USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 801 hydrogens (14 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 NoAdj-H: A 98 ASNHD21 : A 98 ASN ND2 : A 135 NAG C1 :(H bumps) USER MOD Set 1.1: A 66 THR OG1 : rot -60:sc= 1.27 USER MOD Set 1.2: A 121 TYR OH : rot 12:sc= 1.46 USER MOD Single : A 35 MET CE :methyl -161:sc= 0 (180deg=-0.252) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 152:sc= -0.974 (180deg=-3.36!) USER MOD Single : A 60 ASN : amide:sc= -1.09 X(o=-1.1,f=-1.4) USER MOD Single : A 62 ASN : amide:sc= -1.78! C(o=-1.8!,f=-7!) USER MOD Single : A 63 TYR OH : rot 165:sc= -2.16 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN :FLIP amide:sc= -4.26! C(o=-7.1!,f=-4.3!) USER MOD Single : A 78 MET CE :methyl 164:sc= -3.47 (180deg=-4.55!) USER MOD Single : A 80 ASN : amide:sc= 0.844 K(o=0.84,f=-0.0011) USER MOD Single : A 82 GLN : amide:sc= -0.97 X(o=-0.97,f=-1.3) USER MOD Single : A 84 TYR OH : rot 180:sc= -0.0103 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 MET CE :methyl -123:sc= -1.98 (180deg=-3.3!) USER MOD Single : A 93 SER OG : rot 61:sc= 1.26 USER MOD Single : A 94 GLN :FLIP amide:sc= -4.8! C(o=-7.4!,f=-4.8!) USER MOD Single : A 97 ASN : amide:sc= -6.05! C(o=-6.1!,f=-12!) USER MOD Single : A 100 THR OG1 : rot -61:sc= 0.0125 USER MOD Single : A 101 GLN :FLIP amide:sc= -0.435 F(o=-1.9!,f=-0.43) USER MOD Single : A 108 SER OG : rot 180:sc= 0.135 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot -81:sc= 1.13 USER MOD Single : A 120 LYS NZ :NH3+ 176:sc= 0.316 (180deg=0.121) USER MOD Single : A 125 GLN :FLIP amide:sc= -0.032 F(o=-2.1!,f=-0.032) USER MOD Single : A 126 TYR OH : rot -147:sc= 0.0617 USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 LYS NZ :NH3+ -161:sc= -0.143 (180deg=-0.775) USER MOD Single : A 135 NAG O3 : rot 180:sc= 0 USER MOD Single : A 135 NAG O4 : rot -150:sc= 0.64 USER MOD Single : A 135 NAG O6 : rot 180:sc= 0.614 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 29 -9.216 -14.630 -2.951 1.00 0.00 N ATOM 2 CA GLY A 29 -8.343 -13.908 -3.921 1.00 0.00 C ATOM 3 C GLY A 29 -7.891 -12.578 -3.322 1.00 0.00 C ATOM 4 O GLY A 29 -6.707 -12.380 -3.056 1.00 0.00 O ATOM 0 HA2 GLY A 29 -7.475 -14.520 -4.168 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -8.884 -13.733 -4.851 1.00 0.00 H new ATOM 10 N LEU A 30 -8.839 -11.666 -3.118 1.00 0.00 N ATOM 11 CA LEU A 30 -8.515 -10.357 -2.556 1.00 0.00 C ATOM 12 C LEU A 30 -7.451 -10.484 -1.463 1.00 0.00 C ATOM 13 O LEU A 30 -6.343 -9.969 -1.607 1.00 0.00 O ATOM 14 CB LEU A 30 -9.773 -9.703 -1.974 1.00 0.00 C ATOM 15 CG LEU A 30 -10.359 -8.708 -2.985 1.00 0.00 C ATOM 16 CD1 LEU A 30 -11.883 -8.689 -2.863 1.00 0.00 C ATOM 17 CD2 LEU A 30 -9.814 -7.305 -2.698 1.00 0.00 C ATOM 0 H LEU A 30 -9.827 -11.806 -3.331 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.122 -9.732 -3.358 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.512 -10.467 -1.732 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -9.529 -9.189 -1.044 1.00 0.00 H new ATOM 0 HG LEU A 30 -10.077 -9.013 -3.993 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -12.297 -7.982 -3.582 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -12.277 -9.685 -3.066 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -12.163 -8.387 -1.854 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -10.231 -6.599 -3.416 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -10.096 -7.005 -1.689 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -8.727 -7.312 -2.784 1.00 0.00 H new ATOM 29 N PRO A 31 -7.768 -11.158 -0.386 1.00 0.00 N ATOM 30 CA PRO A 31 -6.823 -11.360 0.757 1.00 0.00 C ATOM 31 C PRO A 31 -5.500 -11.977 0.311 1.00 0.00 C ATOM 32 O PRO A 31 -5.449 -12.720 -0.668 1.00 0.00 O ATOM 33 CB PRO A 31 -7.573 -12.308 1.707 1.00 0.00 C ATOM 34 CG PRO A 31 -8.724 -12.851 0.924 1.00 0.00 C ATOM 35 CD PRO A 31 -9.060 -11.802 -0.131 1.00 0.00 C ATOM 0 HA PRO A 31 -6.553 -10.413 1.225 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.922 -13.111 2.051 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -7.920 -11.777 2.594 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -8.463 -13.801 0.458 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -9.580 -13.039 1.572 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -9.469 -12.255 -1.034 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -9.801 -11.089 0.231 1.00 0.00 H new ATOM 43 N PHE A 32 -4.432 -11.664 1.038 1.00 0.00 N ATOM 44 CA PHE A 32 -3.119 -12.196 0.702 1.00 0.00 C ATOM 45 C PHE A 32 -2.240 -12.314 1.941 1.00 0.00 C ATOM 46 O PHE A 32 -1.824 -13.413 2.309 1.00 0.00 O ATOM 47 CB PHE A 32 -2.438 -11.293 -0.330 1.00 0.00 C ATOM 48 CG PHE A 32 -2.247 -9.901 0.235 1.00 0.00 C ATOM 49 CD1 PHE A 32 -3.292 -8.971 0.169 1.00 0.00 C ATOM 50 CD2 PHE A 32 -1.025 -9.538 0.816 1.00 0.00 C ATOM 51 CE1 PHE A 32 -3.116 -7.680 0.684 1.00 0.00 C ATOM 52 CE2 PHE A 32 -0.849 -8.247 1.329 1.00 0.00 C ATOM 53 CZ PHE A 32 -1.894 -7.319 1.263 1.00 0.00 C ATOM 0 H PHE A 32 -4.450 -11.052 1.854 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.255 -13.193 0.282 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.473 -11.714 -0.611 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -3.042 -11.245 -1.236 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -4.234 -9.249 -0.279 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.218 -10.254 0.868 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.923 -6.964 0.634 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.094 -7.968 1.776 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.758 -6.324 1.659 1.00 0.00 H new ATOM 63 N GLY A 33 -1.955 -11.189 2.578 1.00 0.00 N ATOM 64 CA GLY A 33 -1.119 -11.202 3.770 1.00 0.00 C ATOM 65 C GLY A 33 0.267 -11.734 3.436 1.00 0.00 C ATOM 66 O GLY A 33 1.097 -11.942 4.322 1.00 0.00 O ATOM 0 H GLY A 33 -2.285 -10.266 2.295 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.041 -10.195 4.179 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.579 -11.823 4.539 1.00 0.00 H new ATOM 70 N LEU A 34 0.512 -11.957 2.149 1.00 0.00 N ATOM 71 CA LEU A 34 1.801 -12.467 1.715 1.00 0.00 C ATOM 72 C LEU A 34 2.055 -12.119 0.252 1.00 0.00 C ATOM 73 O LEU A 34 1.443 -12.685 -0.654 1.00 0.00 O ATOM 74 CB LEU A 34 1.856 -13.984 1.915 1.00 0.00 C ATOM 75 CG LEU A 34 3.297 -14.401 2.205 1.00 0.00 C ATOM 76 CD1 LEU A 34 4.196 -13.939 1.059 1.00 0.00 C ATOM 77 CD2 LEU A 34 3.757 -13.745 3.511 1.00 0.00 C ATOM 0 H LEU A 34 -0.159 -11.794 1.398 1.00 0.00 H new ATOM 0 HA LEU A 34 2.580 -11.999 2.317 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.207 -14.278 2.740 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.490 -14.494 1.024 1.00 0.00 H new ATOM 0 HG LEU A 34 3.356 -15.485 2.299 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.225 -14.235 1.262 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.864 -14.398 0.128 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.141 -12.854 0.968 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.785 -14.039 3.723 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.703 -12.661 3.412 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.111 -14.068 4.328 1.00 0.00 H new ATOM 89 N MET A 35 2.968 -11.176 0.040 1.00 0.00 N ATOM 90 CA MET A 35 3.315 -10.738 -1.305 1.00 0.00 C ATOM 91 C MET A 35 2.074 -10.318 -2.076 1.00 0.00 C ATOM 92 O MET A 35 1.035 -10.976 -2.016 1.00 0.00 O ATOM 93 CB MET A 35 4.037 -11.859 -2.055 1.00 0.00 C ATOM 94 CG MET A 35 5.539 -11.567 -2.085 1.00 0.00 C ATOM 95 SD MET A 35 6.411 -12.963 -2.838 1.00 0.00 S ATOM 96 CE MET A 35 8.080 -12.484 -2.337 1.00 0.00 C ATOM 0 H MET A 35 3.480 -10.701 0.783 1.00 0.00 H new ATOM 0 HA MET A 35 3.978 -9.877 -1.221 1.00 0.00 H new ATOM 0 HB2 MET A 35 3.851 -12.816 -1.567 1.00 0.00 H new ATOM 0 HB3 MET A 35 3.651 -11.939 -3.071 1.00 0.00 H new ATOM 0 HG2 MET A 35 5.732 -10.656 -2.651 1.00 0.00 H new ATOM 0 HG3 MET A 35 5.907 -11.397 -1.073 1.00 0.00 H new ATOM 0 HE1 MET A 35 8.809 -13.001 -2.961 1.00 0.00 H new ATOM 0 HE2 MET A 35 8.200 -11.407 -2.454 1.00 0.00 H new ATOM 0 HE3 MET A 35 8.238 -12.755 -1.293 1.00 0.00 H new ATOM 106 N ARG A 36 2.198 -9.218 -2.806 1.00 0.00 N ATOM 107 CA ARG A 36 1.095 -8.710 -3.600 1.00 0.00 C ATOM 108 C ARG A 36 1.113 -9.348 -4.982 1.00 0.00 C ATOM 109 O ARG A 36 2.172 -9.724 -5.483 1.00 0.00 O ATOM 110 CB ARG A 36 1.207 -7.192 -3.692 1.00 0.00 C ATOM 111 CG ARG A 36 1.038 -6.616 -2.285 1.00 0.00 C ATOM 112 CD ARG A 36 1.145 -5.097 -2.326 1.00 0.00 C ATOM 113 NE ARG A 36 0.094 -4.498 -1.513 1.00 0.00 N ATOM 114 CZ ARG A 36 -1.104 -4.248 -2.030 1.00 0.00 C ATOM 115 NH1 ARG A 36 -1.350 -4.559 -3.270 1.00 0.00 N ATOM 116 NH2 ARG A 36 -2.035 -3.702 -1.297 1.00 0.00 N ATOM 0 H ARG A 36 3.052 -8.663 -2.863 1.00 0.00 H new ATOM 0 HA ARG A 36 0.146 -8.964 -3.128 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.174 -6.906 -4.106 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.443 -6.794 -4.360 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.071 -6.909 -1.877 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.801 -7.025 -1.622 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.122 -4.784 -1.959 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.064 -4.747 -3.355 1.00 0.00 H new ATOM 0 HE ARG A 36 0.280 -4.268 -0.537 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -0.624 -4.993 -3.841 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.268 -4.369 -3.671 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.844 -3.465 -0.323 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.953 -3.512 -1.698 1.00 0.00 H new ATOM 130 N ARG A 37 -0.058 -9.478 -5.595 1.00 0.00 N ATOM 131 CA ARG A 37 -0.135 -10.092 -6.912 1.00 0.00 C ATOM 132 C ARG A 37 -1.244 -9.481 -7.760 1.00 0.00 C ATOM 133 O ARG A 37 -2.373 -9.292 -7.305 1.00 0.00 O ATOM 134 CB ARG A 37 -0.375 -11.592 -6.760 1.00 0.00 C ATOM 135 CG ARG A 37 -0.578 -12.226 -8.135 1.00 0.00 C ATOM 136 CD ARG A 37 -0.783 -13.733 -7.965 1.00 0.00 C ATOM 137 NE ARG A 37 -1.974 -13.993 -7.164 1.00 0.00 N ATOM 138 CZ ARG A 37 -2.612 -15.159 -7.234 1.00 0.00 C ATOM 139 NH1 ARG A 37 -2.160 -16.103 -8.011 1.00 0.00 N ATOM 140 NH2 ARG A 37 -3.688 -15.357 -6.522 1.00 0.00 N ATOM 0 H ARG A 37 -0.951 -9.172 -5.209 1.00 0.00 H new ATOM 0 HA ARG A 37 0.811 -9.910 -7.422 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.473 -12.056 -6.257 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.251 -11.768 -6.135 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.442 -11.782 -8.630 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.287 -12.033 -8.770 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.883 -14.206 -8.942 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.090 -14.174 -7.485 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.325 -13.268 -6.538 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.318 -15.948 -8.565 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -2.649 -16.997 -8.065 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -4.039 -14.618 -5.913 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -4.177 -16.250 -6.575 1.00 0.00 H new ATOM 154 N GLU A 38 -0.893 -9.183 -9.001 1.00 0.00 N ATOM 155 CA GLU A 38 -1.835 -8.595 -9.946 1.00 0.00 C ATOM 156 C GLU A 38 -1.770 -9.316 -11.278 1.00 0.00 C ATOM 157 O GLU A 38 -0.702 -9.745 -11.717 1.00 0.00 O ATOM 158 CB GLU A 38 -1.514 -7.114 -10.164 1.00 0.00 C ATOM 159 CG GLU A 38 -1.892 -6.314 -8.919 1.00 0.00 C ATOM 160 CD GLU A 38 -0.953 -6.659 -7.770 1.00 0.00 C ATOM 161 OE1 GLU A 38 0.015 -7.363 -8.012 1.00 0.00 O ATOM 162 OE2 GLU A 38 -1.205 -6.203 -6.666 1.00 0.00 O ATOM 0 H GLU A 38 0.041 -9.339 -9.380 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.838 -8.694 -9.530 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.453 -6.990 -10.379 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.060 -6.738 -11.029 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.840 -5.247 -9.133 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.922 -6.532 -8.636 1.00 0.00 H new ATOM 169 N LEU A 39 -2.916 -9.436 -11.926 1.00 0.00 N ATOM 170 CA LEU A 39 -2.979 -10.094 -13.216 1.00 0.00 C ATOM 171 C LEU A 39 -3.938 -9.333 -14.132 1.00 0.00 C ATOM 172 O LEU A 39 -5.007 -8.901 -13.701 1.00 0.00 O ATOM 173 CB LEU A 39 -3.444 -11.544 -13.038 1.00 0.00 C ATOM 174 CG LEU A 39 -3.046 -12.367 -14.266 1.00 0.00 C ATOM 175 CD1 LEU A 39 -3.168 -13.858 -13.944 1.00 0.00 C ATOM 176 CD2 LEU A 39 -3.966 -12.022 -15.438 1.00 0.00 C ATOM 0 H LEU A 39 -3.810 -9.088 -11.581 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.988 -10.101 -13.671 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.997 -11.972 -12.141 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.525 -11.575 -12.902 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.015 -12.136 -14.536 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.885 -14.443 -14.819 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.509 -14.106 -13.112 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.198 -14.088 -13.671 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.680 -12.610 -16.310 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.998 -12.249 -15.170 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.877 -10.961 -15.670 1.00 0.00 H new ATOM 188 N ALA A 40 -3.551 -9.158 -15.394 1.00 0.00 N ATOM 189 CA ALA A 40 -4.398 -8.435 -16.340 1.00 0.00 C ATOM 190 C ALA A 40 -4.434 -9.152 -17.685 1.00 0.00 C ATOM 191 O ALA A 40 -3.429 -9.692 -18.148 1.00 0.00 O ATOM 192 CB ALA A 40 -3.876 -7.007 -16.535 1.00 0.00 C ATOM 0 H ALA A 40 -2.671 -9.500 -15.781 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.408 -8.397 -15.932 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.516 -6.479 -17.242 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.882 -6.484 -15.579 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.858 -7.042 -16.923 1.00 0.00 H new ATOM 198 N CYS A 41 -5.611 -9.164 -18.295 1.00 0.00 N ATOM 199 CA CYS A 41 -5.799 -9.831 -19.573 1.00 0.00 C ATOM 200 C CYS A 41 -5.010 -9.135 -20.682 1.00 0.00 C ATOM 201 O CYS A 41 -4.993 -7.907 -20.771 1.00 0.00 O ATOM 202 CB CYS A 41 -7.289 -9.830 -19.907 1.00 0.00 C ATOM 203 SG CYS A 41 -8.212 -10.555 -18.527 1.00 0.00 S ATOM 0 H CYS A 41 -6.450 -8.718 -17.924 1.00 0.00 H new ATOM 0 HA CYS A 41 -5.430 -10.854 -19.500 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.631 -8.812 -20.093 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.469 -10.399 -20.819 1.00 0.00 H new ATOM 208 N GLU A 42 -4.348 -9.933 -21.521 1.00 0.00 N ATOM 209 CA GLU A 42 -3.549 -9.386 -22.617 1.00 0.00 C ATOM 210 C GLU A 42 -4.310 -8.320 -23.387 1.00 0.00 C ATOM 211 O GLU A 42 -5.480 -8.492 -23.724 1.00 0.00 O ATOM 212 CB GLU A 42 -3.140 -10.494 -23.591 1.00 0.00 C ATOM 213 CG GLU A 42 -2.310 -9.888 -24.726 1.00 0.00 C ATOM 214 CD GLU A 42 -1.985 -10.954 -25.767 1.00 0.00 C ATOM 215 OE1 GLU A 42 -2.388 -12.087 -25.573 1.00 0.00 O ATOM 216 OE2 GLU A 42 -1.340 -10.618 -26.746 1.00 0.00 O ATOM 0 H GLU A 42 -4.349 -10.951 -21.463 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.663 -8.936 -22.170 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.562 -11.257 -23.070 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.026 -10.985 -23.994 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.860 -9.070 -25.192 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.388 -9.466 -24.327 1.00 0.00 H new ATOM 223 N GLY A 43 -3.618 -7.232 -23.687 1.00 0.00 N ATOM 224 CA GLY A 43 -4.208 -6.147 -24.450 1.00 0.00 C ATOM 225 C GLY A 43 -4.747 -5.024 -23.574 1.00 0.00 C ATOM 226 O GLY A 43 -5.004 -3.928 -24.074 1.00 0.00 O ATOM 0 H GLY A 43 -2.648 -7.078 -23.413 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.460 -5.741 -25.131 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.018 -6.541 -25.064 1.00 0.00 H new ATOM 230 N TYR A 44 -4.927 -5.270 -22.281 1.00 0.00 N ATOM 231 CA TYR A 44 -5.440 -4.234 -21.405 1.00 0.00 C ATOM 232 C TYR A 44 -4.339 -3.701 -20.498 1.00 0.00 C ATOM 233 O TYR A 44 -3.358 -4.387 -20.222 1.00 0.00 O ATOM 234 CB TYR A 44 -6.567 -4.808 -20.554 1.00 0.00 C ATOM 235 CG TYR A 44 -7.833 -4.832 -21.368 1.00 0.00 C ATOM 236 CD1 TYR A 44 -8.615 -3.679 -21.471 1.00 0.00 C ATOM 237 CD2 TYR A 44 -8.225 -6.007 -22.021 1.00 0.00 C ATOM 238 CE1 TYR A 44 -9.792 -3.696 -22.226 1.00 0.00 C ATOM 239 CE2 TYR A 44 -9.403 -6.025 -22.777 1.00 0.00 C ATOM 240 CZ TYR A 44 -10.186 -4.869 -22.880 1.00 0.00 C ATOM 241 OH TYR A 44 -11.348 -4.886 -23.624 1.00 0.00 O ATOM 0 H TYR A 44 -4.729 -6.161 -21.827 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.814 -3.412 -22.015 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.313 -5.815 -20.223 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.707 -4.204 -19.658 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -8.310 -2.774 -20.967 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -7.620 -6.898 -21.942 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -10.397 -2.805 -22.304 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -9.708 -6.930 -23.281 1.00 0.00 H new ATOM 0 HH TYR A 44 -11.475 -5.777 -24.012 1.00 0.00 H new ATOM 251 N PRO A 45 -4.484 -2.501 -20.018 1.00 0.00 N ATOM 252 CA PRO A 45 -3.485 -1.893 -19.114 1.00 0.00 C ATOM 253 C PRO A 45 -3.606 -2.444 -17.705 1.00 0.00 C ATOM 254 O PRO A 45 -4.693 -2.818 -17.265 1.00 0.00 O ATOM 255 CB PRO A 45 -3.809 -0.403 -19.164 1.00 0.00 C ATOM 256 CG PRO A 45 -5.266 -0.331 -19.483 1.00 0.00 C ATOM 257 CD PRO A 45 -5.610 -1.592 -20.281 1.00 0.00 C ATOM 0 HA PRO A 45 -2.460 -2.107 -19.415 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -3.590 0.080 -18.212 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.214 0.104 -19.923 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -5.859 -0.278 -18.570 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.491 0.565 -20.061 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -6.556 -2.024 -19.955 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.708 -1.376 -21.345 1.00 0.00 H new ATOM 265 N ILE A 46 -2.489 -2.486 -16.999 1.00 0.00 N ATOM 266 CA ILE A 46 -2.485 -2.986 -15.633 1.00 0.00 C ATOM 267 C ILE A 46 -1.982 -1.892 -14.701 1.00 0.00 C ATOM 268 O ILE A 46 -1.141 -1.083 -15.087 1.00 0.00 O ATOM 269 CB ILE A 46 -1.586 -4.219 -15.522 1.00 0.00 C ATOM 270 CG1 ILE A 46 -1.771 -4.861 -14.144 1.00 0.00 C ATOM 271 CG2 ILE A 46 -0.129 -3.803 -15.696 1.00 0.00 C ATOM 272 CD1 ILE A 46 -1.020 -6.194 -14.098 1.00 0.00 C ATOM 0 H ILE A 46 -1.579 -2.182 -17.345 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.499 -3.270 -15.351 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.855 -4.936 -16.298 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.398 -4.194 -13.367 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.831 -5.021 -13.945 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.512 -4.681 -15.617 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.004 -3.344 -16.676 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.140 -3.086 -14.920 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.151 -6.652 -13.118 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.414 -6.860 -14.865 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.041 -6.020 -14.278 1.00 0.00 H new ATOM 284 N GLU A 47 -2.524 -1.850 -13.493 1.00 0.00 N ATOM 285 CA GLU A 47 -2.129 -0.817 -12.544 1.00 0.00 C ATOM 286 C GLU A 47 -1.735 -1.405 -11.198 1.00 0.00 C ATOM 287 O GLU A 47 -2.486 -2.171 -10.593 1.00 0.00 O ATOM 288 CB GLU A 47 -3.280 0.165 -12.348 1.00 0.00 C ATOM 289 CG GLU A 47 -2.783 1.366 -11.552 1.00 0.00 C ATOM 290 CD GLU A 47 -3.944 2.297 -11.247 1.00 0.00 C ATOM 291 OE1 GLU A 47 -5.072 1.912 -11.507 1.00 0.00 O ATOM 292 OE2 GLU A 47 -3.686 3.382 -10.765 1.00 0.00 O ATOM 0 H GLU A 47 -3.226 -2.506 -13.150 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.259 -0.304 -12.955 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.666 0.489 -13.314 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.102 -0.320 -11.822 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.319 1.032 -10.624 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.018 1.897 -12.118 1.00 0.00 H new ATOM 299 N LEU A 48 -0.560 -1.019 -10.726 1.00 0.00 N ATOM 300 CA LEU A 48 -0.071 -1.485 -9.441 1.00 0.00 C ATOM 301 C LEU A 48 -0.046 -0.317 -8.461 1.00 0.00 C ATOM 302 O LEU A 48 0.225 0.816 -8.860 1.00 0.00 O ATOM 303 CB LEU A 48 1.329 -2.069 -9.606 1.00 0.00 C ATOM 304 CG LEU A 48 1.305 -3.098 -10.740 1.00 0.00 C ATOM 305 CD1 LEU A 48 2.727 -3.573 -11.036 1.00 0.00 C ATOM 306 CD2 LEU A 48 0.447 -4.297 -10.329 1.00 0.00 C ATOM 0 H LEU A 48 0.072 -0.384 -11.215 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.730 -2.262 -9.054 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.044 -1.277 -9.830 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.654 -2.538 -8.677 1.00 0.00 H new ATOM 0 HG LEU A 48 0.883 -2.636 -11.632 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.705 -4.305 -11.843 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.340 -2.722 -11.334 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.151 -4.031 -10.142 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.432 -5.028 -11.138 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.867 -4.755 -9.434 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.570 -3.963 -10.122 1.00 0.00 H new ATOM 318 N ARG A 49 -0.323 -0.576 -7.188 1.00 0.00 N ATOM 319 CA ARG A 49 -0.313 0.503 -6.202 1.00 0.00 C ATOM 320 C ARG A 49 0.108 0.003 -4.825 1.00 0.00 C ATOM 321 O ARG A 49 -0.390 -1.013 -4.334 1.00 0.00 O ATOM 322 CB ARG A 49 -1.698 1.144 -6.095 1.00 0.00 C ATOM 323 CG ARG A 49 -2.022 1.885 -7.393 1.00 0.00 C ATOM 324 CD ARG A 49 -3.312 2.686 -7.204 1.00 0.00 C ATOM 325 NE ARG A 49 -3.716 3.306 -8.463 1.00 0.00 N ATOM 326 CZ ARG A 49 -4.335 4.485 -8.475 1.00 0.00 C ATOM 327 NH1 ARG A 49 -4.590 5.093 -7.350 1.00 0.00 N ATOM 328 NH2 ARG A 49 -4.691 5.035 -9.606 1.00 0.00 N ATOM 0 H ARG A 49 -0.552 -1.499 -6.819 1.00 0.00 H new ATOM 0 HA ARG A 49 0.413 1.241 -6.543 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.450 0.379 -5.904 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.726 1.836 -5.253 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.202 2.551 -7.660 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.137 1.175 -8.212 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.105 2.031 -6.843 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.163 3.454 -6.445 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.522 2.830 -9.344 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.316 4.665 -6.466 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -5.064 5.996 -7.354 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.495 4.561 -10.488 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.165 5.938 -9.607 1.00 0.00 H new ATOM 342 N CYS A 50 1.018 0.750 -4.204 1.00 0.00 N ATOM 343 CA CYS A 50 1.507 0.422 -2.874 1.00 0.00 C ATOM 344 C CYS A 50 0.815 1.296 -1.836 1.00 0.00 C ATOM 345 O CYS A 50 0.472 2.445 -2.111 1.00 0.00 O ATOM 346 CB CYS A 50 3.014 0.662 -2.797 1.00 0.00 C ATOM 347 SG CYS A 50 3.905 -0.810 -3.358 1.00 0.00 S ATOM 0 H CYS A 50 1.432 1.591 -4.607 1.00 0.00 H new ATOM 0 HA CYS A 50 1.292 -0.628 -2.674 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.286 1.519 -3.414 1.00 0.00 H new ATOM 0 HB3 CYS A 50 3.300 0.902 -1.773 1.00 0.00 H new ATOM 352 N PRO A 51 0.619 0.784 -0.656 1.00 0.00 N ATOM 353 CA PRO A 51 -0.033 1.543 0.448 1.00 0.00 C ATOM 354 C PRO A 51 0.902 2.586 1.062 1.00 0.00 C ATOM 355 O PRO A 51 2.123 2.479 0.959 1.00 0.00 O ATOM 356 CB PRO A 51 -0.380 0.460 1.467 1.00 0.00 C ATOM 357 CG PRO A 51 0.622 -0.625 1.242 1.00 0.00 C ATOM 358 CD PRO A 51 0.992 -0.578 -0.240 1.00 0.00 C ATOM 0 HA PRO A 51 -0.899 2.108 0.103 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -0.322 0.844 2.485 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -1.396 0.094 1.322 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.503 -0.474 1.866 1.00 0.00 H new ATOM 0 HG3 PRO A 51 0.206 -1.597 1.507 1.00 0.00 H new ATOM 0 HD2 PRO A 51 2.055 -0.765 -0.392 1.00 0.00 H new ATOM 0 HD3 PRO A 51 0.451 -1.332 -0.811 1.00 0.00 H new ATOM 366 N GLY A 52 0.316 3.576 1.730 1.00 0.00 N ATOM 367 CA GLY A 52 1.094 4.619 2.397 1.00 0.00 C ATOM 368 C GLY A 52 2.112 5.274 1.466 1.00 0.00 C ATOM 369 O GLY A 52 1.779 5.724 0.370 1.00 0.00 O ATOM 0 H GLY A 52 -0.694 3.679 1.824 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.418 5.381 2.784 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.613 4.189 3.253 1.00 0.00 H new ATOM 373 N SER A 53 3.356 5.320 1.931 1.00 0.00 N ATOM 374 CA SER A 53 4.446 5.916 1.163 1.00 0.00 C ATOM 375 C SER A 53 5.443 4.846 0.742 1.00 0.00 C ATOM 376 O SER A 53 6.616 5.132 0.495 1.00 0.00 O ATOM 377 CB SER A 53 5.142 6.985 1.999 1.00 0.00 C ATOM 378 OG SER A 53 5.606 6.408 3.212 1.00 0.00 O ATOM 0 H SER A 53 3.636 4.950 2.839 1.00 0.00 H new ATOM 0 HA SER A 53 4.035 6.378 0.265 1.00 0.00 H new ATOM 0 HB2 SER A 53 5.977 7.410 1.443 1.00 0.00 H new ATOM 0 HB3 SER A 53 4.452 7.802 2.212 1.00 0.00 H new ATOM 0 HG SER A 53 6.055 7.093 3.750 1.00 0.00 H new ATOM 384 N ASP A 54 4.958 3.617 0.657 1.00 0.00 N ATOM 385 CA ASP A 54 5.789 2.496 0.255 1.00 0.00 C ATOM 386 C ASP A 54 5.982 2.502 -1.258 1.00 0.00 C ATOM 387 O ASP A 54 5.272 3.208 -1.974 1.00 0.00 O ATOM 388 CB ASP A 54 5.113 1.198 0.686 1.00 0.00 C ATOM 389 CG ASP A 54 4.958 1.172 2.201 1.00 0.00 C ATOM 390 OD1 ASP A 54 5.661 1.919 2.861 1.00 0.00 O ATOM 391 OD2 ASP A 54 4.140 0.406 2.680 1.00 0.00 O ATOM 0 H ASP A 54 3.989 3.371 0.862 1.00 0.00 H new ATOM 0 HA ASP A 54 6.766 2.578 0.731 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.136 1.111 0.210 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.704 0.343 0.358 1.00 0.00 H new ATOM 396 N VAL A 55 6.922 1.700 -1.749 1.00 0.00 N ATOM 397 CA VAL A 55 7.153 1.627 -3.190 1.00 0.00 C ATOM 398 C VAL A 55 7.113 0.185 -3.662 1.00 0.00 C ATOM 399 O VAL A 55 7.522 -0.730 -2.946 1.00 0.00 O ATOM 400 CB VAL A 55 8.506 2.241 -3.564 1.00 0.00 C ATOM 401 CG1 VAL A 55 8.513 3.728 -3.213 1.00 0.00 C ATOM 402 CG2 VAL A 55 9.626 1.529 -2.799 1.00 0.00 C ATOM 0 H VAL A 55 7.526 1.102 -1.185 1.00 0.00 H new ATOM 0 HA VAL A 55 6.360 2.193 -3.679 1.00 0.00 H new ATOM 0 HB VAL A 55 8.668 2.122 -4.635 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.477 4.160 -3.481 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.722 4.236 -3.765 1.00 0.00 H new ATOM 0 HG13 VAL A 55 8.345 3.850 -2.143 1.00 0.00 H new ATOM 0 HG21 VAL A 55 10.587 1.969 -3.068 1.00 0.00 H new ATOM 0 HG22 VAL A 55 9.463 1.641 -1.727 1.00 0.00 H new ATOM 0 HG23 VAL A 55 9.627 0.470 -3.057 1.00 0.00 H new ATOM 412 N ILE A 56 6.618 -0.010 -4.875 1.00 0.00 N ATOM 413 CA ILE A 56 6.530 -1.346 -5.439 1.00 0.00 C ATOM 414 C ILE A 56 7.917 -1.890 -5.755 1.00 0.00 C ATOM 415 O ILE A 56 8.760 -1.193 -6.321 1.00 0.00 O ATOM 416 CB ILE A 56 5.681 -1.334 -6.718 1.00 0.00 C ATOM 417 CG1 ILE A 56 4.257 -0.880 -6.384 1.00 0.00 C ATOM 418 CG2 ILE A 56 5.634 -2.740 -7.326 1.00 0.00 C ATOM 419 CD1 ILE A 56 3.420 -0.783 -7.665 1.00 0.00 C ATOM 0 H ILE A 56 6.274 0.734 -5.482 1.00 0.00 H new ATOM 0 HA ILE A 56 6.056 -1.992 -4.700 1.00 0.00 H new ATOM 0 HB ILE A 56 6.127 -0.645 -7.435 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.796 -1.584 -5.692 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.284 0.088 -5.884 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.030 -2.724 -8.233 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.646 -3.065 -7.569 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.193 -3.432 -6.609 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.409 -0.459 -7.416 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.875 -0.061 -8.343 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.380 -1.759 -8.148 1.00 0.00 H new ATOM 431 N MET A 57 8.120 -3.158 -5.438 1.00 0.00 N ATOM 432 CA MET A 57 9.374 -3.822 -5.744 1.00 0.00 C ATOM 433 C MET A 57 9.048 -5.140 -6.424 1.00 0.00 C ATOM 434 O MET A 57 8.625 -6.104 -5.784 1.00 0.00 O ATOM 435 CB MET A 57 10.218 -4.054 -4.493 1.00 0.00 C ATOM 436 CG MET A 57 9.343 -4.545 -3.344 1.00 0.00 C ATOM 437 SD MET A 57 10.362 -5.520 -2.212 1.00 0.00 S ATOM 438 CE MET A 57 11.702 -4.316 -2.020 1.00 0.00 C ATOM 0 H MET A 57 7.432 -3.747 -4.969 1.00 0.00 H new ATOM 0 HA MET A 57 9.968 -3.187 -6.402 1.00 0.00 H new ATOM 0 HB2 MET A 57 10.998 -4.786 -4.703 1.00 0.00 H new ATOM 0 HB3 MET A 57 10.718 -3.129 -4.208 1.00 0.00 H new ATOM 0 HG2 MET A 57 8.899 -3.699 -2.819 1.00 0.00 H new ATOM 0 HG3 MET A 57 8.521 -5.149 -3.727 1.00 0.00 H new ATOM 0 HE1 MET A 57 12.172 -4.447 -1.045 1.00 0.00 H new ATOM 0 HE2 MET A 57 12.444 -4.469 -2.804 1.00 0.00 H new ATOM 0 HE3 MET A 57 11.298 -3.307 -2.095 1.00 0.00 H new ATOM 448 N VAL A 58 9.201 -5.141 -7.735 1.00 0.00 N ATOM 449 CA VAL A 58 8.876 -6.317 -8.529 1.00 0.00 C ATOM 450 C VAL A 58 9.770 -7.501 -8.182 1.00 0.00 C ATOM 451 O VAL A 58 10.997 -7.411 -8.237 1.00 0.00 O ATOM 452 CB VAL A 58 9.004 -6.001 -10.013 1.00 0.00 C ATOM 453 CG1 VAL A 58 8.464 -7.179 -10.818 1.00 0.00 C ATOM 454 CG2 VAL A 58 8.192 -4.742 -10.340 1.00 0.00 C ATOM 0 H VAL A 58 9.546 -4.346 -8.273 1.00 0.00 H new ATOM 0 HA VAL A 58 7.847 -6.591 -8.297 1.00 0.00 H new ATOM 0 HB VAL A 58 10.050 -5.829 -10.266 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.551 -6.963 -11.883 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.038 -8.075 -10.582 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.416 -7.342 -10.566 1.00 0.00 H new ATOM 0 HG21 VAL A 58 8.284 -4.516 -11.402 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.144 -4.911 -10.094 1.00 0.00 H new ATOM 0 HG23 VAL A 58 8.571 -3.903 -9.756 1.00 0.00 H new ATOM 464 N GLU A 59 9.133 -8.615 -7.830 1.00 0.00 N ATOM 465 CA GLU A 59 9.860 -9.828 -7.480 1.00 0.00 C ATOM 466 C GLU A 59 9.821 -10.813 -8.643 1.00 0.00 C ATOM 467 O GLU A 59 10.856 -11.320 -9.073 1.00 0.00 O ATOM 468 CB GLU A 59 9.231 -10.472 -6.245 1.00 0.00 C ATOM 469 CG GLU A 59 9.440 -9.556 -5.039 1.00 0.00 C ATOM 470 CD GLU A 59 10.932 -9.360 -4.795 1.00 0.00 C ATOM 471 OE1 GLU A 59 11.684 -10.279 -5.076 1.00 0.00 O ATOM 472 OE2 GLU A 59 11.302 -8.292 -4.338 1.00 0.00 O ATOM 0 H GLU A 59 8.118 -8.701 -7.780 1.00 0.00 H new ATOM 0 HA GLU A 59 10.896 -9.568 -7.264 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.167 -10.639 -6.410 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.682 -11.447 -6.059 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.961 -8.593 -5.214 1.00 0.00 H new ATOM 0 HG3 GLU A 59 8.971 -9.989 -4.156 1.00 0.00 H new ATOM 479 N ASN A 60 8.620 -11.088 -9.143 1.00 0.00 N ATOM 480 CA ASN A 60 8.459 -12.024 -10.249 1.00 0.00 C ATOM 481 C ASN A 60 7.271 -11.628 -11.112 1.00 0.00 C ATOM 482 O ASN A 60 6.254 -11.142 -10.614 1.00 0.00 O ATOM 483 CB ASN A 60 8.234 -13.439 -9.714 1.00 0.00 C ATOM 484 CG ASN A 60 9.273 -13.767 -8.651 1.00 0.00 C ATOM 485 OD1 ASN A 60 10.432 -14.031 -8.973 1.00 0.00 O ATOM 486 ND2 ASN A 60 8.927 -13.758 -7.394 1.00 0.00 N ATOM 0 H ASN A 60 7.750 -10.679 -8.802 1.00 0.00 H new ATOM 0 HA ASN A 60 9.368 -11.999 -10.850 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.232 -13.522 -9.292 1.00 0.00 H new ATOM 0 HB3 ASN A 60 8.297 -14.159 -10.530 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.617 -13.970 -6.674 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.966 -13.539 -7.131 1.00 0.00 H new ATOM 493 N ALA A 61 7.413 -11.845 -12.409 1.00 0.00 N ATOM 494 CA ALA A 61 6.359 -11.515 -13.348 1.00 0.00 C ATOM 495 C ALA A 61 6.648 -12.151 -14.695 1.00 0.00 C ATOM 496 O ALA A 61 7.805 -12.358 -15.059 1.00 0.00 O ATOM 497 CB ALA A 61 6.248 -10.000 -13.512 1.00 0.00 C ATOM 0 H ALA A 61 8.248 -12.248 -12.834 1.00 0.00 H new ATOM 0 HA ALA A 61 5.416 -11.900 -12.960 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.452 -9.768 -14.220 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.020 -9.545 -12.548 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.193 -9.604 -13.885 1.00 0.00 H new ATOM 503 N ASN A 62 5.593 -12.459 -15.431 1.00 0.00 N ATOM 504 CA ASN A 62 5.753 -13.072 -16.737 1.00 0.00 C ATOM 505 C ASN A 62 4.632 -12.663 -17.675 1.00 0.00 C ATOM 506 O ASN A 62 3.545 -12.286 -17.236 1.00 0.00 O ATOM 507 CB ASN A 62 5.749 -14.588 -16.608 1.00 0.00 C ATOM 508 CG ASN A 62 6.022 -15.201 -17.974 1.00 0.00 C ATOM 509 OD1 ASN A 62 7.125 -15.074 -18.504 1.00 0.00 O ATOM 510 ND2 ASN A 62 5.069 -15.843 -18.588 1.00 0.00 N ATOM 0 H ASN A 62 4.626 -12.296 -15.149 1.00 0.00 H new ATOM 0 HA ASN A 62 6.704 -12.732 -17.146 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.508 -14.907 -15.893 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.787 -14.931 -16.227 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.236 -16.243 -19.512 1.00 0.00 H new ATOM 0 HD22 ASN A 62 4.156 -15.946 -18.145 1.00 0.00 H new ATOM 517 N TYR A 63 4.894 -12.756 -18.974 1.00 0.00 N ATOM 518 CA TYR A 63 3.893 -12.409 -19.964 1.00 0.00 C ATOM 519 C TYR A 63 3.676 -13.566 -20.935 1.00 0.00 C ATOM 520 O TYR A 63 4.613 -14.034 -21.583 1.00 0.00 O ATOM 521 CB TYR A 63 4.329 -11.164 -20.732 1.00 0.00 C ATOM 522 CG TYR A 63 3.355 -10.921 -21.848 1.00 0.00 C ATOM 523 CD1 TYR A 63 2.085 -10.412 -21.565 1.00 0.00 C ATOM 524 CD2 TYR A 63 3.720 -11.214 -23.165 1.00 0.00 C ATOM 525 CE1 TYR A 63 1.174 -10.197 -22.603 1.00 0.00 C ATOM 526 CE2 TYR A 63 2.810 -10.997 -24.204 1.00 0.00 C ATOM 527 CZ TYR A 63 1.536 -10.489 -23.924 1.00 0.00 C ATOM 528 OH TYR A 63 0.637 -10.279 -24.949 1.00 0.00 O ATOM 0 H TYR A 63 5.786 -13.067 -19.360 1.00 0.00 H new ATOM 0 HA TYR A 63 2.954 -12.204 -19.450 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.363 -10.302 -20.066 1.00 0.00 H new ATOM 0 HB3 TYR A 63 5.334 -11.299 -21.131 1.00 0.00 H new ATOM 0 HD1 TYR A 63 1.808 -10.185 -20.546 1.00 0.00 H new ATOM 0 HD2 TYR A 63 4.703 -11.607 -23.380 1.00 0.00 H new ATOM 0 HE1 TYR A 63 0.191 -9.806 -22.386 1.00 0.00 H new ATOM 0 HE2 TYR A 63 3.090 -11.221 -25.223 1.00 0.00 H new ATOM 0 HH TYR A 63 1.109 -10.302 -25.808 1.00 0.00 H new ATOM 538 N GLY A 64 2.434 -14.035 -21.010 1.00 0.00 N ATOM 539 CA GLY A 64 2.107 -15.157 -21.884 1.00 0.00 C ATOM 540 C GLY A 64 0.806 -15.813 -21.438 1.00 0.00 C ATOM 541 O GLY A 64 -0.179 -15.133 -21.143 1.00 0.00 O ATOM 0 H GLY A 64 1.645 -13.661 -20.483 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.013 -14.810 -22.913 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.915 -15.888 -21.867 1.00 0.00 H new ATOM 545 N ARG A 65 0.821 -17.143 -21.387 1.00 0.00 N ATOM 546 CA ARG A 65 -0.352 -17.906 -20.972 1.00 0.00 C ATOM 547 C ARG A 65 0.029 -19.294 -20.479 1.00 0.00 C ATOM 548 O ARG A 65 0.582 -20.103 -21.227 1.00 0.00 O ATOM 549 CB ARG A 65 -1.360 -18.045 -22.116 1.00 0.00 C ATOM 550 CG ARG A 65 -2.272 -19.245 -21.834 1.00 0.00 C ATOM 551 CD ARG A 65 -3.641 -19.023 -22.469 1.00 0.00 C ATOM 552 NE ARG A 65 -4.403 -18.064 -21.685 1.00 0.00 N ATOM 553 CZ ARG A 65 -5.390 -17.371 -22.233 1.00 0.00 C ATOM 554 NH1 ARG A 65 -5.718 -17.588 -23.475 1.00 0.00 N ATOM 555 NH2 ARG A 65 -6.035 -16.483 -21.528 1.00 0.00 N ATOM 0 H ARG A 65 1.632 -17.713 -21.628 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.810 -17.350 -20.154 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -1.953 -17.135 -22.208 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -0.838 -18.183 -23.063 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.822 -20.155 -22.231 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.380 -19.385 -20.758 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.523 -18.659 -23.490 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.181 -19.968 -22.528 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.175 -17.923 -20.701 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -5.216 -18.289 -24.020 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.477 -17.057 -23.902 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.779 -16.322 -20.554 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.795 -15.950 -21.951 1.00 0.00 H new ATOM 569 N THR A 66 -0.293 -19.567 -19.221 1.00 0.00 N ATOM 570 CA THR A 66 -0.008 -20.868 -18.637 1.00 0.00 C ATOM 571 C THR A 66 -1.291 -21.464 -18.072 1.00 0.00 C ATOM 572 O THR A 66 -1.267 -22.476 -17.372 1.00 0.00 O ATOM 573 CB THR A 66 1.033 -20.735 -17.524 1.00 0.00 C ATOM 574 OG1 THR A 66 0.392 -20.303 -16.332 1.00 0.00 O ATOM 575 CG2 THR A 66 2.089 -19.708 -17.934 1.00 0.00 C ATOM 0 H THR A 66 -0.749 -18.908 -18.590 1.00 0.00 H new ATOM 0 HA THR A 66 0.390 -21.524 -19.411 1.00 0.00 H new ATOM 0 HB THR A 66 1.512 -21.699 -17.354 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.038 -19.436 -16.487 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.831 -19.613 -17.141 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.578 -20.035 -18.851 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.612 -18.743 -18.102 1.00 0.00 H new ATOM 583 N ASP A 67 -2.414 -20.823 -18.386 1.00 0.00 N ATOM 584 CA ASP A 67 -3.710 -21.293 -17.913 1.00 0.00 C ATOM 585 C ASP A 67 -4.800 -20.920 -18.912 1.00 0.00 C ATOM 586 O ASP A 67 -4.637 -19.993 -19.705 1.00 0.00 O ATOM 587 CB ASP A 67 -4.024 -20.676 -16.549 1.00 0.00 C ATOM 588 CG ASP A 67 -5.076 -21.513 -15.829 1.00 0.00 C ATOM 589 OD1 ASP A 67 -6.251 -21.236 -16.007 1.00 0.00 O ATOM 590 OD2 ASP A 67 -4.688 -22.421 -15.108 1.00 0.00 O ATOM 0 H ASP A 67 -2.452 -19.982 -18.962 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.675 -22.378 -17.815 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -3.117 -20.621 -15.948 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.384 -19.655 -16.676 1.00 0.00 H new ATOM 595 N ASP A 68 -5.916 -21.632 -18.854 1.00 0.00 N ATOM 596 CA ASP A 68 -7.035 -21.353 -19.746 1.00 0.00 C ATOM 597 C ASP A 68 -8.249 -20.934 -18.933 1.00 0.00 C ATOM 598 O ASP A 68 -9.344 -20.768 -19.471 1.00 0.00 O ATOM 599 CB ASP A 68 -7.387 -22.594 -20.568 1.00 0.00 C ATOM 600 CG ASP A 68 -7.926 -23.687 -19.652 1.00 0.00 C ATOM 601 OD1 ASP A 68 -7.975 -23.455 -18.455 1.00 0.00 O ATOM 602 OD2 ASP A 68 -8.290 -24.734 -20.162 1.00 0.00 O ATOM 0 H ASP A 68 -6.072 -22.402 -18.204 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.746 -20.548 -20.421 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.131 -22.341 -21.324 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.504 -22.953 -21.097 1.00 0.00 H new ATOM 607 N LYS A 69 -8.047 -20.784 -17.630 1.00 0.00 N ATOM 608 CA LYS A 69 -9.132 -20.405 -16.740 1.00 0.00 C ATOM 609 C LYS A 69 -9.074 -18.915 -16.401 1.00 0.00 C ATOM 610 O LYS A 69 -9.855 -18.430 -15.583 1.00 0.00 O ATOM 611 CB LYS A 69 -9.043 -21.222 -15.448 1.00 0.00 C ATOM 612 CG LYS A 69 -8.983 -22.717 -15.780 1.00 0.00 C ATOM 613 CD LYS A 69 -9.111 -23.528 -14.486 1.00 0.00 C ATOM 614 CE LYS A 69 -8.965 -25.025 -14.790 1.00 0.00 C ATOM 615 NZ LYS A 69 -7.617 -25.492 -14.360 1.00 0.00 N ATOM 0 H LYS A 69 -7.147 -20.919 -17.170 1.00 0.00 H new ATOM 0 HA LYS A 69 -10.075 -20.607 -17.247 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.158 -20.930 -14.883 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.907 -21.015 -14.816 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.785 -22.981 -16.469 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.043 -22.953 -16.279 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.346 -23.216 -13.774 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.077 -23.335 -14.020 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.740 -25.589 -14.271 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.100 -25.205 -15.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -7.519 -26.507 -14.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -6.885 -24.962 -14.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.505 -25.334 -13.338 1.00 0.00 H new ATOM 629 N ILE A 70 -8.144 -18.191 -17.022 1.00 0.00 N ATOM 630 CA ILE A 70 -8.002 -16.763 -16.755 1.00 0.00 C ATOM 631 C ILE A 70 -8.379 -15.945 -17.984 1.00 0.00 C ATOM 632 O ILE A 70 -7.994 -16.280 -19.105 1.00 0.00 O ATOM 633 CB ILE A 70 -6.557 -16.463 -16.367 1.00 0.00 C ATOM 634 CG1 ILE A 70 -6.149 -17.367 -15.201 1.00 0.00 C ATOM 635 CG2 ILE A 70 -6.422 -14.994 -15.961 1.00 0.00 C ATOM 636 CD1 ILE A 70 -7.012 -17.060 -13.974 1.00 0.00 C ATOM 0 H ILE A 70 -7.485 -18.565 -17.705 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.671 -16.491 -15.938 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.904 -16.654 -17.219 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -6.264 -18.413 -15.484 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -5.096 -17.215 -14.963 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -5.388 -14.786 -15.685 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.709 -14.357 -16.798 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.072 -14.790 -15.110 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -6.715 -17.708 -13.149 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -6.875 -16.018 -13.685 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -8.061 -17.235 -14.214 1.00 0.00 H new ATOM 648 N CYS A 71 -9.146 -14.882 -17.772 1.00 0.00 N ATOM 649 CA CYS A 71 -9.580 -14.040 -18.882 1.00 0.00 C ATOM 650 C CYS A 71 -10.331 -14.888 -19.897 1.00 0.00 C ATOM 651 O CYS A 71 -9.867 -15.094 -21.017 1.00 0.00 O ATOM 652 CB CYS A 71 -8.374 -13.386 -19.556 1.00 0.00 C ATOM 653 SG CYS A 71 -7.448 -12.416 -18.343 1.00 0.00 S ATOM 0 H CYS A 71 -9.477 -14.585 -16.854 1.00 0.00 H new ATOM 0 HA CYS A 71 -10.235 -13.258 -18.498 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -7.731 -14.150 -19.992 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -8.705 -12.744 -20.372 1.00 0.00 H new ATOM 658 N ASP A 72 -11.484 -15.396 -19.487 1.00 0.00 N ATOM 659 CA ASP A 72 -12.286 -16.249 -20.353 1.00 0.00 C ATOM 660 C ASP A 72 -12.413 -15.674 -21.765 1.00 0.00 C ATOM 661 O ASP A 72 -13.309 -14.876 -22.045 1.00 0.00 O ATOM 662 CB ASP A 72 -13.677 -16.444 -19.749 1.00 0.00 C ATOM 663 CG ASP A 72 -14.379 -15.098 -19.606 1.00 0.00 C ATOM 664 OD1 ASP A 72 -13.805 -14.106 -20.025 1.00 0.00 O ATOM 665 OD2 ASP A 72 -15.477 -15.077 -19.075 1.00 0.00 O ATOM 0 H ASP A 72 -11.885 -15.233 -18.563 1.00 0.00 H new ATOM 0 HA ASP A 72 -11.777 -17.210 -20.430 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -14.268 -17.106 -20.383 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -13.595 -16.925 -18.775 1.00 0.00 H new ATOM 670 N ALA A 73 -11.525 -16.114 -22.657 1.00 0.00 N ATOM 671 CA ALA A 73 -11.548 -15.673 -24.054 1.00 0.00 C ATOM 672 C ALA A 73 -11.926 -16.850 -24.948 1.00 0.00 C ATOM 673 O ALA A 73 -12.464 -17.845 -24.465 1.00 0.00 O ATOM 674 CB ALA A 73 -10.180 -15.131 -24.468 1.00 0.00 C ATOM 0 H ALA A 73 -10.780 -16.776 -22.438 1.00 0.00 H new ATOM 0 HA ALA A 73 -12.284 -14.876 -24.161 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -10.216 -14.808 -25.508 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.917 -14.284 -23.834 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -9.430 -15.914 -24.357 1.00 0.00 H new ATOM 680 N ASP A 74 -11.659 -16.744 -26.249 1.00 0.00 N ATOM 681 CA ASP A 74 -12.000 -17.826 -27.167 1.00 0.00 C ATOM 682 C ASP A 74 -11.236 -19.109 -26.830 1.00 0.00 C ATOM 683 O ASP A 74 -10.060 -19.078 -26.444 1.00 0.00 O ATOM 684 CB ASP A 74 -11.686 -17.424 -28.608 1.00 0.00 C ATOM 685 CG ASP A 74 -10.447 -16.540 -28.648 1.00 0.00 C ATOM 686 OD1 ASP A 74 -9.969 -16.174 -27.590 1.00 0.00 O ATOM 687 OD2 ASP A 74 -9.997 -16.239 -29.741 1.00 0.00 O ATOM 0 H ASP A 74 -11.216 -15.935 -26.684 1.00 0.00 H new ATOM 0 HA ASP A 74 -13.068 -18.015 -27.061 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.526 -18.315 -29.215 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -12.535 -16.893 -29.039 1.00 0.00 H new ATOM 692 N PRO A 75 -11.879 -20.232 -26.975 1.00 0.00 N ATOM 693 CA PRO A 75 -11.260 -21.551 -26.669 1.00 0.00 C ATOM 694 C PRO A 75 -9.981 -21.802 -27.463 1.00 0.00 C ATOM 695 O PRO A 75 -9.010 -22.344 -26.933 1.00 0.00 O ATOM 696 CB PRO A 75 -12.343 -22.571 -27.043 1.00 0.00 C ATOM 697 CG PRO A 75 -13.317 -21.834 -27.898 1.00 0.00 C ATOM 698 CD PRO A 75 -13.256 -20.377 -27.461 1.00 0.00 C ATOM 0 HA PRO A 75 -10.954 -21.612 -25.625 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -11.914 -23.418 -27.579 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -12.828 -22.970 -26.152 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -13.061 -21.934 -28.953 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -14.323 -22.235 -27.775 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -13.465 -19.699 -28.289 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -13.984 -20.160 -26.680 1.00 0.00 H new ATOM 706 N PHE A 76 -9.981 -21.401 -28.729 1.00 0.00 N ATOM 707 CA PHE A 76 -8.814 -21.605 -29.582 1.00 0.00 C ATOM 708 C PHE A 76 -7.613 -20.806 -29.086 1.00 0.00 C ATOM 709 O PHE A 76 -6.476 -21.268 -29.184 1.00 0.00 O ATOM 710 CB PHE A 76 -9.147 -21.218 -31.023 1.00 0.00 C ATOM 711 CG PHE A 76 -10.189 -22.172 -31.554 1.00 0.00 C ATOM 712 CD1 PHE A 76 -9.817 -23.460 -31.958 1.00 0.00 C ATOM 713 CD2 PHE A 76 -11.530 -21.774 -31.631 1.00 0.00 C ATOM 714 CE1 PHE A 76 -10.784 -24.349 -32.440 1.00 0.00 C ATOM 715 CE2 PHE A 76 -12.498 -22.665 -32.113 1.00 0.00 C ATOM 716 CZ PHE A 76 -12.124 -23.952 -32.517 1.00 0.00 C ATOM 0 H PHE A 76 -10.767 -20.937 -29.185 1.00 0.00 H new ATOM 0 HA PHE A 76 -8.549 -22.662 -29.544 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.518 -20.194 -31.063 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -8.250 -21.256 -31.641 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -8.783 -23.767 -31.898 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.818 -20.781 -31.319 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -10.496 -25.342 -32.753 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -13.532 -22.359 -32.173 1.00 0.00 H new ATOM 0 HZ PHE A 76 -12.870 -24.639 -32.888 1.00 0.00 H new ATOM 726 N GLN A 77 -7.861 -19.616 -28.544 1.00 0.00 N ATOM 727 CA GLN A 77 -6.769 -18.797 -28.036 1.00 0.00 C ATOM 728 C GLN A 77 -6.452 -19.192 -26.600 1.00 0.00 C ATOM 729 O GLN A 77 -5.481 -18.717 -26.011 1.00 0.00 O ATOM 730 CB GLN A 77 -7.140 -17.315 -28.099 1.00 0.00 C ATOM 731 CG GLN A 77 -7.347 -16.905 -29.559 1.00 0.00 C ATOM 732 CD GLN A 77 -7.696 -15.423 -29.653 1.00 0.00 C ATOM 733 OE1 GLN A 77 -7.850 -14.728 -28.561 1.00 0.00 O flip ATOM 734 NE2 GLN A 77 -7.837 -14.888 -30.752 1.00 0.00 N flip ATOM 0 H GLN A 77 -8.790 -19.205 -28.447 1.00 0.00 H new ATOM 0 HA GLN A 77 -5.889 -18.963 -28.657 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -8.049 -17.131 -27.526 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -6.352 -16.712 -27.649 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -6.442 -17.109 -30.132 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -8.145 -17.501 -30.001 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -7.716 -15.435 -31.605 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -8.075 -13.898 -30.810 1.00 0.00 H new ATOM 743 N MET A 78 -7.289 -20.062 -26.044 1.00 0.00 N ATOM 744 CA MET A 78 -7.096 -20.520 -24.676 1.00 0.00 C ATOM 745 C MET A 78 -6.606 -21.974 -24.635 1.00 0.00 C ATOM 746 O MET A 78 -6.356 -22.515 -23.556 1.00 0.00 O ATOM 747 CB MET A 78 -8.400 -20.373 -23.891 1.00 0.00 C ATOM 748 CG MET A 78 -8.565 -18.911 -23.457 1.00 0.00 C ATOM 749 SD MET A 78 -7.818 -18.669 -21.825 1.00 0.00 S ATOM 750 CE MET A 78 -9.356 -18.411 -20.899 1.00 0.00 C ATOM 0 H MET A 78 -8.101 -20.460 -26.516 1.00 0.00 H new ATOM 0 HA MET A 78 -6.327 -19.901 -24.214 1.00 0.00 H new ATOM 0 HB2 MET A 78 -9.246 -20.680 -24.507 1.00 0.00 H new ATOM 0 HB3 MET A 78 -8.388 -21.025 -23.018 1.00 0.00 H new ATOM 0 HG2 MET A 78 -8.094 -18.250 -24.185 1.00 0.00 H new ATOM 0 HG3 MET A 78 -9.622 -18.648 -23.426 1.00 0.00 H new ATOM 0 HE1 MET A 78 -9.162 -18.523 -19.832 1.00 0.00 H new ATOM 0 HE2 MET A 78 -9.735 -17.408 -21.096 1.00 0.00 H new ATOM 0 HE3 MET A 78 -10.097 -19.147 -21.212 1.00 0.00 H new ATOM 760 N GLU A 79 -6.480 -22.612 -25.805 1.00 0.00 N ATOM 761 CA GLU A 79 -6.027 -24.008 -25.856 1.00 0.00 C ATOM 762 C GLU A 79 -4.608 -24.181 -25.319 1.00 0.00 C ATOM 763 O GLU A 79 -4.365 -25.068 -24.500 1.00 0.00 O ATOM 764 CB GLU A 79 -6.068 -24.544 -27.294 1.00 0.00 C ATOM 765 CG GLU A 79 -7.485 -24.988 -27.655 1.00 0.00 C ATOM 766 CD GLU A 79 -7.934 -26.103 -26.717 1.00 0.00 C ATOM 767 OE1 GLU A 79 -7.076 -26.707 -26.094 1.00 0.00 O ATOM 768 OE2 GLU A 79 -9.127 -26.338 -26.635 1.00 0.00 O ATOM 0 H GLU A 79 -6.681 -22.194 -26.713 1.00 0.00 H new ATOM 0 HA GLU A 79 -6.712 -24.571 -25.222 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.734 -23.772 -27.987 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.380 -25.383 -27.396 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -8.170 -24.143 -27.583 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -7.515 -25.336 -28.688 1.00 0.00 H new ATOM 775 N ASN A 80 -3.662 -23.375 -25.785 1.00 0.00 N ATOM 776 CA ASN A 80 -2.282 -23.518 -25.329 1.00 0.00 C ATOM 777 C ASN A 80 -2.081 -22.905 -23.946 1.00 0.00 C ATOM 778 O ASN A 80 -2.164 -21.691 -23.774 1.00 0.00 O ATOM 779 CB ASN A 80 -1.340 -22.847 -26.332 1.00 0.00 C ATOM 780 CG ASN A 80 0.113 -23.104 -25.945 1.00 0.00 C ATOM 781 OD1 ASN A 80 0.553 -24.254 -25.905 1.00 0.00 O ATOM 782 ND2 ASN A 80 0.891 -22.096 -25.659 1.00 0.00 N ATOM 0 H ASN A 80 -3.818 -22.630 -26.464 1.00 0.00 H new ATOM 0 HA ASN A 80 -2.057 -24.582 -25.260 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -1.530 -23.232 -27.334 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -1.532 -21.774 -26.361 1.00 0.00 H new ATOM 0 HD21 ASN A 80 1.864 -22.260 -25.402 1.00 0.00 H new ATOM 0 HD22 ASN A 80 0.526 -21.144 -25.692 1.00 0.00 H new ATOM 789 N VAL A 81 -1.805 -23.764 -22.969 1.00 0.00 N ATOM 790 CA VAL A 81 -1.580 -23.311 -21.599 1.00 0.00 C ATOM 791 C VAL A 81 -0.096 -23.354 -21.264 1.00 0.00 C ATOM 792 O VAL A 81 0.284 -23.574 -20.114 1.00 0.00 O ATOM 793 CB VAL A 81 -2.333 -24.200 -20.612 1.00 0.00 C ATOM 794 CG1 VAL A 81 -3.832 -24.156 -20.914 1.00 0.00 C ATOM 795 CG2 VAL A 81 -1.830 -25.640 -20.741 1.00 0.00 C ATOM 0 H VAL A 81 -1.732 -24.773 -23.099 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.945 -22.287 -21.519 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.160 -23.840 -19.598 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.364 -24.792 -20.207 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.192 -23.131 -20.822 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.009 -24.513 -21.928 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.366 -26.277 -20.037 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.002 -25.996 -21.757 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.763 -25.674 -20.521 1.00 0.00 H new ATOM 805 N GLN A 82 0.738 -23.147 -22.276 1.00 0.00 N ATOM 806 CA GLN A 82 2.180 -23.165 -22.080 1.00 0.00 C ATOM 807 C GLN A 82 2.843 -22.093 -22.943 1.00 0.00 C ATOM 808 O GLN A 82 3.222 -22.335 -24.090 1.00 0.00 O ATOM 809 CB GLN A 82 2.740 -24.549 -22.414 1.00 0.00 C ATOM 810 CG GLN A 82 2.152 -25.577 -21.441 1.00 0.00 C ATOM 811 CD GLN A 82 2.677 -25.331 -20.030 1.00 0.00 C ATOM 812 OE1 GLN A 82 3.856 -25.028 -19.849 1.00 0.00 O ATOM 813 NE2 GLN A 82 1.870 -25.449 -19.009 1.00 0.00 N ATOM 0 H GLN A 82 0.442 -22.966 -23.235 1.00 0.00 H new ATOM 0 HA GLN A 82 2.397 -22.948 -21.034 1.00 0.00 H new ATOM 0 HB2 GLN A 82 2.491 -24.818 -23.441 1.00 0.00 H new ATOM 0 HB3 GLN A 82 3.828 -24.542 -22.341 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.064 -25.513 -21.448 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.414 -26.585 -21.763 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.893 -25.700 -19.158 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.217 -25.290 -18.063 1.00 0.00 H new ATOM 822 N CYS A 83 2.968 -20.906 -22.367 1.00 0.00 N ATOM 823 CA CYS A 83 3.577 -19.767 -23.049 1.00 0.00 C ATOM 824 C CYS A 83 4.324 -18.918 -22.019 1.00 0.00 C ATOM 825 O CYS A 83 3.712 -18.431 -21.068 1.00 0.00 O ATOM 826 CB CYS A 83 2.474 -18.939 -23.719 1.00 0.00 C ATOM 827 SG CYS A 83 3.155 -17.379 -24.336 1.00 0.00 S ATOM 0 H CYS A 83 2.653 -20.703 -21.418 1.00 0.00 H new ATOM 0 HA CYS A 83 4.278 -20.108 -23.810 1.00 0.00 H new ATOM 0 HB2 CYS A 83 2.034 -19.503 -24.541 1.00 0.00 H new ATOM 0 HB3 CYS A 83 1.675 -18.739 -23.006 1.00 0.00 H new ATOM 832 N TYR A 84 5.639 -18.743 -22.184 1.00 0.00 N ATOM 833 CA TYR A 84 6.405 -17.953 -21.218 1.00 0.00 C ATOM 834 C TYR A 84 7.310 -16.931 -21.904 1.00 0.00 C ATOM 835 O TYR A 84 7.768 -17.142 -23.027 1.00 0.00 O ATOM 836 CB TYR A 84 7.271 -18.873 -20.353 1.00 0.00 C ATOM 837 CG TYR A 84 6.392 -19.799 -19.548 1.00 0.00 C ATOM 838 CD1 TYR A 84 5.960 -21.009 -20.103 1.00 0.00 C ATOM 839 CD2 TYR A 84 6.009 -19.446 -18.249 1.00 0.00 C ATOM 840 CE1 TYR A 84 5.145 -21.869 -19.358 1.00 0.00 C ATOM 841 CE2 TYR A 84 5.194 -20.306 -17.502 1.00 0.00 C ATOM 842 CZ TYR A 84 4.761 -21.517 -18.057 1.00 0.00 C ATOM 843 OH TYR A 84 3.957 -22.365 -17.321 1.00 0.00 O ATOM 0 H TYR A 84 6.183 -19.127 -22.957 1.00 0.00 H new ATOM 0 HA TYR A 84 5.684 -17.418 -20.600 1.00 0.00 H new ATOM 0 HB2 TYR A 84 7.943 -19.454 -20.985 1.00 0.00 H new ATOM 0 HB3 TYR A 84 7.895 -18.278 -19.686 1.00 0.00 H new ATOM 0 HD1 TYR A 84 6.256 -21.279 -21.106 1.00 0.00 H new ATOM 0 HD2 TYR A 84 6.342 -18.511 -17.823 1.00 0.00 H new ATOM 0 HE1 TYR A 84 4.812 -22.803 -19.785 1.00 0.00 H new ATOM 0 HE2 TYR A 84 4.900 -20.036 -16.499 1.00 0.00 H new ATOM 0 HH TYR A 84 3.786 -21.971 -16.440 1.00 0.00 H new ATOM 853 N LEU A 85 7.575 -15.828 -21.199 1.00 0.00 N ATOM 854 CA LEU A 85 8.441 -14.771 -21.720 1.00 0.00 C ATOM 855 C LEU A 85 9.215 -14.115 -20.577 1.00 0.00 C ATOM 856 O LEU A 85 8.762 -13.136 -19.986 1.00 0.00 O ATOM 857 CB LEU A 85 7.601 -13.723 -22.442 1.00 0.00 C ATOM 858 CG LEU A 85 8.518 -12.664 -23.061 1.00 0.00 C ATOM 859 CD1 LEU A 85 9.149 -13.220 -24.341 1.00 0.00 C ATOM 860 CD2 LEU A 85 7.708 -11.407 -23.401 1.00 0.00 C ATOM 0 H LEU A 85 7.202 -15.645 -20.267 1.00 0.00 H new ATOM 0 HA LEU A 85 9.150 -15.209 -22.422 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.000 -14.196 -23.218 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.908 -13.254 -21.744 1.00 0.00 H new ATOM 0 HG LEU A 85 9.300 -12.407 -22.346 1.00 0.00 H new ATOM 0 HD11 LEU A 85 9.802 -12.467 -24.782 1.00 0.00 H new ATOM 0 HD12 LEU A 85 9.731 -14.110 -24.103 1.00 0.00 H new ATOM 0 HD13 LEU A 85 8.364 -13.480 -25.051 1.00 0.00 H new ATOM 0 HD21 LEU A 85 8.366 -10.658 -23.841 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.922 -11.662 -24.112 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.259 -11.007 -22.492 1.00 0.00 H new ATOM 872 N PRO A 86 10.359 -14.652 -20.253 1.00 0.00 N ATOM 873 CA PRO A 86 11.223 -14.137 -19.143 1.00 0.00 C ATOM 874 C PRO A 86 11.448 -12.621 -19.185 1.00 0.00 C ATOM 875 O PRO A 86 11.328 -11.947 -18.161 1.00 0.00 O ATOM 876 CB PRO A 86 12.544 -14.879 -19.348 1.00 0.00 C ATOM 877 CG PRO A 86 12.182 -16.142 -20.054 1.00 0.00 C ATOM 878 CD PRO A 86 10.960 -15.823 -20.913 1.00 0.00 C ATOM 0 HA PRO A 86 10.757 -14.309 -18.173 1.00 0.00 H new ATOM 0 HB2 PRO A 86 13.241 -14.285 -19.938 1.00 0.00 H new ATOM 0 HB3 PRO A 86 13.030 -15.087 -18.395 1.00 0.00 H new ATOM 0 HG2 PRO A 86 13.009 -16.492 -20.671 1.00 0.00 H new ATOM 0 HG3 PRO A 86 11.958 -16.935 -19.340 1.00 0.00 H new ATOM 0 HD2 PRO A 86 11.242 -15.601 -21.942 1.00 0.00 H new ATOM 0 HD3 PRO A 86 10.266 -16.662 -20.947 1.00 0.00 H new ATOM 886 N ASP A 87 11.811 -12.090 -20.350 1.00 0.00 N ATOM 887 CA ASP A 87 12.088 -10.657 -20.473 1.00 0.00 C ATOM 888 C ASP A 87 10.942 -9.813 -19.912 1.00 0.00 C ATOM 889 O ASP A 87 11.163 -8.699 -19.435 1.00 0.00 O ATOM 890 CB ASP A 87 12.314 -10.292 -21.941 1.00 0.00 C ATOM 891 CG ASP A 87 13.609 -10.922 -22.446 1.00 0.00 C ATOM 892 OD1 ASP A 87 14.309 -11.514 -21.642 1.00 0.00 O ATOM 893 OD2 ASP A 87 13.881 -10.801 -23.628 1.00 0.00 O ATOM 0 H ASP A 87 11.920 -12.621 -21.214 1.00 0.00 H new ATOM 0 HA ASP A 87 12.987 -10.443 -19.894 1.00 0.00 H new ATOM 0 HB2 ASP A 87 11.474 -10.638 -22.543 1.00 0.00 H new ATOM 0 HB3 ASP A 87 12.361 -9.209 -22.051 1.00 0.00 H new ATOM 898 N ALA A 88 9.723 -10.335 -19.975 1.00 0.00 N ATOM 899 CA ALA A 88 8.567 -9.599 -19.464 1.00 0.00 C ATOM 900 C ALA A 88 8.828 -9.139 -18.033 1.00 0.00 C ATOM 901 O ALA A 88 8.344 -8.087 -17.606 1.00 0.00 O ATOM 902 CB ALA A 88 7.324 -10.490 -19.497 1.00 0.00 C ATOM 0 H ALA A 88 9.508 -11.251 -20.368 1.00 0.00 H new ATOM 0 HA ALA A 88 8.401 -8.726 -20.095 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.468 -9.934 -19.115 1.00 0.00 H new ATOM 0 HB2 ALA A 88 7.126 -10.801 -20.523 1.00 0.00 H new ATOM 0 HB3 ALA A 88 7.491 -11.371 -18.877 1.00 0.00 H new ATOM 908 N PHE A 89 9.612 -9.930 -17.310 1.00 0.00 N ATOM 909 CA PHE A 89 9.977 -9.628 -15.935 1.00 0.00 C ATOM 910 C PHE A 89 10.775 -8.327 -15.840 1.00 0.00 C ATOM 911 O PHE A 89 10.558 -7.512 -14.942 1.00 0.00 O ATOM 912 CB PHE A 89 10.836 -10.778 -15.413 1.00 0.00 C ATOM 913 CG PHE A 89 11.264 -10.509 -13.998 1.00 0.00 C ATOM 914 CD1 PHE A 89 10.309 -10.338 -12.995 1.00 0.00 C ATOM 915 CD2 PHE A 89 12.627 -10.438 -13.692 1.00 0.00 C ATOM 916 CE1 PHE A 89 10.716 -10.092 -11.680 1.00 0.00 C ATOM 917 CE2 PHE A 89 13.035 -10.197 -12.378 1.00 0.00 C ATOM 918 CZ PHE A 89 12.079 -10.023 -11.371 1.00 0.00 C ATOM 0 H PHE A 89 10.012 -10.799 -17.663 1.00 0.00 H new ATOM 0 HA PHE A 89 9.069 -9.508 -15.345 1.00 0.00 H new ATOM 0 HB2 PHE A 89 10.274 -11.711 -15.459 1.00 0.00 H new ATOM 0 HB3 PHE A 89 11.713 -10.903 -16.048 1.00 0.00 H new ATOM 0 HD1 PHE A 89 9.257 -10.396 -13.234 1.00 0.00 H new ATOM 0 HD2 PHE A 89 13.363 -10.569 -14.471 1.00 0.00 H new ATOM 0 HE1 PHE A 89 9.978 -9.955 -10.903 1.00 0.00 H new ATOM 0 HE2 PHE A 89 14.087 -10.145 -12.139 1.00 0.00 H new ATOM 0 HZ PHE A 89 12.393 -9.835 -10.355 1.00 0.00 H new ATOM 928 N LYS A 90 11.718 -8.165 -16.763 1.00 0.00 N ATOM 929 CA LYS A 90 12.581 -6.987 -16.767 1.00 0.00 C ATOM 930 C LYS A 90 11.774 -5.722 -17.062 1.00 0.00 C ATOM 931 O LYS A 90 12.025 -4.670 -16.475 1.00 0.00 O ATOM 932 CB LYS A 90 13.699 -7.152 -17.804 1.00 0.00 C ATOM 933 CG LYS A 90 13.297 -6.515 -19.138 1.00 0.00 C ATOM 934 CD LYS A 90 14.353 -6.853 -20.197 1.00 0.00 C ATOM 935 CE LYS A 90 14.509 -5.671 -21.157 1.00 0.00 C ATOM 936 NZ LYS A 90 14.953 -6.166 -22.490 1.00 0.00 N ATOM 0 H LYS A 90 11.904 -8.830 -17.514 1.00 0.00 H new ATOM 0 HA LYS A 90 13.026 -6.888 -15.777 1.00 0.00 H new ATOM 0 HB2 LYS A 90 14.615 -6.690 -17.436 1.00 0.00 H new ATOM 0 HB3 LYS A 90 13.913 -8.211 -17.950 1.00 0.00 H new ATOM 0 HG2 LYS A 90 12.320 -6.884 -19.451 1.00 0.00 H new ATOM 0 HG3 LYS A 90 13.209 -5.434 -19.027 1.00 0.00 H new ATOM 0 HD2 LYS A 90 15.307 -7.074 -19.718 1.00 0.00 H new ATOM 0 HD3 LYS A 90 14.058 -7.746 -20.748 1.00 0.00 H new ATOM 0 HE2 LYS A 90 13.562 -5.139 -21.252 1.00 0.00 H new ATOM 0 HE3 LYS A 90 15.235 -4.961 -20.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 15.059 -5.362 -23.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 15.866 -6.655 -22.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 14.245 -6.827 -22.868 1.00 0.00 H new ATOM 950 N ILE A 91 10.812 -5.835 -17.975 1.00 0.00 N ATOM 951 CA ILE A 91 9.976 -4.686 -18.342 1.00 0.00 C ATOM 952 C ILE A 91 9.208 -4.151 -17.138 1.00 0.00 C ATOM 953 O ILE A 91 9.230 -2.953 -16.855 1.00 0.00 O ATOM 954 CB ILE A 91 8.958 -5.087 -19.423 1.00 0.00 C ATOM 955 CG1 ILE A 91 9.685 -5.553 -20.687 1.00 0.00 C ATOM 956 CG2 ILE A 91 8.054 -3.898 -19.775 1.00 0.00 C ATOM 957 CD1 ILE A 91 8.676 -5.717 -21.836 1.00 0.00 C ATOM 0 H ILE A 91 10.591 -6.698 -18.471 1.00 0.00 H new ATOM 0 HA ILE A 91 10.643 -3.911 -18.719 1.00 0.00 H new ATOM 0 HB ILE A 91 8.348 -5.901 -19.031 1.00 0.00 H new ATOM 0 HG12 ILE A 91 10.452 -4.830 -20.964 1.00 0.00 H new ATOM 0 HG13 ILE A 91 10.192 -6.499 -20.498 1.00 0.00 H new ATOM 0 HG21 ILE A 91 7.339 -4.199 -20.541 1.00 0.00 H new ATOM 0 HG22 ILE A 91 7.516 -3.574 -18.884 1.00 0.00 H new ATOM 0 HG23 ILE A 91 8.664 -3.076 -20.150 1.00 0.00 H new ATOM 0 HD11 ILE A 91 9.198 -6.049 -22.734 1.00 0.00 H new ATOM 0 HD12 ILE A 91 7.925 -6.457 -21.558 1.00 0.00 H new ATOM 0 HD13 ILE A 91 8.189 -4.762 -22.032 1.00 0.00 H new ATOM 969 N MET A 92 8.501 -5.043 -16.459 1.00 0.00 N ATOM 970 CA MET A 92 7.691 -4.655 -15.317 1.00 0.00 C ATOM 971 C MET A 92 8.555 -4.182 -14.160 1.00 0.00 C ATOM 972 O MET A 92 8.191 -3.253 -13.442 1.00 0.00 O ATOM 973 CB MET A 92 6.852 -5.854 -14.875 1.00 0.00 C ATOM 974 CG MET A 92 5.866 -6.227 -15.985 1.00 0.00 C ATOM 975 SD MET A 92 4.874 -4.782 -16.450 1.00 0.00 S ATOM 976 CE MET A 92 4.089 -4.502 -14.846 1.00 0.00 C ATOM 0 H MET A 92 8.473 -6.038 -16.680 1.00 0.00 H new ATOM 0 HA MET A 92 7.046 -3.828 -15.613 1.00 0.00 H new ATOM 0 HB2 MET A 92 7.500 -6.701 -14.650 1.00 0.00 H new ATOM 0 HB3 MET A 92 6.311 -5.615 -13.959 1.00 0.00 H new ATOM 0 HG2 MET A 92 6.409 -6.600 -16.854 1.00 0.00 H new ATOM 0 HG3 MET A 92 5.214 -7.032 -15.647 1.00 0.00 H new ATOM 0 HE1 MET A 92 3.005 -4.526 -14.962 1.00 0.00 H new ATOM 0 HE2 MET A 92 4.397 -5.282 -14.149 1.00 0.00 H new ATOM 0 HE3 MET A 92 4.391 -3.529 -14.458 1.00 0.00 H new ATOM 986 N SER A 93 9.688 -4.832 -13.979 1.00 0.00 N ATOM 987 CA SER A 93 10.587 -4.477 -12.895 1.00 0.00 C ATOM 988 C SER A 93 11.105 -3.045 -13.022 1.00 0.00 C ATOM 989 O SER A 93 11.087 -2.281 -12.061 1.00 0.00 O ATOM 990 CB SER A 93 11.764 -5.447 -12.889 1.00 0.00 C ATOM 991 OG SER A 93 11.301 -6.753 -12.572 1.00 0.00 O ATOM 0 H SER A 93 10.008 -5.604 -14.564 1.00 0.00 H new ATOM 0 HA SER A 93 10.030 -4.541 -11.960 1.00 0.00 H new ATOM 0 HB2 SER A 93 12.252 -5.449 -13.864 1.00 0.00 H new ATOM 0 HB3 SER A 93 12.509 -5.127 -12.160 1.00 0.00 H new ATOM 0 HG SER A 93 10.661 -7.048 -13.253 1.00 0.00 H new ATOM 997 N GLN A 94 11.555 -2.690 -14.213 1.00 0.00 N ATOM 998 CA GLN A 94 12.073 -1.348 -14.459 1.00 0.00 C ATOM 999 C GLN A 94 10.967 -0.290 -14.430 1.00 0.00 C ATOM 1000 O GLN A 94 11.194 0.850 -14.022 1.00 0.00 O ATOM 1001 CB GLN A 94 12.820 -1.321 -15.792 1.00 0.00 C ATOM 1002 CG GLN A 94 14.184 -2.009 -15.623 1.00 0.00 C ATOM 1003 CD GLN A 94 14.189 -3.348 -16.343 1.00 0.00 C ATOM 1004 OE1 GLN A 94 13.751 -3.420 -17.564 1.00 0.00 O flip ATOM 1005 NE2 GLN A 94 14.605 -4.358 -15.776 1.00 0.00 N flip ATOM 0 H GLN A 94 11.574 -3.307 -15.025 1.00 0.00 H new ATOM 0 HA GLN A 94 12.765 -1.100 -13.654 1.00 0.00 H new ATOM 0 HB2 GLN A 94 12.236 -1.829 -16.560 1.00 0.00 H new ATOM 0 HB3 GLN A 94 12.957 -0.292 -16.124 1.00 0.00 H new ATOM 0 HG2 GLN A 94 14.973 -1.371 -16.021 1.00 0.00 H new ATOM 0 HG3 GLN A 94 14.397 -2.156 -14.564 1.00 0.00 H new ATOM 0 HE21 GLN A 94 14.949 -4.300 -14.817 1.00 0.00 H new ATOM 0 HE22 GLN A 94 14.606 -5.253 -16.265 1.00 0.00 H new ATOM 1014 N ARG A 95 9.786 -0.670 -14.892 1.00 0.00 N ATOM 1015 CA ARG A 95 8.653 0.251 -14.950 1.00 0.00 C ATOM 1016 C ARG A 95 8.008 0.520 -13.582 1.00 0.00 C ATOM 1017 O ARG A 95 7.467 1.604 -13.363 1.00 0.00 O ATOM 1018 CB ARG A 95 7.607 -0.305 -15.916 1.00 0.00 C ATOM 1019 CG ARG A 95 8.155 -0.215 -17.342 1.00 0.00 C ATOM 1020 CD ARG A 95 7.157 -0.822 -18.328 1.00 0.00 C ATOM 1021 NE ARG A 95 7.828 -1.119 -19.590 1.00 0.00 N ATOM 1022 CZ ARG A 95 7.169 -1.103 -20.743 1.00 0.00 C ATOM 1023 NH1 ARG A 95 5.897 -0.820 -20.762 1.00 0.00 N ATOM 1024 NH2 ARG A 95 7.796 -1.364 -21.859 1.00 0.00 N ATOM 0 H ARG A 95 9.583 -1.610 -15.233 1.00 0.00 H new ATOM 0 HA ARG A 95 9.038 1.209 -15.299 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.375 -1.340 -15.666 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.678 0.259 -15.832 1.00 0.00 H new ATOM 0 HG2 ARG A 95 8.346 0.826 -17.601 1.00 0.00 H new ATOM 0 HG3 ARG A 95 9.108 -0.740 -17.407 1.00 0.00 H new ATOM 0 HD2 ARG A 95 6.727 -1.733 -17.911 1.00 0.00 H new ATOM 0 HD3 ARG A 95 6.333 -0.130 -18.498 1.00 0.00 H new ATOM 0 HE ARG A 95 8.823 -1.343 -19.586 1.00 0.00 H new ATOM 0 HH11 ARG A 95 5.408 -0.611 -19.892 1.00 0.00 H new ATOM 0 HH12 ARG A 95 5.390 -0.808 -21.647 1.00 0.00 H new ATOM 0 HH21 ARG A 95 8.793 -1.580 -21.845 1.00 0.00 H new ATOM 0 HH22 ARG A 95 7.289 -1.351 -22.744 1.00 0.00 H new ATOM 1038 N CYS A 96 8.012 -0.466 -12.684 1.00 0.00 N ATOM 1039 CA CYS A 96 7.357 -0.278 -11.383 1.00 0.00 C ATOM 1040 C CYS A 96 8.323 -0.241 -10.192 1.00 0.00 C ATOM 1041 O CYS A 96 7.939 0.192 -9.106 1.00 0.00 O ATOM 1042 CB CYS A 96 6.337 -1.398 -11.164 1.00 0.00 C ATOM 1043 SG CYS A 96 5.289 -1.557 -12.631 1.00 0.00 S ATOM 0 H CYS A 96 8.447 -1.378 -12.823 1.00 0.00 H new ATOM 0 HA CYS A 96 6.878 0.700 -11.422 1.00 0.00 H new ATOM 0 HB2 CYS A 96 6.851 -2.339 -10.968 1.00 0.00 H new ATOM 0 HB3 CYS A 96 5.725 -1.181 -10.289 1.00 0.00 H new ATOM 1048 N ASN A 97 9.551 -0.707 -10.362 1.00 0.00 N ATOM 1049 CA ASN A 97 10.495 -0.718 -9.245 1.00 0.00 C ATOM 1050 C ASN A 97 10.720 0.682 -8.669 1.00 0.00 C ATOM 1051 O ASN A 97 10.945 1.643 -9.403 1.00 0.00 O ATOM 1052 CB ASN A 97 11.836 -1.303 -9.691 1.00 0.00 C ATOM 1053 CG ASN A 97 11.744 -2.822 -9.779 1.00 0.00 C ATOM 1054 OD1 ASN A 97 10.825 -3.422 -9.222 1.00 0.00 O ATOM 1055 ND2 ASN A 97 12.646 -3.484 -10.450 1.00 0.00 N ATOM 0 H ASN A 97 9.916 -1.076 -11.240 1.00 0.00 H new ATOM 0 HA ASN A 97 10.059 -1.340 -8.463 1.00 0.00 H new ATOM 0 HB2 ASN A 97 12.116 -0.891 -10.661 1.00 0.00 H new ATOM 0 HB3 ASN A 97 12.618 -1.019 -8.986 1.00 0.00 H new ATOM 0 HD21 ASN A 97 12.590 -4.500 -10.514 1.00 0.00 H new ATOM 0 HD22 ASN A 97 13.407 -2.985 -10.911 1.00 0.00 H new ATOM 1062 N ASN A 98 10.678 0.764 -7.339 1.00 0.00 N ATOM 1063 CA ASN A 98 10.900 2.021 -6.614 1.00 0.00 C ATOM 1064 C ASN A 98 9.794 3.047 -6.834 1.00 0.00 C ATOM 1065 O ASN A 98 9.952 4.210 -6.468 1.00 0.00 O ATOM 1066 CB ASN A 98 12.247 2.628 -6.993 1.00 0.00 C ATOM 1067 CG ASN A 98 13.364 1.846 -6.318 1.00 0.00 C ATOM 1068 OD1 ASN A 98 13.120 0.815 -5.692 1.00 0.00 O ATOM 1069 ND2 ASN A 98 14.586 2.344 -6.435 1.00 0.00 N ATOM 0 H ASN A 98 10.490 -0.035 -6.733 1.00 0.00 H new ATOM 0 HA ASN A 98 10.892 1.765 -5.555 1.00 0.00 H new ATOM 0 HB2 ASN A 98 12.376 2.606 -8.075 1.00 0.00 H new ATOM 0 HB3 ASN A 98 12.285 3.674 -6.688 1.00 0.00 H new ATOM 0 HD22 ASN A 98 14.738 3.202 -6.965 1.00 0.00 H new ATOM 1075 N ARG A 99 8.671 2.626 -7.399 1.00 0.00 N ATOM 1076 CA ARG A 99 7.560 3.546 -7.609 1.00 0.00 C ATOM 1077 C ARG A 99 6.365 3.121 -6.768 1.00 0.00 C ATOM 1078 O ARG A 99 6.162 1.934 -6.519 1.00 0.00 O ATOM 1079 CB ARG A 99 7.156 3.596 -9.084 1.00 0.00 C ATOM 1080 CG ARG A 99 8.228 4.334 -9.887 1.00 0.00 C ATOM 1081 CD ARG A 99 7.746 4.515 -11.329 1.00 0.00 C ATOM 1082 NE ARG A 99 8.835 4.985 -12.180 1.00 0.00 N ATOM 1083 CZ ARG A 99 9.874 4.207 -12.455 1.00 0.00 C ATOM 1084 NH1 ARG A 99 9.925 2.998 -11.971 1.00 0.00 N ATOM 1085 NH2 ARG A 99 10.841 4.651 -13.210 1.00 0.00 N ATOM 0 H ARG A 99 8.505 1.671 -7.716 1.00 0.00 H new ATOM 0 HA ARG A 99 7.886 4.541 -7.306 1.00 0.00 H new ATOM 0 HB2 ARG A 99 7.030 2.585 -9.471 1.00 0.00 H new ATOM 0 HB3 ARG A 99 6.196 4.101 -9.191 1.00 0.00 H new ATOM 0 HG2 ARG A 99 8.433 5.305 -9.435 1.00 0.00 H new ATOM 0 HG3 ARG A 99 9.162 3.772 -9.871 1.00 0.00 H new ATOM 0 HD2 ARG A 99 7.361 3.569 -11.711 1.00 0.00 H new ATOM 0 HD3 ARG A 99 6.922 5.228 -11.356 1.00 0.00 H new ATOM 0 HE ARG A 99 8.797 5.927 -12.570 1.00 0.00 H new ATOM 0 HH11 ARG A 99 9.167 2.652 -11.382 1.00 0.00 H new ATOM 0 HH12 ARG A 99 10.723 2.398 -12.181 1.00 0.00 H new ATOM 0 HH21 ARG A 99 10.799 5.597 -13.589 1.00 0.00 H new ATOM 0 HH22 ARG A 99 11.639 4.052 -13.421 1.00 0.00 H new ATOM 1099 N THR A 100 5.579 4.094 -6.331 1.00 0.00 N ATOM 1100 CA THR A 100 4.406 3.801 -5.520 1.00 0.00 C ATOM 1101 C THR A 100 3.326 3.147 -6.380 1.00 0.00 C ATOM 1102 O THR A 100 2.552 2.317 -5.899 1.00 0.00 O ATOM 1103 CB THR A 100 3.878 5.091 -4.884 1.00 0.00 C ATOM 1104 OG1 THR A 100 4.904 5.684 -4.099 1.00 0.00 O ATOM 1105 CG2 THR A 100 2.677 4.772 -3.991 1.00 0.00 C ATOM 0 H THR A 100 5.730 5.085 -6.522 1.00 0.00 H new ATOM 0 HA THR A 100 4.683 3.108 -4.726 1.00 0.00 H new ATOM 0 HB THR A 100 3.571 5.781 -5.670 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.171 5.065 -3.388 1.00 0.00 H new ATOM 0 HG21 THR A 100 2.304 5.692 -3.540 1.00 0.00 H new ATOM 0 HG22 THR A 100 1.889 4.316 -4.590 1.00 0.00 H new ATOM 0 HG23 THR A 100 2.981 4.080 -3.205 1.00 0.00 H new ATOM 1113 N GLN A 101 3.290 3.522 -7.657 1.00 0.00 N ATOM 1114 CA GLN A 101 2.312 2.962 -8.584 1.00 0.00 C ATOM 1115 C GLN A 101 2.854 2.966 -10.013 1.00 0.00 C ATOM 1116 O GLN A 101 3.752 3.739 -10.343 1.00 0.00 O ATOM 1117 CB GLN A 101 1.010 3.764 -8.525 1.00 0.00 C ATOM 1118 CG GLN A 101 1.274 5.206 -8.967 1.00 0.00 C ATOM 1119 CD GLN A 101 0.791 5.428 -10.400 1.00 0.00 C ATOM 1120 OE1 GLN A 101 -0.214 4.735 -10.861 1.00 0.00 O flip ATOM 1121 NE2 GLN A 101 1.346 6.261 -11.118 1.00 0.00 N flip ATOM 0 H GLN A 101 3.923 4.207 -8.070 1.00 0.00 H new ATOM 0 HA GLN A 101 2.115 1.932 -8.288 1.00 0.00 H new ATOM 0 HB2 GLN A 101 0.260 3.307 -9.170 1.00 0.00 H new ATOM 0 HB3 GLN A 101 0.609 3.751 -7.512 1.00 0.00 H new ATOM 0 HG2 GLN A 101 0.765 5.897 -8.295 1.00 0.00 H new ATOM 0 HG3 GLN A 101 2.340 5.423 -8.899 1.00 0.00 H new ATOM 0 HE21 GLN A 101 2.132 6.803 -10.757 1.00 0.00 H new ATOM 0 HE22 GLN A 101 1.020 6.409 -12.073 1.00 0.00 H new ATOM 1130 N CYS A 102 2.300 2.097 -10.855 1.00 0.00 N ATOM 1131 CA CYS A 102 2.741 2.019 -12.248 1.00 0.00 C ATOM 1132 C CYS A 102 1.656 1.447 -13.158 1.00 0.00 C ATOM 1133 O CYS A 102 0.917 0.538 -12.773 1.00 0.00 O ATOM 1134 CB CYS A 102 4.005 1.164 -12.355 1.00 0.00 C ATOM 1135 SG CYS A 102 3.587 -0.585 -12.143 1.00 0.00 S ATOM 0 H CYS A 102 1.556 1.446 -10.604 1.00 0.00 H new ATOM 0 HA CYS A 102 2.955 3.035 -12.579 1.00 0.00 H new ATOM 0 HB2 CYS A 102 4.478 1.319 -13.325 1.00 0.00 H new ATOM 0 HB3 CYS A 102 4.726 1.469 -11.596 1.00 0.00 H new ATOM 1140 N VAL A 103 1.581 1.988 -14.373 1.00 0.00 N ATOM 1141 CA VAL A 103 0.601 1.536 -15.355 1.00 0.00 C ATOM 1142 C VAL A 103 1.309 1.049 -16.621 1.00 0.00 C ATOM 1143 O VAL A 103 2.108 1.776 -17.211 1.00 0.00 O ATOM 1144 CB VAL A 103 -0.346 2.689 -15.697 1.00 0.00 C ATOM 1145 CG1 VAL A 103 -1.334 2.247 -16.778 1.00 0.00 C ATOM 1146 CG2 VAL A 103 -1.116 3.096 -14.437 1.00 0.00 C ATOM 0 H VAL A 103 2.188 2.740 -14.699 1.00 0.00 H new ATOM 0 HA VAL A 103 0.028 0.709 -14.935 1.00 0.00 H new ATOM 0 HB VAL A 103 0.232 3.536 -16.067 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -2.005 3.072 -17.017 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.786 1.954 -17.674 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -1.916 1.400 -16.415 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -1.793 3.917 -14.673 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -1.691 2.245 -14.072 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -0.413 3.415 -13.668 1.00 0.00 H new ATOM 1156 N VAL A 104 1.024 -0.188 -17.028 1.00 0.00 N ATOM 1157 CA VAL A 104 1.662 -0.751 -18.217 1.00 0.00 C ATOM 1158 C VAL A 104 0.669 -1.519 -19.083 1.00 0.00 C ATOM 1159 O VAL A 104 -0.243 -2.165 -18.571 1.00 0.00 O ATOM 1160 CB VAL A 104 2.785 -1.694 -17.799 1.00 0.00 C ATOM 1161 CG1 VAL A 104 3.520 -2.169 -19.049 1.00 0.00 C ATOM 1162 CG2 VAL A 104 3.759 -0.958 -16.872 1.00 0.00 C ATOM 0 H VAL A 104 0.366 -0.811 -16.560 1.00 0.00 H new ATOM 0 HA VAL A 104 2.057 0.079 -18.802 1.00 0.00 H new ATOM 0 HB VAL A 104 2.371 -2.551 -17.267 1.00 0.00 H new ATOM 0 HG11 VAL A 104 4.326 -2.845 -18.763 1.00 0.00 H new ATOM 0 HG12 VAL A 104 2.823 -2.692 -19.704 1.00 0.00 H new ATOM 0 HG13 VAL A 104 3.936 -1.310 -19.575 1.00 0.00 H new ATOM 0 HG21 VAL A 104 4.560 -1.635 -16.575 1.00 0.00 H new ATOM 0 HG22 VAL A 104 4.183 -0.101 -17.396 1.00 0.00 H new ATOM 0 HG23 VAL A 104 3.227 -0.614 -15.985 1.00 0.00 H new ATOM 1172 N VAL A 105 0.865 -1.458 -20.402 1.00 0.00 N ATOM 1173 CA VAL A 105 -0.014 -2.173 -21.329 1.00 0.00 C ATOM 1174 C VAL A 105 0.378 -3.647 -21.389 1.00 0.00 C ATOM 1175 O VAL A 105 1.492 -3.976 -21.779 1.00 0.00 O ATOM 1176 CB VAL A 105 0.084 -1.557 -22.731 1.00 0.00 C ATOM 1177 CG1 VAL A 105 -0.914 -2.245 -23.669 1.00 0.00 C ATOM 1178 CG2 VAL A 105 -0.239 -0.064 -22.655 1.00 0.00 C ATOM 0 H VAL A 105 1.614 -0.928 -20.848 1.00 0.00 H new ATOM 0 HA VAL A 105 -1.041 -2.088 -20.973 1.00 0.00 H new ATOM 0 HB VAL A 105 1.095 -1.694 -23.115 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.841 -1.805 -24.664 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -0.686 -3.309 -23.726 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -1.926 -2.111 -23.286 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -0.170 0.374 -23.651 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -1.249 0.070 -22.269 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.472 0.429 -21.991 1.00 0.00 H new ATOM 1188 N ALA A 106 -0.534 -4.525 -20.973 1.00 0.00 N ATOM 1189 CA ALA A 106 -0.263 -5.964 -20.957 1.00 0.00 C ATOM 1190 C ALA A 106 -0.180 -6.547 -22.366 1.00 0.00 C ATOM 1191 O ALA A 106 -0.615 -7.675 -22.597 1.00 0.00 O ATOM 1192 CB ALA A 106 -1.369 -6.691 -20.187 1.00 0.00 C ATOM 0 H ALA A 106 -1.464 -4.267 -20.643 1.00 0.00 H new ATOM 0 HA ALA A 106 0.702 -6.107 -20.470 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -1.163 -7.761 -20.178 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -1.404 -6.319 -19.163 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -2.329 -6.510 -20.671 1.00 0.00 H new ATOM 1198 N GLY A 107 0.375 -5.791 -23.304 1.00 0.00 N ATOM 1199 CA GLY A 107 0.494 -6.280 -24.675 1.00 0.00 C ATOM 1200 C GLY A 107 1.153 -5.251 -25.586 1.00 0.00 C ATOM 1201 O GLY A 107 2.280 -4.822 -25.343 1.00 0.00 O ATOM 0 H GLY A 107 0.744 -4.853 -23.148 1.00 0.00 H new ATOM 0 HA2 GLY A 107 1.078 -7.200 -24.684 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -0.495 -6.527 -25.060 1.00 0.00 H new ATOM 1205 N SER A 108 0.435 -4.865 -26.635 1.00 0.00 N ATOM 1206 CA SER A 108 0.941 -3.890 -27.595 1.00 0.00 C ATOM 1207 C SER A 108 2.458 -3.991 -27.737 1.00 0.00 C ATOM 1208 O SER A 108 3.058 -5.011 -27.393 1.00 0.00 O ATOM 1209 CB SER A 108 0.562 -2.481 -27.140 1.00 0.00 C ATOM 1210 OG SER A 108 0.469 -1.635 -28.277 1.00 0.00 O ATOM 0 H SER A 108 -0.501 -5.213 -26.843 1.00 0.00 H new ATOM 0 HA SER A 108 0.492 -4.101 -28.566 1.00 0.00 H new ATOM 0 HB2 SER A 108 -0.389 -2.501 -26.607 1.00 0.00 H new ATOM 0 HB3 SER A 108 1.309 -2.097 -26.445 1.00 0.00 H new ATOM 0 HG SER A 108 0.224 -0.730 -27.992 1.00 0.00 H new ATOM 1216 N ASP A 109 3.072 -2.931 -28.256 1.00 0.00 N ATOM 1217 CA ASP A 109 4.518 -2.910 -28.447 1.00 0.00 C ATOM 1218 C ASP A 109 5.237 -2.931 -27.102 1.00 0.00 C ATOM 1219 O ASP A 109 6.466 -2.915 -27.050 1.00 0.00 O ATOM 1220 CB ASP A 109 4.938 -1.654 -29.222 1.00 0.00 C ATOM 1221 CG ASP A 109 4.471 -1.739 -30.673 1.00 0.00 C ATOM 1222 OD1 ASP A 109 4.197 -2.839 -31.125 1.00 0.00 O ATOM 1223 OD2 ASP A 109 4.398 -0.701 -31.311 1.00 0.00 O ATOM 0 H ASP A 109 2.593 -2.080 -28.550 1.00 0.00 H new ATOM 0 HA ASP A 109 4.794 -3.797 -29.017 1.00 0.00 H new ATOM 0 HB2 ASP A 109 4.514 -0.769 -28.749 1.00 0.00 H new ATOM 0 HB3 ASP A 109 6.022 -1.545 -29.189 1.00 0.00 H new ATOM 1228 N ALA A 110 4.468 -2.955 -26.014 1.00 0.00 N ATOM 1229 CA ALA A 110 5.062 -2.961 -24.681 1.00 0.00 C ATOM 1230 C ALA A 110 5.438 -4.380 -24.261 1.00 0.00 C ATOM 1231 O ALA A 110 6.200 -4.573 -23.314 1.00 0.00 O ATOM 1232 CB ALA A 110 4.083 -2.369 -23.667 1.00 0.00 C ATOM 0 H ALA A 110 3.448 -2.970 -26.029 1.00 0.00 H new ATOM 0 HA ALA A 110 5.967 -2.354 -24.709 1.00 0.00 H new ATOM 0 HB1 ALA A 110 4.536 -2.378 -22.676 1.00 0.00 H new ATOM 0 HB2 ALA A 110 3.845 -1.343 -23.948 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.169 -2.963 -23.654 1.00 0.00 H new ATOM 1238 N PHE A 111 4.922 -5.367 -24.986 1.00 0.00 N ATOM 1239 CA PHE A 111 5.238 -6.763 -24.694 1.00 0.00 C ATOM 1240 C PHE A 111 5.349 -7.561 -25.993 1.00 0.00 C ATOM 1241 O PHE A 111 4.434 -7.538 -26.815 1.00 0.00 O ATOM 1242 CB PHE A 111 4.155 -7.402 -23.828 1.00 0.00 C ATOM 1243 CG PHE A 111 4.325 -6.972 -22.392 1.00 0.00 C ATOM 1244 CD1 PHE A 111 5.251 -7.617 -21.565 1.00 0.00 C ATOM 1245 CD2 PHE A 111 3.547 -5.929 -21.893 1.00 0.00 C ATOM 1246 CE1 PHE A 111 5.398 -7.213 -20.234 1.00 0.00 C ATOM 1247 CE2 PHE A 111 3.691 -5.524 -20.563 1.00 0.00 C ATOM 1248 CZ PHE A 111 4.616 -6.166 -19.733 1.00 0.00 C ATOM 0 H PHE A 111 4.289 -5.230 -25.774 1.00 0.00 H new ATOM 0 HA PHE A 111 6.187 -6.780 -24.157 1.00 0.00 H new ATOM 0 HB2 PHE A 111 3.169 -7.110 -24.190 1.00 0.00 H new ATOM 0 HB3 PHE A 111 4.213 -8.488 -23.901 1.00 0.00 H new ATOM 0 HD1 PHE A 111 5.852 -8.426 -21.954 1.00 0.00 H new ATOM 0 HD2 PHE A 111 2.833 -5.434 -22.534 1.00 0.00 H new ATOM 0 HE1 PHE A 111 6.114 -7.708 -19.594 1.00 0.00 H new ATOM 0 HE2 PHE A 111 3.088 -4.716 -20.176 1.00 0.00 H new ATOM 0 HZ PHE A 111 4.727 -5.854 -18.705 1.00 0.00 H new ATOM 1258 N PRO A 112 6.432 -8.267 -26.190 1.00 0.00 N ATOM 1259 CA PRO A 112 6.634 -9.092 -27.415 1.00 0.00 C ATOM 1260 C PRO A 112 5.431 -9.989 -27.710 1.00 0.00 C ATOM 1261 O PRO A 112 4.290 -9.649 -27.400 1.00 0.00 O ATOM 1262 CB PRO A 112 7.861 -9.945 -27.094 1.00 0.00 C ATOM 1263 CG PRO A 112 8.579 -9.257 -25.979 1.00 0.00 C ATOM 1264 CD PRO A 112 7.578 -8.346 -25.275 1.00 0.00 C ATOM 0 HA PRO A 112 6.760 -8.468 -28.300 1.00 0.00 H new ATOM 0 HB2 PRO A 112 7.567 -10.953 -26.802 1.00 0.00 H new ATOM 0 HB3 PRO A 112 8.505 -10.042 -27.968 1.00 0.00 H new ATOM 0 HG2 PRO A 112 8.989 -9.986 -25.281 1.00 0.00 H new ATOM 0 HG3 PRO A 112 9.418 -8.678 -26.364 1.00 0.00 H new ATOM 0 HD2 PRO A 112 7.284 -8.754 -24.308 1.00 0.00 H new ATOM 0 HD3 PRO A 112 8.004 -7.360 -25.089 1.00 0.00 H new ATOM 1272 N ASP A 113 5.705 -11.141 -28.311 1.00 0.00 N ATOM 1273 CA ASP A 113 4.659 -12.099 -28.650 1.00 0.00 C ATOM 1274 C ASP A 113 5.206 -13.521 -28.509 1.00 0.00 C ATOM 1275 O ASP A 113 5.644 -14.124 -29.489 1.00 0.00 O ATOM 1276 CB ASP A 113 4.183 -11.857 -30.087 1.00 0.00 C ATOM 1277 CG ASP A 113 2.817 -12.501 -30.306 1.00 0.00 C ATOM 1278 OD1 ASP A 113 2.659 -13.653 -29.940 1.00 0.00 O ATOM 1279 OD2 ASP A 113 1.948 -11.832 -30.841 1.00 0.00 O ATOM 0 H ASP A 113 6.646 -11.435 -28.574 1.00 0.00 H new ATOM 0 HA ASP A 113 3.814 -11.972 -27.973 1.00 0.00 H new ATOM 0 HB2 ASP A 113 4.124 -10.786 -30.283 1.00 0.00 H new ATOM 0 HB3 ASP A 113 4.905 -12.270 -30.791 1.00 0.00 H new ATOM 1284 N PRO A 114 5.219 -14.048 -27.305 1.00 0.00 N ATOM 1285 CA PRO A 114 5.759 -15.416 -27.016 1.00 0.00 C ATOM 1286 C PRO A 114 4.814 -16.546 -27.417 1.00 0.00 C ATOM 1287 O PRO A 114 5.151 -17.722 -27.281 1.00 0.00 O ATOM 1288 CB PRO A 114 5.951 -15.386 -25.502 1.00 0.00 C ATOM 1289 CG PRO A 114 4.857 -14.496 -25.018 1.00 0.00 C ATOM 1290 CD PRO A 114 4.717 -13.401 -26.074 1.00 0.00 C ATOM 0 HA PRO A 114 6.666 -15.620 -27.586 1.00 0.00 H new ATOM 0 HB2 PRO A 114 5.875 -16.384 -25.070 1.00 0.00 H new ATOM 0 HB3 PRO A 114 6.932 -14.996 -25.232 1.00 0.00 H new ATOM 0 HG2 PRO A 114 3.925 -15.049 -24.902 1.00 0.00 H new ATOM 0 HG3 PRO A 114 5.100 -14.072 -24.044 1.00 0.00 H new ATOM 0 HD2 PRO A 114 3.682 -13.078 -26.183 1.00 0.00 H new ATOM 0 HD3 PRO A 114 5.301 -12.518 -25.817 1.00 0.00 H new ATOM 1298 N CYS A 115 3.641 -16.191 -27.916 1.00 0.00 N ATOM 1299 CA CYS A 115 2.669 -17.196 -28.339 1.00 0.00 C ATOM 1300 C CYS A 115 1.545 -16.548 -29.142 1.00 0.00 C ATOM 1301 O CYS A 115 0.389 -16.477 -28.707 1.00 0.00 O ATOM 1302 CB CYS A 115 2.107 -17.942 -27.123 1.00 0.00 C ATOM 1303 SG CYS A 115 1.841 -16.785 -25.756 1.00 0.00 S ATOM 0 H CYS A 115 3.337 -15.225 -28.039 1.00 0.00 H new ATOM 0 HA CYS A 115 3.174 -17.918 -28.981 1.00 0.00 H new ATOM 0 HB2 CYS A 115 1.168 -18.429 -27.387 1.00 0.00 H new ATOM 0 HB3 CYS A 115 2.798 -18.727 -26.816 1.00 0.00 H new ATOM 1308 N PRO A 116 1.876 -16.082 -30.312 1.00 0.00 N ATOM 1309 CA PRO A 116 0.905 -15.418 -31.224 1.00 0.00 C ATOM 1310 C PRO A 116 -0.313 -16.293 -31.486 1.00 0.00 C ATOM 1311 O PRO A 116 -0.226 -17.520 -31.460 1.00 0.00 O ATOM 1312 CB PRO A 116 1.699 -15.184 -32.514 1.00 0.00 C ATOM 1313 CG PRO A 116 3.139 -15.255 -32.128 1.00 0.00 C ATOM 1314 CD PRO A 116 3.225 -16.147 -30.891 1.00 0.00 C ATOM 0 HA PRO A 116 0.511 -14.495 -30.798 1.00 0.00 H new ATOM 0 HB2 PRO A 116 1.458 -15.938 -33.263 1.00 0.00 H new ATOM 0 HB3 PRO A 116 1.459 -14.214 -32.950 1.00 0.00 H new ATOM 0 HG2 PRO A 116 3.737 -15.665 -32.942 1.00 0.00 H new ATOM 0 HG3 PRO A 116 3.531 -14.260 -31.915 1.00 0.00 H new ATOM 0 HD2 PRO A 116 3.498 -17.169 -31.154 1.00 0.00 H new ATOM 0 HD3 PRO A 116 3.978 -15.786 -30.190 1.00 0.00 H new ATOM 1322 N GLY A 117 -1.446 -15.657 -31.749 1.00 0.00 N ATOM 1323 CA GLY A 117 -2.670 -16.391 -32.029 1.00 0.00 C ATOM 1324 C GLY A 117 -3.288 -16.956 -30.754 1.00 0.00 C ATOM 1325 O GLY A 117 -4.360 -17.559 -30.799 1.00 0.00 O ATOM 0 H GLY A 117 -1.542 -14.642 -31.774 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -3.386 -15.732 -32.520 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -2.457 -17.204 -32.723 1.00 0.00 H new ATOM 1329 N THR A 118 -2.632 -16.741 -29.611 1.00 0.00 N ATOM 1330 CA THR A 118 -3.153 -17.217 -28.335 1.00 0.00 C ATOM 1331 C THR A 118 -3.425 -16.009 -27.440 1.00 0.00 C ATOM 1332 O THR A 118 -2.700 -15.017 -27.512 1.00 0.00 O ATOM 1333 CB THR A 118 -2.120 -18.137 -27.670 1.00 0.00 C ATOM 1334 OG1 THR A 118 -1.709 -19.136 -28.593 1.00 0.00 O ATOM 1335 CG2 THR A 118 -2.729 -18.807 -26.437 1.00 0.00 C ATOM 0 H THR A 118 -1.744 -16.243 -29.547 1.00 0.00 H new ATOM 0 HA THR A 118 -4.075 -17.777 -28.491 1.00 0.00 H new ATOM 0 HB THR A 118 -1.260 -17.541 -27.365 1.00 0.00 H new ATOM 0 HG1 THR A 118 -1.048 -19.722 -28.168 1.00 0.00 H new ATOM 0 HG21 THR A 118 -1.988 -19.457 -25.973 1.00 0.00 H new ATOM 0 HG22 THR A 118 -3.039 -18.043 -25.724 1.00 0.00 H new ATOM 0 HG23 THR A 118 -3.595 -19.398 -26.735 1.00 0.00 H new ATOM 1343 N TYR A 119 -4.448 -16.074 -26.591 1.00 0.00 N ATOM 1344 CA TYR A 119 -4.731 -14.941 -25.710 1.00 0.00 C ATOM 1345 C TYR A 119 -3.864 -15.052 -24.462 1.00 0.00 C ATOM 1346 O TYR A 119 -3.948 -16.025 -23.713 1.00 0.00 O ATOM 1347 CB TYR A 119 -6.213 -14.899 -25.339 1.00 0.00 C ATOM 1348 CG TYR A 119 -6.583 -13.513 -24.876 1.00 0.00 C ATOM 1349 CD1 TYR A 119 -6.382 -12.408 -25.716 1.00 0.00 C ATOM 1350 CD2 TYR A 119 -7.135 -13.331 -23.606 1.00 0.00 C ATOM 1351 CE1 TYR A 119 -6.734 -11.123 -25.280 1.00 0.00 C ATOM 1352 CE2 TYR A 119 -7.487 -12.052 -23.173 1.00 0.00 C ATOM 1353 CZ TYR A 119 -7.289 -10.947 -24.006 1.00 0.00 C ATOM 1354 OH TYR A 119 -7.637 -9.681 -23.572 1.00 0.00 O ATOM 0 H TYR A 119 -5.077 -16.871 -26.494 1.00 0.00 H new ATOM 0 HA TYR A 119 -4.496 -14.012 -26.230 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -6.821 -15.180 -26.199 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -6.421 -15.623 -24.552 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -5.956 -12.547 -26.699 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -7.290 -14.181 -22.958 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -6.578 -10.271 -25.925 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -7.914 -11.915 -22.190 1.00 0.00 H new ATOM 0 HH TYR A 119 -6.837 -9.213 -23.253 1.00 0.00 H new ATOM 1364 N LYS A 120 -2.978 -14.084 -24.298 1.00 0.00 N ATOM 1365 CA LYS A 120 -2.021 -14.099 -23.199 1.00 0.00 C ATOM 1366 C LYS A 120 -2.500 -13.353 -21.951 1.00 0.00 C ATOM 1367 O LYS A 120 -3.679 -13.051 -21.781 1.00 0.00 O ATOM 1368 CB LYS A 120 -0.727 -13.468 -23.704 1.00 0.00 C ATOM 1369 CG LYS A 120 -0.346 -14.147 -25.015 1.00 0.00 C ATOM 1370 CD LYS A 120 0.974 -13.586 -25.532 1.00 0.00 C ATOM 1371 CE LYS A 120 1.237 -14.147 -26.929 1.00 0.00 C ATOM 1372 NZ LYS A 120 0.985 -13.086 -27.943 1.00 0.00 N ATOM 0 H LYS A 120 -2.900 -13.274 -24.913 1.00 0.00 H new ATOM 0 HA LYS A 120 -1.883 -15.136 -22.892 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -0.860 -12.397 -23.855 1.00 0.00 H new ATOM 0 HB3 LYS A 120 0.068 -13.589 -22.968 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -0.258 -15.223 -24.864 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -1.131 -13.992 -25.755 1.00 0.00 H new ATOM 0 HD2 LYS A 120 0.934 -12.497 -25.564 1.00 0.00 H new ATOM 0 HD3 LYS A 120 1.788 -13.855 -24.858 1.00 0.00 H new ATOM 0 HE2 LYS A 120 2.266 -14.500 -27.004 1.00 0.00 H new ATOM 0 HE3 LYS A 120 0.591 -15.005 -27.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 1.228 -13.445 -28.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -0.020 -12.818 -27.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 1.570 -12.254 -27.727 1.00 0.00 H new ATOM 1386 N TYR A 121 -1.516 -13.009 -21.129 1.00 0.00 N ATOM 1387 CA TYR A 121 -1.761 -12.231 -19.916 1.00 0.00 C ATOM 1388 C TYR A 121 -0.464 -11.843 -19.218 1.00 0.00 C ATOM 1389 O TYR A 121 0.625 -12.237 -19.635 1.00 0.00 O ATOM 1390 CB TYR A 121 -2.712 -12.963 -18.952 1.00 0.00 C ATOM 1391 CG TYR A 121 -2.109 -14.243 -18.420 1.00 0.00 C ATOM 1392 CD1 TYR A 121 -1.015 -14.209 -17.544 1.00 0.00 C ATOM 1393 CD2 TYR A 121 -2.674 -15.472 -18.786 1.00 0.00 C ATOM 1394 CE1 TYR A 121 -0.485 -15.405 -17.042 1.00 0.00 C ATOM 1395 CE2 TYR A 121 -2.147 -16.665 -18.280 1.00 0.00 C ATOM 1396 CZ TYR A 121 -1.051 -16.632 -17.409 1.00 0.00 C ATOM 1397 OH TYR A 121 -0.532 -17.809 -16.909 1.00 0.00 O ATOM 0 H TYR A 121 -0.538 -13.256 -21.279 1.00 0.00 H new ATOM 0 HA TYR A 121 -2.252 -11.309 -20.228 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -2.959 -12.305 -18.118 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -3.646 -13.189 -19.467 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -0.581 -13.263 -17.257 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -3.518 -15.498 -19.460 1.00 0.00 H new ATOM 0 HE1 TYR A 121 0.361 -15.380 -16.371 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -2.585 -17.611 -18.561 1.00 0.00 H new ATOM 0 HH TYR A 121 0.090 -17.608 -16.179 1.00 0.00 H new ATOM 1407 N LEU A 122 -0.595 -11.071 -18.144 1.00 0.00 N ATOM 1408 CA LEU A 122 0.563 -10.636 -17.378 1.00 0.00 C ATOM 1409 C LEU A 122 0.288 -10.784 -15.892 1.00 0.00 C ATOM 1410 O LEU A 122 -0.690 -10.251 -15.374 1.00 0.00 O ATOM 1411 CB LEU A 122 0.890 -9.173 -17.698 1.00 0.00 C ATOM 1412 CG LEU A 122 2.030 -8.684 -16.794 1.00 0.00 C ATOM 1413 CD1 LEU A 122 3.283 -9.525 -17.043 1.00 0.00 C ATOM 1414 CD2 LEU A 122 2.341 -7.218 -17.107 1.00 0.00 C ATOM 0 H LEU A 122 -1.490 -10.736 -17.787 1.00 0.00 H new ATOM 0 HA LEU A 122 1.415 -11.259 -17.650 1.00 0.00 H new ATOM 0 HB2 LEU A 122 1.177 -9.076 -18.745 1.00 0.00 H new ATOM 0 HB3 LEU A 122 0.006 -8.553 -17.551 1.00 0.00 H new ATOM 0 HG LEU A 122 1.725 -8.781 -15.752 1.00 0.00 H new ATOM 0 HD11 LEU A 122 4.090 -9.175 -16.399 1.00 0.00 H new ATOM 0 HD12 LEU A 122 3.069 -10.571 -16.821 1.00 0.00 H new ATOM 0 HD13 LEU A 122 3.584 -9.430 -18.086 1.00 0.00 H new ATOM 0 HD21 LEU A 122 3.151 -6.873 -16.464 1.00 0.00 H new ATOM 0 HD22 LEU A 122 2.641 -7.125 -18.151 1.00 0.00 H new ATOM 0 HD23 LEU A 122 1.453 -6.612 -16.929 1.00 0.00 H new ATOM 1426 N GLU A 123 1.174 -11.492 -15.212 1.00 0.00 N ATOM 1427 CA GLU A 123 1.047 -11.695 -13.779 1.00 0.00 C ATOM 1428 C GLU A 123 2.261 -11.091 -13.099 1.00 0.00 C ATOM 1429 O GLU A 123 3.391 -11.387 -13.482 1.00 0.00 O ATOM 1430 CB GLU A 123 0.966 -13.192 -13.467 1.00 0.00 C ATOM 1431 CG GLU A 123 0.649 -13.375 -11.982 1.00 0.00 C ATOM 1432 CD GLU A 123 0.680 -14.854 -11.610 1.00 0.00 C ATOM 1433 OE1 GLU A 123 0.958 -15.660 -12.483 1.00 0.00 O ATOM 1434 OE2 GLU A 123 0.423 -15.157 -10.457 1.00 0.00 O ATOM 0 H GLU A 123 1.991 -11.937 -15.631 1.00 0.00 H new ATOM 0 HA GLU A 123 0.138 -11.216 -13.415 1.00 0.00 H new ATOM 0 HB2 GLU A 123 0.195 -13.663 -14.077 1.00 0.00 H new ATOM 0 HB3 GLU A 123 1.909 -13.679 -13.713 1.00 0.00 H new ATOM 0 HG2 GLU A 123 1.373 -12.827 -11.379 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -0.333 -12.958 -11.759 1.00 0.00 H new ATOM 1441 N VAL A 124 2.041 -10.228 -12.114 1.00 0.00 N ATOM 1442 CA VAL A 124 3.167 -9.591 -11.443 1.00 0.00 C ATOM 1443 C VAL A 124 3.050 -9.665 -9.928 1.00 0.00 C ATOM 1444 O VAL A 124 2.073 -9.197 -9.343 1.00 0.00 O ATOM 1445 CB VAL A 124 3.248 -8.116 -11.851 1.00 0.00 C ATOM 1446 CG1 VAL A 124 4.519 -7.496 -11.265 1.00 0.00 C ATOM 1447 CG2 VAL A 124 3.281 -7.995 -13.377 1.00 0.00 C ATOM 0 H VAL A 124 1.120 -9.959 -11.769 1.00 0.00 H new ATOM 0 HA VAL A 124 4.065 -10.129 -11.747 1.00 0.00 H new ATOM 0 HB VAL A 124 2.372 -7.591 -11.470 1.00 0.00 H new ATOM 0 HG11 VAL A 124 4.579 -6.447 -11.554 1.00 0.00 H new ATOM 0 HG12 VAL A 124 4.493 -7.572 -10.178 1.00 0.00 H new ATOM 0 HG13 VAL A 124 5.392 -8.027 -11.645 1.00 0.00 H new ATOM 0 HG21 VAL A 124 3.339 -6.943 -13.657 1.00 0.00 H new ATOM 0 HG22 VAL A 124 4.153 -8.522 -13.765 1.00 0.00 H new ATOM 0 HG23 VAL A 124 2.375 -8.433 -13.796 1.00 0.00 H new ATOM 1457 N GLN A 125 4.071 -10.230 -9.296 1.00 0.00 N ATOM 1458 CA GLN A 125 4.093 -10.327 -7.845 1.00 0.00 C ATOM 1459 C GLN A 125 5.157 -9.388 -7.307 1.00 0.00 C ATOM 1460 O GLN A 125 6.294 -9.380 -7.782 1.00 0.00 O ATOM 1461 CB GLN A 125 4.395 -11.761 -7.411 1.00 0.00 C ATOM 1462 CG GLN A 125 3.172 -12.639 -7.676 1.00 0.00 C ATOM 1463 CD GLN A 125 3.556 -13.794 -8.587 1.00 0.00 C ATOM 1464 OE1 GLN A 125 2.939 -13.939 -9.726 1.00 0.00 O flip ATOM 1465 NE2 GLN A 125 4.444 -14.580 -8.258 1.00 0.00 N flip ATOM 0 H GLN A 125 4.888 -10.625 -9.762 1.00 0.00 H new ATOM 0 HA GLN A 125 3.117 -10.048 -7.448 1.00 0.00 H new ATOM 0 HB2 GLN A 125 5.257 -12.144 -7.957 1.00 0.00 H new ATOM 0 HB3 GLN A 125 4.652 -11.786 -6.352 1.00 0.00 H new ATOM 0 HG2 GLN A 125 2.777 -13.022 -6.735 1.00 0.00 H new ATOM 0 HG3 GLN A 125 2.381 -12.047 -8.137 1.00 0.00 H new ATOM 0 HE21 GLN A 125 4.924 -14.463 -7.366 1.00 0.00 H new ATOM 0 HE22 GLN A 125 4.700 -15.349 -8.878 1.00 0.00 H new ATOM 1474 N TYR A 126 4.776 -8.574 -6.342 1.00 0.00 N ATOM 1475 CA TYR A 126 5.704 -7.607 -5.786 1.00 0.00 C ATOM 1476 C TYR A 126 5.350 -7.260 -4.347 1.00 0.00 C ATOM 1477 O TYR A 126 4.283 -7.618 -3.845 1.00 0.00 O ATOM 1478 CB TYR A 126 5.667 -6.347 -6.644 1.00 0.00 C ATOM 1479 CG TYR A 126 4.351 -5.653 -6.423 1.00 0.00 C ATOM 1480 CD1 TYR A 126 4.223 -4.716 -5.396 1.00 0.00 C ATOM 1481 CD2 TYR A 126 3.256 -5.958 -7.237 1.00 0.00 C ATOM 1482 CE1 TYR A 126 2.999 -4.080 -5.182 1.00 0.00 C ATOM 1483 CE2 TYR A 126 2.031 -5.322 -7.021 1.00 0.00 C ATOM 1484 CZ TYR A 126 1.901 -4.383 -5.993 1.00 0.00 C ATOM 1485 OH TYR A 126 0.689 -3.757 -5.780 1.00 0.00 O ATOM 0 H TYR A 126 3.843 -8.561 -5.930 1.00 0.00 H new ATOM 0 HA TYR A 126 6.704 -8.040 -5.786 1.00 0.00 H new ATOM 0 HB2 TYR A 126 6.492 -5.686 -6.380 1.00 0.00 H new ATOM 0 HB3 TYR A 126 5.787 -6.603 -7.697 1.00 0.00 H new ATOM 0 HD1 TYR A 126 5.070 -4.483 -4.768 1.00 0.00 H new ATOM 0 HD2 TYR A 126 3.357 -6.683 -8.031 1.00 0.00 H new ATOM 0 HE1 TYR A 126 2.900 -3.353 -4.389 1.00 0.00 H new ATOM 0 HE2 TYR A 126 1.184 -5.556 -7.649 1.00 0.00 H new ATOM 0 HH TYR A 126 -0.041 -4.371 -6.005 1.00 0.00 H new ATOM 1495 N ASP A 127 6.260 -6.555 -3.692 1.00 0.00 N ATOM 1496 CA ASP A 127 6.056 -6.152 -2.310 1.00 0.00 C ATOM 1497 C ASP A 127 6.153 -4.636 -2.174 1.00 0.00 C ATOM 1498 O ASP A 127 6.757 -3.968 -3.014 1.00 0.00 O ATOM 1499 CB ASP A 127 7.120 -6.812 -1.434 1.00 0.00 C ATOM 1500 CG ASP A 127 6.916 -8.320 -1.424 1.00 0.00 C ATOM 1501 OD1 ASP A 127 5.788 -8.742 -1.609 1.00 0.00 O ATOM 1502 OD2 ASP A 127 7.889 -9.031 -1.236 1.00 0.00 O ATOM 0 H ASP A 127 7.146 -6.251 -4.095 1.00 0.00 H new ATOM 0 HA ASP A 127 5.062 -6.467 -1.992 1.00 0.00 H new ATOM 0 HB2 ASP A 127 8.114 -6.573 -1.811 1.00 0.00 H new ATOM 0 HB3 ASP A 127 7.062 -6.421 -0.418 1.00 0.00 H new ATOM 1507 N CYS A 128 5.568 -4.098 -1.107 1.00 0.00 N ATOM 1508 CA CYS A 128 5.614 -2.661 -0.872 1.00 0.00 C ATOM 1509 C CYS A 128 6.483 -2.358 0.344 1.00 0.00 C ATOM 1510 O CYS A 128 6.120 -2.687 1.473 1.00 0.00 O ATOM 1511 CB CYS A 128 4.202 -2.119 -0.643 1.00 0.00 C ATOM 1512 SG CYS A 128 3.231 -2.289 -2.160 1.00 0.00 S ATOM 0 H CYS A 128 5.062 -4.630 -0.399 1.00 0.00 H new ATOM 0 HA CYS A 128 6.044 -2.177 -1.749 1.00 0.00 H new ATOM 0 HB2 CYS A 128 3.721 -2.662 0.171 1.00 0.00 H new ATOM 0 HB3 CYS A 128 4.248 -1.072 -0.344 1.00 0.00 H new ATOM 1517 N VAL A 129 7.632 -1.732 0.108 1.00 0.00 N ATOM 1518 CA VAL A 129 8.542 -1.394 1.198 1.00 0.00 C ATOM 1519 C VAL A 129 8.612 0.123 1.375 1.00 0.00 C ATOM 1520 O VAL A 129 8.370 0.867 0.427 1.00 0.00 O ATOM 1521 CB VAL A 129 9.936 -1.956 0.902 1.00 0.00 C ATOM 1522 CG1 VAL A 129 9.840 -3.467 0.677 1.00 0.00 C ATOM 1523 CG2 VAL A 129 10.499 -1.291 -0.355 1.00 0.00 C ATOM 0 H VAL A 129 7.953 -1.451 -0.818 1.00 0.00 H new ATOM 0 HA VAL A 129 8.169 -1.836 2.122 1.00 0.00 H new ATOM 0 HB VAL A 129 10.595 -1.754 1.747 1.00 0.00 H new ATOM 0 HG11 VAL A 129 10.832 -3.867 0.466 1.00 0.00 H new ATOM 0 HG12 VAL A 129 9.439 -3.943 1.572 1.00 0.00 H new ATOM 0 HG13 VAL A 129 9.181 -3.668 -0.167 1.00 0.00 H new ATOM 0 HG21 VAL A 129 11.491 -1.691 -0.565 1.00 0.00 H new ATOM 0 HG22 VAL A 129 9.840 -1.493 -1.199 1.00 0.00 H new ATOM 0 HG23 VAL A 129 10.568 -0.215 -0.197 1.00 0.00 H new ATOM 1533 N PRO A 130 8.932 0.597 2.559 1.00 0.00 N ATOM 1534 CA PRO A 130 9.021 2.060 2.829 1.00 0.00 C ATOM 1535 C PRO A 130 10.031 2.754 1.920 1.00 0.00 C ATOM 1536 O PRO A 130 11.069 2.184 1.582 1.00 0.00 O ATOM 1537 CB PRO A 130 9.472 2.173 4.288 1.00 0.00 C ATOM 1538 CG PRO A 130 9.395 0.806 4.885 1.00 0.00 C ATOM 1539 CD PRO A 130 9.243 -0.208 3.752 1.00 0.00 C ATOM 0 HA PRO A 130 8.063 2.544 2.641 1.00 0.00 H new ATOM 0 HB2 PRO A 130 10.489 2.561 4.347 1.00 0.00 H new ATOM 0 HB3 PRO A 130 8.834 2.867 4.835 1.00 0.00 H new ATOM 0 HG2 PRO A 130 10.293 0.595 5.465 1.00 0.00 H new ATOM 0 HG3 PRO A 130 8.550 0.739 5.570 1.00 0.00 H new ATOM 0 HD2 PRO A 130 10.158 -0.784 3.612 1.00 0.00 H new ATOM 0 HD3 PRO A 130 8.447 -0.922 3.965 1.00 0.00 H new ATOM 1547 N TYR A 131 9.736 3.997 1.551 1.00 0.00 N ATOM 1548 CA TYR A 131 10.653 4.751 0.709 1.00 0.00 C ATOM 1549 C TYR A 131 11.845 5.197 1.550 1.00 0.00 C ATOM 1550 O TYR A 131 11.678 5.630 2.689 1.00 0.00 O ATOM 1551 CB TYR A 131 9.965 5.972 0.091 1.00 0.00 C ATOM 1552 CG TYR A 131 10.912 6.595 -0.904 1.00 0.00 C ATOM 1553 CD1 TYR A 131 11.283 5.881 -2.048 1.00 0.00 C ATOM 1554 CD2 TYR A 131 11.435 7.873 -0.674 1.00 0.00 C ATOM 1555 CE1 TYR A 131 12.180 6.441 -2.964 1.00 0.00 C ATOM 1556 CE2 TYR A 131 12.330 8.436 -1.593 1.00 0.00 C ATOM 1557 CZ TYR A 131 12.704 7.719 -2.737 1.00 0.00 C ATOM 1558 OH TYR A 131 13.596 8.270 -3.634 1.00 0.00 O ATOM 0 H TYR A 131 8.886 4.494 1.816 1.00 0.00 H new ATOM 0 HA TYR A 131 10.987 4.109 -0.106 1.00 0.00 H new ATOM 0 HB2 TYR A 131 9.038 5.677 -0.400 1.00 0.00 H new ATOM 0 HB3 TYR A 131 9.701 6.692 0.866 1.00 0.00 H new ATOM 0 HD1 TYR A 131 10.877 4.896 -2.224 1.00 0.00 H new ATOM 0 HD2 TYR A 131 11.149 8.424 0.210 1.00 0.00 H new ATOM 0 HE1 TYR A 131 12.468 5.888 -3.846 1.00 0.00 H new ATOM 0 HE2 TYR A 131 12.732 9.423 -1.419 1.00 0.00 H new ATOM 0 HH TYR A 131 13.860 9.162 -3.326 1.00 0.00 H new ATOM 1568 N LYS A 132 13.047 5.070 1.001 1.00 0.00 N ATOM 1569 CA LYS A 132 14.248 5.448 1.743 1.00 0.00 C ATOM 1570 C LYS A 132 14.661 6.889 1.426 1.00 0.00 C ATOM 1571 O LYS A 132 14.493 7.358 0.301 1.00 0.00 O ATOM 1572 CB LYS A 132 15.400 4.498 1.387 1.00 0.00 C ATOM 1573 CG LYS A 132 15.073 3.063 1.832 1.00 0.00 C ATOM 1574 CD LYS A 132 16.299 2.176 1.583 1.00 0.00 C ATOM 1575 CE LYS A 132 16.008 0.729 2.001 1.00 0.00 C ATOM 1576 NZ LYS A 132 15.241 0.709 3.279 1.00 0.00 N ATOM 0 H LYS A 132 13.218 4.714 0.060 1.00 0.00 H new ATOM 0 HA LYS A 132 14.025 5.377 2.808 1.00 0.00 H new ATOM 0 HB2 LYS A 132 15.578 4.520 0.312 1.00 0.00 H new ATOM 0 HB3 LYS A 132 16.318 4.834 1.869 1.00 0.00 H new ATOM 0 HG2 LYS A 132 14.804 3.048 2.888 1.00 0.00 H new ATOM 0 HG3 LYS A 132 14.214 2.683 1.279 1.00 0.00 H new ATOM 0 HD2 LYS A 132 16.571 2.208 0.528 1.00 0.00 H new ATOM 0 HD3 LYS A 132 17.152 2.558 2.144 1.00 0.00 H new ATOM 0 HE2 LYS A 132 15.441 0.224 1.219 1.00 0.00 H new ATOM 0 HE3 LYS A 132 16.943 0.182 2.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 15.324 -0.230 3.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 15.624 1.429 3.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 14.240 0.914 3.086 1.00 0.00 H new ATOM 1590 N VAL A 133 15.216 7.586 2.423 1.00 0.00 N ATOM 1591 CA VAL A 133 15.655 8.967 2.220 1.00 0.00 C ATOM 1592 C VAL A 133 17.082 8.994 1.675 1.00 0.00 C ATOM 1593 O VAL A 133 17.965 8.299 2.177 1.00 0.00 O ATOM 1594 CB VAL A 133 15.593 9.750 3.538 1.00 0.00 C ATOM 1595 CG1 VAL A 133 16.122 11.169 3.314 1.00 0.00 C ATOM 1596 CG2 VAL A 133 14.142 9.831 4.026 1.00 0.00 C ATOM 0 H VAL A 133 15.369 7.222 3.364 1.00 0.00 H new ATOM 0 HA VAL A 133 14.986 9.435 1.498 1.00 0.00 H new ATOM 0 HB VAL A 133 16.202 9.240 4.284 1.00 0.00 H new ATOM 0 HG11 VAL A 133 16.078 11.726 4.250 1.00 0.00 H new ATOM 0 HG12 VAL A 133 17.155 11.122 2.968 1.00 0.00 H new ATOM 0 HG13 VAL A 133 15.511 11.671 2.564 1.00 0.00 H new ATOM 0 HG21 VAL A 133 14.104 10.388 4.962 1.00 0.00 H new ATOM 0 HG22 VAL A 133 13.534 10.338 3.277 1.00 0.00 H new ATOM 0 HG23 VAL A 133 13.755 8.825 4.186 1.00 0.00 H new ATOM 1606 N GLU A 134 17.291 9.798 0.635 1.00 0.00 N ATOM 1607 CA GLU A 134 18.605 9.914 0.004 1.00 0.00 C ATOM 1608 C GLU A 134 18.989 8.602 -0.675 1.00 0.00 C ATOM 1609 O GLU A 134 18.643 8.436 -1.834 1.00 0.00 O ATOM 1610 CB GLU A 134 19.665 10.288 1.042 1.00 0.00 C ATOM 1611 CG GLU A 134 20.979 10.623 0.330 1.00 0.00 C ATOM 1612 CD GLU A 134 22.044 11.006 1.351 1.00 0.00 C ATOM 1613 OE1 GLU A 134 21.681 11.266 2.487 1.00 0.00 O ATOM 1614 OE2 GLU A 134 23.207 11.042 0.981 1.00 0.00 O ATOM 1615 OXT GLU A 134 19.621 7.784 -0.028 1.00 0.00 O ATOM 0 H GLU A 134 16.568 10.379 0.211 1.00 0.00 H new ATOM 0 HA GLU A 134 18.553 10.700 -0.749 1.00 0.00 H new ATOM 0 HB2 GLU A 134 19.329 11.142 1.629 1.00 0.00 H new ATOM 0 HB3 GLU A 134 19.816 9.462 1.738 1.00 0.00 H new ATOM 0 HG2 GLU A 134 21.315 9.766 -0.253 1.00 0.00 H new ATOM 0 HG3 GLU A 134 20.823 11.444 -0.370 1.00 0.00 H new TER 1622 GLU A 134 HETATM 1623 C1 NAG A 135 15.701 1.666 -5.811 1.00 0.00 C HETATM 1624 C2 NAG A 135 16.708 1.252 -6.854 1.00 0.00 C HETATM 1625 C3 NAG A 135 17.854 0.546 -6.183 1.00 0.00 C HETATM 1626 C4 NAG A 135 18.485 1.469 -5.174 1.00 0.00 C HETATM 1627 C5 NAG A 135 17.437 1.930 -4.182 1.00 0.00 C HETATM 1628 C6 NAG A 135 17.989 2.975 -3.216 1.00 0.00 C HETATM 1629 C7 NAG A 135 15.633 0.857 -8.995 1.00 0.00 C HETATM 1630 C8 NAG A 135 15.033 -0.120 -9.980 1.00 0.00 C HETATM 1631 N2 NAG A 135 16.097 0.360 -7.851 1.00 0.00 N HETATM 1632 O3 NAG A 135 18.825 0.155 -7.163 1.00 0.00 O HETATM 1633 O4 NAG A 135 19.541 0.787 -4.484 1.00 0.00 O HETATM 1634 O5 NAG A 135 16.310 2.523 -4.872 1.00 0.00 O HETATM 1635 O6 NAG A 135 18.908 2.386 -2.283 1.00 0.00 O HETATM 1636 O7 NAG A 135 15.680 2.057 -9.272 1.00 0.00 O HETATM 0 HO6 NAG A 135 19.248 3.078 -1.677 1.00 0.00 H new HETATM 0 HO4 NAG A 135 19.625 1.147 -3.576 1.00 0.00 H new HETATM 0 HO3 NAG A 135 19.570 -0.303 -6.721 1.00 0.00 H new HETATM 0 HN2 NAG A 135 16.029 -0.641 -7.665 1.00 0.00 H new HETATM 0 H83 NAG A 135 15.785 -0.856 -10.266 1.00 0.00 H new HETATM 0 H82 NAG A 135 14.186 -0.628 -9.519 1.00 0.00 H new HETATM 0 H81 NAG A 135 14.695 0.418 -10.866 1.00 0.00 H new HETATM 0 H62 NAG A 135 18.491 3.763 -3.777 1.00 0.00 H new HETATM 0 H61 NAG A 135 17.167 3.443 -2.674 1.00 0.00 H new HETATM 0 H5 NAG A 135 17.129 1.046 -3.624 1.00 0.00 H new HETATM 0 H4 NAG A 135 18.899 2.336 -5.689 1.00 0.00 H new HETATM 0 H3 NAG A 135 17.486 -0.346 -5.677 1.00 0.00 H new HETATM 0 H2 NAG A 135 17.066 2.145 -7.367 1.00 0.00 H new