A 96 53.591 15.918 -2.279 1.00 0.00 C ATOM 779 C ILE A 96 52.485 16.786 -1.689 1.00 0.00 C ATOM 780 O ILE A 96 51.654 17.330 -2.419 1.00 0.00 O ATOM 781 CB ILE A 96 53.334 14.441 -1.922 1.00 0.00 C ATOM 782 CG1 ILE A 96 54.413 13.557 -2.549 1.00 0.00 C ATOM 783 CG2 ILE A 96 51.952 14.006 -2.390 1.00 0.00 C ATOM 784 CD1 ILE A 96 54.533 12.195 -1.898 1.00 0.00 C ATOM 0 H ILE A 96 55.422 15.654 -1.290 1.00 0.00 H new ATOM 0 HA ILE A 96 53.582 16.021 -3.364 1.00 0.00 H new ATOM 0 HB ILE A 96 53.374 14.333 -0.838 1.00 0.00 H new ATOM 0 HG12 ILE A 96 54.194 13.426 -3.609 1.00 0.00 H new ATOM 0 HG13 ILE A 96 55.373 14.068 -2.483 1.00 0.00 H new ATOM 0 HG21 ILE A 96 51.792 12.960 -2.128 1.00 0.00 H new ATOM 0 HG22 ILE A 96 51.194 14.622 -1.907 1.00 0.00 H new ATOM 0 HG23 ILE A 96 51.880 14.124 -3.471 1.00 0.00 H new ATOM 0 HD11 ILE A 96 55.317 11.623 -2.394 1.00 0.00 H new ATOM 0 HD12 ILE A 96 54.783 12.316 -0.844 1.00 0.00 H new ATOM 0 HD13 ILE A 96 53.585 11.664 -1.987 1.00 0.00 H new ATOM 796 N LYS A 97 52.478 16.918 -0.369 1.00 0.00 N ATOM 797 CA LYS A 97 51.473 17.724 0.309 1.00 0.00 C ATOM 798 C LYS A 97 51.646 19.208 -0.012 1.00 0.00 C ATOM 799 O LYS A 97 50.751 20.015 0.244 1.00 0.00 O ATOM 800 CB LYS A 97 51.544 17.502 1.821 1.00 0.00 C ATOM 801 CG LYS A 97 50.859 16.224 2.282 1.00 0.00 C ATOM 802 CD LYS A 97 49.411 16.164 1.817 1.00 0.00 C ATOM 803 CE LYS A 97 48.636 15.075 2.542 1.00 0.00 C ATOM 804 NZ LYS A 97 47.851 14.227 1.602 1.00 0.00 N ATOM 0 H LYS A 97 53.156 16.478 0.252 1.00 0.00 H new ATOM 0 HA LYS A 97 50.493 17.410 -0.051 1.00 0.00 H new ATOM 0 HB2 LYS A 97 52.590 17.474 2.127 1.00 0.00 H new ATOM 0 HB3 LYS A 97 51.086 18.352 2.327 1.00 0.00 H new ATOM 0 HG2 LYS A 97 51.401 15.361 1.897 1.00 0.00 H new ATOM 0 HG3 LYS A 97 50.895 16.163 3.370 1.00 0.00 H new ATOM 0 HD2 LYS A 97 48.933 17.128 1.989 1.00 0.00 H new ATOM 0 HD3 LYS A 97 49.380 15.980 0.743 1.00 0.00 H new ATOM 0 HE2 LYS A 97 49.330 14.448 3.102 1.00 0.00 H new ATOM 0 HE3 LYS A 97 47.962 15.531 3.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 46.842 14.275 1.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 47.985 14.571 0.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 48.177 13.242 1.668 1.00 0.00 H new ATOM 818 N SER A 98 52.796 19.567 -0.582 1.00 0.00 N ATOM 819 CA SER A 98 53.067 20.955 -0.940 1.00 0.00 C ATOM 820 C SER A 98 52.458 21.288 -2.296 1.00 0.00 C ATOM 821 O SER A 98 52.120 22.440 -2.573 1.00 0.00 O ATOM 822 CB SER A 98 54.575 21.214 -0.969 1.00 0.00 C ATOM 823 OG SER A 98 55.144 20.779 -2.192 1.00 0.00 O ATOM 0 H SER A 98 53.551 18.918 -0.804 1.00 0.00 H new ATOM 0 HA SER A 98 52.612 21.596 -0.185 1.00 0.00 H new ATOM 0 HB2 SER A 98 54.767 22.278 -0.833 1.00 0.00 H new ATOM 0 HB3 SER A 98 55.052 20.695 -0.137 1.00 0.00 H new ATOM 0 HG SER A 98 54.838 19.869 -2.390 1.00 0.00 H new ATOM 829 N GLY A 99 52.328 20.270 -3.142 1.00 0.00 N ATOM 830 CA GLY A 99 51.766 20.471 -4.463 1.00 0.00 C ATOM 831 C GLY A 99 52.833 20.600 -5.533 1.00 0.00 C ATOM 832 O GLY A 99 52.531 20.915 -6.684 1.00 0.00 O ATOM 0 H GLY A 99 52.602 19.310 -2.935 1.00 0.00 H new ATOM 0 HA2 GLY A 99 51.110 19.635 -4.707 1.00 0.00 H new ATOM 0 HA3 GLY A 99 51.149 21.369 -4.459 1.00 0.00 H new ATOM 836 N GLU A 100 54.087 20.356 -5.157 1.00 0.00 N ATOM 837 CA GLU A 100 55.194 20.447 -6.100 1.00 0.00 C ATOM 838 C GLU A 100 55.468 19.095 -6.747 1.00 0.00 C ATOM 839 O GLU A 100 55.731 19.015 -7.947 1.00 0.00 O ATOM 840 CB GLU A 100 56.453 20.961 -5.398 1.00 0.00 C ATOM 841 CG GLU A 100 57.014 19.995 -4.368 1.00 0.00 C ATOM 842 CD GLU A 100 58.022 20.650 -3.444 1.00 0.00 C ATOM 843 OE1 GLU A 100 59.194 20.800 -3.854 1.00 0.00 O ATOM 844 OE2 GLU A 100 57.642 21.014 -2.311 1.00 0.00 O ATOM 0 H GLU A 100 54.359 20.095 -4.209 1.00 0.00 H new ATOM 0 HA GLU A 100 54.915 21.152 -6.883 1.00 0.00 H new ATOM 0 HB2 GLU A 100 57.218 21.165 -6.147 1.00 0.00 H new ATOM 0 HB3 GLU A 100 56.225 21.908 -4.909 1.00 0.00 H new ATOM 0 HG2 GLU A 100 56.196 19.586 -3.776 1.00 0.00 H new ATOM 0 HG3 GLU A 100 57.487 19.157 -4.880 1.00 0.00 H new ATOM 851 N GLU A 101 55.399 18.031 -5.951 1.00 0.00 N ATOM 852 CA GLU A 101 55.635 16.686 -6.465 1.00 0.00 C ATOM 853 C GLU A 101 54.496 15.752 -6.083 1.00 0.00 C ATOM 854 O GLU A 101 54.543 15.091 -5.046 1.00 0.00 O ATOM 855 CB GLU A 101 56.960 16.135 -5.935 1.00 0.00 C ATOM 856 CG GLU A 101 58.158 16.500 -6.796 1.00 0.00 C ATOM 857 CD GLU A 101 59.413 16.738 -5.977 1.00 0.00 C ATOM 858 OE1 GLU A 101 60.036 15.746 -5.545 1.00 0.00 O ATOM 859 OE2 GLU A 101 59.773 17.916 -5.770 1.00 0.00 O ATOM 0 H GLU A 101 55.183 18.074 -4.955 1.00 0.00 H new ATOM 0 HA GLU A 101 55.685 16.746 -7.552 1.00 0.00 H new ATOM 0 HB2 GLU A 101 57.122 16.510 -4.924 1.00 0.00 H new ATOM 0 HB3 GLU A 101 56.891 15.049 -5.865 1.00 0.00 H new ATOM 0 HG2 GLU A 101 58.343 15.700 -7.513 1.00 0.00 H new ATOM 0 HG3 GLU A 101 57.928 17.397 -7.371 1.00 0.00 H new ATOM 866 N ASP A 102 53.467 15.701 -6.931 1.00 0.00 N ATOM 867 CA ASP A 102 52.308 14.848 -6.682 1.00 0.00 C ATOM 868 C ASP A 102 52.730 13.462 -6.211 1.00 0.00 C ATOM 869 O ASP A 102 53.816 12.987 -6.541 1.00 0.00 O ATOM 870 CB ASP A 102 51.444 14.734 -7.941 1.00 0.00 C ATOM 871 CG ASP A 102 52.263 14.448 -9.183 1.00 0.00 C ATOM 872 OD1 ASP A 102 53.205 15.218 -9.463 1.00 0.00 O ATOM 873 OD2 ASP A 102 51.958 13.457 -9.877 1.00 0.00 O ATOM 0 H ASP A 102 53.415 16.241 -7.795 1.00 0.00 H new ATOM 0 HA ASP A 102 51.721 15.312 -5.889 1.00 0.00 H new ATOM 0 HB2 ASP A 102 50.710 13.940 -7.803 1.00 0.00 H new ATOM 0 HB3 ASP A 102 50.888 15.661 -8.082 1.00 0.00 H new ATOM 878 N PHE A 103 51.865 12.823 -5.433 1.00 0.00 N ATOM 879 CA PHE A 103 52.147 11.501 -4.912 1.00 0.00 C ATOM 880 C PHE A 103 52.341 10.507 -6.048 1.00 0.00 C ATOM 881 O PHE A 103 53.281 9.713 -6.041 1.00 0.00 O ATOM 882 CB PHE A 103 51.005 11.046 -4.012 1.00 0.00 C ATOM 883 CG PHE A 103 51.411 9.991 -3.027 1.00 0.00 C ATOM 884 CD1 PHE A 103 51.608 8.681 -3.433 1.00 0.00 C ATOM 885 CD2 PHE A 103 51.605 10.314 -1.696 1.00 0.00 C ATOM 886 CE1 PHE A 103 51.995 7.713 -2.523 1.00 0.00 C ATOM 887 CE2 PHE A 103 51.987 9.353 -0.782 1.00 0.00 C ATOM 888 CZ PHE A 103 52.185 8.050 -1.196 1.00 0.00 C ATOM 0 H PHE A 103 50.962 13.204 -5.151 1.00 0.00 H new ATOM 0 HA PHE A 103 53.068 11.545 -4.331 1.00 0.00 H new ATOM 0 HB2 PHE A 103 50.613 11.907 -3.471 1.00 0.00 H new ATOM 0 HB3 PHE A 103 50.194 10.662 -4.631 1.00 0.00 H new ATOM 0 HD1 PHE A 103 51.458 8.413 -4.468 1.00 0.00 H new ATOM 0 HD2 PHE A 103 51.456 11.332 -1.368 1.00 0.00 H new ATOM 0 HE1 PHE A 103 52.148 6.695 -2.849 1.00 0.00 H new ATOM 0 HE2 PHE A 103 52.131 9.619 0.255 1.00 0.00 H new ATOM 0 HZ PHE A 103 52.488 7.296 -0.484 1.00 0.00 H new ATOM 898 N GLU A 104 51.442 10.560 -7.021 1.00 0.00 N ATOM 899 CA GLU A 104 51.508 9.668 -8.168 1.00 0.00 C ATOM 900 C GLU A 104 52.842 9.807 -8.893 1.00 0.00 C ATOM 901 O GLU A 104 53.542 8.825 -9.117 1.00 0.00 O ATOM 902 CB GLU A 104 50.358 9.957 -9.136 1.00 0.00 C ATOM 903 CG GLU A 104 49.050 9.285 -8.749 1.00 0.00 C ATOM 904 CD GLU A 104 48.030 9.307 -9.870 1.00 0.00 C ATOM 905 OE1 GLU A 104 48.181 10.134 -10.793 1.00 0.00 O ATOM 906 OE2 GLU A 104 47.082 8.495 -9.825 1.00 0.00 O ATOM 0 H GLU A 104 50.658 11.212 -7.038 1.00 0.00 H new ATOM 0 HA GLU A 104 51.418 8.645 -7.802 1.00 0.00 H new ATOM 0 HB2 GLU A 104 50.201 11.034 -9.189 1.00 0.00 H new ATOM 0 HB3 GLU A 104 50.644 9.627 -10.135 1.00 0.00 H new ATOM 0 HG2 GLU A 104 49.247 8.252 -8.462 1.00 0.00 H new ATOM 0 HG3 GLU A 104 48.634 9.785 -7.874 1.00 0.00 H new ATOM 913 N SER A 105 53.196 11.032 -9.257 1.00 0.00 N ATOM 914 CA SER A 105 54.449 11.273 -9.959 1.00 0.00 C ATOM 915 C SER A 105 55.637 10.947 -9.062 1.00 0.00 C ATOM 916 O SER A 105 56.589 10.290 -9.491 1.00 0.00 O ATOM 917 CB SER A 105 54.529 12.727 -10.429 1.00 0.00 C ATOM 918 OG SER A 105 55.756 12.986 -11.088 1.00 0.00 O ATOM 0 H SER A 105 52.639 11.868 -9.080 1.00 0.00 H new ATOM 0 HA SER A 105 54.482 10.621 -10.832 1.00 0.00 H new ATOM 0 HB2 SER A 105 53.699 12.940 -11.103 1.00 0.00 H new ATOM 0 HB3 SER A 105 54.425 13.395 -9.574 1.00 0.00 H new ATOM 0 HG SER A 105 55.780 13.921 -11.379 1.00 0.00 H new ATOM 924 N LEU A 106 55.576 11.396 -7.814 1.00 0.00 N ATOM 925 CA LEU A 106 56.654 11.132 -6.872 1.00 0.00 C ATOM 926 C LEU A 106 56.804 9.630 -6.627 1.00 0.00 C ATOM 927 O LEU A 106 57.822 9.027 -6.990 1.00 0.00 O ATOM 928 CB LEU A 106 56.377 11.853 -5.551 1.00 0.00 C ATOM 929 CG LEU A 106 57.595 12.055 -4.650 1.00 0.00 C ATOM 930 CD1 LEU A 106 57.440 13.318 -3.814 1.00 0.00 C ATOM 931 CD2 LEU A 106 57.799 10.842 -3.754 1.00 0.00 C ATOM 0 H LEU A 106 54.800 11.939 -7.435 1.00 0.00 H new ATOM 0 HA LEU A 106 57.586 11.505 -7.298 1.00 0.00 H new ATOM 0 HB2 LEU A 106 55.943 12.828 -5.772 1.00 0.00 H new ATOM 0 HB3 LEU A 106 55.626 11.288 -4.998 1.00 0.00 H new ATOM 0 HG LEU A 106 58.476 12.170 -5.282 1.00 0.00 H new ATOM 0 HD11 LEU A 106 58.317 13.444 -3.179 1.00 0.00 H new ATOM 0 HD12 LEU A 106 57.342 14.181 -4.473 1.00 0.00 H new ATOM 0 HD13 LEU A 106 56.550 13.235 -3.190 1.00 0.00 H new ATOM 0 HD21 LEU A 106 58.670 11.001 -3.119 1.00 0.00 H new ATOM 0 HD22 LEU A 106 56.917 10.698 -3.131 1.00 0.00 H new ATOM 0 HD23 LEU A 106 57.957 9.957 -4.370 1.00 0.00 H new ATOM 943 N ALA A 107 55.777 9.025 -6.026 1.00 0.00 N ATOM 944 CA ALA A 107 55.792 7.592 -5.737 1.00 0.00 C ATOM 945 C ALA A 107 56.291 6.798 -6.924 1.00 0.00 C ATOM 946 O ALA A 107 57.167 5.959 -6.784 1.00 0.00 O ATOM 947 CB ALA A 107 54.409 7.101 -5.333 1.00 0.00 C ATOM 0 H ALA A 107 54.927 9.505 -5.731 1.00 0.00 H new ATOM 0 HA ALA A 107 56.477 7.438 -4.903 1.00 0.00 H new ATOM 0 HB1 ALA A 107 54.449 6.032 -5.124 1.00 0.00 H new ATOM 0 HB2 ALA A 107 54.080 7.633 -4.440 1.00 0.00 H new ATOM 0 HB3 ALA A 107 53.706 7.286 -6.145 1.00 0.00 H new ATOM 953 N SER A 108 55.733 7.063 -8.092 1.00 0.00 N ATOM 954 CA SER A 108 56.138 6.356 -9.293 1.00 0.00 C ATOM 955 C SER A 108 57.663 6.293 -9.413 1.00 0.00 C ATOM 956 O SER A 108 58.243 5.212 -9.530 1.00 0.00 O ATOM 957 CB SER A 108 55.554 7.034 -10.535 1.00 0.00 C ATOM 958 OG SER A 108 56.321 8.164 -10.910 1.00 0.00 O ATOM 0 H SER A 108 55.001 7.759 -8.234 1.00 0.00 H new ATOM 0 HA SER A 108 55.754 5.338 -9.222 1.00 0.00 H new ATOM 0 HB2 SER A 108 55.523 6.322 -11.360 1.00 0.00 H new ATOM 0 HB3 SER A 108 54.526 7.338 -10.337 1.00 0.00 H new ATOM 0 HG SER A 108 56.229 8.863 -10.229 1.00 0.00 H new ATOM 964 N GLN A 109 58.305 7.461 -9.384 1.00 0.00 N ATOM 965 CA GLN A 109 59.762 7.539 -9.522 1.00 0.00 C ATOM 966 C GLN A 109 60.503 6.938 -8.336 1.00 0.00 C ATOM 967 O GLN A 109 61.708 6.699 -8.412 1.00 0.00 O ATOM 968 CB GLN A 109 60.190 8.996 -9.697 1.00 0.00 C ATOM 969 CG GLN A 109 60.081 9.498 -11.127 1.00 0.00 C ATOM 970 CD GLN A 109 61.430 9.806 -11.744 1.00 0.00 C ATOM 971 OE1 GLN A 109 62.206 8.902 -12.055 1.00 0.00 O ATOM 972 NE2 GLN A 109 61.720 11.090 -11.922 1.00 0.00 N ATOM 0 H GLN A 109 57.843 8.363 -9.267 1.00 0.00 H new ATOM 0 HA GLN A 109 60.026 6.953 -10.402 1.00 0.00 H new ATOM 0 HB2 GLN A 109 59.576 9.625 -9.053 1.00 0.00 H new ATOM 0 HB3 GLN A 109 61.221 9.105 -9.361 1.00 0.00 H new ATOM 0 HG2 GLN A 109 59.572 8.748 -11.733 1.00 0.00 H new ATOM 0 HG3 GLN A 109 59.464 10.396 -11.146 1.00 0.00 H new ATOM 0 HE21 GLN A 109 61.048 11.807 -11.650 1.00 0.00 H new ATOM 0 HE22 GLN A 109 62.615 11.359 -12.331 1.00 0.00 H new ATOM 981 N PHE A 110 59.800 6.702 -7.243 1.00 0.00 N ATOM 982 CA PHE A 110 60.428 6.137 -6.056 1.00 0.00 C ATOM 983 C PHE A 110 59.671 4.913 -5.545 1.00 0.00 C ATOM 984 O PHE A 110 59.992 4.379 -4.482 1.00 0.00 O ATOM 985 CB PHE A 110 60.512 7.202 -4.963 1.00 0.00 C ATOM 986 CG PHE A 110 61.095 8.503 -5.447 1.00 0.00 C ATOM 987 CD1 PHE A 110 62.433 8.591 -5.791 1.00 0.00 C ATOM 988 CD2 PHE A 110 60.304 9.635 -5.552 1.00 0.00 C ATOM 989 CE1 PHE A 110 62.973 9.784 -6.232 1.00 0.00 C ATOM 990 CE2 PHE A 110 60.838 10.832 -5.993 1.00 0.00 C ATOM 991 CZ PHE A 110 62.174 10.906 -6.333 1.00 0.00 C ATOM 0 H PHE A 110 58.802 6.890 -7.150 1.00 0.00 H new ATOM 0 HA PHE A 110 61.432 5.811 -6.327 1.00 0.00 H new ATOM 0 HB2 PHE A 110 59.514 7.384 -4.565 1.00 0.00 H new ATOM 0 HB3 PHE A 110 61.119 6.823 -4.141 1.00 0.00 H new ATOM 0 HD1 PHE A 110 63.062 7.717 -5.714 1.00 0.00 H new ATOM 0 HD2 PHE A 110 59.258 9.582 -5.287 1.00 0.00 H new ATOM 0 HE1 PHE A 110 64.018 9.839 -6.497 1.00 0.00 H new ATOM 0 HE2 PHE A 110 60.211 11.708 -6.071 1.00 0.00 H new ATOM 0 HZ PHE A 110 62.594 11.840 -6.677 1.00 0.00 H new ATOM 1001 N SER A 111 58.653 4.484 -6.286 1.00 0.00 N ATOM 1002 CA SER A 111 57.842 3.341 -5.874 1.00 0.00 C ATOM 1003 C SER A 111 58.530 2.004 -6.144 1.00 0.00 C ATOM 1004 O SER A 111 58.503 1.500 -7.266 1.00 0.00 O ATOM 1005 CB SER A 111 56.488 3.371 -6.586 1.00 0.00 C ATOM 1006 OG SER A 111 55.796 2.146 -6.419 1.00 0.00 O ATOM 0 H SER A 111 58.371 4.907 -7.170 1.00 0.00 H new ATOM 0 HA SER A 111 57.701 3.426 -4.796 1.00 0.00 H new ATOM 0 HB2 SER A 111 55.885 4.189 -6.193 1.00 0.00 H new ATOM 0 HB3 SER A 111 56.636 3.566 -7.648 1.00 0.00 H new ATOM 0 HG SER A 111 54.844 2.326 -6.271 1.00 0.00 H new ATOM 1012 N ASP A 112 59.109 1.412 -5.097 1.00 0.00 N ATOM 1013 CA ASP A 112 59.760 0.108 -5.221 1.00 0.00 C ATOM 1014 C ASP A 112 58.758 -1.003 -4.910 1.00 0.00 C ATOM 1015 O ASP A 112 59.113 -2.033 -4.338 1.00 0.00 O ATOM 1016 CB ASP A 112 60.961 0.015 -4.276 1.00 0.00 C ATOM 1017 CG ASP A 112 62.147 0.823 -4.764 1.00 0.00 C ATOM 1018 OD1 ASP A 112 62.631 0.552 -5.883 1.00 0.00 O ATOM 1019 OD2 ASP A 112 62.592 1.728 -4.026 1.00 0.00 O ATOM 0 H ASP A 112 59.140 1.813 -4.160 1.00 0.00 H new ATOM 0 HA ASP A 112 60.117 -0.009 -6.244 1.00 0.00 H new ATOM 0 HB2 ASP A 112 60.669 0.366 -3.286 1.00 0.00 H new ATOM 0 HB3 ASP A 112 61.256 -1.029 -4.170 1.00 0.00 H new ATOM 1024 N CYS A 113 57.505 -0.783 -5.301 1.00 0.00 N ATOM 1025 CA CYS A 113 56.441 -1.756 -5.080 1.00 0.00 C ATOM 1026 C CYS A 113 55.593 -1.901 -6.337 1.00 0.00 C ATOM 1027 O CYS A 113 55.652 -1.059 -7.233 1.00 0.00 O ATOM 1028 CB CYS A 113 55.558 -1.329 -3.907 1.00 0.00 C ATOM 1029 SG CYS A 113 54.720 -2.702 -3.079 1.00 0.00 S ATOM 0 H CYS A 113 57.201 0.067 -5.776 1.00 0.00 H new ATOM 0 HA CYS A 113 56.898 -2.717 -4.843 1.00 0.00 H new ATOM 0 HB2 CYS A 113 56.171 -0.798 -3.178 1.00 0.00 H new ATOM 0 HB3 CYS A 113 54.809 -0.624 -4.267 1.00 0.00 H new ATOM 0 HG CYS A 113 53.508 -2.348 -2.771 1.00 0.00 H new ATOM 1035 N SER A 114 54.806 -2.967 -6.402 1.00 0.00 N ATOM 1036 CA SER A 114 53.951 -3.212 -7.558 1.00 0.00 C ATOM 1037 C SER A 114 53.048 -2.010 -7.852 1.00 0.00 C ATOM 1038 O SER A 114 52.512 -1.883 -8.953 1.00 0.00 O ATOM 1039 CB SER A 114 53.107 -4.470 -7.333 1.00 0.00 C ATOM 1040 OG SER A 114 51.814 -4.147 -6.844 1.00 0.00 O ATOM 0 H SER A 114 54.741 -3.675 -5.670 1.00 0.00 H new ATOM 0 HA SER A 114 54.594 -3.364 -8.425 1.00 0.00 H new ATOM 0 HB2 SER A 114 53.016 -5.021 -8.269 1.00 0.00 H new ATOM 0 HB3 SER A 114 53.612 -5.127 -6.624 1.00 0.00 H new ATOM 0 HG SER A 114 51.299 -4.970 -6.712 1.00 0.00 H new ATOM 1046 N SER A 115 52.885 -1.132 -6.865 1.00 0.00 N ATOM 1047 CA SER A 115 52.050 0.053 -7.028 1.00 0.00 C ATOM 1048 C SER A 115 52.580 0.938 -8.149 1.00 0.00 C ATOM 1049 O SER A 115 51.806 1.564 -8.871 1.00 0.00 O ATOM 1050 CB SER A 115 51.989 0.843 -5.720 1.00 0.00 C ATOM 1051 OG SER A 115 51.672 -0.004 -4.628 1.00 0.00 O ATOM 0 H SER A 115 53.320 -1.219 -5.946 1.00 0.00 H new ATOM 0 HA SER A 115 51.044 -0.273 -7.292 1.00 0.00 H new ATOM 0 HB2 SER A 115 52.947 1.330 -5.540 1.00 0.00 H new ATOM 0 HB3 SER A 115 51.241 1.632 -5.802 1.00 0.00 H new ATOM 0 HG SER A 115 52.395 0.029 -3.968 1.00 0.00 H new ATOM 1057 N ALA A 116 53.906 0.984 -8.286 1.00 0.00 N ATOM 1058 CA ALA A 116 54.557 1.788 -9.322 1.00 0.00 C ATOM 1059 C ALA A 116 53.766 1.766 -10.630 1.00 0.00 C ATOM 1060 O ALA A 116 53.740 2.754 -11.362 1.00 0.00 O ATOM 1061 CB ALA A 116 55.979 1.297 -9.549 1.00 0.00 C ATOM 0 H ALA A 116 54.554 0.470 -7.688 1.00 0.00 H new ATOM 0 HA ALA A 116 54.589 2.821 -8.976 1.00 0.00 H new ATOM 0 HB1 ALA A 116 56.454 1.902 -10.321 1.00 0.00 H new ATOM 0 HB2 ALA A 116 56.546 1.382 -8.622 1.00 0.00 H new ATOM 0 HB3 ALA A 116 55.958 0.255 -9.867 1.00 0.00 H new ATOM 1067 N LYS A 117 53.109 0.640 -10.911 1.00 0.00 N ATOM 1068 CA LYS A 117 52.302 0.508 -12.121 1.00 0.00 C ATOM 1069 C LYS A 117 51.310 1.664 -12.212 1.00 0.00 C ATOM 1070 O LYS A 117 51.184 2.313 -13.250 1.00 0.00 O ATOM 1071 CB LYS A 117 51.558 -0.831 -12.122 1.00 0.00 C ATOM 1072 CG LYS A 117 50.454 -0.927 -13.168 1.00 0.00 C ATOM 1073 CD LYS A 117 50.579 -2.195 -13.999 1.00 0.00 C ATOM 1074 CE LYS A 117 50.576 -3.439 -13.124 1.00 0.00 C ATOM 1075 NZ LYS A 117 49.570 -3.344 -12.030 1.00 0.00 N ATOM 0 H LYS A 117 53.121 -0.190 -10.318 1.00 0.00 H new ATOM 0 HA LYS A 117 52.961 0.538 -12.989 1.00 0.00 H new ATOM 0 HB2 LYS A 117 52.276 -1.633 -12.292 1.00 0.00 H new ATOM 0 HB3 LYS A 117 51.125 -0.995 -11.135 1.00 0.00 H new ATOM 0 HG2 LYS A 117 49.482 -0.909 -12.675 1.00 0.00 H new ATOM 0 HG3 LYS A 117 50.496 -0.057 -13.823 1.00 0.00 H new ATOM 0 HD2 LYS A 117 49.755 -2.248 -14.710 1.00 0.00 H new ATOM 0 HD3 LYS A 117 51.500 -2.160 -14.581 1.00 0.00 H new ATOM 0 HE2 LYS A 117 50.364 -4.314 -13.738 1.00 0.00 H new ATOM 0 HE3 LYS A 117 51.567 -3.584 -12.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 49.277 -4.300 -11.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 49.989 -2.852 -11.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 48.741 -2.814 -12.366 1.00 0.00 H new ATOM 1089 N ALA A 118 50.622 1.924 -11.105 1.00 0.00 N ATOM 1090 CA ALA A 118 49.656 3.011 -11.036 1.00 0.00 C ATOM 1091 C ALA A 118 50.270 4.225 -10.347 1.00 0.00 C ATOM 1092 O ALA A 118 49.559 5.100 -9.851 1.00 0.00 O ATOM 1093 CB ALA A 118 48.401 2.562 -10.303 1.00 0.00 C ATOM 0 H ALA A 118 50.718 1.393 -10.240 1.00 0.00 H new ATOM 0 HA ALA A 118 49.380 3.293 -12.052 1.00 0.00 H new ATOM 0 HB1 ALA A 118 47.690 3.387 -10.261 1.00 0.00 H new ATOM 0 HB2 ALA A 118 47.951 1.722 -10.832 1.00 0.00 H new ATOM 0 HB3 ALA A 118 48.661 2.255 -9.290 1.00 0.00 H new ATOM 1099 N ARG A 119 51.603 4.271 -10.321 1.00 0.00 N ATOM 1100 CA ARG A 119 52.328 5.368 -9.699 1.00 0.00 C ATOM 1101 C ARG A 119 52.043 5.444 -8.203 1.00 0.00 C ATOM 1102 O ARG A 119 51.942 6.533 -7.636 1.00 0.00 O ATOM 1103 CB ARG A 119 51.964 6.689 -10.370 1.00 0.00 C ATOM 1104 CG ARG A 119 52.389 6.774 -11.828 1.00 0.00 C ATOM 1105 CD ARG A 119 51.274 6.341 -12.765 1.00 0.00 C ATOM 1106 NE ARG A 119 51.565 5.060 -13.404 1.00 0.00 N ATOM 1107 CZ ARG A 119 52.580 4.866 -14.245 1.00 0.00 C ATOM 1108 NH1 ARG A 119 53.394 5.867 -14.557 1.00 0.00 N ATOM 1109 NH2 ARG A 119 52.779 3.668 -14.776 1.00 0.00 N ATOM 0 H ARG A 119 52.202 3.553 -10.728 1.00 0.00 H new ATOM 0 HA ARG A 119 53.394 5.182 -9.830 1.00 0.00 H new ATOM 0 HB2 ARG A 119 50.885 6.833 -10.307 1.00 0.00 H new ATOM 0 HB3 ARG A 119 52.428 7.506 -9.818 1.00 0.00 H new ATOM 0 HG2 ARG A 119 52.684 7.797 -12.062 1.00 0.00 H new ATOM 0 HG3 ARG A 119 53.264 6.145 -11.989 1.00 0.00 H new ATOM 0 HD2 ARG A 119 50.341 6.265 -12.207 1.00 0.00 H new ATOM 0 HD3 ARG A 119 51.127 7.103 -13.530 1.00 0.00 H new ATOM 0 HE ARG A 119 50.956 4.269 -13.194 1.00 0.00 H new ATOM 0 HH11 ARG A 119 53.244 6.791 -14.152 1.00 0.00 H new ATOM 0 HH12 ARG A 119 54.169 5.712 -15.201 1.00 0.00 H new ATOM 0 HH21 ARG A 119 52.155 2.896 -14.541 1.00 0.00 H new ATOM 0 HH22 ARG A 119 53.556 3.518 -15.420 1.00 0.00 H new ATOM 1123 N GLY A 120 51.919 4.286 -7.565 1.00 0.00 N ATOM 1124 CA GLY A 120 51.654 4.252 -6.139 1.00 0.00 C ATOM 1125 C GLY A 120 50.175 4.174 -5.819 1.00 0.00 C ATOM 1126 O GLY A 120 49.772 3.483 -4.883 1.00 0.00 O ATOM 0 H GLY A 120 51.997 3.371 -8.009 1.00 0.00 H new ATOM 0 HA2 GLY A 120 52.162 3.393 -5.700 1.00 0.00 H new ATOM 0 HA3 GLY A 120 52.075 5.143 -5.674 1.00 0.00 H new ATOM 1130 N ASP A 121 49.361 4.884 -6.595 1.00 0.00 N ATOM 1131 CA ASP A 121 47.920 4.892 -6.385 1.00 0.00 C ATOM 1132 C ASP A 121 47.348 3.484 -6.502 1.00 0.00 C ATOM 1133 O ASP A 121 47.127 2.980 -7.605 1.00 0.00 O ATOM 1134 CB ASP A 121 47.239 5.820 -7.392 1.00 0.00 C ATOM 1135 CG ASP A 121 46.619 7.036 -6.730 1.00 0.00 C ATOM 1136 OD1 ASP A 121 47.358 8.005 -6.455 1.00 0.00 O ATOM 1137 OD2 ASP A 121 45.395 7.018 -6.487 1.00 0.00 O ATOM 0 H ASP A 121 49.677 5.461 -7.375 1.00 0.00 H new ATOM 0 HA ASP A 121 47.726 5.261 -5.378 1.00 0.00 H new ATOM 0 HB2 ASP A 121 47.969 6.146 -8.133 1.00 0.00 H new ATOM 0 HB3 ASP A 121 46.467 5.267 -7.927 1.00 0.00 H new ATOM 1142 N LEU A 122 47.106 2.854 -5.358 1.00 0.00 N ATOM 1143 CA LEU A 122 46.555 1.504 -5.331 1.00 0.00 C ATOM 1144 C LEU A 122 45.083 1.501 -5.735 1.00 0.00 C ATOM 1145 O LEU A 122 44.496 0.442 -5.956 1.00 0.00 O ATOM 1146 CB LEU A 122 46.712 0.890 -3.937 1.00 0.00 C ATOM 1147 CG LEU A 122 48.088 1.077 -3.297 1.00 0.00 C ATOM 1148 CD1 LEU A 122 47.967 1.144 -1.782 1.00 0.00 C ATOM 1149 CD2 LEU A 122 49.022 -0.051 -3.710 1.00 0.00 C ATOM 0 H LEU A 122 47.283 3.256 -4.437 1.00 0.00 H new ATOM 0 HA LEU A 122 47.111 0.904 -6.051 1.00 0.00 H new ATOM 0 HB2 LEU A 122 45.960 1.325 -3.279 1.00 0.00 H new ATOM 0 HB3 LEU A 122 46.500 -0.177 -4.001 1.00 0.00 H new ATOM 0 HG LEU A 122 48.508 2.019 -3.649 1.00 0.00 H new ATOM 0 HD11 LEU A 122 48.956 1.277 -1.344 1.00 0.00 H new ATOM 0 HD12 LEU A 122 47.331 1.985 -1.505 1.00 0.00 H new ATOM 0 HD13 LEU A 122 47.527 0.218 -1.411 1.00 0.00 H new ATOM 0 HD21 LEU A 122 49.997 0.096 -3.246 1.00 0.00 H new ATOM 0 HD22 LEU A 122 48.606 -1.005 -3.385 1.00 0.00 H new ATOM 0 HD23 LEU A 122 49.132 -0.053 -4.794 1.00 0.00 H new ATOM 1161 N GLY A 123 44.487 2.688 -5.823 1.00 0.00 N ATOM 1162 CA GLY A 123 43.089 2.783 -6.194 1.00 0.00 C ATOM 1163 C GLY A 123 42.176 2.224 -5.123 1.00 0.00 C ATOM 1164 O GLY A 123 42.631 1.866 -4.037 1.00 0.00 O ATOM 0 H GLY A 123 44.947 3.581 -5.644 1.00 0.00 H new ATOM 0 HA2 GLY A 123 42.834 3.826 -6.379 1.00 0.00 H new ATOM 0 HA3 GLY A 123 42.925 2.244 -7.127 1.00 0.00 H new ATOM 1168 N ALA A 124 40.886 2.146 -5.425 1.00 0.00 N ATOM 1169 CA ALA A 124 39.915 1.624 -4.477 1.00 0.00 C ATOM 1170 C ALA A 124 40.098 0.122 -4.280 1.00 0.00 C ATOM 1171 O ALA A 124 39.815 -0.669 -5.180 1.00 0.00 O ATOM 1172 CB ALA A 124 38.502 1.932 -4.949 1.00 0.00 C ATOM 0 H ALA A 124 40.490 2.438 -6.319 1.00 0.00 H new ATOM 0 HA ALA A 124 40.078 2.112 -3.516 1.00 0.00 H new ATOM 0 HB1 ALA A 124 37.784 1.536 -4.231 1.00 0.00 H new ATOM 0 HB2 ALA A 124 38.374 3.011 -5.033 1.00 0.00 H new ATOM 0 HB3 ALA A 124 38.334 1.470 -5.922 1.00 0.00 H new ATOM 1178 N PHE A 125 40.567 -0.268 -3.098 1.00 0.00 N ATOM 1179 CA PHE A 125 40.783 -1.678 -2.793 1.00 0.00 C ATOM 1180 C PHE A 125 39.947 -2.111 -1.600 1.00 0.00 C ATOM 1181 O PHE A 125 39.222 -1.312 -1.012 1.00 0.00 O ATOM 1182 CB PHE A 125 42.256 -1.960 -2.503 1.00 0.00 C ATOM 1183 CG PHE A 125 42.897 -0.950 -1.594 1.00 0.00 C ATOM 1184 CD1 PHE A 125 42.727 -1.034 -0.221 1.00 0.00 C ATOM 1185 CD2 PHE A 125 43.665 0.081 -2.109 1.00 0.00 C ATOM 1186 CE1 PHE A 125 43.314 -0.110 0.622 1.00 0.00 C ATOM 1187 CE2 PHE A 125 44.255 1.009 -1.272 1.00 0.00 C ATOM 1188 CZ PHE A 125 44.078 0.912 0.097 1.00 0.00 C ATOM 0 H PHE A 125 40.804 0.370 -2.339 1.00 0.00 H new ATOM 0 HA PHE A 125 40.478 -2.248 -3.671 1.00 0.00 H new ATOM 0 HB2 PHE A 125 42.346 -2.949 -2.053 1.00 0.00 H new ATOM 0 HB3 PHE A 125 42.804 -1.987 -3.445 1.00 0.00 H new ATOM 0 HD1 PHE A 125 42.129 -1.831 0.195 1.00 0.00 H new ATOM 0 HD2 PHE A 125 43.804 0.161 -3.177 1.00 0.00 H new ATOM 0 HE1 PHE A 125 43.175 -0.188 1.690 1.00 0.00 H new ATOM 0 HE2 PHE A 125 44.853 1.808 -1.685 1.00 0.00 H new ATOM 0 HZ PHE A 125 44.537 1.636 0.754 1.00 0.00 H new ATOM 1198 N SER A 126 40.059 -3.385 -1.252 1.00 0.00 N ATOM 1199 CA SER A 126 39.312 -3.939 -0.128 1.00 0.00 C ATOM 1200 C SER A 126 40.249 -4.438 0.968 1.00 0.00 C ATOM 1201 O SER A 126 41.333 -4.949 0.689 1.00 0.00 O ATOM 1202 CB SER A 126 38.410 -5.079 -0.602 1.00 0.00 C ATOM 1203 OG SER A 126 38.116 -4.955 -1.982 1.00 0.00 O ATOM 0 H SER A 126 40.660 -4.056 -1.731 1.00 0.00 H new ATOM 0 HA SER A 126 38.695 -3.142 0.288 1.00 0.00 H new ATOM 0 HB2 SER A 126 38.899 -6.035 -0.415 1.00 0.00 H new ATOM 0 HB3 SER A 126 37.484 -5.077 -0.028 1.00 0.00 H new ATOM 0 HG SER A 126 37.539 -5.696 -2.262 1.00 0.00 H new ATOM 1209 N ARG A 127 39.815 -4.288 2.216 1.00 0.00 N ATOM 1210 CA ARG A 127 40.605 -4.727 3.364 1.00 0.00 C ATOM 1211 C ARG A 127 41.102 -6.159 3.179 1.00 0.00 C ATOM 1212 O ARG A 127 40.312 -7.077 2.956 1.00 0.00 O ATOM 1213 CB ARG A 127 39.770 -4.631 4.643 1.00 0.00 C ATOM 1214 CG ARG A 127 40.554 -4.138 5.851 1.00 0.00 C ATOM 1215 CD ARG A 127 40.320 -5.015 7.073 1.00 0.00 C ATOM 1216 NE ARG A 127 38.924 -5.430 7.195 1.00 0.00 N ATOM 1217 CZ ARG A 127 38.507 -6.393 8.014 1.00 0.00 C ATOM 1218 NH1 ARG A 127 39.373 -7.036 8.787 1.00 0.00 N ATOM 1219 NH2 ARG A 127 37.221 -6.712 8.059 1.00 0.00 N ATOM 0 H ARG A 127 38.919 -3.865 2.459 1.00 0.00 H new ATOM 0 HA ARG A 127 41.472 -4.072 3.445 1.00 0.00 H new ATOM 0 HB2 ARG A 127 38.930 -3.959 4.468 1.00 0.00 H new ATOM 0 HB3 ARG A 127 39.352 -5.612 4.868 1.00 0.00 H new ATOM 0 HG2 ARG A 127 41.618 -4.123 5.613 1.00 0.00 H new ATOM 0 HG3 ARG A 127 40.264 -3.112 6.079 1.00 0.00 H new ATOM 0 HD2 ARG A 127 40.956 -5.898 7.011 1.00 0.00 H new ATOM 0 HD3 ARG A 127 40.616 -4.471 7.970 1.00 0.00 H new ATOM 0 HE ARG A 127 38.229 -4.954 6.619 1.00 0.00 H new ATOM 0 HH11 ARG A 127 40.363 -6.793 8.755 1.00 0.00 H new ATOM 0 HH12 ARG A 127 39.048 -7.773 9.413 1.00 0.00 H new ATOM 0 HH21 ARG A 127 36.552 -6.220 7.466 1.00 0.00 H new ATOM 0 HH22 ARG A 127 36.900 -7.450 8.686 1.00 0.00 H new ATOM 1233 N GLY A 128 42.415 -6.344 3.273 1.00 0.00 N ATOM 1234 CA GLY A 128 42.992 -7.667 3.113 1.00 0.00 C ATOM 1235 C GLY A 128 43.876 -7.780 1.886 1.00 0.00 C ATOM 1236 O GLY A 128 44.333 -8.871 1.543 1.00 0.00 O ATOM 0 H GLY A 128 43.090 -5.602 3.457 1.00 0.00 H new ATOM 0 HA2 GLY A 128 43.576 -7.913 4.000 1.00 0.00 H new ATOM 0 HA3 GLY A 128 42.190 -8.402 3.046 1.00 0.00 H new ATOM 1240 N GLN A 129 44.115 -6.657 1.220 1.00 0.00 N ATOM 1241 CA GLN A 129 44.944 -6.639 0.021 1.00 0.00 C ATOM 1242 C GLN A 129 46.402 -6.348 0.365 1.00 0.00 C ATOM 1243 O GLN A 129 47.299 -7.109 0.003 1.00 0.00 O ATOM 1244 CB GLN A 129 44.420 -5.594 -0.968 1.00 0.00 C ATOM 1245 CG GLN A 129 44.071 -6.170 -2.331 1.00 0.00 C ATOM 1246 CD GLN A 129 42.872 -7.097 -2.282 1.00 0.00 C ATOM 1247 OE1 GLN A 129 41.731 -6.665 -2.436 1.00 0.00 O ATOM 1248 NE2 GLN A 129 43.127 -8.383 -2.062 1.00 0.00 N ATOM 0 H GLN A 129 43.746 -5.745 1.490 1.00 0.00 H new ATOM 0 HA GLN A 129 44.893 -7.626 -0.440 1.00 0.00 H new ATOM 0 HB2 GLN A 129 43.535 -5.118 -0.546 1.00 0.00 H new ATOM 0 HB3 GLN A 129 45.172 -4.815 -1.093 1.00 0.00 H new ATOM 0 HG2 GLN A 129 43.867 -5.354 -3.025 1.00 0.00 H new ATOM 0 HG3 GLN A 129 44.931 -6.714 -2.723 1.00 0.00 H new ATOM 0 HE21 GLN A 129 44.089 -8.698 -1.940 1.00 0.00 H new ATOM 0 HE22 GLN A 129 42.360 -9.054 -2.015 1.00 0.00 H new ATOM 1257 N MET A 130 46.634 -5.238 1.057 1.00 0.00 N ATOM 1258 CA MET A 130 47.986 -4.843 1.441 1.00 0.00 C ATOM 1259 C MET A 130 48.342 -5.371 2.827 1.00 0.00 C ATOM 1260 O MET A 130 47.533 -6.036 3.475 1.00 0.00 O ATOM 1261 CB MET A 130 48.121 -3.321 1.409 1.00 0.00 C ATOM 1262 CG MET A 130 48.540 -2.776 0.053 1.00 0.00 C ATOM 1263 SD MET A 130 47.141 -2.517 -1.056 1.00 0.00 S ATOM 1264 CE MET A 130 47.789 -3.185 -2.585 1.00 0.00 C ATOM 0 H MET A 130 45.904 -4.595 1.364 1.00 0.00 H new ATOM 0 HA MET A 130 48.681 -5.279 0.723 1.00 0.00 H new ATOM 0 HB2 MET A 130 47.168 -2.874 1.692 1.00 0.00 H new ATOM 0 HB3 MET A 130 48.852 -3.014 2.157 1.00 0.00 H new ATOM 0 HG2 MET A 130 49.067 -1.832 0.193 1.00 0.00 H new ATOM 0 HG3 MET A 130 49.243 -3.468 -0.411 1.00 0.00 H new ATOM 0 HE1 MET A 130 47.263 -2.739 -3.429 1.00 0.00 H new ATOM 0 HE2 MET A 130 48.853 -2.958 -2.659 1.00 0.00 H new ATOM 0 HE3 MET A 130 47.647 -4.266 -2.599 1.00 0.00 H new ATOM 1274 N GLN A 131 49.557 -5.066 3.276 1.00 0.00 N ATOM 1275 CA GLN A 131 50.024 -5.510 4.589 1.00 0.00 C ATOM 1276 C GLN A 131 49.024 -5.129 5.677 1.00 0.00 C ATOM 1277 O GLN A 131 48.269 -4.169 5.532 1.00 0.00 O ATOM 1278 CB GLN A 131 51.397 -4.902 4.901 1.00 0.00 C ATOM 1279 CG GLN A 131 52.374 -4.973 3.740 1.00 0.00 C ATOM 1280 CD GLN A 131 52.568 -3.632 3.059 1.00 0.00 C ATOM 1281 OE1 GLN A 131 53.133 -2.704 3.639 1.00 0.00 O ATOM 1282 NE2 GLN A 131 52.099 -3.523 1.822 1.00 0.00 N ATOM 0 H GLN A 131 50.236 -4.514 2.752 1.00 0.00 H new ATOM 0 HA GLN A 131 50.115 -6.596 4.568 1.00 0.00 H new ATOM 0 HB2 GLN A 131 51.266 -3.859 5.191 1.00 0.00 H new ATOM 0 HB3 GLN A 131 51.827 -5.419 5.759 1.00 0.00 H new ATOM 0 HG2 GLN A 131 53.336 -5.336 4.101 1.00 0.00 H new ATOM 0 HG3 GLN A 131 52.014 -5.698 3.010 1.00 0.00 H new ATOM 0 HE21 GLN A 131 51.637 -4.318 1.380 1.00 0.00 H new ATOM 0 HE22 GLN A 131 52.200 -2.644 1.314 1.00 0.00 H new ATOM 1291 N LYS A 132 49.020 -5.891 6.766 1.00 0.00 N ATOM 1292 CA LYS A 132 48.107 -5.635 7.877 1.00 0.00 C ATOM 1293 C LYS A 132 48.229 -4.194 8.369 1.00 0.00 C ATOM 1294 O LYS A 132 47.260 -3.435 8.325 1.00 0.00 O ATOM 1295 CB LYS A 132 48.379 -6.605 9.026 1.00 0.00 C ATOM 1296 CG LYS A 132 47.704 -7.957 8.853 1.00 0.00 C ATOM 1297 CD LYS A 132 46.195 -7.818 8.722 1.00 0.00 C ATOM 1298 CE LYS A 132 45.463 -8.663 9.755 1.00 0.00 C ATOM 1299 NZ LYS A 132 45.979 -8.429 11.132 1.00 0.00 N ATOM 0 H LYS A 132 49.638 -6.691 6.904 1.00 0.00 H new ATOM 0 HA LYS A 132 47.090 -5.789 7.516 1.00 0.00 H new ATOM 0 HB2 LYS A 132 49.455 -6.754 9.118 1.00 0.00 H new ATOM 0 HB3 LYS A 132 48.039 -6.155 9.959 1.00 0.00 H new ATOM 0 HG2 LYS A 132 48.102 -8.452 7.968 1.00 0.00 H new ATOM 0 HG3 LYS A 132 47.938 -8.593 9.707 1.00 0.00 H new ATOM 0 HD2 LYS A 132 45.914 -6.772 8.841 1.00 0.00 H new ATOM 0 HD3 LYS A 132 45.887 -8.119 7.721 1.00 0.00 H new ATOM 0 HE2 LYS A 132 44.398 -8.433 9.723 1.00 0.00 H new ATOM 0 HE3 LYS A 132 45.569 -9.718 9.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 45.201 -8.527 11.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 46.720 -9.126 11.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 46.377 -7.470 11.195 1.00 0.00 H new ATOM 1313 N PRO A 133 49.421 -3.789 8.841 1.00 0.00 N ATOM 1314 CA PRO A 133 49.647 -2.428 9.331 1.00 0.00 C ATOM 1315 C PRO A 133 49.240 -1.381 8.301 1.00 0.00 C ATOM 1316 O PRO A 133 48.852 -0.268 8.651 1.00 0.00 O ATOM 1317 CB PRO A 133 51.160 -2.370 9.597 1.00 0.00 C ATOM 1318 CG PRO A 133 51.730 -3.580 8.934 1.00 0.00 C ATOM 1319 CD PRO A 133 50.637 -4.610 8.931 1.00 0.00 C ATOM 0 HA PRO A 133 49.051 -2.211 10.218 1.00 0.00 H new ATOM 0 HB2 PRO A 133 51.595 -1.458 9.189 1.00 0.00 H new ATOM 0 HB3 PRO A 133 51.371 -2.373 10.666 1.00 0.00 H new ATOM 0 HG2 PRO A 133 52.053 -3.352 7.918 1.00 0.00 H new ATOM 0 HG3 PRO A 133 52.605 -3.943 9.472 1.00 0.00 H new ATOM 0 HD2 PRO A 133 50.727 -5.294 8.087 1.00 0.00 H new ATOM 0 HD3 PRO A 133 50.650 -5.217 9.836 1.00 0.00 H new ATOM 1327 N PHE A 134 49.321 -1.754 7.028 1.00 0.00 N ATOM 1328 CA PHE A 134 48.948 -0.858 5.942 1.00 0.00 C ATOM 1329 C PHE A 134 47.464 -0.541 6.001 1.00 0.00 C ATOM 1330 O PHE A 134 47.059 0.602 6.218 1.00 0.00 O ATOM 1331 CB PHE A 134 49.264 -1.503 4.595 1.00 0.00 C ATOM 1332 CG PHE A 134 49.167 -0.552 3.437 1.00 0.00 C ATOM 1333 CD1 PHE A 134 47.960 -0.365 2.782 1.00 0.00 C ATOM 1334 CD2 PHE A 134 50.278 0.155 3.006 1.00 0.00 C ATOM 1335 CE1 PHE A 134 47.862 0.511 1.720 1.00 0.00 C ATOM 1336 CE2 PHE A 134 50.187 1.033 1.943 1.00 0.00 C ATOM 1337 CZ PHE A 134 48.974 1.212 1.299 1.00 0.00 C ATOM 0 H PHE A 134 49.643 -2.673 6.724 1.00 0.00 H new ATOM 0 HA PHE A 134 49.520 0.064 6.051 1.00 0.00 H new ATOM 0 HB2 PHE A 134 50.270 -1.921 4.628 1.00 0.00 H new ATOM 0 HB3 PHE A 134 48.579 -2.335 4.430 1.00 0.00 H new ATOM 0 HD1 PHE A 134 47.086 -0.911 3.106 1.00 0.00 H new ATOM 0 HD2 PHE A 134 51.225 0.018 3.506 1.00 0.00 H new ATOM 0 HE1 PHE A 134 46.915 0.648 1.218 1.00 0.00 H new ATOM 0 HE2 PHE A 134 51.060 1.578 1.615 1.00 0.00 H new ATOM 0 HZ PHE A 134 48.898 1.899 0.469 1.00 0.00 H new ATOM 1347 N GLU A 135 46.661 -1.576 5.799 1.00 0.00 N ATOM 1348 CA GLU A 135 45.209 -1.445 5.817 1.00 0.00 C ATOM 1349 C GLU A 135 44.732 -0.666 7.039 1.00 0.00 C ATOM 1350 O GLU A 135 43.910 0.241 6.923 1.00 0.00 O ATOM 1351 CB GLU A 135 44.558 -2.828 5.794 1.00 0.00 C ATOM 1352 CG GLU A 135 43.600 -3.030 4.632 1.00 0.00 C ATOM 1353 CD GLU A 135 44.230 -2.704 3.292 1.00 0.00 C ATOM 1354 OE1 GLU A 135 45.467 -2.820 3.174 1.00 0.00 O ATOM 1355 OE2 GLU A 135 43.484 -2.335 2.361 1.00 0.00 O ATOM 0 H GLU A 135 46.993 -2.524 5.619 1.00 0.00 H new ATOM 0 HA GLU A 135 44.913 -0.889 4.928 1.00 0.00 H new ATOM 0 HB2 GLU A 135 45.339 -3.587 5.747 1.00 0.00 H new ATOM 0 HB3 GLU A 135 44.020 -2.983 6.729 1.00 0.00 H new ATOM 0 HG2 GLU A 135 43.256 -4.064 4.625 1.00 0.00 H new ATOM 0 HG3 GLU A 135 42.721 -2.403 4.778 1.00 0.00 H new ATOM 1362 N ASP A 136 45.247 -1.024 8.211 1.00 0.00 N ATOM 1363 CA ASP A 136 44.863 -0.352 9.451 1.00 0.00 C ATOM 1364 C ASP A 136 45.006 1.163 9.320 1.00 0.00 C ATOM 1365 O ASP A 136 44.050 1.908 9.536 1.00 0.00 O ATOM 1366 CB ASP A 136 45.716 -0.857 10.614 1.00 0.00 C ATOM 1367 CG ASP A 136 45.094 -0.551 11.963 1.00 0.00 C ATOM 1368 OD1 ASP A 136 45.179 0.614 12.407 1.00 0.00 O ATOM 1369 OD2 ASP A 136 44.520 -1.476 12.575 1.00 0.00 O ATOM 0 H ASP A 136 45.929 -1.773 8.330 1.00 0.00 H new ATOM 0 HA ASP A 136 43.816 -0.583 9.649 1.00 0.00 H new ATOM 0 HB2 ASP A 136 45.856 -1.934 10.517 1.00 0.00 H new ATOM 0 HB3 ASP A 136 46.705 -0.401 10.561 1.00 0.00 H new ATOM 1374 N ALA A 137 46.204 1.610 8.959 1.00 0.00 N ATOM 1375 CA ALA A 137 46.471 3.035 8.795 1.00 0.00 C ATOM 1376 C ALA A 137 45.571 3.635 7.720 1.00 0.00 C ATOM 1377 O ALA A 137 44.909 4.648 7.943 1.00 0.00 O ATOM 1378 CB ALA A 137 47.934 3.261 8.451 1.00 0.00 C ATOM 0 H ALA A 137 47.005 1.007 8.774 1.00 0.00 H new ATOM 0 HA ALA A 137 46.253 3.536 9.738 1.00 0.00 H new ATOM 0 HB1 ALA A 137 48.119 4.329 8.331 1.00 0.00 H new ATOM 0 HB2 ALA A 137 48.561 2.872 9.253 1.00 0.00 H new ATOM 0 HB3 ALA A 137 48.173 2.745 7.521 1.00 0.00 H new ATOM 1384 N SER A 138 45.552 2.999 6.553 1.00 0.00 N ATOM 1385 CA SER A 138 44.733 3.462 5.437 1.00 0.00 C ATOM 1386 C SER A 138 43.264 3.550 5.840 1.00 0.00 C ATOM 1387 O SER A 138 42.610 4.572 5.630 1.00 0.00 O ATOM 1388 CB SER A 138 44.888 2.516 4.243 1.00 0.00 C ATOM 1389 OG SER A 138 45.454 3.188 3.131 1.00 0.00 O ATOM 0 H SER A 138 46.096 2.159 6.355 1.00 0.00 H new ATOM 0 HA SER A 138 45.074 4.458 5.154 1.00 0.00 H new ATOM 0 HB2 SER A 138 45.520 1.673 4.523 1.00 0.00 H new ATOM 0 HB3 SER A 138 43.915 2.108 3.969 1.00 0.00 H new ATOM 0 HG SER A 138 44.864 3.921 2.857 1.00 0.00 H new ATOM 1395 N PHE A 139 42.760 2.468 6.417 1.00 0.00 N ATOM 1396 CA PHE A 139 41.371 2.400 6.852 1.00 0.00 C ATOM 1397 C PHE A 139 41.113 3.321 8.044 1.00 0.00 C ATOM 1398 O PHE A 139 39.968 3.659 8.339 1.00 0.00 O ATOM 1399 CB PHE A 139 41.016 0.959 7.217 1.00 0.00 C ATOM 1400 CG PHE A 139 40.639 0.125 6.027 1.00 0.00 C ATOM 1401 CD1 PHE A 139 41.503 0.000 4.948 1.00 0.00 C ATOM 1402 CD2 PHE A 139 39.420 -0.529 5.982 1.00 0.00 C ATOM 1403 CE1 PHE A 139 41.155 -0.763 3.849 1.00 0.00 C ATOM 1404 CE2 PHE A 139 39.065 -1.294 4.886 1.00 0.00 C ATOM 1405 CZ PHE A 139 39.934 -1.410 3.819 1.00 0.00 C ATOM 0 H PHE A 139 43.297 1.619 6.596 1.00 0.00 H new ATOM 0 HA PHE A 139 40.740 2.735 6.029 1.00 0.00 H new ATOM 0 HB2 PHE A 139 41.866 0.499 7.721 1.00 0.00 H new ATOM 0 HB3 PHE A 139 40.189 0.964 7.927 1.00 0.00 H new ATOM 0 HD1 PHE A 139 42.458 0.504 4.967 1.00 0.00 H new ATOM 0 HD2 PHE A 139 38.737 -0.441 6.814 1.00 0.00 H new ATOM 0 HE1 PHE A 139 41.836 -0.853 3.016 1.00 0.00 H new ATOM 0 HE2 PHE A 139 38.111 -1.799 4.865 1.00 0.00 H new ATOM 0 HZ PHE A 139 39.660 -2.006 2.961 1.00 0.00 H new ATOM 1415 N ALA A 140 42.182 3.721 8.727 1.00 0.00 N ATOM 1416 CA ALA A 140 42.064 4.598 9.886 1.00 0.00 C ATOM 1417 C ALA A 140 42.340 6.057 9.522 1.00 0.00 C ATOM 1418 O ALA A 140 42.129 6.956 10.335 1.00 0.00 O ATOM 1419 CB ALA A 140 43.005 4.141 10.990 1.00 0.00 C ATOM 0 H ALA A 140 43.139 3.452 8.497 1.00 0.00 H new ATOM 0 HA ALA A 140 41.036 4.537 10.244 1.00 0.00 H new ATOM 0 HB1 ALA A 140 42.907 4.804 11.849 1.00 0.00 H new ATOM 0 HB2 ALA A 140 42.751 3.123 11.286 1.00 0.00 H new ATOM 0 HB3 ALA A 140 44.032 4.168 10.627 1.00 0.00 H new ATOM 1425 N LEU A 141 42.816 6.288 8.300 1.00 0.00 N ATOM 1426 CA LEU A 141 43.119 7.641 7.846 1.00 0.00 C ATOM 1427 C LEU A 141 41.899 8.292 7.203 1.00 0.00 C ATOM 1428 O LEU A 141 40.981 7.605 6.754 1.00 0.00 O ATOM 1429 CB LEU A 141 44.289 7.619 6.860 1.00 0.00 C ATOM 1430 CG LEU A 141 45.574 8.271 7.368 1.00 0.00 C ATOM 1431 CD1 LEU A 141 46.105 7.527 8.584 1.00 0.00 C ATOM 1432 CD2 LEU A 141 46.620 8.314 6.267 1.00 0.00 C ATOM 0 H LEU A 141 42.999 5.559 7.611 1.00 0.00 H new ATOM 0 HA LEU A 141 43.399 8.235 8.716 1.00 0.00 H new ATOM 0 HB2 LEU A 141 44.504 6.583 6.598 1.00 0.00 H new ATOM 0 HB3 LEU A 141 43.982 8.123 5.943 1.00 0.00 H new ATOM 0 HG LEU A 141 45.347 9.295 7.665 1.00 0.00 H new ATOM 0 HD11 LEU A 141 47.020 8.005 8.932 1.00 0.00 H new ATOM 0 HD12 LEU A 141 45.359 7.549 9.379 1.00 0.00 H new ATOM 0 HD13 LEU A 141 46.316 6.492 8.314 1.00 0.00 H new ATOM 0 HD21 LEU A 141 47.529 8.782 6.646 1.00 0.00 H new ATOM 0 HD22 LEU A 141 46.844 7.299 5.938 1.00 0.00 H new ATOM 0 HD23 LEU A 141 46.239 8.892 5.425 1.00 0.00 H new ATOM 1444 N ARG A 142 41.895 9.621 7.162 1.00 0.00 N ATOM 1445 CA ARG A 142 40.786 10.367 6.577 1.00 0.00 C ATOM 1446 C ARG A 142 41.107 10.804 5.149 1.00 0.00 C ATOM 1447 O ARG A 142 42.183 10.520 4.623 1.00 0.00 O ATOM 1448 CB ARG A 142 40.458 11.589 7.436 1.00 0.00 C ATOM 1449 CG ARG A 142 40.386 11.287 8.926 1.00 0.00 C ATOM 1450 CD ARG A 142 39.562 10.039 9.210 1.00 0.00 C ATOM 1451 NE ARG A 142 38.166 10.198 8.809 1.00 0.00 N ATOM 1452 CZ ARG A 142 37.220 10.718 9.590 1.00 0.00 C ATOM 1453 NH1 ARG A 142 37.514 11.143 10.813 1.00 0.00 N ATOM 1454 NH2 ARG A 142 35.975 10.818 9.142 1.00 0.00 N ATOM 0 H ARG A 142 42.648 10.204 7.527 1.00 0.00 H new ATOM 0 HA ARG A 142 39.918 9.708 6.545 1.00 0.00 H new ATOM 0 HB2 ARG A 142 41.214 12.356 7.266 1.00 0.00 H new ATOM 0 HB3 ARG A 142 39.504 12.005 7.112 1.00 0.00 H new ATOM 0 HG2 ARG A 142 41.394 11.154 9.319 1.00 0.00 H new ATOM 0 HG3 ARG A 142 39.949 12.138 9.449 1.00 0.00 H new ATOM 0 HD2 ARG A 142 39.996 9.191 8.681 1.00 0.00 H new ATOM 0 HD3 ARG A 142 39.609 9.809 10.274 1.00 0.00 H new ATOM 0 HE ARG A 142 37.899 9.892 7.873 1.00 0.00 H new ATOM 0 HH11 ARG A 142 38.470 11.073 11.161 1.00 0.00 H new ATOM 0 HH12 ARG A 142 36.784 11.540 11.404 1.00 0.00 H new ATOM 0 HH21 ARG A 142 35.744 10.497 8.202 1.00 0.00 H new ATOM 0 HH22 ARG A 142 35.249 11.216 9.738 1.00 0.00 H new ATOM 1468 N THR A 143 40.156 11.492 4.525 1.00 0.00 N ATOM 1469 CA THR A 143 40.322 11.967 3.157 1.00 0.00 C ATOM 1470 C THR A 143 41.504 12.923 3.041 1.00 0.00 C ATOM 1471 O THR A 143 41.581 13.925 3.751 1.00 0.00 O ATOM 1472 CB THR A 143 39.045 12.660 2.677 1.00 0.00 C ATOM 1473 OG1 THR A 143 37.902 11.896 3.017 1.00 0.00 O ATOM 1474 CG2 THR A 143 39.017 12.889 1.182 1.00 0.00 C ATOM 0 H THR A 143 39.259 11.733 4.947 1.00 0.00 H new ATOM 0 HA THR A 143 40.521 11.100 2.526 1.00 0.00 H new ATOM 0 HB THR A 143 39.035 13.628 3.177 1.00 0.00 H new ATOM 0 HG1 THR A 143 37.096 12.356 2.703 1.00 0.00 H new ATOM 0 HG21 THR A 143 38.085 13.384 0.907 1.00 0.00 H new ATOM 0 HG22 THR A 143 39.860 13.517 0.894 1.00 0.00 H new ATOM 0 HG23 THR A 143 39.085 11.931 0.666 1.00 0.00 H new ATOM 1482 N GLY A 144 42.418 12.612 2.126 1.00 0.00 N ATOM 1483 CA GLY A 144 43.579 13.456 1.913 1.00 0.00 C ATOM 1484 C GLY A 144 44.554 13.440 3.076 1.00 0.00 C ATOM 1485 O GLY A 144 45.283 14.408 3.292 1.00 0.00 O ATOM 0 H GLY A 144 42.374 11.788 1.527 1.00 0.00 H new ATOM 0 HA2 GLY A 144 44.096 13.130 1.010 1.00 0.00 H new ATOM 0 HA3 GLY A 144 43.248 14.480 1.739 1.00 0.00 H new ATOM 1489 N GLU A 145 44.577 12.342 3.825 1.00 0.00 N ATOM 1490 CA GLU A 145 45.481 12.223 4.963 1.00 0.00 C ATOM 1491 C GLU A 145 46.664 11.322 4.625 1.00 0.00 C ATOM 1492 O GLU A 145 46.516 10.322 3.922 1.00 0.00 O ATOM 1493 CB GLU A 145 44.741 11.675 6.183 1.00 0.00 C ATOM 1494 CG GLU A 145 44.250 12.757 7.131 1.00 0.00 C ATOM 1495 CD GLU A 145 44.365 12.352 8.586 1.00 0.00 C ATOM 1496 OE1 GLU A 145 43.648 11.415 9.000 1.00 0.00 O ATOM 1497 OE2 GLU A 145 45.169 12.969 9.315 1.00 0.00 O ATOM 0 H GLU A 145 43.984 11.527 3.666 1.00 0.00 H new ATOM 0 HA GLU A 145 45.858 13.219 5.197 1.00 0.00 H new ATOM 0 HB2 GLU A 145 43.889 11.084 5.846 1.00 0.00 H new ATOM 0 HB3 GLU A 145 45.402 11.000 6.726 1.00 0.00 H new ATOM 0 HG2 GLU A 145 44.824 13.668 6.965 1.00 0.00 H new ATOM 0 HG3 GLU A 145 43.210 12.990 6.903 1.00 0.00 H new ATOM 1504 N MET A 146 47.838 11.683 5.132 1.00 0.00 N ATOM 1505 CA MET A 146 49.049 10.909 4.888 1.00 0.00 C ATOM 1506 C MET A 146 49.515 10.223 6.163 1.00 0.00 C ATOM 1507 O MET A 146 49.704 10.864 7.197 1.00 0.00 O ATOM 1508 CB MET A 146 50.157 11.808 4.337 1.00 0.00 C ATOM 1509 CG MET A 146 50.695 11.348 2.990 1.00 0.00 C ATOM 1510 SD MET A 146 50.950 12.714 1.841 1.00 0.00 S ATOM 1511 CE MET A 146 52.522 12.256 1.116 1.00 0.00 C ATOM 0 H MET A 146 47.976 12.508 5.715 1.00 0.00 H new ATOM 0 HA MET A 146 48.819 10.143 4.147 1.00 0.00 H new ATOM 0 HB2 MET A 146 49.775 12.824 4.239 1.00 0.00 H new ATOM 0 HB3 MET A 146 50.977 11.843 5.055 1.00 0.00 H new ATOM 0 HG2 MET A 146 51.639 10.823 3.140 1.00 0.00 H new ATOM 0 HG3 MET A 146 49.999 10.633 2.550 1.00 0.00 H new ATOM 0 HE1 MET A 146 53.171 13.130 1.073 1.00 0.00 H new ATOM 0 HE2 MET A 146 52.993 11.485 1.725 1.00 0.00 H new ATOM 0 HE3 MET A 146 52.360 11.874 0.108 1.00 0.00 H new ATOM 1521 N SER A 147 49.693 8.912 6.082 1.00 0.00 N ATOM 1522 CA SER A 147 50.129 8.126 7.226 1.00 0.00 C ATOM 1523 C SER A 147 51.620 8.306 7.477 1.00 0.00 C ATOM 1524 O SER A 147 52.412 8.393 6.538 1.00 0.00 O ATOM 1525 CB SER A 147 49.802 6.646 6.998 1.00 0.00 C ATOM 1526 OG SER A 147 50.894 5.950 6.414 1.00 0.00 O ATOM 0 H SER A 147 49.541 8.369 5.232 1.00 0.00 H new ATOM 0 HA SER A 147 49.595 8.478 8.109 1.00 0.00 H new ATOM 0 HB2 SER A 147 49.540 6.181 7.948 1.00 0.00 H new ATOM 0 HB3 SER A 147 48.929 6.562 6.351 1.00 0.00 H new ATOM 0 HG SER A 147 51.075 5.135 6.928 1.00 0.00 H new ATOM 1532 N GLY A 148 52.001 8.354 8.748 1.00 0.00 N ATOM 1533 CA GLY A 148 53.400 8.514 9.093 1.00 0.00 C ATOM 1534 C GLY A 148 54.249 7.379 8.552 1.00 0.00 C ATOM 1535 O GLY A 148 53.717 6.414 8.006 1.00 0.00 O ATOM 0 H GLY A 148 51.367 8.285 9.544 1.00 0.00 H new ATOM 0 HA2 GLY A 148 53.766 9.461 8.697 1.00 0.00 H new ATOM 0 HA3 GLY A 148 53.504 8.560 10.177 1.00 0.00 H new ATOM 1539 N PRO A 149 55.582 7.463 8.689 1.00 0.00 N ATOM 1540 CA PRO A 149 56.488 6.420 8.200 1.00 0.00 C ATOM 1541 C PRO A 149 56.114 5.041 8.733 1.00 0.00 C ATOM 1542 O PRO A 149 56.138 4.804 9.941 1.00 0.00 O ATOM 1543 CB PRO A 149 57.855 6.850 8.736 1.00 0.00 C ATOM 1544 CG PRO A 149 57.740 8.320 8.948 1.00 0.00 C ATOM 1545 CD PRO A 149 56.309 8.577 9.326 1.00 0.00 C ATOM 0 HA PRO A 149 56.456 6.327 7.114 1.00 0.00 H new ATOM 0 HB2 PRO A 149 58.094 6.334 9.666 1.00 0.00 H new ATOM 0 HB3 PRO A 149 58.649 6.614 8.027 1.00 0.00 H new ATOM 0 HG2 PRO A 149 58.417 8.654 9.735 1.00 0.00 H new ATOM 0 HG3 PRO A 149 58.008 8.866 8.044 1.00 0.00 H new ATOM 0 HD2 PRO A 149 56.173 8.579 10.408 1.00 0.00 H new ATOM 0 HD3 PRO A 149 55.964 9.544 8.959 1.00 0.00 H new ATOM 1553 N VAL A 150 55.770 4.134 7.824 1.00 0.00 N ATOM 1554 CA VAL A 150 55.394 2.779 8.204 1.00 0.00 C ATOM 1555 C VAL A 150 56.493 1.789 7.843 1.00 0.00 C ATOM 1556 O VAL A 150 56.822 1.609 6.671 1.00 0.00 O ATOM 1557 CB VAL A 150 54.083 2.344 7.522 1.00 0.00 C ATOM 1558 CG1 VAL A 150 53.606 1.011 8.080 1.00 0.00 C ATOM 1559 CG2 VAL A 150 53.014 3.414 7.689 1.00 0.00 C ATOM 0 H VAL A 150 55.744 4.314 6.820 1.00 0.00 H new ATOM 0 HA VAL A 150 55.246 2.782 9.284 1.00 0.00 H new ATOM 0 HB VAL A 150 54.274 2.217 6.456 1.00 0.00 H new ATOM 0 HG11 VAL A 150 52.679 0.721 7.586 1.00 0.00 H new ATOM 0 HG12 VAL A 150 54.366 0.250 7.903 1.00 0.00 H new ATOM 0 HG13 VAL A 150 53.431 1.107 9.152 1.00 0.00 H new ATOM 0 HG21 VAL A 150 52.095 3.089 7.201 1.00 0.00 H new ATOM 0 HG22 VAL A 150 52.824 3.576 8.750 1.00 0.00 H new ATOM 0 HG23 VAL A 150 53.356 4.344 7.236 1.00 0.00 H new ATOM 1569 N PHE A 151 57.062 1.153 8.861 1.00 0.00 N ATOM 1570 CA PHE A 151 58.134 0.186 8.657 1.00 0.00 C ATOM 1571 C PHE A 151 57.584 -1.231 8.523 1.00 0.00 C ATOM 1572 O PHE A 151 56.939 -1.748 9.434 1.00 0.00 O ATOM 1573 CB PHE A 151 59.127 0.255 9.815 1.00 0.00 C ATOM 1574 CG PHE A 151 59.870 1.558 9.883 1.00 0.00 C ATOM 1575 CD1 PHE A 151 59.254 2.699 10.370 1.00 0.00 C ATOM 1576 CD2 PHE A 151 61.185 1.641 9.457 1.00 0.00 C ATOM 1577 CE1 PHE A 151 59.936 3.899 10.432 1.00 0.00 C ATOM 1578 CE2 PHE A 151 61.874 2.837 9.515 1.00 0.00 C ATOM 1579 CZ PHE A 151 61.248 3.967 10.005 1.00 0.00 C ATOM 0 H PHE A 151 56.798 1.290 9.837 1.00 0.00 H new ATOM 0 HA PHE A 151 58.645 0.439 7.728 1.00 0.00 H new ATOM 0 HB2 PHE A 151 58.593 0.100 10.752 1.00 0.00 H new ATOM 0 HB3 PHE A 151 59.844 -0.560 9.718 1.00 0.00 H new ATOM 0 HD1 PHE A 151 58.229 2.650 10.705 1.00 0.00 H new ATOM 0 HD2 PHE A 151 61.678 0.760 9.075 1.00 0.00 H new ATOM 0 HE1 PHE A 151 59.444 4.782 10.813 1.00 0.00 H new ATOM 0 HE2 PHE A 151 62.899 2.889 9.178 1.00 0.00 H new ATOM 0 HZ PHE A 151 61.784 4.903 10.054 1.00 0.00 H new ATOM 1589 N THR A 152 57.859 -1.854 7.383 1.00 0.00 N ATOM 1590 CA THR A 152 57.408 -3.216 7.121 1.00 0.00 C ATOM 1591 C THR A 152 58.574 -4.064 6.623 1.00 0.00 C ATOM 1592 O THR A 152 59.629 -3.533 6.275 1.00 0.00 O ATOM 1593 CB THR A 152 56.270 -3.219 6.093 1.00 0.00 C ATOM 1594 OG1 THR A 152 56.780 -3.115 4.775 1.00 0.00 O ATOM 1595 CG2 THR A 152 55.281 -2.090 6.291 1.00 0.00 C ATOM 0 H THR A 152 58.394 -1.436 6.622 1.00 0.00 H new ATOM 0 HA THR A 152 57.031 -3.643 8.050 1.00 0.00 H new ATOM 0 HB THR A 152 55.752 -4.167 6.242 1.00 0.00 H new ATOM 0 HG1 THR A 152 56.037 -3.120 4.136 1.00 0.00 H new ATOM 0 HG21 THR A 152 54.502 -2.151 5.531 1.00 0.00 H new ATOM 0 HG22 THR A 152 54.830 -2.171 7.280 1.00 0.00 H new ATOM 0 HG23 THR A 152 55.798 -1.134 6.205 1.00 0.00 H new ATOM 1603 N ASP A 153 58.383 -5.381 6.598 1.00 0.00 N ATOM 1604 CA ASP A 153 59.426 -6.307 6.149 1.00 0.00 C ATOM 1605 C ASP A 153 60.171 -5.762 4.933 1.00 0.00 C ATOM 1606 O ASP A 153 61.386 -5.926 4.808 1.00 0.00 O ATOM 1607 CB ASP A 153 58.811 -7.667 5.815 1.00 0.00 C ATOM 1608 CG ASP A 153 57.950 -8.205 6.940 1.00 0.00 C ATOM 1609 OD1 ASP A 153 56.811 -7.718 7.100 1.00 0.00 O ATOM 1610 OD2 ASP A 153 58.414 -9.114 7.661 1.00 0.00 O ATOM 0 H ASP A 153 57.515 -5.834 6.883 1.00 0.00 H new ATOM 0 HA ASP A 153 60.144 -6.421 6.961 1.00 0.00 H new ATOM 0 HB2 ASP A 153 58.208 -7.578 4.911 1.00 0.00 H new ATOM 0 HB3 ASP A 153 59.607 -8.379 5.598 1.00 0.00 H new ATOM 1615 N SER A 154 59.430 -5.116 4.041 1.00 0.00 N ATOM 1616 CA SER A 154 60.006 -4.545 2.830 1.00 0.00 C ATOM 1617 C SER A 154 60.810 -3.282 3.140 1.00 0.00 C ATOM 1618 O SER A 154 61.951 -3.142 2.700 1.00 0.00 O ATOM 1619 CB SER A 154 58.900 -4.229 1.819 1.00 0.00 C ATOM 1620 OG SER A 154 57.627 -4.582 2.327 1.00 0.00 O ATOM 0 H SER A 154 58.424 -4.974 4.134 1.00 0.00 H new ATOM 0 HA SER A 154 60.686 -5.281 2.401 1.00 0.00 H new ATOM 0 HB2 SER A 154 58.917 -3.166 1.578 1.00 0.00 H new ATOM 0 HB3 SER A 154 59.087 -4.769 0.891 1.00 0.00 H new ATOM 0 HG SER A 154 57.374 -3.957 3.038 1.00 0.00 H new ATOM 1626 N GLY A 155 60.211 -2.363 3.894 1.00 0.00 N ATOM 1627 CA GLY A 155 60.896 -1.129 4.237 1.00 0.00 C ATOM 1628 C GLY A 155 59.961 -0.084 4.815 1.00 0.00 C ATOM 1629 O GLY A 155 59.074 -0.406 5.604 1.00 0.00 O ATOM 0 H GLY A 155 59.268 -2.451 4.272 1.00 0.00 H new ATOM 0 HA2 GLY A 155 61.685 -1.344 4.958 1.00 0.00 H new ATOM 0 HA3 GLY A 155 61.379 -0.726 3.347 1.00 0.00 H new ATOM 1633 N ILE A 156 60.155 1.170 4.417 1.00 0.00 N ATOM 1634 CA ILE A 156 59.316 2.262 4.896 1.00 0.00 C ATOM 1635 C ILE A 156 58.234 2.584 3.875 1.00 0.00 C ATOM 1636 O ILE A 156 58.498 2.621 2.674 1.00 0.00 O ATOM 1637 CB ILE A 156 60.141 3.533 5.179 1.00 0.00 C ATOM 1638 CG1 ILE A 156 61.377 3.190 6.014 1.00 0.00 C ATOM 1639 CG2 ILE A 156 59.287 4.573 5.891 1.00 0.00 C ATOM 1640 CD1 ILE A 156 62.230 4.392 6.355 1.00 0.00 C ATOM 0 H ILE A 156 60.886 1.454 3.764 1.00 0.00 H new ATOM 0 HA ILE A 156 58.859 1.934 5.829 1.00 0.00 H new ATOM 0 HB ILE A 156 60.472 3.952 4.229 1.00 0.00 H new ATOM 0 HG12 ILE A 156 61.059 2.707 6.938 1.00 0.00 H new ATOM 0 HG13 ILE A 156 61.984 2.467 5.469 1.00 0.00 H new ATOM 0 HG21 ILE A 156 59.884 5.464 6.084 1.00 0.00 H new ATOM 0 HG22 ILE A 156 58.435 4.836 5.264 1.00 0.00 H new ATOM 0 HG23 ILE A 156 58.929 4.165 6.836 1.00 0.00 H new ATOM 0 HD11 ILE A 156 63.088 4.073 6.948 1.00 0.00 H new ATOM 0 HD12 ILE A 156 62.579 4.863 5.436 1.00 0.00 H new ATOM 0 HD13 ILE A 156 61.639 5.107 6.927 1.00 0.00 H new ATOM 1652 N HIS A 157 57.012 2.801 4.350 1.00 0.00 N ATOM 1653 CA HIS A 157 55.903 3.099 3.453 1.00 0.00 C ATOM 1654 C HIS A 157 55.138 4.348 3.870 1.00 0.00 C ATOM 1655 O HIS A 157 54.959 4.626 5.056 1.00 0.00 O ATOM 1656 CB HIS A 157 54.924 1.933 3.397 1.00 0.00 C ATOM 1657 CG HIS A 157 55.465 0.703 2.740 1.00 0.00 C ATOM 1658 ND1 HIS A 157 55.026 0.260 1.513 1.00 0.00 N ATOM 1659 CD2 HIS A 157 56.393 -0.197 3.152 1.00 0.00 C ATOM 1660 CE1 HIS A 157 55.653 -0.856 1.197 1.00 0.00 C ATOM 1661 NE2 HIS A 157 56.490 -1.155 2.175 1.00 0.00 N ATOM 0 H HIS A 157 56.767 2.777 5.340 1.00 0.00 H new ATOM 0 HA HIS A 157 56.345 3.271 2.472 1.00 0.00 H new ATOM 0 HB2 HIS A 157 54.617 1.683 4.413 1.00 0.00 H new ATOM 0 HB3 HIS A 157 54.029 2.251 2.863 1.00 0.00 H new ATOM 0 HD1 HIS A 157 54.324 0.724 0.937 1.00 0.00 H new ATOM 0 HD2 HIS A 157 56.951 -0.165 4.076 1.00 0.00 H new ATOM 0 HE1 HIS A 157 55.507 -1.428 0.293 1.00 0.00 H new ATOM 1670 N ILE A 158 54.662 5.072 2.866 1.00 0.00 N ATOM 1671 CA ILE A 158 53.875 6.277 3.072 1.00 0.00 C ATOM 1672 C ILE A 158 52.502 6.111 2.432 1.00 0.00 C ATOM 1673 O ILE A 158 52.397 5.975 1.219 1.00 0.00 O ATOM 1674 CB ILE A 158 54.580 7.514 2.476 1.00 0.00 C ATOM 1675 CG1 ILE A 158 55.563 8.076 3.488 1.00 0.00 C ATOM 1676 CG2 ILE A 158 53.574 8.582 2.058 1.00 0.00 C ATOM 1677 CD1 ILE A 158 56.259 9.332 3.015 1.00 0.00 C ATOM 0 H ILE A 158 54.812 4.839 1.884 1.00 0.00 H new ATOM 0 HA ILE A 158 53.765 6.431 4.145 1.00 0.00 H new ATOM 0 HB ILE A 158 55.119 7.205 1.581 1.00 0.00 H new ATOM 0 HG12 ILE A 158 55.034 8.290 4.417 1.00 0.00 H new ATOM 0 HG13 ILE A 158 56.312 7.318 3.715 1.00 0.00 H new ATOM 0 HG21 ILE A 158 54.104 9.439 1.643 1.00 0.00 H new ATOM 0 HG22 ILE A 158 52.900 8.173 1.305 1.00 0.00 H new ATOM 0 HG23 ILE A 158 52.997 8.899 2.927 1.00 0.00 H new ATOM 0 HD11 ILE A 158 56.947 9.679 3.786 1.00 0.00 H new ATOM 0 HD12 ILE A 158 56.815 9.118 2.102 1.00 0.00 H new ATOM 0 HD13 ILE A 158 55.518 10.105 2.815 1.00 0.00 H new ATOM 1689 N ILE A 159 51.455 6.118 3.246 1.00 0.00 N ATOM 1690 CA ILE A 159 50.101 5.961 2.734 1.00 0.00 C ATOM 1691 C ILE A 159 49.406 7.311 2.579 1.00 0.00 C ATOM 1692 O ILE A 159 49.698 8.261 3.306 1.00 0.00 O ATOM 1693 CB ILE A 159 49.264 5.043 3.650 1.00 0.00 C ATOM 1694 CG1 ILE A 159 49.824 3.623 3.615 1.00 0.00 C ATOM 1695 CG2 ILE A 159 47.798 5.046 3.231 1.00 0.00 C ATOM 1696 CD1 ILE A 159 49.656 2.872 4.919 1.00 0.00 C ATOM 0 H ILE A 159 51.517 6.230 4.258 1.00 0.00 H new ATOM 0 HA ILE A 159 50.180 5.498 1.751 1.00 0.00 H new ATOM 0 HB ILE A 159 49.324 5.424 4.669 1.00 0.00 H new ATOM 0 HG12 ILE A 159 49.330 3.066 2.819 1.00 0.00 H new ATOM 0 HG13 ILE A 159 50.884 3.666 3.364 1.00 0.00 H new ATOM 0 HG21 ILE A 159 47.229 4.392 3.892 1.00 0.00 H new ATOM 0 HG22 ILE A 159 47.403 6.060 3.296 1.00 0.00 H new ATOM 0 HG23 ILE A 159 47.712 4.689 2.205 1.00 0.00 H new ATOM 0 HD11 ILE A 159 50.077 1.871 4.819 1.00 0.00 H new ATOM 0 HD12 ILE A 159 50.174 3.406 5.716 1.00 0.00 H new ATOM 0 HD13 ILE A 159 48.596 2.797 5.162 1.00 0.00 H new ATOM 1708 N LEU A 160 48.491 7.383 1.618 1.00 0.00 N ATOM 1709 CA LEU A 160 47.751 8.610 1.350 1.00 0.00 C ATOM 1710 C LEU A 160 46.329 8.298 0.893 1.00 0.00 C ATOM 1711 O LEU A 160 46.114 7.859 -0.238 1.00 0.00 O ATOM 1712 CB LEU A 160 48.476 9.437 0.284 1.00 0.00 C ATOM 1713 CG LEU A 160 47.687 10.621 -0.279 1.00 0.00 C ATOM 1714 CD1 LEU A 160 48.625 11.753 -0.668 1.00 0.00 C ATOM 1715 CD2 LEU A 160 46.853 10.185 -1.475 1.00 0.00 C ATOM 0 H LEU A 160 48.244 6.602 1.010 1.00 0.00 H new ATOM 0 HA LEU A 160 47.695 9.186 2.274 1.00 0.00 H new ATOM 0 HB2 LEU A 160 49.406 9.812 0.710 1.00 0.00 H new ATOM 0 HB3 LEU A 160 48.747 8.778 -0.541 1.00 0.00 H new ATOM 0 HG LEU A 160 47.014 10.985 0.497 1.00 0.00 H new ATOM 0 HD11 LEU A 160 48.045 12.586 -1.066 1.00 0.00 H new ATOM 0 HD12 LEU A 160 49.179 12.084 0.210 1.00 0.00 H new ATOM 0 HD13 LEU A 160 49.324 11.402 -1.427 1.00 0.00 H new ATOM 0 HD21 LEU A 160 46.298 11.040 -1.863 1.00 0.00 H new ATOM 0 HD22 LEU A 160 47.509 9.795 -2.253 1.00 0.00 H new ATOM 0 HD23 LEU A 160 46.153 9.408 -1.167 1.00 0.00 H new ATOM 1727 N ARG A 161 45.360 8.525 1.774 1.00 0.00 N ATOM 1728 CA ARG A 161 43.960 8.268 1.452 1.00 0.00 C ATOM 1729 C ARG A 161 43.480 9.204 0.348 1.00 0.00 C ATOM 1730 O ARG A 161 43.581 10.424 0.470 1.00 0.00 O ATOM 1731 CB ARG A 161 43.086 8.432 2.696 1.00 0.00 C ATOM 1732 CG ARG A 161 41.902 7.478 2.738 1.00 0.00 C ATOM 1733 CD ARG A 161 40.592 8.192 2.443 1.00 0.00 C ATOM 1734 NE ARG A 161 39.684 8.160 3.588 1.00 0.00 N ATOM 1735 CZ ARG A 161 38.902 7.124 3.887 1.00 0.00 C ATOM 1736 NH1 ARG A 161 38.909 6.036 3.126 1.00 0.00 N ATOM 1737 NH2 ARG A 161 38.112 7.175 4.950 1.00 0.00 N ATOM 0 H ARG A 161 45.518 8.886 2.715 1.00 0.00 H new ATOM 0 HA ARG A 161 43.876 7.241 1.097 1.00 0.00 H new ATOM 0 HB2 ARG A 161 43.699 8.276 3.584 1.00 0.00 H new ATOM 0 HB3 ARG A 161 42.718 9.457 2.739 1.00 0.00 H new ATOM 0 HG2 ARG A 161 42.053 6.679 2.012 1.00 0.00 H new ATOM 0 HG3 ARG A 161 41.847 7.009 3.720 1.00 0.00 H new ATOM 0 HD2 ARG A 161 40.796 9.227 2.170 1.00 0.00 H new ATOM 0 HD3 ARG A 161 40.110 7.726 1.584 1.00 0.00 H new ATOM 0 HE ARG A 161 39.647 8.980 4.194 1.00 0.00 H new ATOM 0 HH11 ARG A 161 39.516 5.990 2.307 1.00 0.00 H new ATOM 0 HH12 ARG A 161 38.308 5.246 3.360 1.00 0.00 H new ATOM 0 HH21 ARG A 161 38.103 8.008 5.539 1.00 0.00 H new ATOM 0 HH22 ARG A 161 37.513 6.382 5.179 1.00 0.00 H new ATOM 1751 N THR A 162 42.957 8.626 -0.729 1.00 0.00 N ATOM 1752 CA THR A 162 42.463 9.415 -1.852 1.00 0.00 C ATOM 1753 C THR A 162 40.947 9.561 -1.792 1.00 0.00 C ATOM 1754 O THR A 162 40.413 10.666 -1.901 1.00 0.00 O ATOM 1755 CB THR A 162 42.881 8.776 -3.180 1.00 0.00 C ATOM 1756 OG1 THR A 162 43.761 7.688 -2.960 1.00 0.00 O ATOM 1757 CG2 THR A 162 43.572 9.744 -4.117 1.00 0.00 C ATOM 0 H THR A 162 42.865 7.617 -0.848 1.00 0.00 H new ATOM 0 HA THR A 162 42.905 10.409 -1.786 1.00 0.00 H new ATOM 0 HB THR A 162 41.953 8.443 -3.645 1.00 0.00 H new ATOM 0 HG1 THR A 162 44.127 7.385 -3.817 1.00 0.00 H new ATOM 0 HG21 THR A 162 43.842 9.228 -5.039 1.00 0.00 H new ATOM 0 HG22 THR A 162 42.900 10.570 -4.347 1.00 0.00 H new ATOM 0 HG23 THR A 162 44.473 10.131 -3.641 1.00 0.00 H new ATOM 1765 N GLU A 163 40.257 8.438 -1.618 1.00 0.00 N ATOM 1766 CA GLU A 163 38.801 8.440 -1.545 1.00 0.00 C ATOM 1767 C GLU A 163 38.305 7.369 -0.578 1.00 0.00 C ATOM 1768 O GLU A 163 38.130 6.212 -1.016 1.00 0.00 O ATOM 1769 CB GLU A 163 38.202 8.209 -2.933 1.00 0.00 C ATOM 1770 CG GLU A 163 36.682 8.261 -2.957 1.00 0.00 C ATOM 1771 CD GLU A 163 36.128 8.400 -4.361 1.00 0.00 C ATOM 1772 OE1 GLU A 163 36.208 9.510 -4.925 1.00 0.00 O ATOM 1773 OE2 GLU A 163 35.613 7.396 -4.897 1.00 0.00 O ATOM 1774 OXT GLU A 163 38.098 7.695 0.609 1.00 0.00 O ATOM 0 H GLU A 163 40.683 7.516 -1.525 1.00 0.00 H new ATOM 0 HA GLU A 163 38.480 9.414 -1.176 1.00 0.00 H new ATOM 0 HB2 GLU A 163 38.594 8.961 -3.618 1.00 0.00 H new ATOM 0 HB3 GLU A 163 38.530 7.238 -3.304 1.00 0.00 H new ATOM 0 HG2 GLU A 163 36.283 7.355 -2.501 1.00 0.00 H new ATOM 0 HG3 GLU A 163 36.341 9.100 -2.351 1.00 0.00 H new TER 1781 GLU A 163 HETATM 1782 S SO4 A 200 59.496 -7.552 -0.654 1.00 0.00 S HETATM 1783 O1 SO4 A 200 58.970 -8.897 -0.948 1.00 0.00 O HETATM 1784 O2 SO4 A 200 58.951 -7.081 0.633 1.00 0.00 O HETATM 1785 O3 SO4 A 200 59.099 -6.622 -1.727 1.00 0.00 O HETATM 1786 O4 SO4 A 200 60.967 -7.607 -0.571 1.00 0.00 O