USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 801 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 78 LYS NZ :NH3+ 179:sc= 0.639 (180deg=0) USER MOD Set 1.2: A 86 THR OG1 : rot -80:sc= -2.91 USER MOD Set 2.1: A 71 ASN : amide:sc= -9.2! C(o=-9.1!,f=-16!) USER MOD Set 2.2: A 90 SER OG : rot 75:sc= 0.0734 USER MOD Set 3.1: A 19 ASN :FLIP amide:sc= -0.0411 F(o=-2.7,f=0.066) USER MOD Set 3.2: A 57 LYS NZ :NH3+ -178:sc= 0.107 (180deg=0) USER MOD Set 4.1: A 35 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 38 ASN : amide:sc= -3.79! C(o=-3.8!,f=-4.4!) USER MOD Set 5.1: A 31 LYS NZ :NH3+ -156:sc= -0.588 (180deg=0) USER MOD Set 5.2: A 33 ASN : amide:sc= -2.81 X(o=-2.7,f=-3.1) USER MOD Set 5.3: A 36 LYS NZ :NH3+ 149:sc= 0.715 (180deg=0.0679) USER MOD Single : A 8 THR OG1 : rot 65:sc= 1.07 USER MOD Single : A 13 THR OG1 : rot 180:sc= -1.65 USER MOD Single : A 21 SER OG : rot 150:sc= -2! USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 25:sc= 0.0442 USER MOD Single : A 39 HIS :FLIP no HD1:sc= -0.585 F(o=-1.7,f=-0.58) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= 0.849 K(o=0.85,f=-0.7) USER MOD Single : A 56 SER OG : rot -160:sc= -0.861 USER MOD Single : A 64 ASN : amide:sc= -2.2 K(o=-2.2,f=-6.6!) USER MOD Single : A 66 GLN : amide:sc= -5.29 K(o=-5.3,f=-5.9!) USER MOD Single : A 74 SER OG : rot 25:sc= 0.0636! USER MOD Single : A 80 ASN : amide:sc= -1.02 K(o=-1,f=-1.7) USER MOD Single : A 81 GLN : amide:sc= -7.67! C(o=-7.7!,f=-7.8!) USER MOD Single : A 84 MET CE :methyl -111:sc= -7.48! (180deg=-12.4!) USER MOD Single : A 91 MET CE :methyl -123:sc= -3.17 (180deg=-7.49!) USER MOD Single : A 92 SER OG : rot 91:sc= 1.13 USER MOD Single : A 93 THR OG1 : rot -63:sc= 0.111 USER MOD Single : A 96 ASN :FLIP amide:sc= -5.03! C(o=-7.7!,f=-5!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 MET CE :methyl -154:sc= -2.79! (180deg=-5.26!) USER MOD Single : A 102 GLN : amide:sc= -0.0401 K(o=-0.04,f=-0.78) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 7 -3.122 -10.900 -15.528 1.00 0.00 N ATOM 2 CA GLY A 7 -3.830 -11.998 -14.899 1.00 0.00 C ATOM 3 C GLY A 7 -4.573 -11.564 -13.652 1.00 0.00 C ATOM 4 O GLY A 7 -5.798 -11.449 -13.659 1.00 0.00 O ATOM 0 HA2 GLY A 7 -4.537 -12.426 -15.610 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.121 -12.785 -14.641 1.00 0.00 H new ATOM 8 N THR A 8 -3.828 -11.319 -12.578 1.00 0.00 N ATOM 9 CA THR A 8 -4.424 -10.893 -11.317 1.00 0.00 C ATOM 10 C THR A 8 -3.433 -10.070 -10.498 1.00 0.00 C ATOM 11 O THR A 8 -3.161 -10.380 -9.338 1.00 0.00 O ATOM 12 CB THR A 8 -4.895 -12.103 -10.510 1.00 0.00 C ATOM 13 OG1 THR A 8 -3.796 -12.750 -9.889 1.00 0.00 O ATOM 14 CG2 THR A 8 -5.624 -13.135 -11.343 1.00 0.00 C ATOM 0 H THR A 8 -2.812 -11.408 -12.556 1.00 0.00 H new ATOM 0 HA THR A 8 -5.286 -10.267 -11.547 1.00 0.00 H new ATOM 0 HB THR A 8 -5.589 -11.703 -9.771 1.00 0.00 H new ATOM 0 HG1 THR A 8 -3.390 -12.147 -9.232 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.930 -13.966 -10.707 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.506 -12.681 -11.795 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.962 -13.503 -12.127 1.00 0.00 H new ATOM 22 N ARG A 9 -2.896 -9.020 -11.112 1.00 0.00 N ATOM 23 CA ARG A 9 -1.936 -8.151 -10.442 1.00 0.00 C ATOM 24 C ARG A 9 -1.484 -7.027 -11.368 1.00 0.00 C ATOM 25 O ARG A 9 -0.662 -7.237 -12.262 1.00 0.00 O ATOM 26 CB ARG A 9 -0.724 -8.959 -9.967 1.00 0.00 C ATOM 27 CG ARG A 9 -0.733 -9.241 -8.474 1.00 0.00 C ATOM 28 CD ARG A 9 0.675 -9.255 -7.903 1.00 0.00 C ATOM 29 NE ARG A 9 0.720 -8.732 -6.540 1.00 0.00 N ATOM 30 CZ ARG A 9 1.836 -8.337 -5.933 1.00 0.00 C ATOM 31 NH1 ARG A 9 3.002 -8.404 -6.564 1.00 0.00 N ATOM 32 NH2 ARG A 9 1.788 -7.873 -4.691 1.00 0.00 N ATOM 0 H ARG A 9 -3.110 -8.751 -12.072 1.00 0.00 H new ATOM 0 HA ARG A 9 -2.427 -7.709 -9.575 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -0.693 -9.905 -10.508 1.00 0.00 H new ATOM 0 HB3 ARG A 9 0.187 -8.417 -10.221 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.327 -8.483 -7.963 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.213 -10.202 -8.287 1.00 0.00 H new ATOM 0 HD2 ARG A 9 1.059 -10.275 -7.912 1.00 0.00 H new ATOM 0 HD3 ARG A 9 1.330 -8.661 -8.540 1.00 0.00 H new ATOM 0 HE ARG A 9 -0.157 -8.666 -6.023 1.00 0.00 H new ATOM 0 HH11 ARG A 9 3.045 -8.760 -7.519 1.00 0.00 H new ATOM 0 HH12 ARG A 9 3.855 -8.100 -6.094 1.00 0.00 H new ATOM 0 HH21 ARG A 9 0.895 -7.819 -4.201 1.00 0.00 H new ATOM 0 HH22 ARG A 9 2.644 -7.570 -4.226 1.00 0.00 H new ATOM 46 N GLU A 10 -2.027 -5.832 -11.152 1.00 0.00 N ATOM 47 CA GLU A 10 -1.680 -4.677 -11.970 1.00 0.00 C ATOM 48 C GLU A 10 -0.928 -3.633 -11.148 1.00 0.00 C ATOM 49 O GLU A 10 -1.410 -3.181 -10.109 1.00 0.00 O ATOM 50 CB GLU A 10 -2.942 -4.056 -12.573 1.00 0.00 C ATOM 51 CG GLU A 10 -3.984 -3.667 -11.538 1.00 0.00 C ATOM 52 CD GLU A 10 -5.179 -2.964 -12.151 1.00 0.00 C ATOM 53 OE1 GLU A 10 -5.033 -2.394 -13.250 1.00 0.00 O ATOM 54 OE2 GLU A 10 -6.262 -2.983 -11.528 1.00 0.00 O ATOM 0 H GLU A 10 -2.708 -5.640 -10.418 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.029 -5.016 -12.776 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.663 -3.171 -13.146 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.385 -4.763 -13.274 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.322 -4.561 -11.014 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.526 -3.016 -10.794 1.00 0.00 H new ATOM 61 N PHE A 11 0.257 -3.256 -11.620 1.00 0.00 N ATOM 62 CA PHE A 11 1.074 -2.266 -10.929 1.00 0.00 C ATOM 63 C PHE A 11 0.714 -0.854 -11.378 1.00 0.00 C ATOM 64 O PHE A 11 0.433 -0.620 -12.552 1.00 0.00 O ATOM 65 CB PHE A 11 2.559 -2.531 -11.186 1.00 0.00 C ATOM 66 CG PHE A 11 3.071 -3.777 -10.521 1.00 0.00 C ATOM 67 CD1 PHE A 11 2.803 -4.025 -9.185 1.00 0.00 C ATOM 68 CD2 PHE A 11 3.819 -4.701 -11.233 1.00 0.00 C ATOM 69 CE1 PHE A 11 3.273 -5.170 -8.570 1.00 0.00 C ATOM 70 CE2 PHE A 11 4.291 -5.848 -10.625 1.00 0.00 C ATOM 71 CZ PHE A 11 4.017 -6.084 -9.290 1.00 0.00 C ATOM 0 H PHE A 11 0.672 -3.621 -12.477 1.00 0.00 H new ATOM 0 HA PHE A 11 0.876 -2.350 -9.861 1.00 0.00 H new ATOM 0 HB2 PHE A 11 2.725 -2.608 -12.260 1.00 0.00 H new ATOM 0 HB3 PHE A 11 3.138 -1.677 -10.834 1.00 0.00 H new ATOM 0 HD1 PHE A 11 2.220 -3.315 -8.617 1.00 0.00 H new ATOM 0 HD2 PHE A 11 4.036 -4.522 -12.276 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.059 -5.350 -7.527 1.00 0.00 H new ATOM 0 HE2 PHE A 11 4.873 -6.560 -11.191 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.384 -6.980 -8.812 1.00 0.00 H new ATOM 81 N LEU A 12 0.721 0.084 -10.435 1.00 0.00 N ATOM 82 CA LEU A 12 0.391 1.472 -10.741 1.00 0.00 C ATOM 83 C LEU A 12 1.320 2.434 -10.006 1.00 0.00 C ATOM 84 O LEU A 12 1.727 2.177 -8.872 1.00 0.00 O ATOM 85 CB LEU A 12 -1.062 1.767 -10.367 1.00 0.00 C ATOM 86 CG LEU A 12 -2.056 0.654 -10.696 1.00 0.00 C ATOM 87 CD1 LEU A 12 -3.260 0.723 -9.771 1.00 0.00 C ATOM 88 CD2 LEU A 12 -2.493 0.741 -12.151 1.00 0.00 C ATOM 0 H LEU A 12 0.951 -0.091 -9.457 1.00 0.00 H new ATOM 0 HA LEU A 12 0.523 1.619 -11.813 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.111 1.972 -9.298 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.375 2.676 -10.880 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.561 -0.305 -10.543 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.957 -0.077 -10.020 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.932 0.610 -8.738 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.756 1.686 -9.891 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.201 -0.059 -12.367 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.969 1.705 -12.331 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.622 0.640 -12.799 1.00 0.00 H new ATOM 100 N THR A 13 1.643 3.545 -10.657 1.00 0.00 N ATOM 101 CA THR A 13 2.516 4.555 -10.069 1.00 0.00 C ATOM 102 C THR A 13 1.724 5.815 -9.735 1.00 0.00 C ATOM 103 O THR A 13 0.854 6.231 -10.500 1.00 0.00 O ATOM 104 CB THR A 13 3.656 4.897 -11.031 1.00 0.00 C ATOM 105 OG1 THR A 13 4.257 3.717 -11.534 1.00 0.00 O ATOM 106 CG2 THR A 13 4.746 5.732 -10.393 1.00 0.00 C ATOM 0 H THR A 13 1.313 3.770 -11.595 1.00 0.00 H new ATOM 0 HA THR A 13 2.938 4.151 -9.149 1.00 0.00 H new ATOM 0 HB THR A 13 3.197 5.478 -11.831 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.982 3.956 -12.148 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.523 5.939 -11.129 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.323 6.672 -10.037 1.00 0.00 H new ATOM 0 HG23 THR A 13 5.177 5.187 -9.553 1.00 0.00 H new ATOM 114 N PHE A 14 2.019 6.415 -8.586 1.00 0.00 N ATOM 115 CA PHE A 14 1.316 7.620 -8.161 1.00 0.00 C ATOM 116 C PHE A 14 2.263 8.630 -7.518 1.00 0.00 C ATOM 117 O PHE A 14 3.188 8.262 -6.796 1.00 0.00 O ATOM 118 CB PHE A 14 0.198 7.263 -7.183 1.00 0.00 C ATOM 119 CG PHE A 14 -0.878 6.406 -7.789 1.00 0.00 C ATOM 120 CD1 PHE A 14 -1.420 6.722 -9.024 1.00 0.00 C ATOM 121 CD2 PHE A 14 -1.348 5.286 -7.121 1.00 0.00 C ATOM 122 CE1 PHE A 14 -2.409 5.936 -9.584 1.00 0.00 C ATOM 123 CE2 PHE A 14 -2.338 4.498 -7.674 1.00 0.00 C ATOM 124 CZ PHE A 14 -2.869 4.821 -8.908 1.00 0.00 C ATOM 0 H PHE A 14 2.735 6.089 -7.937 1.00 0.00 H new ATOM 0 HA PHE A 14 0.888 8.081 -9.051 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.627 6.742 -6.327 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.250 8.182 -6.805 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.065 7.593 -9.555 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -0.935 5.027 -6.157 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.822 6.192 -10.548 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.697 3.629 -7.142 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.641 4.204 -9.343 1.00 0.00 H new ATOM 134 N GLU A 15 2.008 9.909 -7.782 1.00 0.00 N ATOM 135 CA GLU A 15 2.816 10.993 -7.229 1.00 0.00 C ATOM 136 C GLU A 15 1.997 11.784 -6.215 1.00 0.00 C ATOM 137 O GLU A 15 1.052 12.485 -6.580 1.00 0.00 O ATOM 138 CB GLU A 15 3.305 11.920 -8.346 1.00 0.00 C ATOM 139 CG GLU A 15 3.552 11.213 -9.669 1.00 0.00 C ATOM 140 CD GLU A 15 2.311 11.150 -10.538 1.00 0.00 C ATOM 141 OE1 GLU A 15 1.444 10.289 -10.275 1.00 0.00 O ATOM 142 OE2 GLU A 15 2.205 11.963 -11.480 1.00 0.00 O ATOM 0 H GLU A 15 1.243 10.222 -8.380 1.00 0.00 H new ATOM 0 HA GLU A 15 3.685 10.563 -6.730 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.568 12.709 -8.499 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.228 12.403 -8.026 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.344 11.730 -10.211 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.907 10.201 -9.475 1.00 0.00 H new ATOM 149 N VAL A 16 2.349 11.656 -4.941 1.00 0.00 N ATOM 150 CA VAL A 16 1.627 12.348 -3.878 1.00 0.00 C ATOM 151 C VAL A 16 2.389 13.578 -3.385 1.00 0.00 C ATOM 152 O VAL A 16 3.390 13.454 -2.680 1.00 0.00 O ATOM 153 CB VAL A 16 1.347 11.416 -2.678 1.00 0.00 C ATOM 154 CG1 VAL A 16 -0.044 11.674 -2.124 1.00 0.00 C ATOM 155 CG2 VAL A 16 1.502 9.954 -3.074 1.00 0.00 C ATOM 0 H VAL A 16 3.128 11.081 -4.619 1.00 0.00 H new ATOM 0 HA VAL A 16 0.679 12.666 -4.311 1.00 0.00 H new ATOM 0 HB VAL A 16 2.079 11.633 -1.900 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.228 11.010 -1.279 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.118 12.710 -1.794 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.785 11.487 -2.901 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.299 9.320 -2.211 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.798 9.717 -3.872 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.519 9.777 -3.423 1.00 0.00 H new ATOM 165 N PRO A 17 1.922 14.790 -3.747 1.00 0.00 N ATOM 166 CA PRO A 17 2.561 16.044 -3.338 1.00 0.00 C ATOM 167 C PRO A 17 2.292 16.388 -1.875 1.00 0.00 C ATOM 168 O PRO A 17 1.278 17.010 -1.556 1.00 0.00 O ATOM 169 CB PRO A 17 1.922 17.103 -4.256 1.00 0.00 C ATOM 170 CG PRO A 17 1.084 16.348 -5.238 1.00 0.00 C ATOM 171 CD PRO A 17 0.744 15.042 -4.583 1.00 0.00 C ATOM 0 HA PRO A 17 3.646 15.984 -3.426 1.00 0.00 H new ATOM 0 HB2 PRO A 17 1.314 17.802 -3.681 1.00 0.00 H new ATOM 0 HB3 PRO A 17 2.686 17.690 -4.766 1.00 0.00 H new ATOM 0 HG2 PRO A 17 0.181 16.905 -5.488 1.00 0.00 H new ATOM 0 HG3 PRO A 17 1.627 16.186 -6.169 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.168 15.111 -3.989 1.00 0.00 H new ATOM 0 HD3 PRO A 17 0.589 14.249 -5.315 1.00 0.00 H new ATOM 179 N LEU A 18 3.207 15.996 -0.987 1.00 0.00 N ATOM 180 CA LEU A 18 3.055 16.281 0.440 1.00 0.00 C ATOM 181 C LEU A 18 3.615 17.653 0.789 1.00 0.00 C ATOM 182 O LEU A 18 3.990 17.915 1.932 1.00 0.00 O ATOM 183 CB LEU A 18 3.747 15.213 1.278 1.00 0.00 C ATOM 184 CG LEU A 18 5.268 15.272 1.232 1.00 0.00 C ATOM 185 CD1 LEU A 18 5.817 15.985 2.462 1.00 0.00 C ATOM 186 CD2 LEU A 18 5.854 13.874 1.118 1.00 0.00 C ATOM 0 H LEU A 18 4.055 15.484 -1.229 1.00 0.00 H new ATOM 0 HA LEU A 18 1.989 16.275 0.666 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.422 15.312 2.314 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.422 14.231 0.935 1.00 0.00 H new ATOM 0 HG LEU A 18 5.561 15.840 0.349 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.905 16.016 2.409 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.426 17.002 2.498 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.513 15.448 3.360 1.00 0.00 H new ATOM 0 HD21 LEU A 18 6.942 13.937 1.086 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.550 13.280 1.980 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.491 13.401 0.206 1.00 0.00 H new ATOM 198 N ASN A 19 3.658 18.523 -0.208 1.00 0.00 N ATOM 199 CA ASN A 19 4.156 19.886 -0.053 1.00 0.00 C ATOM 200 C ASN A 19 3.732 20.506 1.281 1.00 0.00 C ATOM 201 O ASN A 19 4.430 21.362 1.825 1.00 0.00 O ATOM 202 CB ASN A 19 3.649 20.748 -1.212 1.00 0.00 C ATOM 203 CG ASN A 19 2.183 21.136 -1.066 1.00 0.00 C ATOM 204 OD1 ASN A 19 1.323 20.153 -0.797 1.00 0.00 O flip ATOM 205 ND2 ASN A 19 1.829 22.308 -1.193 1.00 0.00 N flip ATOM 0 H ASN A 19 3.347 18.304 -1.155 1.00 0.00 H new ATOM 0 HA ASN A 19 5.245 19.847 -0.062 1.00 0.00 H new ATOM 0 HB2 ASN A 19 4.254 21.652 -1.277 1.00 0.00 H new ATOM 0 HB3 ASN A 19 3.785 20.206 -2.148 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.520 23.030 -1.399 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.845 22.557 -1.092 1.00 0.00 H new ATOM 212 N ASP A 20 2.586 20.075 1.799 1.00 0.00 N ATOM 213 CA ASP A 20 2.080 20.601 3.062 1.00 0.00 C ATOM 214 C ASP A 20 1.351 19.530 3.869 1.00 0.00 C ATOM 215 O ASP A 20 0.550 19.844 4.748 1.00 0.00 O ATOM 216 CB ASP A 20 1.145 21.783 2.805 1.00 0.00 C ATOM 217 CG ASP A 20 1.262 22.856 3.870 1.00 0.00 C ATOM 218 OD1 ASP A 20 2.371 23.031 4.416 1.00 0.00 O ATOM 219 OD2 ASP A 20 0.244 23.522 4.157 1.00 0.00 O ATOM 0 H ASP A 20 1.993 19.367 1.366 1.00 0.00 H new ATOM 0 HA ASP A 20 2.938 20.935 3.646 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.371 22.216 1.831 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.116 21.426 2.764 1.00 0.00 H new ATOM 224 N SER A 21 1.633 18.264 3.572 1.00 0.00 N ATOM 225 CA SER A 21 1.001 17.158 4.284 1.00 0.00 C ATOM 226 C SER A 21 2.037 16.302 5.012 1.00 0.00 C ATOM 227 O SER A 21 1.684 15.368 5.731 1.00 0.00 O ATOM 228 CB SER A 21 0.189 16.293 3.318 1.00 0.00 C ATOM 229 OG SER A 21 1.034 15.571 2.442 1.00 0.00 O ATOM 0 H SER A 21 2.292 17.980 2.847 1.00 0.00 H new ATOM 0 HA SER A 21 0.329 17.584 5.029 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.432 15.598 3.883 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.485 16.925 2.739 1.00 0.00 H new ATOM 0 HG SER A 21 0.603 14.727 2.193 1.00 0.00 H new ATOM 235 N GLY A 22 3.316 16.626 4.825 1.00 0.00 N ATOM 236 CA GLY A 22 4.373 15.875 5.476 1.00 0.00 C ATOM 237 C GLY A 22 4.302 15.966 6.986 1.00 0.00 C ATOM 238 O GLY A 22 4.743 15.058 7.690 1.00 0.00 O ATOM 0 H GLY A 22 3.636 17.394 4.235 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.310 14.829 5.175 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.340 16.247 5.138 1.00 0.00 H new ATOM 242 N SER A 23 3.743 17.064 7.488 1.00 0.00 N ATOM 243 CA SER A 23 3.613 17.268 8.927 1.00 0.00 C ATOM 244 C SER A 23 2.897 16.090 9.580 1.00 0.00 C ATOM 245 O SER A 23 3.133 15.775 10.747 1.00 0.00 O ATOM 246 CB SER A 23 2.852 18.565 9.211 1.00 0.00 C ATOM 247 OG SER A 23 1.451 18.366 9.119 1.00 0.00 O ATOM 0 H SER A 23 3.373 17.826 6.919 1.00 0.00 H new ATOM 0 HA SER A 23 4.614 17.342 9.352 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.106 18.929 10.207 1.00 0.00 H new ATOM 0 HB3 SER A 23 3.160 19.334 8.503 1.00 0.00 H new ATOM 0 HG SER A 23 0.988 19.209 9.306 1.00 0.00 H new ATOM 253 N ALA A 24 2.025 15.441 8.816 1.00 0.00 N ATOM 254 CA ALA A 24 1.276 14.293 9.312 1.00 0.00 C ATOM 255 C ALA A 24 1.853 12.984 8.781 1.00 0.00 C ATOM 256 O ALA A 24 1.560 11.908 9.303 1.00 0.00 O ATOM 257 CB ALA A 24 -0.191 14.420 8.925 1.00 0.00 C ATOM 0 H ALA A 24 1.819 15.691 7.849 1.00 0.00 H new ATOM 0 HA ALA A 24 1.359 14.278 10.399 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.742 13.558 9.300 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.604 15.331 9.358 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.279 14.462 7.839 1.00 0.00 H new ATOM 263 N GLY A 25 2.671 13.080 7.735 1.00 0.00 N ATOM 264 CA GLY A 25 3.270 11.895 7.148 1.00 0.00 C ATOM 265 C GLY A 25 2.606 11.509 5.842 1.00 0.00 C ATOM 266 O GLY A 25 2.266 10.346 5.630 1.00 0.00 O ATOM 0 H GLY A 25 2.929 13.958 7.284 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.331 12.073 6.976 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.196 11.065 7.851 1.00 0.00 H new ATOM 270 N LEU A 26 2.426 12.496 4.971 1.00 0.00 N ATOM 271 CA LEU A 26 1.800 12.286 3.669 1.00 0.00 C ATOM 272 C LEU A 26 0.294 12.059 3.788 1.00 0.00 C ATOM 273 O LEU A 26 -0.379 11.793 2.791 1.00 0.00 O ATOM 274 CB LEU A 26 2.446 11.109 2.934 1.00 0.00 C ATOM 275 CG LEU A 26 1.957 10.898 1.500 1.00 0.00 C ATOM 276 CD1 LEU A 26 2.028 12.197 0.710 1.00 0.00 C ATOM 277 CD2 LEU A 26 2.774 9.815 0.813 1.00 0.00 C ATOM 0 H LEU A 26 2.708 13.460 5.146 1.00 0.00 H new ATOM 0 HA LEU A 26 1.959 13.197 3.092 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.525 11.259 2.916 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.261 10.198 3.503 1.00 0.00 H new ATOM 0 HG LEU A 26 0.916 10.576 1.538 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.676 12.024 -0.307 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.400 12.949 1.189 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.059 12.550 0.682 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.413 9.678 -0.206 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.823 10.110 0.789 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.673 8.879 1.363 1.00 0.00 H new ATOM 289 N GLY A 27 -0.240 12.173 5.000 1.00 0.00 N ATOM 290 CA GLY A 27 -1.663 11.982 5.199 1.00 0.00 C ATOM 291 C GLY A 27 -2.144 10.616 4.750 1.00 0.00 C ATOM 292 O GLY A 27 -2.967 10.508 3.843 1.00 0.00 O ATOM 0 H GLY A 27 0.287 12.394 5.845 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.898 12.115 6.255 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.208 12.751 4.652 1.00 0.00 H new ATOM 296 N VAL A 28 -1.642 9.568 5.400 1.00 0.00 N ATOM 297 CA VAL A 28 -2.043 8.199 5.075 1.00 0.00 C ATOM 298 C VAL A 28 -1.427 7.191 6.042 1.00 0.00 C ATOM 299 O VAL A 28 -0.465 7.495 6.748 1.00 0.00 O ATOM 300 CB VAL A 28 -1.657 7.795 3.631 1.00 0.00 C ATOM 301 CG1 VAL A 28 -2.894 7.706 2.755 1.00 0.00 C ATOM 302 CG2 VAL A 28 -0.642 8.763 3.035 1.00 0.00 C ATOM 0 H VAL A 28 -0.958 9.639 6.153 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.129 8.182 5.165 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.190 6.811 3.673 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.604 7.421 1.744 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.575 6.958 3.162 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.393 8.675 2.730 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.393 8.450 2.021 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.067 9.767 3.011 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.261 8.766 3.646 1.00 0.00 H new ATOM 312 N SER A 29 -1.988 5.985 6.056 1.00 0.00 N ATOM 313 CA SER A 29 -1.505 4.913 6.918 1.00 0.00 C ATOM 314 C SER A 29 -1.682 3.564 6.229 1.00 0.00 C ATOM 315 O SER A 29 -2.712 3.309 5.606 1.00 0.00 O ATOM 316 CB SER A 29 -2.253 4.923 8.253 1.00 0.00 C ATOM 317 OG SER A 29 -1.639 5.803 9.176 1.00 0.00 O ATOM 0 H SER A 29 -2.785 5.725 5.474 1.00 0.00 H new ATOM 0 HA SER A 29 -0.445 5.075 7.111 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.288 5.225 8.091 1.00 0.00 H new ATOM 0 HB3 SER A 29 -2.276 3.915 8.668 1.00 0.00 H new ATOM 0 HG SER A 29 -1.139 6.491 8.689 1.00 0.00 H new ATOM 323 N VAL A 30 -0.672 2.704 6.328 1.00 0.00 N ATOM 324 CA VAL A 30 -0.733 1.391 5.695 1.00 0.00 C ATOM 325 C VAL A 30 -0.366 0.272 6.663 1.00 0.00 C ATOM 326 O VAL A 30 0.498 0.433 7.524 1.00 0.00 O ATOM 327 CB VAL A 30 0.200 1.314 4.471 1.00 0.00 C ATOM 328 CG1 VAL A 30 -0.297 2.223 3.359 1.00 0.00 C ATOM 329 CG2 VAL A 30 1.627 1.666 4.864 1.00 0.00 C ATOM 0 H VAL A 30 0.192 2.891 6.837 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.766 1.256 5.375 1.00 0.00 H new ATOM 0 HB VAL A 30 0.194 0.290 4.097 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.376 2.154 2.504 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.299 1.916 3.058 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.325 3.253 3.716 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.271 1.606 3.987 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.654 2.679 5.266 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.979 0.966 5.621 1.00 0.00 H new ATOM 339 N LYS A 31 -1.029 -0.869 6.497 1.00 0.00 N ATOM 340 CA LYS A 31 -0.783 -2.036 7.332 1.00 0.00 C ATOM 341 C LYS A 31 -0.184 -3.163 6.494 1.00 0.00 C ATOM 342 O LYS A 31 -0.373 -3.203 5.280 1.00 0.00 O ATOM 343 CB LYS A 31 -2.080 -2.487 8.010 1.00 0.00 C ATOM 344 CG LYS A 31 -3.047 -3.196 7.079 1.00 0.00 C ATOM 345 CD LYS A 31 -2.652 -4.646 6.891 1.00 0.00 C ATOM 346 CE LYS A 31 -3.868 -5.537 6.696 1.00 0.00 C ATOM 347 NZ LYS A 31 -4.431 -6.002 7.994 1.00 0.00 N ATOM 0 H LYS A 31 -1.746 -1.008 5.785 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.068 -1.771 8.111 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.833 -3.153 8.837 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.576 -1.616 8.439 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.057 -3.140 7.486 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -3.064 -2.691 6.113 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.993 -4.735 6.027 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.087 -4.985 7.759 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.633 -4.991 6.143 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.592 -6.400 6.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.961 -6.884 7.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.657 -6.172 8.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.069 -5.275 8.376 1.00 0.00 H new ATOM 361 N GLY A 32 0.546 -4.065 7.142 1.00 0.00 N ATOM 362 CA GLY A 32 1.163 -5.166 6.422 1.00 0.00 C ATOM 363 C GLY A 32 0.646 -6.522 6.858 1.00 0.00 C ATOM 364 O GLY A 32 0.308 -6.721 8.026 1.00 0.00 O ATOM 0 H GLY A 32 0.721 -4.055 8.147 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.983 -5.041 5.354 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.242 -5.130 6.570 1.00 0.00 H new ATOM 368 N ASN A 33 0.587 -7.457 5.914 1.00 0.00 N ATOM 369 CA ASN A 33 0.112 -8.807 6.200 1.00 0.00 C ATOM 370 C ASN A 33 1.152 -9.848 5.797 1.00 0.00 C ATOM 371 O ASN A 33 2.276 -9.509 5.429 1.00 0.00 O ATOM 372 CB ASN A 33 -1.204 -9.075 5.466 1.00 0.00 C ATOM 373 CG ASN A 33 -2.402 -9.008 6.392 1.00 0.00 C ATOM 374 OD1 ASN A 33 -3.318 -9.828 6.299 1.00 0.00 O ATOM 375 ND2 ASN A 33 -2.401 -8.033 7.292 1.00 0.00 N ATOM 0 H ASN A 33 0.862 -7.304 4.944 1.00 0.00 H new ATOM 0 HA ASN A 33 -0.056 -8.884 7.274 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.326 -8.346 4.665 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -1.163 -10.059 4.999 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -3.180 -7.940 7.944 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.621 -7.377 7.332 1.00 0.00 H new ATOM 382 N ARG A 34 0.764 -11.116 5.869 1.00 0.00 N ATOM 383 CA ARG A 34 1.658 -12.212 5.511 1.00 0.00 C ATOM 384 C ARG A 34 0.900 -13.306 4.767 1.00 0.00 C ATOM 385 O ARG A 34 -0.331 -13.326 4.760 1.00 0.00 O ATOM 386 CB ARG A 34 2.315 -12.791 6.765 1.00 0.00 C ATOM 387 CG ARG A 34 3.207 -11.800 7.498 1.00 0.00 C ATOM 388 CD ARG A 34 2.727 -11.558 8.920 1.00 0.00 C ATOM 389 NE ARG A 34 1.311 -11.201 8.967 1.00 0.00 N ATOM 390 CZ ARG A 34 0.737 -10.577 9.993 1.00 0.00 C ATOM 391 NH1 ARG A 34 1.451 -10.243 11.060 1.00 0.00 N ATOM 392 NH2 ARG A 34 -0.556 -10.288 9.952 1.00 0.00 N ATOM 0 H ARG A 34 -0.164 -11.411 6.172 1.00 0.00 H new ATOM 0 HA ARG A 34 2.433 -11.819 4.853 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.537 -13.139 7.445 1.00 0.00 H new ATOM 0 HB3 ARG A 34 2.907 -13.662 6.485 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.230 -12.176 7.518 1.00 0.00 H new ATOM 0 HG3 ARG A 34 3.226 -10.855 6.954 1.00 0.00 H new ATOM 0 HD2 ARG A 34 2.895 -12.455 9.517 1.00 0.00 H new ATOM 0 HD3 ARG A 34 3.317 -10.760 9.371 1.00 0.00 H new ATOM 0 HE ARG A 34 0.728 -11.444 8.166 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.446 -10.464 11.097 1.00 0.00 H new ATOM 0 HH12 ARG A 34 1.005 -9.765 11.843 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.110 -10.544 9.135 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.997 -9.810 10.738 1.00 0.00 H new ATOM 406 N SER A 35 1.641 -14.214 4.141 1.00 0.00 N ATOM 407 CA SER A 35 1.037 -15.311 3.394 1.00 0.00 C ATOM 408 C SER A 35 0.098 -16.123 4.281 1.00 0.00 C ATOM 409 O SER A 35 0.431 -16.448 5.421 1.00 0.00 O ATOM 410 CB SER A 35 2.121 -16.217 2.808 1.00 0.00 C ATOM 411 OG SER A 35 1.692 -16.811 1.596 1.00 0.00 O ATOM 0 H SER A 35 2.661 -14.212 4.136 1.00 0.00 H new ATOM 0 HA SER A 35 0.454 -14.884 2.578 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.027 -15.637 2.631 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.376 -16.995 3.527 1.00 0.00 H new ATOM 0 HG SER A 35 2.404 -17.384 1.242 1.00 0.00 H new ATOM 417 N LYS A 36 -1.077 -16.445 3.753 1.00 0.00 N ATOM 418 CA LYS A 36 -2.066 -17.216 4.498 1.00 0.00 C ATOM 419 C LYS A 36 -1.587 -18.647 4.735 1.00 0.00 C ATOM 420 O LYS A 36 -2.133 -19.358 5.580 1.00 0.00 O ATOM 421 CB LYS A 36 -3.399 -17.229 3.750 1.00 0.00 C ATOM 422 CG LYS A 36 -4.319 -16.078 4.126 1.00 0.00 C ATOM 423 CD LYS A 36 -3.715 -14.733 3.746 1.00 0.00 C ATOM 424 CE LYS A 36 -3.421 -13.884 4.974 1.00 0.00 C ATOM 425 NZ LYS A 36 -3.078 -12.482 4.609 1.00 0.00 N ATOM 0 H LYS A 36 -1.369 -16.184 2.811 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.203 -16.738 5.468 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.205 -17.193 2.678 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -3.909 -18.171 3.950 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.280 -16.201 3.626 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.512 -16.101 5.198 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.795 -14.893 3.184 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.401 -14.198 3.089 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.289 -13.886 5.633 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.596 -14.326 5.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.389 -11.840 5.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.049 -12.398 4.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.557 -12.227 3.721 1.00 0.00 H new ATOM 439 N GLU A 37 -0.572 -19.069 3.987 1.00 0.00 N ATOM 440 CA GLU A 37 -0.033 -20.417 4.121 1.00 0.00 C ATOM 441 C GLU A 37 1.206 -20.429 5.013 1.00 0.00 C ATOM 442 O GLU A 37 1.505 -21.434 5.658 1.00 0.00 O ATOM 443 CB GLU A 37 0.312 -20.989 2.744 1.00 0.00 C ATOM 444 CG GLU A 37 0.839 -22.413 2.792 1.00 0.00 C ATOM 445 CD GLU A 37 1.150 -22.966 1.416 1.00 0.00 C ATOM 446 OE1 GLU A 37 0.336 -22.753 0.493 1.00 0.00 O ATOM 447 OE2 GLU A 37 2.209 -23.612 1.261 1.00 0.00 O ATOM 0 H GLU A 37 -0.107 -18.497 3.282 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.797 -21.039 4.588 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.578 -20.961 2.115 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.058 -20.350 2.271 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.741 -22.442 3.404 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.103 -23.053 3.279 1.00 0.00 H new ATOM 454 N ASN A 38 1.925 -19.310 5.043 1.00 0.00 N ATOM 455 CA ASN A 38 3.132 -19.204 5.855 1.00 0.00 C ATOM 456 C ASN A 38 3.395 -17.756 6.262 1.00 0.00 C ATOM 457 O ASN A 38 2.846 -16.825 5.674 1.00 0.00 O ATOM 458 CB ASN A 38 4.336 -19.762 5.090 1.00 0.00 C ATOM 459 CG ASN A 38 4.766 -18.871 3.937 1.00 0.00 C ATOM 460 OD1 ASN A 38 5.873 -18.333 3.933 1.00 0.00 O ATOM 461 ND2 ASN A 38 3.890 -18.710 2.952 1.00 0.00 N ATOM 0 H ASN A 38 1.693 -18.468 4.517 1.00 0.00 H new ATOM 0 HA ASN A 38 2.982 -19.791 6.761 1.00 0.00 H new ATOM 0 HB2 ASN A 38 5.172 -19.886 5.778 1.00 0.00 H new ATOM 0 HB3 ASN A 38 4.089 -20.752 4.706 1.00 0.00 H new ATOM 0 HD21 ASN A 38 4.124 -18.122 2.152 1.00 0.00 H new ATOM 0 HD22 ASN A 38 2.983 -19.175 2.995 1.00 0.00 H new ATOM 468 N HIS A 39 4.240 -17.573 7.271 1.00 0.00 N ATOM 469 CA HIS A 39 4.577 -16.240 7.754 1.00 0.00 C ATOM 470 C HIS A 39 5.444 -15.499 6.739 1.00 0.00 C ATOM 471 O HIS A 39 6.608 -15.195 7.003 1.00 0.00 O ATOM 472 CB HIS A 39 5.304 -16.327 9.098 1.00 0.00 C ATOM 473 CG HIS A 39 6.579 -17.109 9.038 1.00 0.00 C ATOM 474 ND1 HIS A 39 7.079 -17.918 8.074 1.00 0.00 N flip ATOM 475 CD2 HIS A 39 7.509 -17.113 10.058 1.00 0.00 C flip ATOM 476 CE1 HIS A 39 8.288 -18.388 8.524 1.00 0.00 C flip ATOM 477 NE2 HIS A 39 8.525 -17.888 9.722 1.00 0.00 N flip ATOM 0 H HIS A 39 4.704 -18.332 7.770 1.00 0.00 H new ATOM 0 HA HIS A 39 3.649 -15.684 7.889 1.00 0.00 H new ATOM 0 HB2 HIS A 39 5.522 -15.319 9.450 1.00 0.00 H new ATOM 0 HB3 HIS A 39 4.641 -16.785 9.832 1.00 0.00 H new ATOM 0 HD2 HIS A 39 7.420 -16.568 10.986 1.00 0.00 H new ATOM 0 HE1 HIS A 39 8.940 -19.059 7.984 1.00 0.00 H new ATOM 0 HE2 HIS A 39 9.352 -18.069 10.292 1.00 0.00 H new ATOM 486 N ALA A 40 4.867 -15.209 5.577 1.00 0.00 N ATOM 487 CA ALA A 40 5.584 -14.503 4.523 1.00 0.00 C ATOM 488 C ALA A 40 4.954 -13.142 4.250 1.00 0.00 C ATOM 489 O ALA A 40 3.898 -13.051 3.625 1.00 0.00 O ATOM 490 CB ALA A 40 5.614 -15.343 3.255 1.00 0.00 C ATOM 0 H ALA A 40 3.905 -15.452 5.342 1.00 0.00 H new ATOM 0 HA ALA A 40 6.608 -14.337 4.857 1.00 0.00 H new ATOM 0 HB1 ALA A 40 6.152 -14.805 2.475 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.117 -16.289 3.457 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.594 -15.538 2.924 1.00 0.00 H new ATOM 496 N ASP A 41 5.611 -12.087 4.720 1.00 0.00 N ATOM 497 CA ASP A 41 5.118 -10.727 4.527 1.00 0.00 C ATOM 498 C ASP A 41 4.858 -10.443 3.050 1.00 0.00 C ATOM 499 O ASP A 41 5.788 -10.362 2.249 1.00 0.00 O ATOM 500 CB ASP A 41 6.122 -9.717 5.082 1.00 0.00 C ATOM 501 CG ASP A 41 7.517 -9.922 4.525 1.00 0.00 C ATOM 502 OD1 ASP A 41 7.793 -9.424 3.413 1.00 0.00 O ATOM 503 OD2 ASP A 41 8.334 -10.583 5.199 1.00 0.00 O ATOM 0 H ASP A 41 6.488 -12.147 5.238 1.00 0.00 H new ATOM 0 HA ASP A 41 4.176 -10.630 5.067 1.00 0.00 H new ATOM 0 HB2 ASP A 41 5.785 -8.707 4.847 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.152 -9.798 6.169 1.00 0.00 H new ATOM 508 N LEU A 42 3.584 -10.292 2.698 1.00 0.00 N ATOM 509 CA LEU A 42 3.201 -10.017 1.318 1.00 0.00 C ATOM 510 C LEU A 42 3.430 -8.550 0.971 1.00 0.00 C ATOM 511 O LEU A 42 3.785 -8.218 -0.159 1.00 0.00 O ATOM 512 CB LEU A 42 1.732 -10.381 1.093 1.00 0.00 C ATOM 513 CG LEU A 42 1.339 -11.793 1.533 1.00 0.00 C ATOM 514 CD1 LEU A 42 -0.170 -11.904 1.687 1.00 0.00 C ATOM 515 CD2 LEU A 42 1.853 -12.822 0.539 1.00 0.00 C ATOM 0 H LEU A 42 2.801 -10.355 3.349 1.00 0.00 H new ATOM 0 HA LEU A 42 3.825 -10.628 0.666 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.110 -9.664 1.628 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.505 -10.271 0.033 1.00 0.00 H new ATOM 0 HG LEU A 42 1.797 -11.992 2.502 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.430 -12.915 2.000 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.512 -11.192 2.438 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.650 -11.685 0.733 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.565 -13.821 0.867 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.424 -12.625 -0.443 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.940 -12.759 0.479 1.00 0.00 H new ATOM 527 N GLY A 43 3.227 -7.678 1.951 1.00 0.00 N ATOM 528 CA GLY A 43 3.417 -6.256 1.730 1.00 0.00 C ATOM 529 C GLY A 43 2.468 -5.408 2.553 1.00 0.00 C ATOM 530 O GLY A 43 1.841 -5.901 3.494 1.00 0.00 O ATOM 0 H GLY A 43 2.934 -7.930 2.895 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.445 -5.988 1.976 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.274 -6.034 0.673 1.00 0.00 H new ATOM 534 N ILE A 44 2.360 -4.131 2.198 1.00 0.00 N ATOM 535 CA ILE A 44 1.479 -3.211 2.911 1.00 0.00 C ATOM 536 C ILE A 44 0.311 -2.777 2.028 1.00 0.00 C ATOM 537 O ILE A 44 0.391 -2.840 0.802 1.00 0.00 O ATOM 538 CB ILE A 44 2.228 -1.947 3.407 1.00 0.00 C ATOM 539 CG1 ILE A 44 3.740 -2.086 3.211 1.00 0.00 C ATOM 540 CG2 ILE A 44 1.909 -1.681 4.868 1.00 0.00 C ATOM 541 CD1 ILE A 44 4.363 -3.189 4.044 1.00 0.00 C ATOM 0 H ILE A 44 2.871 -3.710 1.422 1.00 0.00 H new ATOM 0 HA ILE A 44 1.105 -3.756 3.778 1.00 0.00 H new ATOM 0 HB ILE A 44 1.887 -1.100 2.811 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.945 -2.278 2.158 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.219 -1.139 3.461 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.443 -0.791 5.201 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.836 -1.526 4.984 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.219 -2.536 5.470 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.435 -3.228 3.853 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.190 -2.988 5.101 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.912 -4.145 3.778 1.00 0.00 H new ATOM 553 N PHE A 45 -0.769 -2.334 2.663 1.00 0.00 N ATOM 554 CA PHE A 45 -1.957 -1.884 1.940 1.00 0.00 C ATOM 555 C PHE A 45 -2.522 -0.621 2.581 1.00 0.00 C ATOM 556 O PHE A 45 -2.555 -0.499 3.805 1.00 0.00 O ATOM 557 CB PHE A 45 -3.032 -2.979 1.923 1.00 0.00 C ATOM 558 CG PHE A 45 -2.483 -4.377 1.981 1.00 0.00 C ATOM 559 CD1 PHE A 45 -1.913 -4.862 3.148 1.00 0.00 C ATOM 560 CD2 PHE A 45 -2.539 -5.205 0.872 1.00 0.00 C ATOM 561 CE1 PHE A 45 -1.407 -6.146 3.207 1.00 0.00 C ATOM 562 CE2 PHE A 45 -2.034 -6.491 0.925 1.00 0.00 C ATOM 563 CZ PHE A 45 -1.468 -6.962 2.094 1.00 0.00 C ATOM 0 H PHE A 45 -0.848 -2.276 3.678 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.664 -1.665 0.913 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.703 -2.828 2.769 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.630 -2.872 1.018 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.864 -4.228 4.021 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.982 -4.842 -0.044 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.964 -6.511 4.122 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.082 -7.127 0.053 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.074 -7.967 2.138 1.00 0.00 H new ATOM 573 N VAL A 46 -2.972 0.316 1.750 1.00 0.00 N ATOM 574 CA VAL A 46 -3.538 1.565 2.251 1.00 0.00 C ATOM 575 C VAL A 46 -4.643 1.289 3.267 1.00 0.00 C ATOM 576 O VAL A 46 -5.749 0.886 2.906 1.00 0.00 O ATOM 577 CB VAL A 46 -4.103 2.431 1.109 1.00 0.00 C ATOM 578 CG1 VAL A 46 -4.584 3.774 1.636 1.00 0.00 C ATOM 579 CG2 VAL A 46 -3.061 2.622 0.014 1.00 0.00 C ATOM 0 H VAL A 46 -2.956 0.235 0.733 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.728 2.112 2.734 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.959 1.911 0.679 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.979 4.368 0.812 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.368 3.615 2.376 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.751 4.303 2.098 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.479 3.236 -0.783 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.183 3.116 0.430 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.774 1.651 -0.389 1.00 0.00 H new ATOM 589 N LYS A 47 -4.327 1.497 4.541 1.00 0.00 N ATOM 590 CA LYS A 47 -5.280 1.263 5.618 1.00 0.00 C ATOM 591 C LYS A 47 -6.232 2.444 5.775 1.00 0.00 C ATOM 592 O LYS A 47 -7.415 2.265 6.066 1.00 0.00 O ATOM 593 CB LYS A 47 -4.531 1.012 6.932 1.00 0.00 C ATOM 594 CG LYS A 47 -5.426 1.005 8.162 1.00 0.00 C ATOM 595 CD LYS A 47 -6.423 -0.142 8.120 1.00 0.00 C ATOM 596 CE LYS A 47 -5.732 -1.489 8.264 1.00 0.00 C ATOM 597 NZ LYS A 47 -6.275 -2.270 9.411 1.00 0.00 N ATOM 0 H LYS A 47 -3.414 1.829 4.853 1.00 0.00 H new ATOM 0 HA LYS A 47 -5.872 0.383 5.366 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.013 0.055 6.866 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.767 1.780 7.055 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.812 0.922 9.059 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.962 1.952 8.229 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -7.153 -0.020 8.920 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.973 -0.113 7.179 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.855 -2.061 7.344 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.662 -1.335 8.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.779 -3.182 9.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.135 -1.736 10.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.291 -2.439 9.266 1.00 0.00 H new ATOM 611 N SER A 48 -5.709 3.649 5.583 1.00 0.00 N ATOM 612 CA SER A 48 -6.518 4.856 5.708 1.00 0.00 C ATOM 613 C SER A 48 -5.851 6.036 5.014 1.00 0.00 C ATOM 614 O SER A 48 -4.725 5.929 4.527 1.00 0.00 O ATOM 615 CB SER A 48 -6.755 5.184 7.184 1.00 0.00 C ATOM 616 OG SER A 48 -7.983 5.868 7.363 1.00 0.00 O ATOM 0 H SER A 48 -4.732 3.817 5.341 1.00 0.00 H new ATOM 0 HA SER A 48 -7.477 4.671 5.224 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.759 4.264 7.768 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.936 5.797 7.560 1.00 0.00 H new ATOM 0 HG SER A 48 -8.112 6.065 8.314 1.00 0.00 H new ATOM 622 N ILE A 49 -6.555 7.160 4.972 1.00 0.00 N ATOM 623 CA ILE A 49 -6.037 8.363 4.336 1.00 0.00 C ATOM 624 C ILE A 49 -6.494 9.614 5.075 1.00 0.00 C ATOM 625 O ILE A 49 -7.492 9.597 5.795 1.00 0.00 O ATOM 626 CB ILE A 49 -6.491 8.455 2.868 1.00 0.00 C ATOM 627 CG1 ILE A 49 -6.243 7.129 2.147 1.00 0.00 C ATOM 628 CG2 ILE A 49 -5.786 9.600 2.156 1.00 0.00 C ATOM 629 CD1 ILE A 49 -6.706 7.124 0.707 1.00 0.00 C ATOM 0 H ILE A 49 -7.488 7.263 5.372 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.949 8.300 4.372 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.562 8.658 2.851 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.177 6.903 2.177 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -6.754 6.331 2.686 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.122 9.646 1.120 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.021 10.539 2.656 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.709 9.436 2.181 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -6.497 6.152 0.261 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -7.778 7.318 0.669 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.177 7.899 0.152 1.00 0.00 H new ATOM 641 N ILE A 50 -5.754 10.697 4.886 1.00 0.00 N ATOM 642 CA ILE A 50 -6.070 11.966 5.523 1.00 0.00 C ATOM 643 C ILE A 50 -6.635 12.942 4.498 1.00 0.00 C ATOM 644 O ILE A 50 -5.883 13.605 3.785 1.00 0.00 O ATOM 645 CB ILE A 50 -4.817 12.590 6.188 1.00 0.00 C ATOM 646 CG1 ILE A 50 -4.385 11.775 7.411 1.00 0.00 C ATOM 647 CG2 ILE A 50 -5.082 14.036 6.591 1.00 0.00 C ATOM 648 CD1 ILE A 50 -3.863 10.394 7.088 1.00 0.00 C ATOM 0 H ILE A 50 -4.925 10.721 4.292 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.813 11.772 6.296 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.009 12.574 5.457 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.612 12.327 7.945 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.234 11.680 8.088 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.189 14.454 7.056 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.337 14.619 5.706 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.910 14.070 7.300 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.580 9.887 8.011 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.640 9.820 6.582 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.992 10.477 6.438 1.00 0.00 H new ATOM 660 N ASN A 51 -7.962 13.019 4.426 1.00 0.00 N ATOM 661 CA ASN A 51 -8.629 13.913 3.481 1.00 0.00 C ATOM 662 C ASN A 51 -8.262 15.368 3.752 1.00 0.00 C ATOM 663 O ASN A 51 -9.068 16.140 4.272 1.00 0.00 O ATOM 664 CB ASN A 51 -10.148 13.736 3.552 1.00 0.00 C ATOM 665 CG ASN A 51 -10.660 13.579 4.972 1.00 0.00 C ATOM 666 OD1 ASN A 51 -11.169 12.523 5.347 1.00 0.00 O ATOM 667 ND2 ASN A 51 -10.526 14.632 5.769 1.00 0.00 N ATOM 0 H ASN A 51 -8.596 12.474 5.010 1.00 0.00 H new ATOM 0 HA ASN A 51 -8.289 13.652 2.479 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.631 14.597 3.091 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.434 12.860 2.969 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -10.851 14.585 6.735 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -10.098 15.488 5.416 1.00 0.00 H new ATOM 674 N GLY A 52 -7.039 15.731 3.394 1.00 0.00 N ATOM 675 CA GLY A 52 -6.567 17.086 3.600 1.00 0.00 C ATOM 676 C GLY A 52 -5.185 17.306 3.015 1.00 0.00 C ATOM 677 O GLY A 52 -4.840 18.422 2.627 1.00 0.00 O ATOM 0 H GLY A 52 -6.360 15.106 2.961 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.268 17.786 3.145 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.547 17.304 4.668 1.00 0.00 H new ATOM 681 N GLY A 53 -4.389 16.239 2.950 1.00 0.00 N ATOM 682 CA GLY A 53 -3.049 16.350 2.408 1.00 0.00 C ATOM 683 C GLY A 53 -2.918 15.714 1.037 1.00 0.00 C ATOM 684 O GLY A 53 -3.914 15.378 0.398 1.00 0.00 O ATOM 0 H GLY A 53 -4.650 15.304 3.263 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.773 17.403 2.344 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.344 15.877 3.092 1.00 0.00 H new ATOM 688 N ALA A 54 -1.679 15.566 0.587 1.00 0.00 N ATOM 689 CA ALA A 54 -1.385 14.983 -0.719 1.00 0.00 C ATOM 690 C ALA A 54 -2.182 13.714 -0.995 1.00 0.00 C ATOM 691 O ALA A 54 -2.855 13.610 -2.017 1.00 0.00 O ATOM 692 CB ALA A 54 0.100 14.695 -0.823 1.00 0.00 C ATOM 0 H ALA A 54 -0.851 15.845 1.113 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.683 15.712 -1.473 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.319 14.260 -1.798 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.660 15.623 -0.706 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.391 13.995 -0.040 1.00 0.00 H new ATOM 698 N ALA A 55 -2.088 12.747 -0.094 1.00 0.00 N ATOM 699 CA ALA A 55 -2.792 11.478 -0.266 1.00 0.00 C ATOM 700 C ALA A 55 -4.270 11.702 -0.571 1.00 0.00 C ATOM 701 O ALA A 55 -4.896 10.912 -1.275 1.00 0.00 O ATOM 702 CB ALA A 55 -2.627 10.609 0.971 1.00 0.00 C ATOM 0 H ALA A 55 -1.535 12.813 0.761 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.351 10.961 -1.118 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.157 9.667 0.828 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.568 10.408 1.136 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -3.037 11.128 1.837 1.00 0.00 H new ATOM 708 N SER A 56 -4.816 12.794 -0.050 1.00 0.00 N ATOM 709 CA SER A 56 -6.214 13.131 -0.277 1.00 0.00 C ATOM 710 C SER A 56 -6.400 13.728 -1.664 1.00 0.00 C ATOM 711 O SER A 56 -7.140 13.198 -2.493 1.00 0.00 O ATOM 712 CB SER A 56 -6.690 14.126 0.772 1.00 0.00 C ATOM 713 OG SER A 56 -8.020 14.544 0.511 1.00 0.00 O ATOM 0 H SER A 56 -4.311 13.461 0.533 1.00 0.00 H new ATOM 0 HA SER A 56 -6.803 12.217 -0.202 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.636 13.671 1.761 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.029 14.992 0.783 1.00 0.00 H new ATOM 0 HG SER A 56 -8.196 15.387 0.978 1.00 0.00 H new ATOM 719 N LYS A 57 -5.719 14.841 -1.902 1.00 0.00 N ATOM 720 CA LYS A 57 -5.796 15.535 -3.184 1.00 0.00 C ATOM 721 C LYS A 57 -5.338 14.640 -4.333 1.00 0.00 C ATOM 722 O LYS A 57 -5.725 14.848 -5.484 1.00 0.00 O ATOM 723 CB LYS A 57 -4.964 16.820 -3.162 1.00 0.00 C ATOM 724 CG LYS A 57 -3.647 16.703 -2.411 1.00 0.00 C ATOM 725 CD LYS A 57 -3.493 17.811 -1.382 1.00 0.00 C ATOM 726 CE LYS A 57 -2.039 18.223 -1.220 1.00 0.00 C ATOM 727 NZ LYS A 57 -1.894 19.688 -0.992 1.00 0.00 N ATOM 0 H LYS A 57 -5.103 15.286 -1.221 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.842 15.794 -3.347 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.757 17.122 -4.189 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -5.557 17.615 -2.709 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.595 15.734 -1.915 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.819 16.744 -3.118 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.085 18.675 -1.684 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.886 17.475 -0.422 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.600 17.681 -0.382 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.480 17.938 -2.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.885 19.930 -0.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.319 20.207 -1.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.376 19.951 -0.109 1.00 0.00 H new ATOM 741 N ASP A 58 -4.511 13.648 -4.020 1.00 0.00 N ATOM 742 CA ASP A 58 -4.001 12.730 -5.032 1.00 0.00 C ATOM 743 C ASP A 58 -5.142 12.024 -5.760 1.00 0.00 C ATOM 744 O ASP A 58 -5.182 11.994 -6.990 1.00 0.00 O ATOM 745 CB ASP A 58 -3.068 11.701 -4.396 1.00 0.00 C ATOM 746 CG ASP A 58 -1.635 11.860 -4.863 1.00 0.00 C ATOM 747 OD1 ASP A 58 -1.252 12.994 -5.221 1.00 0.00 O ATOM 748 OD2 ASP A 58 -0.897 10.853 -4.871 1.00 0.00 O ATOM 0 H ASP A 58 -4.180 13.459 -3.074 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.440 13.314 -5.762 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.108 11.799 -3.311 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.418 10.697 -4.638 1.00 0.00 H new ATOM 753 N GLY A 59 -6.067 11.456 -4.992 1.00 0.00 N ATOM 754 CA GLY A 59 -7.194 10.758 -5.583 1.00 0.00 C ATOM 755 C GLY A 59 -6.771 9.522 -6.355 1.00 0.00 C ATOM 756 O GLY A 59 -7.282 9.255 -7.442 1.00 0.00 O ATOM 0 H GLY A 59 -6.056 11.467 -3.972 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.892 10.470 -4.797 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.727 11.435 -6.251 1.00 0.00 H new ATOM 760 N ARG A 60 -5.831 8.769 -5.790 1.00 0.00 N ATOM 761 CA ARG A 60 -5.335 7.556 -6.430 1.00 0.00 C ATOM 762 C ARG A 60 -5.161 6.442 -5.406 1.00 0.00 C ATOM 763 O ARG A 60 -5.721 5.356 -5.545 1.00 0.00 O ATOM 764 CB ARG A 60 -4.002 7.832 -7.125 1.00 0.00 C ATOM 765 CG ARG A 60 -3.989 9.140 -7.891 1.00 0.00 C ATOM 766 CD ARG A 60 -2.577 9.616 -8.177 1.00 0.00 C ATOM 767 NE ARG A 60 -2.391 10.997 -7.753 1.00 0.00 N ATOM 768 CZ ARG A 60 -1.442 11.801 -8.226 1.00 0.00 C ATOM 769 NH1 ARG A 60 -0.573 11.362 -9.128 1.00 0.00 N ATOM 770 NH2 ARG A 60 -1.358 13.053 -7.794 1.00 0.00 N ATOM 0 H ARG A 60 -5.398 8.978 -4.890 1.00 0.00 H new ATOM 0 HA ARG A 60 -6.066 7.238 -7.173 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.207 7.847 -6.380 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -3.781 7.014 -7.811 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.527 9.015 -8.831 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -4.519 9.901 -7.318 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -1.863 8.975 -7.661 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.370 9.529 -9.244 1.00 0.00 H new ATOM 0 HE ARG A 60 -3.028 11.371 -7.050 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.629 10.401 -9.465 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.151 11.986 -9.485 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.021 13.398 -7.100 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.631 13.670 -8.156 1.00 0.00 H new ATOM 784 N LEU A 61 -4.380 6.733 -4.376 1.00 0.00 N ATOM 785 CA LEU A 61 -4.111 5.780 -3.304 1.00 0.00 C ATOM 786 C LEU A 61 -5.410 5.243 -2.710 1.00 0.00 C ATOM 787 O LEU A 61 -5.958 5.821 -1.770 1.00 0.00 O ATOM 788 CB LEU A 61 -3.283 6.457 -2.209 1.00 0.00 C ATOM 789 CG LEU A 61 -3.645 7.917 -1.948 1.00 0.00 C ATOM 790 CD1 LEU A 61 -3.663 8.202 -0.460 1.00 0.00 C ATOM 791 CD2 LEU A 61 -2.674 8.846 -2.662 1.00 0.00 C ATOM 0 H LEU A 61 -3.915 7.633 -4.258 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.553 4.942 -3.721 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.403 5.896 -1.282 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.229 6.401 -2.482 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.644 8.100 -2.344 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.923 9.247 -0.293 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.401 7.563 0.024 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.678 8.001 -0.039 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.949 9.882 -2.464 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.662 8.663 -2.300 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.714 8.659 -3.735 1.00 0.00 H new ATOM 803 N ARG A 62 -5.898 4.136 -3.257 1.00 0.00 N ATOM 804 CA ARG A 62 -7.131 3.526 -2.775 1.00 0.00 C ATOM 805 C ARG A 62 -6.883 2.744 -1.488 1.00 0.00 C ATOM 806 O ARG A 62 -5.862 2.071 -1.346 1.00 0.00 O ATOM 807 CB ARG A 62 -7.723 2.600 -3.840 1.00 0.00 C ATOM 808 CG ARG A 62 -8.190 3.328 -5.090 1.00 0.00 C ATOM 809 CD ARG A 62 -9.654 3.727 -4.993 1.00 0.00 C ATOM 810 NE ARG A 62 -9.846 4.908 -4.153 1.00 0.00 N ATOM 811 CZ ARG A 62 -10.194 4.862 -2.868 1.00 0.00 C ATOM 812 NH1 ARG A 62 -10.393 3.697 -2.261 1.00 0.00 N ATOM 813 NH2 ARG A 62 -10.337 5.987 -2.183 1.00 0.00 N ATOM 0 H ARG A 62 -5.459 3.643 -4.034 1.00 0.00 H new ATOM 0 HA ARG A 62 -7.842 4.325 -2.565 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.975 1.858 -4.120 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -8.565 2.058 -3.410 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -7.579 4.218 -5.243 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -8.044 2.688 -5.960 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -10.042 3.926 -5.992 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -10.230 2.896 -4.587 1.00 0.00 H new ATOM 0 HE ARG A 62 -9.705 5.825 -4.577 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -10.280 2.826 -2.779 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -10.659 3.674 -1.277 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -10.181 6.886 -2.640 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -10.603 5.955 -1.199 1.00 0.00 H new ATOM 827 N VAL A 63 -7.823 2.841 -0.553 1.00 0.00 N ATOM 828 CA VAL A 63 -7.706 2.145 0.725 1.00 0.00 C ATOM 829 C VAL A 63 -7.806 0.633 0.540 1.00 0.00 C ATOM 830 O VAL A 63 -8.810 0.019 0.899 1.00 0.00 O ATOM 831 CB VAL A 63 -8.791 2.606 1.716 1.00 0.00 C ATOM 832 CG1 VAL A 63 -8.511 2.061 3.108 1.00 0.00 C ATOM 833 CG2 VAL A 63 -8.884 4.125 1.740 1.00 0.00 C ATOM 0 H VAL A 63 -8.674 3.394 -0.656 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.726 2.392 1.132 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.751 2.211 1.383 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.288 2.398 3.794 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.501 0.971 3.077 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.542 2.423 3.452 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -9.656 4.431 2.446 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.925 4.543 2.047 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.137 4.490 0.745 1.00 0.00 H new ATOM 843 N ASN A 64 -6.755 0.040 -0.023 1.00 0.00 N ATOM 844 CA ASN A 64 -6.717 -1.404 -0.260 1.00 0.00 C ATOM 845 C ASN A 64 -5.537 -1.790 -1.151 1.00 0.00 C ATOM 846 O ASN A 64 -5.068 -2.929 -1.114 1.00 0.00 O ATOM 847 CB ASN A 64 -8.024 -1.883 -0.903 1.00 0.00 C ATOM 848 CG ASN A 64 -8.518 -0.939 -1.982 1.00 0.00 C ATOM 849 OD1 ASN A 64 -8.035 -0.965 -3.115 1.00 0.00 O ATOM 850 ND2 ASN A 64 -9.486 -0.100 -1.634 1.00 0.00 N ATOM 0 H ASN A 64 -5.917 0.537 -0.324 1.00 0.00 H new ATOM 0 HA ASN A 64 -6.595 -1.890 0.708 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.873 -2.873 -1.332 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -8.789 -1.983 -0.133 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -9.860 0.559 -2.317 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.856 -0.114 -0.684 1.00 0.00 H new ATOM 857 N ASP A 65 -5.062 -0.841 -1.953 1.00 0.00 N ATOM 858 CA ASP A 65 -3.943 -1.086 -2.855 1.00 0.00 C ATOM 859 C ASP A 65 -2.712 -1.554 -2.087 1.00 0.00 C ATOM 860 O ASP A 65 -2.400 -1.030 -1.018 1.00 0.00 O ATOM 861 CB ASP A 65 -3.614 0.181 -3.646 1.00 0.00 C ATOM 862 CG ASP A 65 -4.670 0.507 -4.682 1.00 0.00 C ATOM 863 OD1 ASP A 65 -5.282 -0.438 -5.225 1.00 0.00 O ATOM 864 OD2 ASP A 65 -4.886 1.708 -4.954 1.00 0.00 O ATOM 0 H ASP A 65 -5.436 0.107 -1.996 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.235 -1.875 -3.548 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.514 1.020 -2.957 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.650 0.057 -4.140 1.00 0.00 H new ATOM 869 N GLN A 66 -2.016 -2.542 -2.641 1.00 0.00 N ATOM 870 CA GLN A 66 -0.818 -3.081 -2.011 1.00 0.00 C ATOM 871 C GLN A 66 0.427 -2.328 -2.468 1.00 0.00 C ATOM 872 O GLN A 66 0.808 -2.390 -3.637 1.00 0.00 O ATOM 873 CB GLN A 66 -0.674 -4.571 -2.333 1.00 0.00 C ATOM 874 CG GLN A 66 0.061 -5.356 -1.259 1.00 0.00 C ATOM 875 CD GLN A 66 1.545 -5.057 -1.232 1.00 0.00 C ATOM 876 OE1 GLN A 66 2.022 -4.300 -0.384 1.00 0.00 O ATOM 877 NE2 GLN A 66 2.285 -5.647 -2.161 1.00 0.00 N ATOM 0 H GLN A 66 -2.262 -2.985 -3.526 1.00 0.00 H new ATOM 0 HA GLN A 66 -0.919 -2.956 -0.933 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.666 -5.002 -2.472 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.143 -4.680 -3.279 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -0.370 -5.124 -0.285 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.088 -6.423 -1.428 1.00 0.00 H new ATOM 0 HE21 GLN A 66 1.848 -6.266 -2.844 1.00 0.00 H new ATOM 0 HE22 GLN A 66 3.291 -5.481 -2.193 1.00 0.00 H new ATOM 886 N LEU A 67 1.059 -1.620 -1.537 1.00 0.00 N ATOM 887 CA LEU A 67 2.262 -0.856 -1.844 1.00 0.00 C ATOM 888 C LEU A 67 3.370 -1.771 -2.353 1.00 0.00 C ATOM 889 O LEU A 67 3.644 -2.816 -1.765 1.00 0.00 O ATOM 890 CB LEU A 67 2.742 -0.097 -0.604 1.00 0.00 C ATOM 891 CG LEU A 67 1.764 0.951 -0.068 1.00 0.00 C ATOM 892 CD1 LEU A 67 2.190 1.420 1.314 1.00 0.00 C ATOM 893 CD2 LEU A 67 1.669 2.127 -1.027 1.00 0.00 C ATOM 0 H LEU A 67 0.758 -1.560 -0.564 1.00 0.00 H new ATOM 0 HA LEU A 67 2.017 -0.139 -2.627 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.948 -0.818 0.187 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.685 0.396 -0.841 1.00 0.00 H new ATOM 0 HG LEU A 67 0.778 0.494 0.015 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.483 2.165 1.679 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.208 0.571 1.997 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.185 1.861 1.258 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.970 2.863 -0.631 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.652 2.584 -1.140 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.317 1.777 -1.998 1.00 0.00 H new ATOM 905 N ILE A 68 4.001 -1.374 -3.453 1.00 0.00 N ATOM 906 CA ILE A 68 5.075 -2.164 -4.044 1.00 0.00 C ATOM 907 C ILE A 68 6.390 -1.390 -4.063 1.00 0.00 C ATOM 908 O ILE A 68 7.462 -1.970 -3.888 1.00 0.00 O ATOM 909 CB ILE A 68 4.731 -2.601 -5.482 1.00 0.00 C ATOM 910 CG1 ILE A 68 3.312 -3.170 -5.543 1.00 0.00 C ATOM 911 CG2 ILE A 68 5.740 -3.623 -5.981 1.00 0.00 C ATOM 912 CD1 ILE A 68 3.076 -4.309 -4.575 1.00 0.00 C ATOM 0 H ILE A 68 3.788 -0.511 -3.953 1.00 0.00 H new ATOM 0 HA ILE A 68 5.188 -3.050 -3.419 1.00 0.00 H new ATOM 0 HB ILE A 68 4.778 -1.727 -6.131 1.00 0.00 H new ATOM 0 HG12 ILE A 68 2.600 -2.372 -5.333 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.112 -3.518 -6.556 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.483 -3.921 -6.997 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.737 -3.184 -5.973 1.00 0.00 H new ATOM 0 HG23 ILE A 68 5.724 -4.498 -5.331 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.050 -4.663 -4.673 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.764 -5.124 -4.798 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.244 -3.961 -3.556 1.00 0.00 H new ATOM 924 N ALA A 69 6.306 -0.081 -4.279 1.00 0.00 N ATOM 925 CA ALA A 69 7.496 0.759 -4.322 1.00 0.00 C ATOM 926 C ALA A 69 7.199 2.173 -3.833 1.00 0.00 C ATOM 927 O ALA A 69 6.041 2.547 -3.646 1.00 0.00 O ATOM 928 CB ALA A 69 8.063 0.797 -5.734 1.00 0.00 C ATOM 0 H ALA A 69 5.429 0.419 -4.426 1.00 0.00 H new ATOM 0 HA ALA A 69 8.237 0.323 -3.652 1.00 0.00 H new ATOM 0 HB1 ALA A 69 8.952 1.428 -5.752 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.328 -0.213 -6.047 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.316 1.203 -6.415 1.00 0.00 H new ATOM 934 N VAL A 70 8.256 2.951 -3.625 1.00 0.00 N ATOM 935 CA VAL A 70 8.116 4.325 -3.157 1.00 0.00 C ATOM 936 C VAL A 70 9.353 5.151 -3.505 1.00 0.00 C ATOM 937 O VAL A 70 10.440 4.910 -2.981 1.00 0.00 O ATOM 938 CB VAL A 70 7.886 4.375 -1.633 1.00 0.00 C ATOM 939 CG1 VAL A 70 9.056 3.748 -0.892 1.00 0.00 C ATOM 940 CG2 VAL A 70 7.656 5.806 -1.170 1.00 0.00 C ATOM 0 H VAL A 70 9.220 2.653 -3.773 1.00 0.00 H new ATOM 0 HA VAL A 70 7.248 4.749 -3.661 1.00 0.00 H new ATOM 0 HB VAL A 70 6.991 3.797 -1.404 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.873 3.794 0.182 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.165 2.707 -1.198 1.00 0.00 H new ATOM 0 HG13 VAL A 70 9.970 4.293 -1.128 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.496 5.818 -0.092 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.528 6.412 -1.414 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.779 6.214 -1.672 1.00 0.00 H new ATOM 950 N ASN A 71 9.178 6.126 -4.393 1.00 0.00 N ATOM 951 CA ASN A 71 10.278 6.987 -4.814 1.00 0.00 C ATOM 952 C ASN A 71 11.431 6.158 -5.374 1.00 0.00 C ATOM 953 O ASN A 71 12.600 6.486 -5.171 1.00 0.00 O ATOM 954 CB ASN A 71 10.772 7.834 -3.641 1.00 0.00 C ATOM 955 CG ASN A 71 9.638 8.507 -2.894 1.00 0.00 C ATOM 956 OD1 ASN A 71 8.870 9.277 -3.470 1.00 0.00 O ATOM 957 ND2 ASN A 71 9.531 8.222 -1.602 1.00 0.00 N ATOM 0 H ASN A 71 8.284 6.339 -4.835 1.00 0.00 H new ATOM 0 HA ASN A 71 9.908 7.647 -5.599 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.333 7.203 -2.952 1.00 0.00 H new ATOM 0 HB3 ASN A 71 11.461 8.594 -4.010 1.00 0.00 H new ATOM 0 HD21 ASN A 71 8.789 8.647 -1.046 1.00 0.00 H new ATOM 0 HD22 ASN A 71 10.190 7.578 -1.166 1.00 0.00 H new ATOM 964 N GLY A 72 11.093 5.083 -6.076 1.00 0.00 N ATOM 965 CA GLY A 72 12.111 4.224 -6.649 1.00 0.00 C ATOM 966 C GLY A 72 12.518 3.099 -5.714 1.00 0.00 C ATOM 967 O GLY A 72 13.171 2.143 -6.133 1.00 0.00 O ATOM 0 H GLY A 72 10.133 4.791 -6.258 1.00 0.00 H new ATOM 0 HA2 GLY A 72 11.740 3.800 -7.582 1.00 0.00 H new ATOM 0 HA3 GLY A 72 12.988 4.821 -6.897 1.00 0.00 H new ATOM 971 N GLU A 73 12.131 3.210 -4.445 1.00 0.00 N ATOM 972 CA GLU A 73 12.460 2.192 -3.456 1.00 0.00 C ATOM 973 C GLU A 73 11.470 1.036 -3.520 1.00 0.00 C ATOM 974 O GLU A 73 10.262 1.233 -3.392 1.00 0.00 O ATOM 975 CB GLU A 73 12.466 2.799 -2.051 1.00 0.00 C ATOM 976 CG GLU A 73 13.582 2.270 -1.165 1.00 0.00 C ATOM 977 CD GLU A 73 14.745 3.238 -1.052 1.00 0.00 C ATOM 978 OE1 GLU A 73 15.369 3.539 -2.090 1.00 0.00 O ATOM 979 OE2 GLU A 73 15.029 3.694 0.075 1.00 0.00 O ATOM 0 H GLU A 73 11.590 3.994 -4.080 1.00 0.00 H new ATOM 0 HA GLU A 73 13.455 1.808 -3.681 1.00 0.00 H new ATOM 0 HB2 GLU A 73 12.560 3.882 -2.132 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.507 2.598 -1.573 1.00 0.00 H new ATOM 0 HG2 GLU A 73 13.186 2.066 -0.170 1.00 0.00 H new ATOM 0 HG3 GLU A 73 13.941 1.322 -1.566 1.00 0.00 H new ATOM 986 N SER A 74 11.989 -0.170 -3.721 1.00 0.00 N ATOM 987 CA SER A 74 11.151 -1.358 -3.805 1.00 0.00 C ATOM 988 C SER A 74 10.748 -1.841 -2.417 1.00 0.00 C ATOM 989 O SER A 74 11.591 -2.000 -1.533 1.00 0.00 O ATOM 990 CB SER A 74 11.883 -2.472 -4.554 1.00 0.00 C ATOM 991 OG SER A 74 12.914 -3.033 -3.758 1.00 0.00 O ATOM 0 H SER A 74 12.987 -0.350 -3.829 1.00 0.00 H new ATOM 0 HA SER A 74 10.246 -1.095 -4.353 1.00 0.00 H new ATOM 0 HB2 SER A 74 11.174 -3.250 -4.837 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.307 -2.076 -5.477 1.00 0.00 H new ATOM 0 HG SER A 74 12.702 -2.904 -2.810 1.00 0.00 H new ATOM 997 N LEU A 75 9.452 -2.073 -2.232 1.00 0.00 N ATOM 998 CA LEU A 75 8.932 -2.539 -0.951 1.00 0.00 C ATOM 999 C LEU A 75 8.763 -4.058 -0.940 1.00 0.00 C ATOM 1000 O LEU A 75 8.595 -4.662 0.119 1.00 0.00 O ATOM 1001 CB LEU A 75 7.589 -1.867 -0.650 1.00 0.00 C ATOM 1002 CG LEU A 75 7.675 -0.446 -0.085 1.00 0.00 C ATOM 1003 CD1 LEU A 75 6.305 0.021 0.383 1.00 0.00 C ATOM 1004 CD2 LEU A 75 8.680 -0.379 1.056 1.00 0.00 C ATOM 0 H LEU A 75 8.742 -1.946 -2.953 1.00 0.00 H new ATOM 0 HA LEU A 75 9.654 -2.269 -0.180 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.002 -1.839 -1.568 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.042 -2.489 0.059 1.00 0.00 H new ATOM 0 HG LEU A 75 8.017 0.219 -0.878 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.382 1.032 0.782 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.612 0.014 -0.458 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.938 -0.649 1.161 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.725 0.639 1.442 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.372 -1.056 1.853 1.00 0.00 H new ATOM 0 HD23 LEU A 75 9.664 -0.672 0.691 1.00 0.00 H new ATOM 1016 N LEU A 76 8.807 -4.671 -2.124 1.00 0.00 N ATOM 1017 CA LEU A 76 8.656 -6.121 -2.246 1.00 0.00 C ATOM 1018 C LEU A 76 9.516 -6.857 -1.222 1.00 0.00 C ATOM 1019 O LEU A 76 9.015 -7.675 -0.451 1.00 0.00 O ATOM 1020 CB LEU A 76 9.027 -6.573 -3.661 1.00 0.00 C ATOM 1021 CG LEU A 76 7.848 -6.719 -4.625 1.00 0.00 C ATOM 1022 CD1 LEU A 76 8.246 -6.281 -6.026 1.00 0.00 C ATOM 1023 CD2 LEU A 76 7.346 -8.154 -4.637 1.00 0.00 C ATOM 0 H LEU A 76 8.946 -4.186 -3.011 1.00 0.00 H new ATOM 0 HA LEU A 76 7.612 -6.366 -2.051 1.00 0.00 H new ATOM 0 HB2 LEU A 76 9.733 -5.857 -4.081 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.544 -7.530 -3.596 1.00 0.00 H new ATOM 0 HG LEU A 76 7.040 -6.074 -4.281 1.00 0.00 H new ATOM 0 HD11 LEU A 76 7.395 -6.392 -6.698 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.559 -5.237 -6.006 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.071 -6.900 -6.380 1.00 0.00 H new ATOM 0 HD21 LEU A 76 6.507 -8.240 -5.328 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.149 -8.818 -4.957 1.00 0.00 H new ATOM 0 HD23 LEU A 76 7.021 -8.434 -3.635 1.00 0.00 H new ATOM 1035 N GLY A 77 10.811 -6.562 -1.223 1.00 0.00 N ATOM 1036 CA GLY A 77 11.718 -7.206 -0.290 1.00 0.00 C ATOM 1037 C GLY A 77 11.489 -6.763 1.143 1.00 0.00 C ATOM 1038 O GLY A 77 11.792 -7.496 2.083 1.00 0.00 O ATOM 0 H GLY A 77 11.249 -5.889 -1.852 1.00 0.00 H new ATOM 0 HA2 GLY A 77 11.595 -8.287 -0.357 1.00 0.00 H new ATOM 0 HA3 GLY A 77 12.746 -6.984 -0.576 1.00 0.00 H new ATOM 1042 N LYS A 78 10.955 -5.556 1.310 1.00 0.00 N ATOM 1043 CA LYS A 78 10.689 -5.015 2.637 1.00 0.00 C ATOM 1044 C LYS A 78 9.427 -5.616 3.236 1.00 0.00 C ATOM 1045 O LYS A 78 8.353 -5.570 2.634 1.00 0.00 O ATOM 1046 CB LYS A 78 10.554 -3.496 2.572 1.00 0.00 C ATOM 1047 CG LYS A 78 11.885 -2.771 2.516 1.00 0.00 C ATOM 1048 CD LYS A 78 11.782 -1.373 3.101 1.00 0.00 C ATOM 1049 CE LYS A 78 12.923 -1.087 4.061 1.00 0.00 C ATOM 1050 NZ LYS A 78 14.073 -0.434 3.376 1.00 0.00 N ATOM 0 H LYS A 78 10.699 -4.935 0.542 1.00 0.00 H new ATOM 0 HA LYS A 78 11.531 -5.277 3.277 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.967 -3.229 1.693 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.998 -3.151 3.444 1.00 0.00 H new ATOM 0 HG2 LYS A 78 12.635 -3.342 3.064 1.00 0.00 H new ATOM 0 HG3 LYS A 78 12.224 -2.710 1.482 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.790 -0.639 2.295 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.831 -1.264 3.622 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.568 -0.445 4.867 1.00 0.00 H new ATOM 0 HE3 LYS A 78 13.255 -2.019 4.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 14.825 -0.240 4.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 14.439 -1.065 2.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.759 0.459 2.946 1.00 0.00 H new ATOM 1064 N ALA A 79 9.565 -6.167 4.433 1.00 0.00 N ATOM 1065 CA ALA A 79 8.444 -6.767 5.133 1.00 0.00 C ATOM 1066 C ALA A 79 7.466 -5.691 5.583 1.00 0.00 C ATOM 1067 O ALA A 79 7.591 -4.528 5.197 1.00 0.00 O ATOM 1068 CB ALA A 79 8.945 -7.573 6.320 1.00 0.00 C ATOM 0 H ALA A 79 10.449 -6.210 4.940 1.00 0.00 H new ATOM 0 HA ALA A 79 7.920 -7.440 4.455 1.00 0.00 H new ATOM 0 HB1 ALA A 79 8.098 -8.020 6.840 1.00 0.00 H new ATOM 0 HB2 ALA A 79 9.612 -8.361 5.970 1.00 0.00 H new ATOM 0 HB3 ALA A 79 9.485 -6.917 7.003 1.00 0.00 H new ATOM 1074 N ASN A 80 6.494 -6.079 6.395 1.00 0.00 N ATOM 1075 CA ASN A 80 5.498 -5.136 6.888 1.00 0.00 C ATOM 1076 C ASN A 80 6.157 -3.961 7.609 1.00 0.00 C ATOM 1077 O ASN A 80 5.936 -2.804 7.255 1.00 0.00 O ATOM 1078 CB ASN A 80 4.517 -5.844 7.828 1.00 0.00 C ATOM 1079 CG ASN A 80 4.041 -7.174 7.275 1.00 0.00 C ATOM 1080 OD1 ASN A 80 3.441 -7.234 6.202 1.00 0.00 O ATOM 1081 ND2 ASN A 80 4.305 -8.248 8.008 1.00 0.00 N ATOM 0 H ASN A 80 6.373 -7.036 6.726 1.00 0.00 H new ATOM 0 HA ASN A 80 4.953 -4.745 6.029 1.00 0.00 H new ATOM 0 HB2 ASN A 80 4.996 -6.006 8.793 1.00 0.00 H new ATOM 0 HB3 ASN A 80 3.657 -5.198 8.004 1.00 0.00 H new ATOM 0 HD21 ASN A 80 4.008 -9.170 7.688 1.00 0.00 H new ATOM 0 HD22 ASN A 80 4.805 -8.152 8.892 1.00 0.00 H new ATOM 1088 N GLN A 81 6.960 -4.262 8.626 1.00 0.00 N ATOM 1089 CA GLN A 81 7.636 -3.219 9.396 1.00 0.00 C ATOM 1090 C GLN A 81 8.688 -2.493 8.560 1.00 0.00 C ATOM 1091 O GLN A 81 8.911 -1.295 8.735 1.00 0.00 O ATOM 1092 CB GLN A 81 8.277 -3.785 10.668 1.00 0.00 C ATOM 1093 CG GLN A 81 8.904 -5.156 10.498 1.00 0.00 C ATOM 1094 CD GLN A 81 10.117 -5.138 9.591 1.00 0.00 C ATOM 1095 OE1 GLN A 81 11.008 -4.302 9.740 1.00 0.00 O ATOM 1096 NE2 GLN A 81 10.156 -6.067 8.644 1.00 0.00 N ATOM 0 H GLN A 81 7.159 -5.213 8.936 1.00 0.00 H new ATOM 0 HA GLN A 81 6.871 -2.498 9.686 1.00 0.00 H new ATOM 0 HB2 GLN A 81 9.042 -3.090 11.015 1.00 0.00 H new ATOM 0 HB3 GLN A 81 7.518 -3.840 11.449 1.00 0.00 H new ATOM 0 HG2 GLN A 81 9.193 -5.542 11.476 1.00 0.00 H new ATOM 0 HG3 GLN A 81 8.161 -5.842 10.091 1.00 0.00 H new ATOM 0 HE21 GLN A 81 9.394 -6.740 8.558 1.00 0.00 H new ATOM 0 HE22 GLN A 81 10.948 -6.108 8.002 1.00 0.00 H new ATOM 1105 N GLU A 82 9.334 -3.218 7.653 1.00 0.00 N ATOM 1106 CA GLU A 82 10.360 -2.632 6.797 1.00 0.00 C ATOM 1107 C GLU A 82 9.748 -1.624 5.840 1.00 0.00 C ATOM 1108 O GLU A 82 10.181 -0.474 5.762 1.00 0.00 O ATOM 1109 CB GLU A 82 11.064 -3.726 5.999 1.00 0.00 C ATOM 1110 CG GLU A 82 12.375 -4.159 6.610 1.00 0.00 C ATOM 1111 CD GLU A 82 13.142 -5.126 5.730 1.00 0.00 C ATOM 1112 OE1 GLU A 82 12.514 -6.060 5.188 1.00 0.00 O ATOM 1113 OE2 GLU A 82 14.369 -4.948 5.581 1.00 0.00 O ATOM 0 H GLU A 82 9.166 -4.211 7.491 1.00 0.00 H new ATOM 0 HA GLU A 82 11.084 -2.122 7.433 1.00 0.00 H new ATOM 0 HB2 GLU A 82 10.405 -4.590 5.920 1.00 0.00 H new ATOM 0 HB3 GLU A 82 11.244 -3.368 4.985 1.00 0.00 H new ATOM 0 HG2 GLU A 82 12.991 -3.280 6.798 1.00 0.00 H new ATOM 0 HG3 GLU A 82 12.184 -4.627 7.576 1.00 0.00 H new ATOM 1120 N ALA A 83 8.735 -2.068 5.118 1.00 0.00 N ATOM 1121 CA ALA A 83 8.051 -1.213 4.165 1.00 0.00 C ATOM 1122 C ALA A 83 7.404 -0.045 4.888 1.00 0.00 C ATOM 1123 O ALA A 83 7.323 1.065 4.359 1.00 0.00 O ATOM 1124 CB ALA A 83 7.016 -2.007 3.386 1.00 0.00 C ATOM 0 H ALA A 83 8.367 -3.018 5.174 1.00 0.00 H new ATOM 0 HA ALA A 83 8.779 -0.821 3.455 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.513 -1.351 2.676 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.509 -2.816 2.846 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.283 -2.425 4.076 1.00 0.00 H new ATOM 1130 N MET A 84 6.958 -0.302 6.111 1.00 0.00 N ATOM 1131 CA MET A 84 6.330 0.726 6.923 1.00 0.00 C ATOM 1132 C MET A 84 7.355 1.774 7.332 1.00 0.00 C ATOM 1133 O MET A 84 7.026 2.948 7.504 1.00 0.00 O ATOM 1134 CB MET A 84 5.684 0.113 8.160 1.00 0.00 C ATOM 1135 CG MET A 84 4.182 -0.010 8.026 1.00 0.00 C ATOM 1136 SD MET A 84 3.473 -1.172 9.199 1.00 0.00 S ATOM 1137 CE MET A 84 3.375 -2.622 8.162 1.00 0.00 C ATOM 0 H MET A 84 7.021 -1.215 6.561 1.00 0.00 H new ATOM 0 HA MET A 84 5.553 1.206 6.329 1.00 0.00 H new ATOM 0 HB2 MET A 84 6.112 -0.873 8.339 1.00 0.00 H new ATOM 0 HB3 MET A 84 5.919 0.725 9.031 1.00 0.00 H new ATOM 0 HG2 MET A 84 3.727 0.970 8.172 1.00 0.00 H new ATOM 0 HG3 MET A 84 3.937 -0.328 7.013 1.00 0.00 H new ATOM 0 HE1 MET A 84 2.330 -2.850 7.954 1.00 0.00 H new ATOM 0 HE2 MET A 84 3.900 -2.435 7.225 1.00 0.00 H new ATOM 0 HE3 MET A 84 3.836 -3.467 8.674 1.00 0.00 H new ATOM 1147 N GLU A 85 8.603 1.340 7.478 1.00 0.00 N ATOM 1148 CA GLU A 85 9.683 2.238 7.856 1.00 0.00 C ATOM 1149 C GLU A 85 10.161 3.009 6.636 1.00 0.00 C ATOM 1150 O GLU A 85 10.408 4.210 6.707 1.00 0.00 O ATOM 1151 CB GLU A 85 10.832 1.445 8.507 1.00 0.00 C ATOM 1152 CG GLU A 85 12.051 1.241 7.617 1.00 0.00 C ATOM 1153 CD GLU A 85 13.177 0.518 8.329 1.00 0.00 C ATOM 1154 OE1 GLU A 85 12.892 -0.221 9.294 1.00 0.00 O ATOM 1155 OE2 GLU A 85 14.346 0.691 7.922 1.00 0.00 O ATOM 0 H GLU A 85 8.889 0.371 7.340 1.00 0.00 H new ATOM 0 HA GLU A 85 9.318 2.956 8.591 1.00 0.00 H new ATOM 0 HB2 GLU A 85 11.144 1.963 9.414 1.00 0.00 H new ATOM 0 HB3 GLU A 85 10.454 0.469 8.811 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.760 0.673 6.733 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.409 2.210 7.269 1.00 0.00 H new ATOM 1162 N THR A 86 10.259 2.313 5.509 1.00 0.00 N ATOM 1163 CA THR A 86 10.673 2.947 4.267 1.00 0.00 C ATOM 1164 C THR A 86 9.654 4.017 3.898 1.00 0.00 C ATOM 1165 O THR A 86 10.005 5.085 3.398 1.00 0.00 O ATOM 1166 CB THR A 86 10.806 1.907 3.148 1.00 0.00 C ATOM 1167 OG1 THR A 86 12.105 1.343 3.150 1.00 0.00 O ATOM 1168 CG2 THR A 86 10.555 2.461 1.760 1.00 0.00 C ATOM 0 H THR A 86 10.058 1.316 5.431 1.00 0.00 H new ATOM 0 HA THR A 86 11.650 3.411 4.400 1.00 0.00 H new ATOM 0 HB THR A 86 10.039 1.162 3.361 1.00 0.00 H new ATOM 0 HG1 THR A 86 12.728 1.954 2.704 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.668 1.665 1.024 1.00 0.00 H new ATOM 0 HG22 THR A 86 9.544 2.864 1.706 1.00 0.00 H new ATOM 0 HG23 THR A 86 11.273 3.254 1.549 1.00 0.00 H new ATOM 1176 N LEU A 87 8.388 3.727 4.186 1.00 0.00 N ATOM 1177 CA LEU A 87 7.313 4.668 3.926 1.00 0.00 C ATOM 1178 C LEU A 87 7.452 5.836 4.883 1.00 0.00 C ATOM 1179 O LEU A 87 7.562 6.987 4.465 1.00 0.00 O ATOM 1180 CB LEU A 87 5.949 3.995 4.100 1.00 0.00 C ATOM 1181 CG LEU A 87 5.573 3.000 3.001 1.00 0.00 C ATOM 1182 CD1 LEU A 87 4.472 2.067 3.480 1.00 0.00 C ATOM 1183 CD2 LEU A 87 5.143 3.736 1.742 1.00 0.00 C ATOM 0 H LEU A 87 8.086 2.845 4.600 1.00 0.00 H new ATOM 0 HA LEU A 87 7.379 5.021 2.897 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.937 3.476 5.058 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.182 4.769 4.146 1.00 0.00 H new ATOM 0 HG LEU A 87 6.451 2.399 2.764 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.218 1.366 2.685 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.818 1.515 4.354 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.590 2.651 3.745 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.879 3.013 0.970 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.279 4.362 1.964 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.963 4.361 1.388 1.00 0.00 H new ATOM 1195 N ARG A 88 7.490 5.524 6.178 1.00 0.00 N ATOM 1196 CA ARG A 88 7.663 6.542 7.201 1.00 0.00 C ATOM 1197 C ARG A 88 8.928 7.343 6.902 1.00 0.00 C ATOM 1198 O ARG A 88 9.020 8.530 7.214 1.00 0.00 O ATOM 1199 CB ARG A 88 7.731 5.898 8.597 1.00 0.00 C ATOM 1200 CG ARG A 88 9.134 5.790 9.179 1.00 0.00 C ATOM 1201 CD ARG A 88 9.180 4.816 10.346 1.00 0.00 C ATOM 1202 NE ARG A 88 10.537 4.345 10.613 1.00 0.00 N ATOM 1203 CZ ARG A 88 10.826 3.354 11.453 1.00 0.00 C ATOM 1204 NH1 ARG A 88 9.858 2.727 12.109 1.00 0.00 N ATOM 1205 NH2 ARG A 88 12.088 2.989 11.639 1.00 0.00 N ATOM 0 H ARG A 88 7.403 4.574 6.538 1.00 0.00 H new ATOM 0 HA ARG A 88 6.807 7.217 7.192 1.00 0.00 H new ATOM 0 HB2 ARG A 88 7.112 6.479 9.281 1.00 0.00 H new ATOM 0 HB3 ARG A 88 7.296 4.900 8.544 1.00 0.00 H new ATOM 0 HG2 ARG A 88 9.827 5.463 8.403 1.00 0.00 H new ATOM 0 HG3 ARG A 88 9.468 6.773 9.511 1.00 0.00 H new ATOM 0 HD2 ARG A 88 8.782 5.300 11.238 1.00 0.00 H new ATOM 0 HD3 ARG A 88 8.536 3.963 10.132 1.00 0.00 H new ATOM 0 HE ARG A 88 11.308 4.803 10.127 1.00 0.00 H new ATOM 0 HH11 ARG A 88 8.886 3.004 11.971 1.00 0.00 H new ATOM 0 HH12 ARG A 88 10.086 1.968 12.751 1.00 0.00 H new ATOM 0 HH21 ARG A 88 12.837 3.468 11.138 1.00 0.00 H new ATOM 0 HH22 ARG A 88 12.310 2.230 12.283 1.00 0.00 H new ATOM 1219 N ARG A 89 9.889 6.672 6.268 1.00 0.00 N ATOM 1220 CA ARG A 89 11.144 7.302 5.892 1.00 0.00 C ATOM 1221 C ARG A 89 10.906 8.291 4.765 1.00 0.00 C ATOM 1222 O ARG A 89 11.438 9.401 4.771 1.00 0.00 O ATOM 1223 CB ARG A 89 12.155 6.246 5.442 1.00 0.00 C ATOM 1224 CG ARG A 89 13.254 6.002 6.453 1.00 0.00 C ATOM 1225 CD ARG A 89 14.344 5.107 5.888 1.00 0.00 C ATOM 1226 NE ARG A 89 15.539 5.100 6.730 1.00 0.00 N ATOM 1227 CZ ARG A 89 15.604 4.506 7.918 1.00 0.00 C ATOM 1228 NH1 ARG A 89 14.549 3.866 8.409 1.00 0.00 N ATOM 1229 NH2 ARG A 89 16.728 4.549 8.621 1.00 0.00 N ATOM 0 H ARG A 89 9.817 5.689 6.005 1.00 0.00 H new ATOM 0 HA ARG A 89 11.544 7.828 6.759 1.00 0.00 H new ATOM 0 HB2 ARG A 89 11.631 5.309 5.251 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.602 6.559 4.498 1.00 0.00 H new ATOM 0 HG2 ARG A 89 13.686 6.955 6.758 1.00 0.00 H new ATOM 0 HG3 ARG A 89 12.832 5.543 7.347 1.00 0.00 H new ATOM 0 HD2 ARG A 89 13.964 4.090 5.790 1.00 0.00 H new ATOM 0 HD3 ARG A 89 14.608 5.446 4.886 1.00 0.00 H new ATOM 0 HE ARG A 89 16.372 5.579 6.386 1.00 0.00 H new ATOM 0 HH11 ARG A 89 13.681 3.828 7.874 1.00 0.00 H new ATOM 0 HH12 ARG A 89 14.606 3.413 9.321 1.00 0.00 H new ATOM 0 HH21 ARG A 89 17.543 5.038 8.250 1.00 0.00 H new ATOM 0 HH22 ARG A 89 16.777 4.093 9.532 1.00 0.00 H new ATOM 1243 N SER A 90 10.098 7.875 3.799 1.00 0.00 N ATOM 1244 CA SER A 90 9.782 8.718 2.663 1.00 0.00 C ATOM 1245 C SER A 90 8.956 9.919 3.106 1.00 0.00 C ATOM 1246 O SER A 90 9.216 11.052 2.701 1.00 0.00 O ATOM 1247 CB SER A 90 9.029 7.922 1.595 1.00 0.00 C ATOM 1248 OG SER A 90 9.898 7.041 0.907 1.00 0.00 O ATOM 0 H SER A 90 9.651 6.958 3.783 1.00 0.00 H new ATOM 0 HA SER A 90 10.717 9.077 2.232 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.224 7.353 2.061 1.00 0.00 H new ATOM 0 HB3 SER A 90 8.565 8.608 0.886 1.00 0.00 H new ATOM 0 HG SER A 90 10.105 6.273 1.479 1.00 0.00 H new ATOM 1254 N MET A 91 7.966 9.658 3.951 1.00 0.00 N ATOM 1255 CA MET A 91 7.102 10.711 4.468 1.00 0.00 C ATOM 1256 C MET A 91 7.852 11.576 5.479 1.00 0.00 C ATOM 1257 O MET A 91 7.428 12.687 5.795 1.00 0.00 O ATOM 1258 CB MET A 91 5.859 10.107 5.133 1.00 0.00 C ATOM 1259 CG MET A 91 5.221 8.957 4.364 1.00 0.00 C ATOM 1260 SD MET A 91 5.323 9.145 2.572 1.00 0.00 S ATOM 1261 CE MET A 91 5.321 7.430 2.055 1.00 0.00 C ATOM 0 H MET A 91 7.742 8.724 4.293 1.00 0.00 H new ATOM 0 HA MET A 91 6.792 11.334 3.629 1.00 0.00 H new ATOM 0 HB2 MET A 91 6.131 9.754 6.128 1.00 0.00 H new ATOM 0 HB3 MET A 91 5.116 10.894 5.266 1.00 0.00 H new ATOM 0 HG2 MET A 91 5.706 8.024 4.652 1.00 0.00 H new ATOM 0 HG3 MET A 91 4.173 8.874 4.654 1.00 0.00 H new ATOM 0 HE1 MET A 91 6.213 7.228 1.463 1.00 0.00 H new ATOM 0 HE2 MET A 91 5.315 6.785 2.934 1.00 0.00 H new ATOM 0 HE3 MET A 91 4.434 7.232 1.454 1.00 0.00 H new ATOM 1271 N SER A 92 8.964 11.051 5.990 1.00 0.00 N ATOM 1272 CA SER A 92 9.765 11.768 6.976 1.00 0.00 C ATOM 1273 C SER A 92 10.780 12.697 6.316 1.00 0.00 C ATOM 1274 O SER A 92 10.831 13.888 6.623 1.00 0.00 O ATOM 1275 CB SER A 92 10.488 10.777 7.889 1.00 0.00 C ATOM 1276 OG SER A 92 9.649 10.354 8.951 1.00 0.00 O ATOM 0 H SER A 92 9.329 10.133 5.737 1.00 0.00 H new ATOM 0 HA SER A 92 9.085 12.381 7.567 1.00 0.00 H new ATOM 0 HB2 SER A 92 10.810 9.912 7.309 1.00 0.00 H new ATOM 0 HB3 SER A 92 11.387 11.241 8.295 1.00 0.00 H new ATOM 0 HG SER A 92 9.158 9.551 8.680 1.00 0.00 H new ATOM 1282 N THR A 93 11.594 12.147 5.424 1.00 0.00 N ATOM 1283 CA THR A 93 12.617 12.936 4.743 1.00 0.00 C ATOM 1284 C THR A 93 13.357 12.110 3.693 1.00 0.00 C ATOM 1285 O THR A 93 14.536 11.798 3.855 1.00 0.00 O ATOM 1286 CB THR A 93 13.614 13.472 5.765 1.00 0.00 C ATOM 1287 OG1 THR A 93 14.594 14.282 5.140 1.00 0.00 O ATOM 1288 CG2 THR A 93 14.334 12.370 6.512 1.00 0.00 C ATOM 0 H THR A 93 11.568 11.163 5.155 1.00 0.00 H new ATOM 0 HA THR A 93 12.121 13.763 4.234 1.00 0.00 H new ATOM 0 HB THR A 93 13.025 14.054 6.473 1.00 0.00 H new ATOM 0 HG1 THR A 93 15.114 13.740 4.511 1.00 0.00 H new ATOM 0 HG21 THR A 93 15.031 12.809 7.226 1.00 0.00 H new ATOM 0 HG22 THR A 93 13.607 11.757 7.045 1.00 0.00 H new ATOM 0 HG23 THR A 93 14.883 11.749 5.804 1.00 0.00 H new ATOM 1296 N GLU A 94 12.660 11.772 2.615 1.00 0.00 N ATOM 1297 CA GLU A 94 13.239 10.994 1.527 1.00 0.00 C ATOM 1298 C GLU A 94 12.301 11.022 0.337 1.00 0.00 C ATOM 1299 O GLU A 94 12.718 11.227 -0.801 1.00 0.00 O ATOM 1300 CB GLU A 94 13.486 9.548 1.960 1.00 0.00 C ATOM 1301 CG GLU A 94 14.679 9.386 2.880 1.00 0.00 C ATOM 1302 CD GLU A 94 15.329 8.021 2.763 1.00 0.00 C ATOM 1303 OE1 GLU A 94 15.470 7.527 1.625 1.00 0.00 O ATOM 1304 OE2 GLU A 94 15.695 7.446 3.809 1.00 0.00 O ATOM 0 H GLU A 94 11.683 12.028 2.471 1.00 0.00 H new ATOM 0 HA GLU A 94 14.197 11.435 1.253 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.596 9.171 2.463 1.00 0.00 H new ATOM 0 HB3 GLU A 94 13.635 8.932 1.073 1.00 0.00 H new ATOM 0 HG2 GLU A 94 15.416 10.155 2.651 1.00 0.00 H new ATOM 0 HG3 GLU A 94 14.362 9.545 3.911 1.00 0.00 H new ATOM 1311 N GLY A 95 11.020 10.848 0.625 1.00 0.00 N ATOM 1312 CA GLY A 95 10.018 10.894 -0.411 1.00 0.00 C ATOM 1313 C GLY A 95 9.610 12.321 -0.684 1.00 0.00 C ATOM 1314 O GLY A 95 9.252 12.673 -1.805 1.00 0.00 O ATOM 0 H GLY A 95 10.659 10.675 1.563 1.00 0.00 H new ATOM 0 HA2 GLY A 95 10.407 10.439 -1.322 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.147 10.311 -0.110 1.00 0.00 H new ATOM 1318 N ASN A 96 9.694 13.149 0.354 1.00 0.00 N ATOM 1319 CA ASN A 96 9.358 14.559 0.239 1.00 0.00 C ATOM 1320 C ASN A 96 10.548 15.321 -0.345 1.00 0.00 C ATOM 1321 O ASN A 96 10.745 15.325 -1.558 1.00 0.00 O ATOM 1322 CB ASN A 96 8.957 15.120 1.611 1.00 0.00 C ATOM 1323 CG ASN A 96 8.786 16.629 1.602 1.00 0.00 C ATOM 1324 OD1 ASN A 96 8.222 17.153 0.520 1.00 0.00 O flip ATOM 1325 ND2 ASN A 96 9.157 17.313 2.554 1.00 0.00 N flip ATOM 0 H ASN A 96 9.993 12.863 1.286 1.00 0.00 H new ATOM 0 HA ASN A 96 8.508 14.679 -0.432 1.00 0.00 H new ATOM 0 HB2 ASN A 96 8.024 14.655 1.930 1.00 0.00 H new ATOM 0 HB3 ASN A 96 9.716 14.849 2.345 1.00 0.00 H new ATOM 0 HD21 ASN A 96 9.586 16.868 3.365 1.00 0.00 H new ATOM 0 HD22 ASN A 96 9.036 18.326 2.532 1.00 0.00 H new ATOM 1332 N LYS A 97 11.348 15.948 0.521 1.00 0.00 N ATOM 1333 CA LYS A 97 12.534 16.693 0.094 1.00 0.00 C ATOM 1334 C LYS A 97 12.272 17.573 -1.136 1.00 0.00 C ATOM 1335 O LYS A 97 13.213 18.009 -1.801 1.00 0.00 O ATOM 1336 CB LYS A 97 13.671 15.715 -0.202 1.00 0.00 C ATOM 1337 CG LYS A 97 13.406 14.843 -1.413 1.00 0.00 C ATOM 1338 CD LYS A 97 14.614 14.003 -1.780 1.00 0.00 C ATOM 1339 CE LYS A 97 14.249 12.968 -2.825 1.00 0.00 C ATOM 1340 NZ LYS A 97 15.369 12.023 -3.092 1.00 0.00 N ATOM 0 H LYS A 97 11.194 15.954 1.529 1.00 0.00 H new ATOM 0 HA LYS A 97 12.809 17.361 0.910 1.00 0.00 H new ATOM 0 HB2 LYS A 97 14.592 16.276 -0.360 1.00 0.00 H new ATOM 0 HB3 LYS A 97 13.831 15.079 0.668 1.00 0.00 H new ATOM 0 HG2 LYS A 97 12.557 14.190 -1.211 1.00 0.00 H new ATOM 0 HG3 LYS A 97 13.130 15.472 -2.260 1.00 0.00 H new ATOM 0 HD2 LYS A 97 15.408 14.646 -2.159 1.00 0.00 H new ATOM 0 HD3 LYS A 97 15.003 13.507 -0.890 1.00 0.00 H new ATOM 0 HE2 LYS A 97 13.375 12.409 -2.491 1.00 0.00 H new ATOM 0 HE3 LYS A 97 13.971 13.471 -3.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 15.076 11.332 -3.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 16.196 12.553 -3.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 15.618 11.523 -2.215 1.00 0.00 H new ATOM 1354 N ARG A 98 11.002 17.831 -1.444 1.00 0.00 N ATOM 1355 CA ARG A 98 10.650 18.652 -2.592 1.00 0.00 C ATOM 1356 C ARG A 98 9.183 19.077 -2.547 1.00 0.00 C ATOM 1357 O ARG A 98 8.831 20.175 -2.976 1.00 0.00 O ATOM 1358 CB ARG A 98 10.944 17.893 -3.886 1.00 0.00 C ATOM 1359 CG ARG A 98 10.040 16.693 -4.121 1.00 0.00 C ATOM 1360 CD ARG A 98 10.838 15.408 -4.276 1.00 0.00 C ATOM 1361 NE ARG A 98 11.449 15.298 -5.600 1.00 0.00 N ATOM 1362 CZ ARG A 98 10.806 14.856 -6.679 1.00 0.00 C ATOM 1363 NH1 ARG A 98 9.535 14.485 -6.598 1.00 0.00 N ATOM 1364 NH2 ARG A 98 11.438 14.786 -7.843 1.00 0.00 N ATOM 0 H ARG A 98 10.204 17.482 -0.913 1.00 0.00 H new ATOM 0 HA ARG A 98 11.258 19.556 -2.560 1.00 0.00 H new ATOM 0 HB2 ARG A 98 10.845 18.579 -4.727 1.00 0.00 H new ATOM 0 HB3 ARG A 98 11.980 17.556 -3.869 1.00 0.00 H new ATOM 0 HG2 ARG A 98 9.346 16.592 -3.287 1.00 0.00 H new ATOM 0 HG3 ARG A 98 9.440 16.859 -5.016 1.00 0.00 H new ATOM 0 HD2 ARG A 98 11.616 15.370 -3.514 1.00 0.00 H new ATOM 0 HD3 ARG A 98 10.184 14.553 -4.106 1.00 0.00 H new ATOM 0 HE ARG A 98 12.425 15.576 -5.703 1.00 0.00 H new ATOM 0 HH11 ARG A 98 9.044 14.537 -5.705 1.00 0.00 H new ATOM 0 HH12 ARG A 98 9.048 14.147 -7.428 1.00 0.00 H new ATOM 0 HH21 ARG A 98 12.415 15.071 -7.911 1.00 0.00 H new ATOM 0 HH22 ARG A 98 10.947 14.448 -8.670 1.00 0.00 H new ATOM 1378 N GLY A 99 8.333 18.200 -2.025 1.00 0.00 N ATOM 1379 CA GLY A 99 6.917 18.500 -1.932 1.00 0.00 C ATOM 1380 C GLY A 99 6.054 17.432 -2.578 1.00 0.00 C ATOM 1381 O GLY A 99 4.884 17.669 -2.873 1.00 0.00 O ATOM 0 H GLY A 99 8.600 17.284 -1.664 1.00 0.00 H new ATOM 0 HA2 GLY A 99 6.639 18.602 -0.883 1.00 0.00 H new ATOM 0 HA3 GLY A 99 6.720 19.460 -2.409 1.00 0.00 H new ATOM 1385 N MET A 100 6.636 16.255 -2.802 1.00 0.00 N ATOM 1386 CA MET A 100 5.919 15.152 -3.420 1.00 0.00 C ATOM 1387 C MET A 100 6.749 13.872 -3.399 1.00 0.00 C ATOM 1388 O MET A 100 7.977 13.922 -3.348 1.00 0.00 O ATOM 1389 CB MET A 100 5.552 15.516 -4.855 1.00 0.00 C ATOM 1390 CG MET A 100 6.714 15.413 -5.829 1.00 0.00 C ATOM 1391 SD MET A 100 6.225 15.762 -7.527 1.00 0.00 S ATOM 1392 CE MET A 100 4.723 14.796 -7.636 1.00 0.00 C ATOM 0 H MET A 100 7.605 16.045 -2.562 1.00 0.00 H new ATOM 0 HA MET A 100 5.010 14.971 -2.847 1.00 0.00 H new ATOM 0 HB2 MET A 100 4.748 14.861 -5.192 1.00 0.00 H new ATOM 0 HB3 MET A 100 5.163 16.534 -4.874 1.00 0.00 H new ATOM 0 HG2 MET A 100 7.497 16.109 -5.530 1.00 0.00 H new ATOM 0 HG3 MET A 100 7.141 14.411 -5.776 1.00 0.00 H new ATOM 0 HE1 MET A 100 4.544 14.518 -8.675 1.00 0.00 H new ATOM 0 HE2 MET A 100 4.825 13.895 -7.032 1.00 0.00 H new ATOM 0 HE3 MET A 100 3.884 15.386 -7.268 1.00 0.00 H new ATOM 1402 N ILE A 101 6.070 12.728 -3.442 1.00 0.00 N ATOM 1403 CA ILE A 101 6.747 11.435 -3.426 1.00 0.00 C ATOM 1404 C ILE A 101 6.008 10.413 -4.288 1.00 0.00 C ATOM 1405 O ILE A 101 4.778 10.406 -4.346 1.00 0.00 O ATOM 1406 CB ILE A 101 6.911 10.897 -1.975 1.00 0.00 C ATOM 1407 CG1 ILE A 101 6.346 9.480 -1.819 1.00 0.00 C ATOM 1408 CG2 ILE A 101 6.252 11.834 -0.976 1.00 0.00 C ATOM 1409 CD1 ILE A 101 6.434 8.956 -0.403 1.00 0.00 C ATOM 0 H ILE A 101 5.053 12.671 -3.488 1.00 0.00 H new ATOM 0 HA ILE A 101 7.741 11.587 -3.847 1.00 0.00 H new ATOM 0 HB ILE A 101 7.981 10.852 -1.771 1.00 0.00 H new ATOM 0 HG12 ILE A 101 5.304 9.474 -2.137 1.00 0.00 H new ATOM 0 HG13 ILE A 101 6.886 8.805 -2.483 1.00 0.00 H new ATOM 0 HG21 ILE A 101 6.379 11.439 0.032 1.00 0.00 H new ATOM 0 HG22 ILE A 101 6.715 12.819 -1.040 1.00 0.00 H new ATOM 0 HG23 ILE A 101 5.189 11.918 -1.202 1.00 0.00 H new ATOM 0 HD11 ILE A 101 6.018 7.950 -0.361 1.00 0.00 H new ATOM 0 HD12 ILE A 101 7.477 8.930 -0.089 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.870 9.610 0.263 1.00 0.00 H new ATOM 1421 N GLN A 102 6.771 9.547 -4.949 1.00 0.00 N ATOM 1422 CA GLN A 102 6.196 8.515 -5.801 1.00 0.00 C ATOM 1423 C GLN A 102 5.823 7.291 -4.974 1.00 0.00 C ATOM 1424 O GLN A 102 6.467 6.994 -3.968 1.00 0.00 O ATOM 1425 CB GLN A 102 7.183 8.120 -6.900 1.00 0.00 C ATOM 1426 CG GLN A 102 7.086 8.985 -8.147 1.00 0.00 C ATOM 1427 CD GLN A 102 7.260 8.187 -9.423 1.00 0.00 C ATOM 1428 OE1 GLN A 102 7.890 7.129 -9.428 1.00 0.00 O ATOM 1429 NE2 GLN A 102 6.701 8.692 -10.517 1.00 0.00 N ATOM 0 H GLN A 102 7.790 9.541 -4.910 1.00 0.00 H new ATOM 0 HA GLN A 102 5.294 8.915 -6.265 1.00 0.00 H new ATOM 0 HB2 GLN A 102 8.197 8.180 -6.505 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.010 7.080 -7.175 1.00 0.00 H new ATOM 0 HG2 GLN A 102 6.117 9.484 -8.164 1.00 0.00 H new ATOM 0 HG3 GLN A 102 7.846 9.765 -8.104 1.00 0.00 H new ATOM 0 HE21 GLN A 102 6.188 9.572 -10.468 1.00 0.00 H new ATOM 0 HE22 GLN A 102 6.785 8.200 -11.406 1.00 0.00 H new ATOM 1438 N LEU A 103 4.779 6.586 -5.394 1.00 0.00 N ATOM 1439 CA LEU A 103 4.330 5.400 -4.679 1.00 0.00 C ATOM 1440 C LEU A 103 3.743 4.367 -5.634 1.00 0.00 C ATOM 1441 O LEU A 103 2.741 4.624 -6.304 1.00 0.00 O ATOM 1442 CB LEU A 103 3.296 5.782 -3.618 1.00 0.00 C ATOM 1443 CG LEU A 103 3.792 5.706 -2.172 1.00 0.00 C ATOM 1444 CD1 LEU A 103 4.320 7.057 -1.718 1.00 0.00 C ATOM 1445 CD2 LEU A 103 2.679 5.228 -1.251 1.00 0.00 C ATOM 0 H LEU A 103 4.230 6.815 -6.223 1.00 0.00 H new ATOM 0 HA LEU A 103 5.197 4.955 -4.190 1.00 0.00 H new ATOM 0 HB2 LEU A 103 2.954 6.798 -3.816 1.00 0.00 H new ATOM 0 HB3 LEU A 103 2.431 5.128 -3.724 1.00 0.00 H new ATOM 0 HG LEU A 103 4.609 4.986 -2.125 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.668 6.984 -0.688 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.147 7.359 -2.360 1.00 0.00 H new ATOM 0 HD13 LEU A 103 3.523 7.798 -1.780 1.00 0.00 H new ATOM 0 HD21 LEU A 103 3.050 5.180 -0.227 1.00 0.00 H new ATOM 0 HD22 LEU A 103 1.841 5.923 -1.301 1.00 0.00 H new ATOM 0 HD23 LEU A 103 2.348 4.238 -1.564 1.00 0.00 H new ATOM 1457 N ILE A 104 4.368 3.195 -5.684 1.00 0.00 N ATOM 1458 CA ILE A 104 3.903 2.116 -6.544 1.00 0.00 C ATOM 1459 C ILE A 104 3.027 1.151 -5.759 1.00 0.00 C ATOM 1460 O ILE A 104 3.282 0.877 -4.587 1.00 0.00 O ATOM 1461 CB ILE A 104 5.076 1.341 -7.175 1.00 0.00 C ATOM 1462 CG1 ILE A 104 5.950 2.283 -7.999 1.00 0.00 C ATOM 1463 CG2 ILE A 104 4.560 0.201 -8.044 1.00 0.00 C ATOM 1464 CD1 ILE A 104 5.181 3.072 -9.039 1.00 0.00 C ATOM 0 H ILE A 104 5.199 2.969 -5.137 1.00 0.00 H new ATOM 0 HA ILE A 104 3.322 2.572 -7.346 1.00 0.00 H new ATOM 0 HB ILE A 104 5.679 0.916 -6.373 1.00 0.00 H new ATOM 0 HG12 ILE A 104 6.454 2.978 -7.327 1.00 0.00 H new ATOM 0 HG13 ILE A 104 6.726 1.702 -8.497 1.00 0.00 H new ATOM 0 HG21 ILE A 104 5.403 -0.334 -8.481 1.00 0.00 H new ATOM 0 HG22 ILE A 104 3.972 -0.484 -7.434 1.00 0.00 H new ATOM 0 HG23 ILE A 104 3.935 0.605 -8.840 1.00 0.00 H new ATOM 0 HD11 ILE A 104 5.867 3.719 -9.585 1.00 0.00 H new ATOM 0 HD12 ILE A 104 4.699 2.385 -9.734 1.00 0.00 H new ATOM 0 HD13 ILE A 104 4.423 3.681 -8.547 1.00 0.00 H new ATOM 1476 N VAL A 105 1.991 0.646 -6.414 1.00 0.00 N ATOM 1477 CA VAL A 105 1.070 -0.284 -5.772 1.00 0.00 C ATOM 1478 C VAL A 105 0.634 -1.388 -6.727 1.00 0.00 C ATOM 1479 O VAL A 105 0.837 -1.296 -7.937 1.00 0.00 O ATOM 1480 CB VAL A 105 -0.182 0.443 -5.249 1.00 0.00 C ATOM 1481 CG1 VAL A 105 0.185 1.413 -4.137 1.00 0.00 C ATOM 1482 CG2 VAL A 105 -0.894 1.164 -6.384 1.00 0.00 C ATOM 0 H VAL A 105 1.767 0.863 -7.385 1.00 0.00 H new ATOM 0 HA VAL A 105 1.608 -0.728 -4.935 1.00 0.00 H new ATOM 0 HB VAL A 105 -0.864 -0.301 -4.837 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.714 1.916 -3.782 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.644 0.866 -3.314 1.00 0.00 H new ATOM 0 HG13 VAL A 105 0.889 2.153 -4.518 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.777 1.672 -5.995 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.220 1.896 -6.829 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -1.196 0.441 -7.142 1.00 0.00 H new ATOM 1492 N ALA A 106 0.028 -2.432 -6.169 1.00 0.00 N ATOM 1493 CA ALA A 106 -0.449 -3.559 -6.960 1.00 0.00 C ATOM 1494 C ALA A 106 -1.933 -3.803 -6.709 1.00 0.00 C ATOM 1495 O ALA A 106 -2.432 -3.570 -5.608 1.00 0.00 O ATOM 1496 CB ALA A 106 0.357 -4.808 -6.639 1.00 0.00 C ATOM 0 H ALA A 106 -0.144 -2.520 -5.167 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.316 -3.320 -8.015 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -0.010 -5.642 -7.237 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.408 -4.632 -6.869 1.00 0.00 H new ATOM 0 HB3 ALA A 106 0.252 -5.047 -5.581 1.00 0.00 H new ATOM 1502 N ARG A 107 -2.636 -4.267 -7.737 1.00 0.00 N ATOM 1503 CA ARG A 107 -4.065 -4.535 -7.623 1.00 0.00 C ATOM 1504 C ARG A 107 -4.421 -5.891 -8.223 1.00 0.00 C ATOM 1505 O ARG A 107 -4.046 -6.201 -9.353 1.00 0.00 O ATOM 1506 CB ARG A 107 -4.865 -3.434 -8.319 1.00 0.00 C ATOM 1507 CG ARG A 107 -6.143 -3.055 -7.589 1.00 0.00 C ATOM 1508 CD ARG A 107 -6.763 -1.795 -8.169 1.00 0.00 C ATOM 1509 NE ARG A 107 -7.242 -0.890 -7.127 1.00 0.00 N ATOM 1510 CZ ARG A 107 -8.394 -1.050 -6.480 1.00 0.00 C ATOM 1511 NH1 ARG A 107 -9.188 -2.074 -6.765 1.00 0.00 N ATOM 1512 NH2 ARG A 107 -8.752 -0.182 -5.542 1.00 0.00 N ATOM 0 H ARG A 107 -2.241 -4.465 -8.656 1.00 0.00 H new ATOM 0 HA ARG A 107 -4.320 -4.552 -6.563 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -4.237 -2.548 -8.419 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.116 -3.762 -9.328 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -6.857 -3.876 -7.653 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -5.928 -2.902 -6.531 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -6.027 -1.280 -8.786 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -7.592 -2.067 -8.822 1.00 0.00 H new ATOM 0 HE ARG A 107 -6.660 -0.089 -6.881 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -8.917 -2.745 -7.484 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -10.069 -2.190 -6.265 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -8.145 0.606 -5.318 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -9.635 -0.303 -5.045 1.00 0.00 H new ATOM 1526 N ARG A 108 -5.151 -6.696 -7.457 1.00 0.00 N ATOM 1527 CA ARG A 108 -5.565 -8.017 -7.911 1.00 0.00 C ATOM 1528 C ARG A 108 -6.781 -7.915 -8.827 1.00 0.00 C ATOM 1529 O ARG A 108 -7.825 -7.393 -8.434 1.00 0.00 O ATOM 1530 CB ARG A 108 -5.885 -8.915 -6.711 1.00 0.00 C ATOM 1531 CG ARG A 108 -5.161 -10.250 -6.739 1.00 0.00 C ATOM 1532 CD ARG A 108 -6.099 -11.388 -7.114 1.00 0.00 C ATOM 1533 NE ARG A 108 -7.144 -11.587 -6.115 1.00 0.00 N ATOM 1534 CZ ARG A 108 -6.925 -12.095 -4.904 1.00 0.00 C ATOM 1535 NH1 ARG A 108 -5.700 -12.454 -4.539 1.00 0.00 N ATOM 1536 NH2 ARG A 108 -7.932 -12.243 -4.054 1.00 0.00 N ATOM 0 H ARG A 108 -5.468 -6.455 -6.518 1.00 0.00 H new ATOM 0 HA ARG A 108 -4.743 -8.459 -8.474 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -5.622 -8.388 -5.794 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -6.960 -9.095 -6.679 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -4.340 -10.204 -7.454 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -4.722 -10.447 -5.761 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -6.557 -11.177 -8.080 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -5.526 -12.308 -7.227 1.00 0.00 H new ATOM 0 HE ARG A 108 -8.098 -11.321 -6.359 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -4.921 -12.341 -5.188 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -5.538 -12.843 -3.610 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -8.875 -11.968 -4.328 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -7.763 -12.632 -3.126 1.00 0.00 H new ATOM 1550 N ILE A 109 -6.641 -8.412 -10.052 1.00 0.00 N ATOM 1551 CA ILE A 109 -7.727 -8.371 -11.022 1.00 0.00 C ATOM 1552 C ILE A 109 -8.958 -9.112 -10.504 1.00 0.00 C ATOM 1553 O ILE A 109 -9.890 -8.495 -9.986 1.00 0.00 O ATOM 1554 CB ILE A 109 -7.296 -8.967 -12.380 1.00 0.00 C ATOM 1555 CG1 ILE A 109 -6.055 -8.243 -12.907 1.00 0.00 C ATOM 1556 CG2 ILE A 109 -8.434 -8.885 -13.386 1.00 0.00 C ATOM 1557 CD1 ILE A 109 -6.318 -6.813 -13.325 1.00 0.00 C ATOM 0 H ILE A 109 -5.785 -8.848 -10.396 1.00 0.00 H new ATOM 0 HA ILE A 109 -7.982 -7.321 -11.169 1.00 0.00 H new ATOM 0 HB ILE A 109 -7.047 -10.018 -12.234 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -5.285 -8.251 -12.135 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -5.658 -8.794 -13.759 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -8.111 -9.310 -14.336 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -9.292 -9.444 -13.012 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -8.716 -7.842 -13.532 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -5.393 -6.364 -13.687 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -7.065 -6.797 -14.119 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -6.686 -6.246 -12.470 1.00 0.00 H new ATOM 1569 N SER A 110 -8.955 -10.434 -10.641 1.00 0.00 N ATOM 1570 CA SER A 110 -10.068 -11.257 -10.186 1.00 0.00 C ATOM 1571 C SER A 110 -11.366 -10.873 -10.897 1.00 0.00 C ATOM 1572 O SER A 110 -11.760 -11.511 -11.874 1.00 0.00 O ATOM 1573 CB SER A 110 -10.237 -11.129 -8.669 1.00 0.00 C ATOM 1574 OG SER A 110 -9.816 -12.308 -8.007 1.00 0.00 O ATOM 0 H SER A 110 -8.191 -10.959 -11.065 1.00 0.00 H new ATOM 0 HA SER A 110 -9.843 -12.295 -10.432 1.00 0.00 H new ATOM 0 HB2 SER A 110 -9.659 -10.279 -8.306 1.00 0.00 H new ATOM 0 HB3 SER A 110 -11.282 -10.929 -8.432 1.00 0.00 H new ATOM 0 HG SER A 110 -9.933 -12.200 -7.040 1.00 0.00 H new TER 1580 SER A 110