USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 602 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 33 GLN : amide:sc= -0.681 K(o=-20,f=-8) USER MOD Set 1.2: A 49 ASN : amide:sc= -4.62! C(o=-20!,f=-11!) USER MOD Set 1.3: A 51 ASN : amide:sc= -14.6! C(o=-20!,f=-8!) USER MOD Set 1.4: A 52 SER OG : rot -110:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 137:sc= -0.294 (180deg=-1.46!) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.929 K(o=-0.93,f=-0.29) USER MOD Single : A 18 LYS NZ :NH3+ 146:sc= -0.33 (180deg=-1.44!) USER MOD Single : A 19 THR OG1 : rot -8:sc= 0.335! USER MOD Single : A 20 SER OG : rot 180:sc= 0.00122 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -159:sc= -1.59! (180deg=-2.1!) USER MOD Single : A 30 GLN : amide:sc= -0.0677 X(o=-0.068,f=0) USER MOD Single : A 34 ASN : amide:sc= -1.84 K(o=-1.8,f=0.005) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.042 USER MOD Single : A 41 LYS NZ :NH3+ -162:sc= -0.226 (180deg=-0.833) USER MOD Single : A 44 LYS NZ :NH3+ -132:sc= -3.59! (180deg=-6.39!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.061) USER MOD Single : A 65 GLN : amide:sc= -2.73! K(o=-2.7!,f=-0.28) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -57:sc= 1.22 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.598 -6.342 8.726 1.00 0.00 N ATOM 2 CA MET A 1 9.565 -4.913 8.303 1.00 0.00 C ATOM 3 C MET A 1 8.113 -4.437 8.231 1.00 0.00 C ATOM 4 O MET A 1 7.199 -5.140 8.613 1.00 0.00 O ATOM 5 CB MET A 1 10.223 -4.769 6.926 1.00 0.00 C ATOM 6 CG MET A 1 9.507 -5.660 5.903 1.00 0.00 C ATOM 7 SD MET A 1 8.017 -4.823 5.306 1.00 0.00 S ATOM 8 CE MET A 1 7.172 -6.291 4.670 1.00 0.00 C ATOM 0 H1 MET A 1 10.291 -6.859 8.148 1.00 0.00 H new ATOM 0 H2 MET A 1 9.870 -6.401 9.728 1.00 0.00 H new ATOM 0 H3 MET A 1 8.656 -6.764 8.597 1.00 0.00 H new ATOM 0 HA MET A 1 10.110 -4.307 9.027 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.185 -3.729 6.603 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.276 -5.045 6.987 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.172 -5.879 5.068 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.242 -6.614 6.359 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.210 -6.002 4.246 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.784 -6.757 3.898 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.012 -7.000 5.483 1.00 0.00 H new ATOM 20 N GLU A 2 7.893 -3.244 7.744 1.00 0.00 N ATOM 21 CA GLU A 2 6.499 -2.717 7.645 1.00 0.00 C ATOM 22 C GLU A 2 6.409 -1.740 6.472 1.00 0.00 C ATOM 23 O GLU A 2 7.203 -0.828 6.348 1.00 0.00 O ATOM 24 CB GLU A 2 6.136 -1.991 8.943 1.00 0.00 C ATOM 25 CG GLU A 2 4.708 -1.451 8.843 1.00 0.00 C ATOM 26 CD GLU A 2 4.224 -1.031 10.232 1.00 0.00 C ATOM 27 OE1 GLU A 2 4.975 -0.364 10.924 1.00 0.00 O ATOM 28 OE2 GLU A 2 3.108 -1.384 10.579 1.00 0.00 O ATOM 0 H GLU A 2 8.619 -2.611 7.410 1.00 0.00 H new ATOM 0 HA GLU A 2 5.806 -3.543 7.485 1.00 0.00 H new ATOM 0 HB2 GLU A 2 6.220 -2.673 9.789 1.00 0.00 H new ATOM 0 HB3 GLU A 2 6.834 -1.173 9.122 1.00 0.00 H new ATOM 0 HG2 GLU A 2 4.676 -0.600 8.162 1.00 0.00 H new ATOM 0 HG3 GLU A 2 4.047 -2.214 8.431 1.00 0.00 H new ATOM 35 N LEU A 3 5.447 -1.921 5.609 1.00 0.00 N ATOM 36 CA LEU A 3 5.307 -1.001 4.444 1.00 0.00 C ATOM 37 C LEU A 3 3.883 -1.097 3.891 1.00 0.00 C ATOM 38 O LEU A 3 3.620 -1.820 2.952 1.00 0.00 O ATOM 39 CB LEU A 3 6.311 -1.405 3.356 1.00 0.00 C ATOM 40 CG LEU A 3 6.287 -0.392 2.192 1.00 0.00 C ATOM 41 CD1 LEU A 3 7.048 0.886 2.574 1.00 0.00 C ATOM 42 CD2 LEU A 3 6.949 -1.020 0.962 1.00 0.00 C ATOM 0 H LEU A 3 4.752 -2.666 5.660 1.00 0.00 H new ATOM 0 HA LEU A 3 5.505 0.024 4.758 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.314 -1.456 3.780 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.071 -2.401 2.984 1.00 0.00 H new ATOM 0 HG LEU A 3 5.251 -0.135 1.972 1.00 0.00 H new ATOM 0 HD11 LEU A 3 7.020 1.589 1.741 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.581 1.340 3.448 1.00 0.00 H new ATOM 0 HD13 LEU A 3 8.084 0.637 2.805 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.934 -0.308 0.137 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.981 -1.281 1.198 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.404 -1.919 0.675 1.00 0.00 H new ATOM 54 N TRP A 4 2.964 -0.366 4.460 1.00 0.00 N ATOM 55 CA TRP A 4 1.563 -0.411 3.957 1.00 0.00 C ATOM 56 C TRP A 4 1.444 0.506 2.739 1.00 0.00 C ATOM 57 O TRP A 4 2.328 1.290 2.457 1.00 0.00 O ATOM 58 CB TRP A 4 0.610 0.050 5.062 1.00 0.00 C ATOM 59 CG TRP A 4 0.720 -0.893 6.216 1.00 0.00 C ATOM 60 CD1 TRP A 4 1.763 -0.943 7.077 1.00 0.00 C ATOM 61 CD2 TRP A 4 -0.215 -1.925 6.644 1.00 0.00 C ATOM 62 NE1 TRP A 4 1.530 -1.937 8.010 1.00 0.00 N ATOM 63 CE2 TRP A 4 0.325 -2.573 7.789 1.00 0.00 C ATOM 64 CE3 TRP A 4 -1.470 -2.361 6.159 1.00 0.00 C ATOM 65 CZ2 TRP A 4 -0.355 -3.618 8.429 1.00 0.00 C ATOM 66 CZ3 TRP A 4 -2.158 -3.413 6.802 1.00 0.00 C ATOM 67 CH2 TRP A 4 -1.601 -4.039 7.934 1.00 0.00 C ATOM 0 H TRP A 4 3.123 0.259 5.250 1.00 0.00 H new ATOM 0 HA TRP A 4 1.300 -1.429 3.669 1.00 0.00 H new ATOM 0 HB2 TRP A 4 0.859 1.063 5.377 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -0.415 0.075 4.691 1.00 0.00 H new ATOM 0 HD1 TRP A 4 2.637 -0.309 7.041 1.00 0.00 H new ATOM 0 HE1 TRP A 4 2.170 -2.171 8.769 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -1.905 -1.886 5.292 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 0.075 -4.096 9.296 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -3.116 -3.739 6.424 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -2.132 -4.843 8.422 1.00 0.00 H new ATOM 78 N VAL A 5 0.366 0.403 2.005 1.00 0.00 N ATOM 79 CA VAL A 5 0.194 1.257 0.788 1.00 0.00 C ATOM 80 C VAL A 5 -1.250 1.755 0.701 1.00 0.00 C ATOM 81 O VAL A 5 -2.163 1.134 1.208 1.00 0.00 O ATOM 82 CB VAL A 5 0.521 0.423 -0.450 1.00 0.00 C ATOM 83 CG1 VAL A 5 0.650 1.341 -1.663 1.00 0.00 C ATOM 84 CG2 VAL A 5 1.840 -0.319 -0.228 1.00 0.00 C ATOM 0 H VAL A 5 -0.405 -0.237 2.195 1.00 0.00 H new ATOM 0 HA VAL A 5 0.862 2.116 0.847 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.277 -0.298 -0.625 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.883 0.746 -2.546 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -0.290 1.871 -1.820 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.449 2.062 -1.490 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.075 -0.915 -1.110 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.638 0.402 -0.054 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.748 -0.974 0.638 1.00 0.00 H new ATOM 94 N SER A 6 -1.459 2.879 0.059 1.00 0.00 N ATOM 95 CA SER A 6 -2.841 3.440 -0.075 1.00 0.00 C ATOM 96 C SER A 6 -3.368 3.146 -1.498 1.00 0.00 C ATOM 97 O SER A 6 -2.580 3.028 -2.415 1.00 0.00 O ATOM 98 CB SER A 6 -2.775 4.955 0.147 1.00 0.00 C ATOM 99 OG SER A 6 -2.729 5.222 1.542 1.00 0.00 O ATOM 0 H SER A 6 -0.726 3.436 -0.381 1.00 0.00 H new ATOM 0 HA SER A 6 -3.509 2.987 0.658 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.894 5.368 -0.344 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.644 5.438 -0.299 1.00 0.00 H new ATOM 0 HG SER A 6 -2.685 6.190 1.689 1.00 0.00 H new ATOM 105 N PRO A 7 -4.678 3.044 -1.660 1.00 0.00 N ATOM 106 CA PRO A 7 -5.266 2.775 -2.990 1.00 0.00 C ATOM 107 C PRO A 7 -4.746 3.786 -4.027 1.00 0.00 C ATOM 108 O PRO A 7 -4.385 3.426 -5.129 1.00 0.00 O ATOM 109 CB PRO A 7 -6.795 2.913 -2.785 1.00 0.00 C ATOM 110 CG PRO A 7 -7.043 3.168 -1.267 1.00 0.00 C ATOM 111 CD PRO A 7 -5.666 3.182 -0.567 1.00 0.00 C ATOM 0 HA PRO A 7 -4.999 1.789 -3.370 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -7.189 3.736 -3.381 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -7.309 2.009 -3.111 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -7.559 4.116 -1.117 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.679 2.389 -0.846 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -5.515 4.108 -0.013 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -5.579 2.365 0.149 1.00 0.00 H new ATOM 119 N LYS A 8 -4.717 5.045 -3.686 1.00 0.00 N ATOM 120 CA LYS A 8 -4.236 6.072 -4.659 1.00 0.00 C ATOM 121 C LYS A 8 -2.787 5.780 -5.062 1.00 0.00 C ATOM 122 O LYS A 8 -2.346 6.157 -6.129 1.00 0.00 O ATOM 123 CB LYS A 8 -4.320 7.459 -4.017 1.00 0.00 C ATOM 124 CG LYS A 8 -3.311 7.560 -2.870 1.00 0.00 C ATOM 125 CD LYS A 8 -3.646 8.769 -1.992 1.00 0.00 C ATOM 126 CE LYS A 8 -3.465 10.056 -2.799 1.00 0.00 C ATOM 127 NZ LYS A 8 -3.428 11.223 -1.870 1.00 0.00 N ATOM 0 H LYS A 8 -5.005 5.409 -2.778 1.00 0.00 H new ATOM 0 HA LYS A 8 -4.864 6.041 -5.550 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.116 8.228 -4.762 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.328 7.637 -3.643 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.332 6.648 -2.273 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.301 7.657 -3.269 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.672 8.696 -1.631 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.999 8.784 -1.115 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.543 10.009 -3.378 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -4.282 10.170 -3.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -3.305 12.099 -2.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -4.320 11.270 -1.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.634 11.114 -1.208 1.00 0.00 H new ATOM 141 N GLU A 9 -2.042 5.116 -4.222 1.00 0.00 N ATOM 142 CA GLU A 9 -0.621 4.807 -4.567 1.00 0.00 C ATOM 143 C GLU A 9 -0.567 3.535 -5.419 1.00 0.00 C ATOM 144 O GLU A 9 0.356 3.324 -6.179 1.00 0.00 O ATOM 145 CB GLU A 9 0.181 4.601 -3.276 1.00 0.00 C ATOM 146 CG GLU A 9 0.541 5.960 -2.667 1.00 0.00 C ATOM 147 CD GLU A 9 1.655 6.609 -3.492 1.00 0.00 C ATOM 148 OE1 GLU A 9 2.668 5.961 -3.695 1.00 0.00 O ATOM 149 OE2 GLU A 9 1.474 7.742 -3.905 1.00 0.00 O ATOM 0 H GLU A 9 -2.353 4.774 -3.313 1.00 0.00 H new ATOM 0 HA GLU A 9 -0.192 5.635 -5.131 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -0.402 4.016 -2.564 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.088 4.035 -3.487 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.336 6.606 -2.649 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.865 5.833 -1.634 1.00 0.00 H new ATOM 156 N LEU A 10 -1.552 2.685 -5.299 1.00 0.00 N ATOM 157 CA LEU A 10 -1.557 1.428 -6.104 1.00 0.00 C ATOM 158 C LEU A 10 -2.107 1.726 -7.500 1.00 0.00 C ATOM 159 O LEU A 10 -1.909 0.970 -8.430 1.00 0.00 O ATOM 160 CB LEU A 10 -2.452 0.390 -5.419 1.00 0.00 C ATOM 161 CG LEU A 10 -1.844 -0.032 -4.072 1.00 0.00 C ATOM 162 CD1 LEU A 10 -2.891 -0.809 -3.271 1.00 0.00 C ATOM 163 CD2 LEU A 10 -0.606 -0.921 -4.293 1.00 0.00 C ATOM 0 H LEU A 10 -2.353 2.806 -4.679 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.542 1.040 -6.184 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.448 0.805 -5.262 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.568 -0.482 -6.063 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.540 0.861 -3.525 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.466 -1.112 -2.314 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.761 -0.175 -3.098 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.193 -1.695 -3.830 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.189 -1.210 -3.328 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.894 -1.815 -4.846 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.142 -0.368 -4.861 1.00 0.00 H new ATOM 175 N ALA A 11 -2.807 2.820 -7.643 1.00 0.00 N ATOM 176 CA ALA A 11 -3.381 3.193 -8.969 1.00 0.00 C ATOM 177 C ALA A 11 -2.267 3.475 -9.994 1.00 0.00 C ATOM 178 O ALA A 11 -2.426 4.313 -10.860 1.00 0.00 O ATOM 179 CB ALA A 11 -4.247 4.445 -8.805 1.00 0.00 C ATOM 0 H ALA A 11 -3.008 3.478 -6.890 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.982 2.361 -9.335 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -4.670 4.724 -9.770 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.053 4.240 -8.101 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.635 5.264 -8.427 1.00 0.00 H new ATOM 185 N ASN A 12 -1.141 2.805 -9.912 1.00 0.00 N ATOM 186 CA ASN A 12 -0.041 3.075 -10.894 1.00 0.00 C ATOM 187 C ASN A 12 0.736 1.791 -11.212 1.00 0.00 C ATOM 188 O ASN A 12 1.546 1.766 -12.116 1.00 0.00 O ATOM 189 CB ASN A 12 0.918 4.111 -10.303 1.00 0.00 C ATOM 190 CG ASN A 12 2.023 4.420 -11.315 1.00 0.00 C ATOM 191 OD1 ASN A 12 3.174 4.551 -10.953 1.00 0.00 O ATOM 192 ND2 ASN A 12 1.718 4.542 -12.579 1.00 0.00 N ATOM 0 H ASN A 12 -0.937 2.089 -9.214 1.00 0.00 H new ATOM 0 HA ASN A 12 -0.483 3.451 -11.817 1.00 0.00 H new ATOM 0 HB2 ASN A 12 0.376 5.022 -10.051 1.00 0.00 H new ATOM 0 HB3 ASN A 12 1.353 3.733 -9.378 1.00 0.00 H new ATOM 0 HD21 ASN A 12 2.447 4.747 -13.262 1.00 0.00 H new ATOM 0 HD22 ASN A 12 0.751 4.432 -12.883 1.00 0.00 H new ATOM 199 N LEU A 13 0.501 0.720 -10.500 1.00 0.00 N ATOM 200 CA LEU A 13 1.240 -0.539 -10.809 1.00 0.00 C ATOM 201 C LEU A 13 0.580 -1.193 -12.040 1.00 0.00 C ATOM 202 O LEU A 13 -0.614 -1.064 -12.209 1.00 0.00 O ATOM 203 CB LEU A 13 1.159 -1.495 -9.611 1.00 0.00 C ATOM 204 CG LEU A 13 1.499 -0.750 -8.311 1.00 0.00 C ATOM 205 CD1 LEU A 13 1.685 -1.765 -7.175 1.00 0.00 C ATOM 206 CD2 LEU A 13 2.794 0.054 -8.491 1.00 0.00 C ATOM 0 H LEU A 13 -0.162 0.662 -9.727 1.00 0.00 H new ATOM 0 HA LEU A 13 2.288 -0.321 -11.013 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.158 -1.920 -9.543 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.849 -2.326 -9.753 1.00 0.00 H new ATOM 0 HG LEU A 13 0.684 -0.068 -8.067 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.926 -1.238 -6.252 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.764 -2.332 -7.039 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.497 -2.447 -7.426 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.028 0.579 -7.565 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.611 -0.623 -8.741 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.664 0.778 -9.296 1.00 0.00 H new ATOM 218 N PRO A 14 1.347 -1.873 -12.876 1.00 0.00 N ATOM 219 CA PRO A 14 0.774 -2.517 -14.078 1.00 0.00 C ATOM 220 C PRO A 14 -0.313 -3.528 -13.680 1.00 0.00 C ATOM 221 O PRO A 14 -1.472 -3.375 -14.015 1.00 0.00 O ATOM 222 CB PRO A 14 1.972 -3.221 -14.763 1.00 0.00 C ATOM 223 CG PRO A 14 3.213 -3.029 -13.844 1.00 0.00 C ATOM 224 CD PRO A 14 2.806 -2.058 -12.714 1.00 0.00 C ATOM 0 HA PRO A 14 0.294 -1.800 -14.744 1.00 0.00 H new ATOM 0 HB2 PRO A 14 1.762 -4.281 -14.908 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.155 -2.794 -15.749 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.536 -3.985 -13.431 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.052 -2.627 -14.412 1.00 0.00 H new ATOM 0 HD2 PRO A 14 3.045 -2.470 -11.734 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.336 -1.109 -12.799 1.00 0.00 H new ATOM 232 N GLY A 15 0.060 -4.562 -12.981 1.00 0.00 N ATOM 233 CA GLY A 15 -0.934 -5.598 -12.570 1.00 0.00 C ATOM 234 C GLY A 15 -2.205 -4.934 -12.036 1.00 0.00 C ATOM 235 O GLY A 15 -3.302 -5.410 -12.252 1.00 0.00 O ATOM 0 H GLY A 15 1.017 -4.737 -12.673 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -1.178 -6.235 -13.420 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.502 -6.242 -11.803 1.00 0.00 H new ATOM 239 N LEU A 16 -2.070 -3.841 -11.333 1.00 0.00 N ATOM 240 CA LEU A 16 -3.273 -3.149 -10.774 1.00 0.00 C ATOM 241 C LEU A 16 -3.730 -2.052 -11.762 1.00 0.00 C ATOM 242 O LEU A 16 -2.905 -1.493 -12.453 1.00 0.00 O ATOM 243 CB LEU A 16 -2.886 -2.506 -9.438 1.00 0.00 C ATOM 244 CG LEU A 16 -2.140 -3.527 -8.571 1.00 0.00 C ATOM 245 CD1 LEU A 16 -1.829 -2.896 -7.213 1.00 0.00 C ATOM 246 CD2 LEU A 16 -3.010 -4.776 -8.370 1.00 0.00 C ATOM 0 H LEU A 16 -1.178 -3.395 -11.120 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.085 -3.861 -10.623 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.257 -1.633 -9.612 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.779 -2.157 -8.919 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.213 -3.816 -9.066 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.298 -3.616 -6.590 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.207 -2.012 -7.356 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.760 -2.609 -6.723 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.474 -5.497 -7.753 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.940 -4.496 -7.875 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.234 -5.223 -9.339 1.00 0.00 H new ATOM 258 N PRO A 17 -5.019 -1.755 -11.811 1.00 0.00 N ATOM 259 CA PRO A 17 -5.520 -0.709 -12.724 1.00 0.00 C ATOM 260 C PRO A 17 -4.770 0.608 -12.471 1.00 0.00 C ATOM 261 O PRO A 17 -3.971 0.714 -11.563 1.00 0.00 O ATOM 262 CB PRO A 17 -7.028 -0.578 -12.398 1.00 0.00 C ATOM 263 CG PRO A 17 -7.353 -1.604 -11.274 1.00 0.00 C ATOM 264 CD PRO A 17 -6.065 -2.409 -10.991 1.00 0.00 C ATOM 0 HA PRO A 17 -5.365 -0.955 -13.774 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.263 0.435 -12.072 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -7.631 -0.776 -13.284 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.690 -1.091 -10.373 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -8.160 -2.268 -11.583 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.809 -2.385 -9.932 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -6.185 -3.457 -11.266 1.00 0.00 H new ATOM 272 N LYS A 18 -5.024 1.610 -13.273 1.00 0.00 N ATOM 273 CA LYS A 18 -4.333 2.921 -13.092 1.00 0.00 C ATOM 274 C LYS A 18 -5.212 3.858 -12.263 1.00 0.00 C ATOM 275 O LYS A 18 -4.835 4.975 -11.968 1.00 0.00 O ATOM 276 CB LYS A 18 -4.075 3.546 -14.462 1.00 0.00 C ATOM 277 CG LYS A 18 -3.389 2.516 -15.380 1.00 0.00 C ATOM 278 CD LYS A 18 -2.507 3.232 -16.419 1.00 0.00 C ATOM 279 CE LYS A 18 -1.117 3.509 -15.833 1.00 0.00 C ATOM 280 NZ LYS A 18 -0.481 2.221 -15.438 1.00 0.00 N ATOM 0 H LYS A 18 -5.684 1.576 -14.050 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.387 2.764 -12.574 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -5.015 3.874 -14.906 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.446 4.430 -14.357 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.781 1.835 -14.784 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.142 1.911 -15.886 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.416 2.618 -17.315 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.976 4.169 -16.721 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.497 4.024 -16.567 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.199 4.167 -14.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.546 2.279 -15.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.670 2.035 -14.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.875 1.449 -16.013 1.00 0.00 H new ATOM 294 N THR A 19 -6.384 3.408 -11.891 1.00 0.00 N ATOM 295 CA THR A 19 -7.314 4.258 -11.079 1.00 0.00 C ATOM 296 C THR A 19 -7.665 3.529 -9.781 1.00 0.00 C ATOM 297 O THR A 19 -8.031 2.370 -9.787 1.00 0.00 O ATOM 298 CB THR A 19 -8.596 4.510 -11.878 1.00 0.00 C ATOM 299 OG1 THR A 19 -9.426 3.359 -11.813 1.00 0.00 O ATOM 300 CG2 THR A 19 -8.238 4.803 -13.336 1.00 0.00 C ATOM 0 H THR A 19 -6.741 2.480 -12.116 1.00 0.00 H new ATOM 0 HA THR A 19 -6.832 5.208 -10.847 1.00 0.00 H new ATOM 0 HB THR A 19 -9.127 5.364 -11.457 1.00 0.00 H new ATOM 0 HG1 THR A 19 -8.937 2.627 -11.383 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.150 4.982 -13.906 1.00 0.00 H new ATOM 0 HG22 THR A 19 -7.601 5.686 -13.384 1.00 0.00 H new ATOM 0 HG23 THR A 19 -7.708 3.950 -13.759 1.00 0.00 H new ATOM 308 N SER A 20 -7.552 4.198 -8.666 1.00 0.00 N ATOM 309 CA SER A 20 -7.877 3.546 -7.368 1.00 0.00 C ATOM 310 C SER A 20 -9.281 2.942 -7.434 1.00 0.00 C ATOM 311 O SER A 20 -9.579 1.965 -6.774 1.00 0.00 O ATOM 312 CB SER A 20 -7.821 4.586 -6.248 1.00 0.00 C ATOM 313 OG SER A 20 -8.482 5.769 -6.675 1.00 0.00 O ATOM 0 H SER A 20 -7.248 5.169 -8.599 1.00 0.00 H new ATOM 0 HA SER A 20 -7.153 2.756 -7.168 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.296 4.195 -5.348 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.785 4.806 -5.992 1.00 0.00 H new ATOM 0 HG SER A 20 -8.450 6.438 -5.960 1.00 0.00 H new ATOM 319 N ALA A 21 -10.147 3.513 -8.224 1.00 0.00 N ATOM 320 CA ALA A 21 -11.530 2.970 -8.329 1.00 0.00 C ATOM 321 C ALA A 21 -11.466 1.483 -8.676 1.00 0.00 C ATOM 322 O ALA A 21 -12.225 0.682 -8.167 1.00 0.00 O ATOM 323 CB ALA A 21 -12.293 3.719 -9.424 1.00 0.00 C ATOM 0 H ALA A 21 -9.957 4.332 -8.801 1.00 0.00 H new ATOM 0 HA ALA A 21 -12.045 3.100 -7.377 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.305 3.321 -9.500 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.338 4.779 -9.176 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.780 3.591 -10.377 1.00 0.00 H new ATOM 329 N GLY A 22 -10.562 1.108 -9.536 1.00 0.00 N ATOM 330 CA GLY A 22 -10.446 -0.328 -9.916 1.00 0.00 C ATOM 331 C GLY A 22 -9.743 -1.093 -8.795 1.00 0.00 C ATOM 332 O GLY A 22 -10.019 -2.253 -8.553 1.00 0.00 O ATOM 0 H GLY A 22 -9.898 1.733 -9.993 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -11.435 -0.750 -10.095 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -9.885 -0.426 -10.846 1.00 0.00 H new ATOM 336 N VAL A 23 -8.838 -0.456 -8.104 1.00 0.00 N ATOM 337 CA VAL A 23 -8.120 -1.151 -6.998 1.00 0.00 C ATOM 338 C VAL A 23 -9.110 -1.481 -5.881 1.00 0.00 C ATOM 339 O VAL A 23 -9.242 -2.617 -5.473 1.00 0.00 O ATOM 340 CB VAL A 23 -7.019 -0.241 -6.450 1.00 0.00 C ATOM 341 CG1 VAL A 23 -6.253 -0.975 -5.347 1.00 0.00 C ATOM 342 CG2 VAL A 23 -6.056 0.128 -7.580 1.00 0.00 C ATOM 0 H VAL A 23 -8.565 0.515 -8.257 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.674 -2.071 -7.376 1.00 0.00 H new ATOM 0 HB VAL A 23 -7.465 0.665 -6.041 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.468 -0.327 -4.956 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.939 -1.240 -4.542 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.805 -1.881 -5.756 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.271 0.776 -7.192 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.609 -0.779 -7.988 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.601 0.650 -8.367 1.00 0.00 H new ATOM 352 N ILE A 24 -9.809 -0.498 -5.382 1.00 0.00 N ATOM 353 CA ILE A 24 -10.790 -0.764 -4.293 1.00 0.00 C ATOM 354 C ILE A 24 -11.818 -1.783 -4.785 1.00 0.00 C ATOM 355 O ILE A 24 -12.145 -2.729 -4.097 1.00 0.00 O ATOM 356 CB ILE A 24 -11.483 0.545 -3.899 1.00 0.00 C ATOM 357 CG1 ILE A 24 -10.453 1.465 -3.223 1.00 0.00 C ATOM 358 CG2 ILE A 24 -12.632 0.248 -2.927 1.00 0.00 C ATOM 359 CD1 ILE A 24 -11.056 2.856 -2.949 1.00 0.00 C ATOM 0 H ILE A 24 -9.743 0.475 -5.681 1.00 0.00 H new ATOM 0 HA ILE A 24 -10.278 -1.166 -3.419 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.888 1.033 -4.785 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -10.119 1.018 -2.287 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -9.574 1.564 -3.860 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -13.123 1.180 -2.648 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -13.354 -0.413 -3.408 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -12.237 -0.235 -2.033 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -10.309 3.489 -2.470 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -11.367 3.310 -3.890 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.920 2.755 -2.292 1.00 0.00 H new ATOM 371 N TYR A 25 -12.324 -1.608 -5.976 1.00 0.00 N ATOM 372 CA TYR A 25 -13.320 -2.582 -6.506 1.00 0.00 C ATOM 373 C TYR A 25 -12.672 -3.963 -6.577 1.00 0.00 C ATOM 374 O TYR A 25 -13.256 -4.958 -6.193 1.00 0.00 O ATOM 375 CB TYR A 25 -13.764 -2.153 -7.906 1.00 0.00 C ATOM 376 CG TYR A 25 -14.717 -3.182 -8.467 1.00 0.00 C ATOM 377 CD1 TYR A 25 -14.217 -4.299 -9.163 1.00 0.00 C ATOM 378 CD2 TYR A 25 -16.105 -3.025 -8.293 1.00 0.00 C ATOM 379 CE1 TYR A 25 -15.104 -5.258 -9.685 1.00 0.00 C ATOM 380 CE2 TYR A 25 -16.993 -3.984 -8.816 1.00 0.00 C ATOM 381 CZ TYR A 25 -16.493 -5.102 -9.512 1.00 0.00 C ATOM 382 OH TYR A 25 -17.364 -6.043 -10.024 1.00 0.00 O ATOM 0 H TYR A 25 -12.092 -0.837 -6.602 1.00 0.00 H new ATOM 0 HA TYR A 25 -14.189 -2.614 -5.849 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -14.249 -1.178 -7.863 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -12.897 -2.050 -8.559 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -13.152 -4.420 -9.296 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -16.489 -2.169 -7.758 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -14.720 -6.115 -10.219 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -18.058 -3.863 -8.684 1.00 0.00 H new ATOM 0 HH TYR A 25 -18.286 -5.784 -9.815 1.00 0.00 H new ATOM 392 N VAL A 26 -11.464 -4.028 -7.063 1.00 0.00 N ATOM 393 CA VAL A 26 -10.762 -5.339 -7.158 1.00 0.00 C ATOM 394 C VAL A 26 -10.291 -5.762 -5.765 1.00 0.00 C ATOM 395 O VAL A 26 -10.008 -6.919 -5.519 1.00 0.00 O ATOM 396 CB VAL A 26 -9.556 -5.201 -8.093 1.00 0.00 C ATOM 397 CG1 VAL A 26 -8.705 -6.472 -8.036 1.00 0.00 C ATOM 398 CG2 VAL A 26 -10.046 -4.983 -9.526 1.00 0.00 C ATOM 0 H VAL A 26 -10.930 -3.227 -7.400 1.00 0.00 H new ATOM 0 HA VAL A 26 -11.441 -6.094 -7.554 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.953 -4.350 -7.777 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.849 -6.367 -8.703 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.353 -6.629 -7.016 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.306 -7.326 -8.348 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.189 -4.885 -10.193 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.652 -5.834 -9.837 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -10.647 -4.075 -9.571 1.00 0.00 H new ATOM 408 N ALA A 27 -10.204 -4.835 -4.849 1.00 0.00 N ATOM 409 CA ALA A 27 -9.752 -5.189 -3.474 1.00 0.00 C ATOM 410 C ALA A 27 -10.742 -6.176 -2.860 1.00 0.00 C ATOM 411 O ALA A 27 -10.368 -7.078 -2.138 1.00 0.00 O ATOM 412 CB ALA A 27 -9.685 -3.926 -2.614 1.00 0.00 C ATOM 0 H ALA A 27 -10.426 -3.850 -4.994 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.762 -5.643 -3.519 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.354 -4.187 -1.609 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.980 -3.222 -3.056 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -10.673 -3.468 -2.563 1.00 0.00 H new ATOM 418 N LYS A 28 -12.005 -6.018 -3.146 1.00 0.00 N ATOM 419 CA LYS A 28 -13.015 -6.953 -2.583 1.00 0.00 C ATOM 420 C LYS A 28 -12.857 -8.318 -3.254 1.00 0.00 C ATOM 421 O LYS A 28 -13.149 -9.345 -2.673 1.00 0.00 O ATOM 422 CB LYS A 28 -14.420 -6.405 -2.846 1.00 0.00 C ATOM 423 CG LYS A 28 -14.597 -5.082 -2.087 1.00 0.00 C ATOM 424 CD LYS A 28 -15.896 -4.381 -2.529 1.00 0.00 C ATOM 425 CE LYS A 28 -15.647 -3.546 -3.792 1.00 0.00 C ATOM 426 NZ LYS A 28 -16.881 -2.784 -4.132 1.00 0.00 N ATOM 0 H LYS A 28 -12.379 -5.282 -3.745 1.00 0.00 H new ATOM 0 HA LYS A 28 -12.868 -7.055 -1.508 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -14.568 -6.248 -3.914 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -15.171 -7.126 -2.523 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.625 -5.272 -1.014 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -13.743 -4.431 -2.273 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -16.670 -5.123 -2.722 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -16.262 -3.740 -1.727 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -14.816 -2.860 -3.630 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -15.367 -4.195 -4.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -16.714 -2.217 -4.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -17.663 -3.448 -4.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -17.129 -2.154 -3.342 1.00 0.00 H new ATOM 440 N LYS A 29 -12.387 -8.336 -4.473 1.00 0.00 N ATOM 441 CA LYS A 29 -12.198 -9.633 -5.181 1.00 0.00 C ATOM 442 C LYS A 29 -11.128 -10.448 -4.447 1.00 0.00 C ATOM 443 O LYS A 29 -10.812 -11.562 -4.819 1.00 0.00 O ATOM 444 CB LYS A 29 -11.756 -9.363 -6.626 1.00 0.00 C ATOM 445 CG LYS A 29 -12.038 -10.593 -7.496 1.00 0.00 C ATOM 446 CD LYS A 29 -11.342 -10.436 -8.851 1.00 0.00 C ATOM 447 CE LYS A 29 -11.792 -9.132 -9.515 1.00 0.00 C ATOM 448 NZ LYS A 29 -13.253 -8.935 -9.289 1.00 0.00 N ATOM 0 H LYS A 29 -12.126 -7.508 -5.008 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.133 -10.193 -5.195 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -12.287 -8.497 -7.022 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.693 -9.124 -6.652 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.682 -11.494 -6.996 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -13.112 -10.711 -7.639 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.260 -10.432 -8.717 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -11.581 -11.284 -9.493 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.233 -8.291 -9.104 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.580 -9.164 -10.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -13.630 -8.280 -10.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -13.743 -9.849 -9.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.407 -8.538 -8.340 1.00 0.00 H new ATOM 462 N GLN A 30 -10.569 -9.895 -3.404 1.00 0.00 N ATOM 463 CA GLN A 30 -9.518 -10.620 -2.631 1.00 0.00 C ATOM 464 C GLN A 30 -9.573 -10.161 -1.173 1.00 0.00 C ATOM 465 O GLN A 30 -9.850 -10.934 -0.278 1.00 0.00 O ATOM 466 CB GLN A 30 -8.141 -10.301 -3.217 1.00 0.00 C ATOM 467 CG GLN A 30 -8.061 -10.831 -4.650 1.00 0.00 C ATOM 468 CD GLN A 30 -6.609 -10.792 -5.128 1.00 0.00 C ATOM 469 OE1 GLN A 30 -5.878 -11.750 -4.968 1.00 0.00 O ATOM 470 NE2 GLN A 30 -6.155 -9.716 -5.712 1.00 0.00 N ATOM 0 H GLN A 30 -10.797 -8.965 -3.052 1.00 0.00 H new ATOM 0 HA GLN A 30 -9.691 -11.695 -2.688 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -7.970 -9.225 -3.206 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.360 -10.754 -2.606 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.442 -11.851 -4.693 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -8.688 -10.228 -5.307 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -6.768 -8.912 -5.847 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.188 -9.680 -6.034 1.00 0.00 H new ATOM 479 N GLY A 31 -9.322 -8.901 -0.929 1.00 0.00 N ATOM 480 CA GLY A 31 -9.371 -8.378 0.468 1.00 0.00 C ATOM 481 C GLY A 31 -7.977 -8.417 1.097 1.00 0.00 C ATOM 482 O GLY A 31 -7.795 -8.918 2.188 1.00 0.00 O ATOM 0 H GLY A 31 -9.084 -8.210 -1.640 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.749 -7.356 0.468 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.063 -8.974 1.063 1.00 0.00 H new ATOM 486 N TRP A 32 -6.990 -7.884 0.426 1.00 0.00 N ATOM 487 CA TRP A 32 -5.616 -7.889 1.004 1.00 0.00 C ATOM 488 C TRP A 32 -5.674 -7.369 2.442 1.00 0.00 C ATOM 489 O TRP A 32 -6.475 -6.517 2.768 1.00 0.00 O ATOM 490 CB TRP A 32 -4.703 -6.981 0.177 1.00 0.00 C ATOM 491 CG TRP A 32 -4.818 -7.328 -1.272 1.00 0.00 C ATOM 492 CD1 TRP A 32 -4.578 -8.550 -1.799 1.00 0.00 C ATOM 493 CD2 TRP A 32 -5.151 -6.456 -2.389 1.00 0.00 C ATOM 494 NE1 TRP A 32 -4.767 -8.494 -3.169 1.00 0.00 N ATOM 495 CE2 TRP A 32 -5.116 -7.224 -3.585 1.00 0.00 C ATOM 496 CE3 TRP A 32 -5.485 -5.085 -2.484 1.00 0.00 C ATOM 497 CZ2 TRP A 32 -5.401 -6.651 -4.832 1.00 0.00 C ATOM 498 CZ3 TRP A 32 -5.770 -4.504 -3.738 1.00 0.00 C ATOM 499 CH2 TRP A 32 -5.729 -5.286 -4.909 1.00 0.00 C ATOM 0 H TRP A 32 -7.076 -7.448 -0.492 1.00 0.00 H new ATOM 0 HA TRP A 32 -5.222 -8.905 0.991 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -4.976 -5.937 0.333 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -3.670 -7.093 0.506 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -4.286 -9.428 -1.241 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.661 -9.293 -3.795 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -5.522 -4.479 -1.591 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -5.369 -7.254 -5.728 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -6.021 -3.455 -3.800 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -5.950 -4.837 -5.866 1.00 0.00 H new ATOM 510 N GLN A 33 -4.832 -7.870 3.305 1.00 0.00 N ATOM 511 CA GLN A 33 -4.846 -7.393 4.718 1.00 0.00 C ATOM 512 C GLN A 33 -4.771 -5.865 4.732 1.00 0.00 C ATOM 513 O GLN A 33 -3.702 -5.288 4.753 1.00 0.00 O ATOM 514 CB GLN A 33 -3.642 -7.970 5.467 1.00 0.00 C ATOM 515 CG GLN A 33 -3.694 -7.530 6.931 1.00 0.00 C ATOM 516 CD GLN A 33 -2.639 -8.294 7.733 1.00 0.00 C ATOM 517 OE1 GLN A 33 -2.810 -8.529 8.913 1.00 0.00 O ATOM 518 NE2 GLN A 33 -1.549 -8.693 7.139 1.00 0.00 N ATOM 0 H GLN A 33 -4.137 -8.586 3.094 1.00 0.00 H new ATOM 0 HA GLN A 33 -5.764 -7.721 5.206 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.647 -9.058 5.403 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.715 -7.628 5.006 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -3.516 -6.457 7.006 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.685 -7.718 7.343 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.406 -8.495 6.149 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.839 -9.203 7.665 1.00 0.00 H new ATOM 527 N ASN A 34 -5.902 -5.206 4.710 1.00 0.00 N ATOM 528 CA ASN A 34 -5.909 -3.710 4.710 1.00 0.00 C ATOM 529 C ASN A 34 -6.188 -3.187 6.121 1.00 0.00 C ATOM 530 O ASN A 34 -7.209 -3.478 6.711 1.00 0.00 O ATOM 531 CB ASN A 34 -7.008 -3.210 3.759 1.00 0.00 C ATOM 532 CG ASN A 34 -8.245 -4.101 3.898 1.00 0.00 C ATOM 533 OD1 ASN A 34 -8.924 -4.066 4.905 1.00 0.00 O ATOM 534 ND2 ASN A 34 -8.567 -4.903 2.920 1.00 0.00 N ATOM 0 H ASN A 34 -6.825 -5.641 4.692 1.00 0.00 H new ATOM 0 HA ASN A 34 -4.936 -3.347 4.379 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -7.263 -2.176 3.992 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -6.649 -3.226 2.730 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -9.389 -5.501 3.001 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -7.996 -4.932 2.075 1.00 0.00 H new ATOM 541 N ARG A 35 -5.297 -2.396 6.659 1.00 0.00 N ATOM 542 CA ARG A 35 -5.526 -1.833 8.023 1.00 0.00 C ATOM 543 C ARG A 35 -6.387 -0.573 7.874 1.00 0.00 C ATOM 544 O ARG A 35 -6.104 0.288 7.065 1.00 0.00 O ATOM 545 CB ARG A 35 -4.166 -1.478 8.673 1.00 0.00 C ATOM 546 CG ARG A 35 -3.721 -2.590 9.641 1.00 0.00 C ATOM 547 CD ARG A 35 -4.404 -2.409 11.002 1.00 0.00 C ATOM 548 NE ARG A 35 -4.119 -3.594 11.859 1.00 0.00 N ATOM 549 CZ ARG A 35 -4.341 -3.538 13.144 1.00 0.00 C ATOM 550 NH1 ARG A 35 -4.816 -2.447 13.677 1.00 0.00 N ATOM 551 NH2 ARG A 35 -4.087 -4.575 13.895 1.00 0.00 N ATOM 0 H ARG A 35 -4.423 -2.116 6.214 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.032 -2.559 8.659 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.412 -1.339 7.898 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -4.249 -0.533 9.210 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -3.973 -3.566 9.226 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -2.638 -2.565 9.763 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -4.042 -1.501 11.485 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -5.480 -2.292 10.869 1.00 0.00 H new ATOM 0 HE ARG A 35 -3.751 -4.449 11.442 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.014 -1.637 13.090 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.989 -2.404 14.681 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.715 -5.428 13.478 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -4.260 -4.532 14.899 1.00 0.00 H new ATOM 565 N THR A 36 -7.440 -0.459 8.641 1.00 0.00 N ATOM 566 CA THR A 36 -8.318 0.746 8.531 1.00 0.00 C ATOM 567 C THR A 36 -7.836 1.815 9.511 1.00 0.00 C ATOM 568 O THR A 36 -7.744 1.586 10.701 1.00 0.00 O ATOM 569 CB THR A 36 -9.779 0.355 8.871 1.00 0.00 C ATOM 570 OG1 THR A 36 -9.864 -1.057 9.004 1.00 0.00 O ATOM 571 CG2 THR A 36 -10.742 0.815 7.767 1.00 0.00 C ATOM 0 H THR A 36 -7.730 -1.146 9.337 1.00 0.00 H new ATOM 0 HA THR A 36 -8.275 1.136 7.514 1.00 0.00 H new ATOM 0 HB THR A 36 -10.061 0.843 9.804 1.00 0.00 H new ATOM 0 HG1 THR A 36 -10.786 -1.310 9.221 1.00 0.00 H new ATOM 0 HG21 THR A 36 -11.760 0.528 8.030 1.00 0.00 H new ATOM 0 HG22 THR A 36 -10.685 1.899 7.663 1.00 0.00 H new ATOM 0 HG23 THR A 36 -10.465 0.345 6.823 1.00 0.00 H new ATOM 579 N ARG A 37 -7.556 2.988 9.024 1.00 0.00 N ATOM 580 CA ARG A 37 -7.114 4.081 9.929 1.00 0.00 C ATOM 581 C ARG A 37 -8.355 4.853 10.380 1.00 0.00 C ATOM 582 O ARG A 37 -9.473 4.478 10.088 1.00 0.00 O ATOM 583 CB ARG A 37 -6.160 5.018 9.171 1.00 0.00 C ATOM 584 CG ARG A 37 -4.733 4.437 9.168 1.00 0.00 C ATOM 585 CD ARG A 37 -3.990 4.847 10.448 1.00 0.00 C ATOM 586 NE ARG A 37 -2.582 4.367 10.375 1.00 0.00 N ATOM 587 CZ ARG A 37 -1.687 4.844 11.198 1.00 0.00 C ATOM 588 NH1 ARG A 37 -2.027 5.738 12.084 1.00 0.00 N ATOM 589 NH2 ARG A 37 -0.453 4.425 11.132 1.00 0.00 N ATOM 0 H ARG A 37 -7.614 3.238 8.037 1.00 0.00 H new ATOM 0 HA ARG A 37 -6.591 3.675 10.795 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -6.508 5.152 8.147 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -6.158 6.003 9.638 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -4.775 3.350 9.096 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -4.189 4.794 8.293 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -4.011 5.931 10.563 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.486 4.424 11.322 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.317 3.666 9.683 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -2.992 6.065 12.134 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.328 6.111 12.727 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -0.188 3.726 10.438 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.247 4.797 11.774 1.00 0.00 H new ATOM 603 N ALA A 38 -8.166 5.925 11.082 1.00 0.00 N ATOM 604 CA ALA A 38 -9.329 6.726 11.552 1.00 0.00 C ATOM 605 C ALA A 38 -8.840 8.094 12.027 1.00 0.00 C ATOM 606 O ALA A 38 -9.060 8.488 13.154 1.00 0.00 O ATOM 607 CB ALA A 38 -10.019 5.999 12.708 1.00 0.00 C ATOM 0 H ALA A 38 -7.252 6.287 11.355 1.00 0.00 H new ATOM 0 HA ALA A 38 -10.038 6.855 10.734 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -10.870 6.587 13.051 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -10.365 5.023 12.369 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -9.314 5.869 13.529 1.00 0.00 H new ATOM 613 N GLY A 39 -8.176 8.822 11.171 1.00 0.00 N ATOM 614 CA GLY A 39 -7.670 10.165 11.567 1.00 0.00 C ATOM 615 C GLY A 39 -6.760 10.714 10.469 1.00 0.00 C ATOM 616 O GLY A 39 -6.786 11.889 10.157 1.00 0.00 O ATOM 0 H GLY A 39 -7.962 8.543 10.213 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.505 10.845 11.735 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.122 10.096 12.507 1.00 0.00 H new ATOM 620 N VAL A 40 -5.952 9.876 9.877 1.00 0.00 N ATOM 621 CA VAL A 40 -5.043 10.349 8.800 1.00 0.00 C ATOM 622 C VAL A 40 -5.840 11.167 7.782 1.00 0.00 C ATOM 623 O VAL A 40 -5.283 11.854 6.949 1.00 0.00 O ATOM 624 CB VAL A 40 -4.417 9.139 8.110 1.00 0.00 C ATOM 625 CG1 VAL A 40 -3.592 8.345 9.124 1.00 0.00 C ATOM 626 CG2 VAL A 40 -5.523 8.246 7.544 1.00 0.00 C ATOM 0 H VAL A 40 -5.884 8.882 10.095 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.259 10.974 9.226 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.771 9.477 7.299 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.145 7.481 8.632 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.804 8.980 9.529 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -4.238 8.007 9.934 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.077 7.382 7.051 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -6.168 7.908 8.355 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.113 8.811 6.822 1.00 0.00 H new ATOM 636 N LYS A 41 -7.141 11.098 7.846 1.00 0.00 N ATOM 637 CA LYS A 41 -7.980 11.869 6.888 1.00 0.00 C ATOM 638 C LYS A 41 -9.392 12.021 7.458 1.00 0.00 C ATOM 639 O LYS A 41 -10.062 13.009 7.228 1.00 0.00 O ATOM 640 CB LYS A 41 -8.044 11.128 5.552 1.00 0.00 C ATOM 641 CG LYS A 41 -9.000 11.860 4.608 1.00 0.00 C ATOM 642 CD LYS A 41 -8.843 11.311 3.190 1.00 0.00 C ATOM 643 CE LYS A 41 -9.668 12.161 2.219 1.00 0.00 C ATOM 644 NZ LYS A 41 -10.928 12.593 2.886 1.00 0.00 N ATOM 0 H LYS A 41 -7.660 10.539 8.523 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.542 12.855 6.733 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -7.050 11.071 5.108 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.383 10.104 5.708 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.029 11.733 4.946 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.790 12.930 4.620 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.793 11.323 2.898 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.173 10.273 3.152 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.094 13.032 1.903 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -9.897 11.587 1.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -11.615 12.897 2.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -11.324 11.799 3.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.726 13.385 3.529 1.00 0.00 H new ATOM 658 N GLY A 42 -9.851 11.047 8.201 1.00 0.00 N ATOM 659 CA GLY A 42 -11.222 11.126 8.792 1.00 0.00 C ATOM 660 C GLY A 42 -12.208 10.382 7.891 1.00 0.00 C ATOM 661 O GLY A 42 -12.073 10.367 6.684 1.00 0.00 O ATOM 0 H GLY A 42 -9.334 10.197 8.425 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.225 10.690 9.791 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.525 12.168 8.898 1.00 0.00 H new ATOM 665 N GLY A 43 -13.204 9.764 8.470 1.00 0.00 N ATOM 666 CA GLY A 43 -14.205 9.019 7.652 1.00 0.00 C ATOM 667 C GLY A 43 -13.736 7.576 7.451 1.00 0.00 C ATOM 668 O GLY A 43 -14.067 6.940 6.470 1.00 0.00 O ATOM 0 H GLY A 43 -13.367 9.743 9.477 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -15.175 9.030 8.148 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -14.335 9.507 6.686 1.00 0.00 H new ATOM 672 N LYS A 44 -12.970 7.054 8.371 1.00 0.00 N ATOM 673 CA LYS A 44 -12.485 5.653 8.230 1.00 0.00 C ATOM 674 C LYS A 44 -11.791 5.487 6.877 1.00 0.00 C ATOM 675 O LYS A 44 -12.421 5.233 5.870 1.00 0.00 O ATOM 676 CB LYS A 44 -13.673 4.688 8.320 1.00 0.00 C ATOM 677 CG LYS A 44 -13.164 3.245 8.339 1.00 0.00 C ATOM 678 CD LYS A 44 -14.287 2.310 8.802 1.00 0.00 C ATOM 679 CE LYS A 44 -15.537 2.534 7.945 1.00 0.00 C ATOM 680 NZ LYS A 44 -16.251 3.755 8.416 1.00 0.00 N ATOM 0 H LYS A 44 -12.660 7.538 9.214 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.778 5.431 9.029 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -14.252 4.892 9.221 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -14.341 4.837 7.471 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -12.823 2.956 7.345 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -12.307 3.160 9.007 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -13.963 1.272 8.725 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -14.517 2.495 9.851 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -15.257 2.645 6.897 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -16.195 1.667 8.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -17.264 3.545 8.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -15.859 4.055 9.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -16.129 4.518 7.720 1.00 0.00 H new ATOM 694 N ALA A 45 -10.494 5.628 6.850 1.00 0.00 N ATOM 695 CA ALA A 45 -9.748 5.479 5.566 1.00 0.00 C ATOM 696 C ALA A 45 -9.391 4.004 5.361 1.00 0.00 C ATOM 697 O ALA A 45 -9.978 3.130 5.965 1.00 0.00 O ATOM 698 CB ALA A 45 -8.467 6.315 5.630 1.00 0.00 C ATOM 0 H ALA A 45 -9.916 5.841 7.663 1.00 0.00 H new ATOM 0 HA ALA A 45 -10.364 5.822 4.735 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -7.917 6.210 4.695 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.724 7.363 5.785 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -7.847 5.968 6.456 1.00 0.00 H new ATOM 704 N ILE A 46 -8.437 3.713 4.516 1.00 0.00 N ATOM 705 CA ILE A 46 -8.055 2.286 4.283 1.00 0.00 C ATOM 706 C ILE A 46 -6.575 2.206 3.902 1.00 0.00 C ATOM 707 O ILE A 46 -5.966 3.184 3.515 1.00 0.00 O ATOM 708 CB ILE A 46 -8.904 1.705 3.148 1.00 0.00 C ATOM 709 CG1 ILE A 46 -8.596 0.207 2.994 1.00 0.00 C ATOM 710 CG2 ILE A 46 -8.583 2.439 1.843 1.00 0.00 C ATOM 711 CD1 ILE A 46 -9.661 -0.461 2.118 1.00 0.00 C ATOM 0 H ILE A 46 -7.906 4.398 3.978 1.00 0.00 H new ATOM 0 HA ILE A 46 -8.227 1.715 5.195 1.00 0.00 H new ATOM 0 HB ILE A 46 -9.961 1.832 3.380 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.611 0.074 2.547 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -8.569 -0.269 3.974 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -9.187 2.026 1.035 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -8.807 3.500 1.958 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -7.526 2.315 1.606 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -9.434 -1.522 2.015 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -10.640 -0.343 2.582 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -9.667 0.006 1.133 1.00 0.00 H new ATOM 723 N GLU A 47 -5.996 1.040 4.005 1.00 0.00 N ATOM 724 CA GLU A 47 -4.557 0.869 3.649 1.00 0.00 C ATOM 725 C GLU A 47 -4.353 -0.544 3.098 1.00 0.00 C ATOM 726 O GLU A 47 -5.242 -1.367 3.157 1.00 0.00 O ATOM 727 CB GLU A 47 -3.696 1.062 4.903 1.00 0.00 C ATOM 728 CG GLU A 47 -3.558 2.555 5.206 1.00 0.00 C ATOM 729 CD GLU A 47 -2.662 2.749 6.431 1.00 0.00 C ATOM 730 OE1 GLU A 47 -2.824 2.002 7.382 1.00 0.00 O ATOM 731 OE2 GLU A 47 -1.831 3.641 6.398 1.00 0.00 O ATOM 0 H GLU A 47 -6.463 0.191 4.323 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.267 1.605 2.899 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.150 0.549 5.751 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.712 0.619 4.752 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.133 3.073 4.346 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.540 2.992 5.388 1.00 0.00 H new ATOM 738 N TYR A 48 -3.197 -0.830 2.554 1.00 0.00 N ATOM 739 CA TYR A 48 -2.937 -2.197 1.992 1.00 0.00 C ATOM 740 C TYR A 48 -1.551 -2.682 2.427 1.00 0.00 C ATOM 741 O TYR A 48 -0.558 -2.016 2.217 1.00 0.00 O ATOM 742 CB TYR A 48 -2.996 -2.138 0.466 1.00 0.00 C ATOM 743 CG TYR A 48 -4.397 -1.773 0.034 1.00 0.00 C ATOM 744 CD1 TYR A 48 -5.460 -2.663 0.280 1.00 0.00 C ATOM 745 CD2 TYR A 48 -4.641 -0.546 -0.614 1.00 0.00 C ATOM 746 CE1 TYR A 48 -6.768 -2.325 -0.120 1.00 0.00 C ATOM 747 CE2 TYR A 48 -5.947 -0.210 -1.013 1.00 0.00 C ATOM 748 CZ TYR A 48 -7.011 -1.099 -0.767 1.00 0.00 C ATOM 749 OH TYR A 48 -8.291 -0.767 -1.160 1.00 0.00 O ATOM 0 H TYR A 48 -2.418 -0.176 2.473 1.00 0.00 H new ATOM 0 HA TYR A 48 -3.694 -2.888 2.363 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.284 -1.402 0.091 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -2.712 -3.101 0.042 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -5.273 -3.604 0.775 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -3.826 0.136 -0.804 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -7.584 -3.007 0.070 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -6.134 0.731 -1.509 1.00 0.00 H new ATOM 0 HH TYR A 48 -8.283 0.113 -1.591 1.00 0.00 H new ATOM 759 N ASN A 49 -1.474 -3.842 3.019 1.00 0.00 N ATOM 760 CA ASN A 49 -0.149 -4.366 3.454 1.00 0.00 C ATOM 761 C ASN A 49 0.600 -4.904 2.230 1.00 0.00 C ATOM 762 O ASN A 49 0.139 -5.798 1.548 1.00 0.00 O ATOM 763 CB ASN A 49 -0.354 -5.486 4.475 1.00 0.00 C ATOM 764 CG ASN A 49 0.975 -5.790 5.171 1.00 0.00 C ATOM 765 OD1 ASN A 49 2.006 -5.271 4.790 1.00 0.00 O ATOM 766 ND2 ASN A 49 0.994 -6.615 6.181 1.00 0.00 N ATOM 0 H ASN A 49 -2.269 -4.448 3.220 1.00 0.00 H new ATOM 0 HA ASN A 49 0.434 -3.569 3.915 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -1.103 -5.190 5.210 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -0.730 -6.381 3.979 1.00 0.00 H new ATOM 0 HD21 ASN A 49 1.874 -6.825 6.652 1.00 0.00 H new ATOM 0 HD22 ASN A 49 0.129 -7.050 6.500 1.00 0.00 H new ATOM 773 N ALA A 50 1.745 -4.349 1.938 1.00 0.00 N ATOM 774 CA ALA A 50 2.524 -4.798 0.748 1.00 0.00 C ATOM 775 C ALA A 50 2.793 -6.307 0.804 1.00 0.00 C ATOM 776 O ALA A 50 3.016 -6.938 -0.210 1.00 0.00 O ATOM 777 CB ALA A 50 3.858 -4.051 0.708 1.00 0.00 C ATOM 0 H ALA A 50 2.177 -3.598 2.477 1.00 0.00 H new ATOM 0 HA ALA A 50 1.942 -4.583 -0.148 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.431 -4.376 -0.160 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.673 -2.979 0.640 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.422 -4.265 1.616 1.00 0.00 H new ATOM 783 N ASN A 51 2.793 -6.894 1.969 1.00 0.00 N ATOM 784 CA ASN A 51 3.070 -8.358 2.057 1.00 0.00 C ATOM 785 C ASN A 51 1.889 -9.153 1.489 1.00 0.00 C ATOM 786 O ASN A 51 2.023 -10.306 1.128 1.00 0.00 O ATOM 787 CB ASN A 51 3.315 -8.750 3.521 1.00 0.00 C ATOM 788 CG ASN A 51 1.995 -8.746 4.299 1.00 0.00 C ATOM 789 OD1 ASN A 51 1.895 -9.349 5.351 1.00 0.00 O ATOM 790 ND2 ASN A 51 0.974 -8.089 3.827 1.00 0.00 N ATOM 0 H ASN A 51 2.615 -6.428 2.859 1.00 0.00 H new ATOM 0 HA ASN A 51 3.960 -8.589 1.471 1.00 0.00 H new ATOM 0 HB2 ASN A 51 3.770 -9.739 3.569 1.00 0.00 H new ATOM 0 HB3 ASN A 51 4.017 -8.053 3.979 1.00 0.00 H new ATOM 0 HD21 ASN A 51 0.092 -8.080 4.339 1.00 0.00 H new ATOM 0 HD22 ASN A 51 1.057 -7.583 2.945 1.00 0.00 H new ATOM 797 N SER A 52 0.730 -8.553 1.414 1.00 0.00 N ATOM 798 CA SER A 52 -0.461 -9.279 0.878 1.00 0.00 C ATOM 799 C SER A 52 -0.570 -9.062 -0.635 1.00 0.00 C ATOM 800 O SER A 52 -1.213 -9.822 -1.332 1.00 0.00 O ATOM 801 CB SER A 52 -1.718 -8.749 1.562 1.00 0.00 C ATOM 802 OG SER A 52 -1.760 -9.224 2.901 1.00 0.00 O ATOM 0 H SER A 52 0.556 -7.590 1.701 1.00 0.00 H new ATOM 0 HA SER A 52 -0.354 -10.346 1.075 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.720 -7.659 1.550 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.606 -9.075 1.020 1.00 0.00 H new ATOM 0 HG SER A 52 -2.482 -9.880 2.993 1.00 0.00 H new ATOM 808 N LEU A 53 0.049 -8.034 -1.151 1.00 0.00 N ATOM 809 CA LEU A 53 -0.031 -7.780 -2.619 1.00 0.00 C ATOM 810 C LEU A 53 0.724 -8.900 -3.367 1.00 0.00 C ATOM 811 O LEU A 53 1.688 -9.420 -2.843 1.00 0.00 O ATOM 812 CB LEU A 53 0.629 -6.431 -2.936 1.00 0.00 C ATOM 813 CG LEU A 53 -0.092 -5.294 -2.201 1.00 0.00 C ATOM 814 CD1 LEU A 53 0.607 -3.971 -2.526 1.00 0.00 C ATOM 815 CD2 LEU A 53 -1.564 -5.218 -2.647 1.00 0.00 C ATOM 0 H LEU A 53 0.604 -7.362 -0.622 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.075 -7.762 -2.933 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.678 -6.455 -2.641 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.604 -6.251 -4.011 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.060 -5.482 -1.128 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.102 -3.156 -2.008 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.646 -4.019 -2.201 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.571 -3.795 -3.601 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.063 -4.407 -2.117 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.610 -5.033 -3.720 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.062 -6.160 -2.420 1.00 0.00 H new ATOM 827 N PRO A 54 0.291 -9.246 -4.572 1.00 0.00 N ATOM 828 CA PRO A 54 0.975 -10.301 -5.349 1.00 0.00 C ATOM 829 C PRO A 54 2.449 -9.919 -5.554 1.00 0.00 C ATOM 830 O PRO A 54 3.007 -9.142 -4.806 1.00 0.00 O ATOM 831 CB PRO A 54 0.214 -10.366 -6.696 1.00 0.00 C ATOM 832 CG PRO A 54 -0.884 -9.263 -6.665 1.00 0.00 C ATOM 833 CD PRO A 54 -0.879 -8.643 -5.250 1.00 0.00 C ATOM 0 HA PRO A 54 0.970 -11.268 -4.847 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.897 -10.205 -7.530 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -0.234 -11.350 -6.836 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -0.683 -8.501 -7.418 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -1.861 -9.688 -6.894 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -0.793 -7.557 -5.295 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -1.803 -8.868 -4.717 1.00 0.00 H new ATOM 841 N VAL A 55 3.081 -10.463 -6.561 1.00 0.00 N ATOM 842 CA VAL A 55 4.516 -10.136 -6.818 1.00 0.00 C ATOM 843 C VAL A 55 4.608 -8.972 -7.809 1.00 0.00 C ATOM 844 O VAL A 55 5.426 -8.086 -7.664 1.00 0.00 O ATOM 845 CB VAL A 55 5.214 -11.361 -7.411 1.00 0.00 C ATOM 846 CG1 VAL A 55 6.718 -11.096 -7.506 1.00 0.00 C ATOM 847 CG2 VAL A 55 4.967 -12.573 -6.511 1.00 0.00 C ATOM 0 H VAL A 55 2.664 -11.122 -7.219 1.00 0.00 H new ATOM 0 HA VAL A 55 4.998 -9.854 -5.882 1.00 0.00 H new ATOM 0 HB VAL A 55 4.816 -11.559 -8.406 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.215 -11.969 -7.929 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.895 -10.232 -8.146 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.116 -10.898 -6.511 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.464 -13.447 -6.933 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.365 -12.374 -5.516 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.896 -12.763 -6.442 1.00 0.00 H new ATOM 857 N GLU A 56 3.779 -8.969 -8.817 1.00 0.00 N ATOM 858 CA GLU A 56 3.826 -7.863 -9.817 1.00 0.00 C ATOM 859 C GLU A 56 3.600 -6.524 -9.113 1.00 0.00 C ATOM 860 O GLU A 56 4.223 -5.531 -9.433 1.00 0.00 O ATOM 861 CB GLU A 56 2.738 -8.074 -10.876 1.00 0.00 C ATOM 862 CG GLU A 56 1.418 -8.456 -10.200 1.00 0.00 C ATOM 863 CD GLU A 56 0.333 -8.631 -11.264 1.00 0.00 C ATOM 864 OE1 GLU A 56 0.607 -8.338 -12.415 1.00 0.00 O ATOM 865 OE2 GLU A 56 -0.754 -9.056 -10.908 1.00 0.00 O ATOM 0 H GLU A 56 3.072 -9.683 -8.992 1.00 0.00 H new ATOM 0 HA GLU A 56 4.803 -7.859 -10.300 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.607 -7.164 -11.461 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.041 -8.858 -11.570 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.540 -9.380 -9.635 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.124 -7.684 -9.489 1.00 0.00 H new ATOM 872 N ALA A 57 2.712 -6.485 -8.159 1.00 0.00 N ATOM 873 CA ALA A 57 2.448 -5.209 -7.439 1.00 0.00 C ATOM 874 C ALA A 57 3.531 -4.988 -6.381 1.00 0.00 C ATOM 875 O ALA A 57 4.038 -3.895 -6.217 1.00 0.00 O ATOM 876 CB ALA A 57 1.075 -5.283 -6.765 1.00 0.00 C ATOM 0 H ALA A 57 2.158 -7.282 -7.847 1.00 0.00 H new ATOM 0 HA ALA A 57 2.461 -4.379 -8.146 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.878 -4.350 -6.237 1.00 0.00 H new ATOM 0 HB2 ALA A 57 0.306 -5.441 -7.522 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.062 -6.111 -6.056 1.00 0.00 H new ATOM 882 N LYS A 58 3.893 -6.017 -5.664 1.00 0.00 N ATOM 883 CA LYS A 58 4.944 -5.863 -4.621 1.00 0.00 C ATOM 884 C LYS A 58 6.246 -5.397 -5.276 1.00 0.00 C ATOM 885 O LYS A 58 6.723 -4.310 -5.026 1.00 0.00 O ATOM 886 CB LYS A 58 5.173 -7.208 -3.927 1.00 0.00 C ATOM 887 CG LYS A 58 6.161 -7.028 -2.767 1.00 0.00 C ATOM 888 CD LYS A 58 6.411 -8.376 -2.072 1.00 0.00 C ATOM 889 CE LYS A 58 5.292 -8.672 -1.068 1.00 0.00 C ATOM 890 NZ LYS A 58 5.629 -9.904 -0.301 1.00 0.00 N ATOM 0 H LYS A 58 3.506 -6.956 -5.756 1.00 0.00 H new ATOM 0 HA LYS A 58 4.623 -5.125 -3.886 1.00 0.00 H new ATOM 0 HB2 LYS A 58 4.227 -7.602 -3.555 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.562 -7.935 -4.640 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.102 -6.622 -3.140 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.765 -6.308 -2.050 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.462 -9.172 -2.815 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.373 -8.356 -1.560 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.166 -7.830 -0.388 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.345 -8.803 -1.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.809 -10.193 0.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.877 -10.668 -0.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.437 -9.713 0.326 1.00 0.00 H new ATOM 904 N ALA A 59 6.824 -6.212 -6.116 1.00 0.00 N ATOM 905 CA ALA A 59 8.093 -5.811 -6.786 1.00 0.00 C ATOM 906 C ALA A 59 7.933 -4.417 -7.394 1.00 0.00 C ATOM 907 O ALA A 59 8.794 -3.570 -7.266 1.00 0.00 O ATOM 908 CB ALA A 59 8.425 -6.816 -7.892 1.00 0.00 C ATOM 0 H ALA A 59 6.473 -7.136 -6.367 1.00 0.00 H new ATOM 0 HA ALA A 59 8.900 -5.796 -6.054 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.353 -6.523 -8.383 1.00 0.00 H new ATOM 0 HB2 ALA A 59 8.541 -7.809 -7.458 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.617 -6.832 -8.624 1.00 0.00 H new ATOM 914 N ALA A 60 6.836 -4.170 -8.057 1.00 0.00 N ATOM 915 CA ALA A 60 6.625 -2.829 -8.674 1.00 0.00 C ATOM 916 C ALA A 60 6.506 -1.775 -7.573 1.00 0.00 C ATOM 917 O ALA A 60 6.895 -0.637 -7.745 1.00 0.00 O ATOM 918 CB ALA A 60 5.340 -2.848 -9.505 1.00 0.00 C ATOM 0 H ALA A 60 6.078 -4.838 -8.198 1.00 0.00 H new ATOM 0 HA ALA A 60 7.470 -2.587 -9.318 1.00 0.00 H new ATOM 0 HB1 ALA A 60 5.184 -1.868 -9.957 1.00 0.00 H new ATOM 0 HB2 ALA A 60 5.425 -3.600 -10.290 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.494 -3.089 -8.861 1.00 0.00 H new ATOM 924 N LEU A 61 5.974 -2.144 -6.441 1.00 0.00 N ATOM 925 CA LEU A 61 5.836 -1.162 -5.330 1.00 0.00 C ATOM 926 C LEU A 61 7.229 -0.686 -4.905 1.00 0.00 C ATOM 927 O LEU A 61 7.400 0.421 -4.435 1.00 0.00 O ATOM 928 CB LEU A 61 5.128 -1.832 -4.143 1.00 0.00 C ATOM 929 CG LEU A 61 4.807 -0.792 -3.048 1.00 0.00 C ATOM 930 CD1 LEU A 61 3.492 -0.072 -3.366 1.00 0.00 C ATOM 931 CD2 LEU A 61 4.673 -1.500 -1.695 1.00 0.00 C ATOM 0 H LEU A 61 5.629 -3.082 -6.238 1.00 0.00 H new ATOM 0 HA LEU A 61 5.247 -0.307 -5.661 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.208 -2.308 -4.482 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.760 -2.619 -3.732 1.00 0.00 H new ATOM 0 HG LEU A 61 5.616 -0.062 -3.011 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.279 0.658 -2.585 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.579 0.438 -4.325 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.681 -0.799 -3.414 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.446 -0.766 -0.921 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.868 -2.234 -1.746 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.609 -2.004 -1.454 1.00 0.00 H new ATOM 943 N LEU A 62 8.227 -1.512 -5.071 1.00 0.00 N ATOM 944 CA LEU A 62 9.605 -1.100 -4.678 1.00 0.00 C ATOM 945 C LEU A 62 10.133 -0.068 -5.678 1.00 0.00 C ATOM 946 O LEU A 62 10.676 0.951 -5.302 1.00 0.00 O ATOM 947 CB LEU A 62 10.524 -2.325 -4.673 1.00 0.00 C ATOM 948 CG LEU A 62 9.826 -3.493 -3.974 1.00 0.00 C ATOM 949 CD1 LEU A 62 10.804 -4.663 -3.841 1.00 0.00 C ATOM 950 CD2 LEU A 62 9.361 -3.056 -2.581 1.00 0.00 C ATOM 0 H LEU A 62 8.148 -2.451 -5.461 1.00 0.00 H new ATOM 0 HA LEU A 62 9.582 -0.661 -3.681 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.781 -2.602 -5.695 1.00 0.00 H new ATOM 0 HB3 LEU A 62 11.457 -2.089 -4.162 1.00 0.00 H new ATOM 0 HG LEU A 62 8.962 -3.803 -4.562 1.00 0.00 H new ATOM 0 HD11 LEU A 62 10.309 -5.497 -3.343 1.00 0.00 H new ATOM 0 HD12 LEU A 62 11.134 -4.976 -4.832 1.00 0.00 H new ATOM 0 HD13 LEU A 62 11.667 -4.351 -3.253 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.864 -3.890 -2.085 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.223 -2.744 -1.991 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.665 -2.223 -2.675 1.00 0.00 H new ATOM 962 N LEU A 63 9.979 -0.324 -6.949 1.00 0.00 N ATOM 963 CA LEU A 63 10.475 0.647 -7.967 1.00 0.00 C ATOM 964 C LEU A 63 9.647 1.932 -7.888 1.00 0.00 C ATOM 965 O LEU A 63 10.158 3.022 -8.058 1.00 0.00 O ATOM 966 CB LEU A 63 10.338 0.035 -9.369 1.00 0.00 C ATOM 967 CG LEU A 63 11.491 -0.938 -9.628 1.00 0.00 C ATOM 968 CD1 LEU A 63 11.393 -2.124 -8.665 1.00 0.00 C ATOM 969 CD2 LEU A 63 11.412 -1.444 -11.070 1.00 0.00 C ATOM 0 H LEU A 63 9.533 -1.160 -7.326 1.00 0.00 H new ATOM 0 HA LEU A 63 11.523 0.876 -7.772 1.00 0.00 H new ATOM 0 HB2 LEU A 63 9.385 -0.486 -9.456 1.00 0.00 H new ATOM 0 HB3 LEU A 63 10.340 0.824 -10.121 1.00 0.00 H new ATOM 0 HG LEU A 63 12.440 -0.425 -9.471 1.00 0.00 H new ATOM 0 HD11 LEU A 63 12.216 -2.814 -8.853 1.00 0.00 H new ATOM 0 HD12 LEU A 63 11.449 -1.764 -7.638 1.00 0.00 H new ATOM 0 HD13 LEU A 63 10.445 -2.639 -8.818 1.00 0.00 H new ATOM 0 HD21 LEU A 63 12.232 -2.137 -11.258 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.462 -1.955 -11.225 1.00 0.00 H new ATOM 0 HD23 LEU A 63 11.486 -0.600 -11.756 1.00 0.00 H new ATOM 981 N ARG A 64 8.372 1.815 -7.642 1.00 0.00 N ATOM 982 CA ARG A 64 7.512 3.032 -7.568 1.00 0.00 C ATOM 983 C ARG A 64 7.839 3.820 -6.281 1.00 0.00 C ATOM 984 O ARG A 64 7.889 5.034 -6.289 1.00 0.00 O ATOM 985 CB ARG A 64 6.019 2.594 -7.641 1.00 0.00 C ATOM 986 CG ARG A 64 5.265 2.810 -6.309 1.00 0.00 C ATOM 987 CD ARG A 64 5.039 4.323 -6.040 1.00 0.00 C ATOM 988 NE ARG A 64 5.634 5.143 -7.135 1.00 0.00 N ATOM 989 CZ ARG A 64 5.293 6.394 -7.275 1.00 0.00 C ATOM 990 NH1 ARG A 64 4.430 6.930 -6.456 1.00 0.00 N ATOM 991 NH2 ARG A 64 5.814 7.110 -8.233 1.00 0.00 N ATOM 0 H ARG A 64 7.887 0.931 -7.489 1.00 0.00 H new ATOM 0 HA ARG A 64 7.706 3.700 -8.407 1.00 0.00 H new ATOM 0 HB2 ARG A 64 5.519 3.154 -8.431 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.967 1.540 -7.916 1.00 0.00 H new ATOM 0 HG2 ARG A 64 4.305 2.295 -6.342 1.00 0.00 H new ATOM 0 HG3 ARG A 64 5.834 2.372 -5.489 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.971 4.529 -5.962 1.00 0.00 H new ATOM 0 HD3 ARG A 64 5.487 4.600 -5.086 1.00 0.00 H new ATOM 0 HE ARG A 64 6.309 4.725 -7.775 1.00 0.00 H new ATOM 0 HH11 ARG A 64 4.022 6.371 -5.707 1.00 0.00 H new ATOM 0 HH12 ARG A 64 4.163 7.908 -6.565 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.489 6.691 -8.873 1.00 0.00 H new ATOM 0 HH22 ARG A 64 5.547 8.088 -8.342 1.00 0.00 H new ATOM 1005 N GLN A 65 8.064 3.149 -5.181 1.00 0.00 N ATOM 1006 CA GLN A 65 8.384 3.873 -3.921 1.00 0.00 C ATOM 1007 C GLN A 65 9.662 4.694 -4.116 1.00 0.00 C ATOM 1008 O GLN A 65 10.109 5.386 -3.222 1.00 0.00 O ATOM 1009 CB GLN A 65 8.589 2.854 -2.793 1.00 0.00 C ATOM 1010 CG GLN A 65 7.229 2.373 -2.274 1.00 0.00 C ATOM 1011 CD GLN A 65 6.612 3.448 -1.377 1.00 0.00 C ATOM 1012 OE1 GLN A 65 5.566 3.241 -0.793 1.00 0.00 O ATOM 1013 NE2 GLN A 65 7.219 4.594 -1.241 1.00 0.00 N ATOM 0 H GLN A 65 8.039 2.132 -5.104 1.00 0.00 H new ATOM 0 HA GLN A 65 7.564 4.542 -3.661 1.00 0.00 H new ATOM 0 HB2 GLN A 65 9.170 2.007 -3.157 1.00 0.00 H new ATOM 0 HB3 GLN A 65 9.159 3.306 -1.981 1.00 0.00 H new ATOM 0 HG2 GLN A 65 6.564 2.158 -3.111 1.00 0.00 H new ATOM 0 HG3 GLN A 65 7.349 1.444 -1.716 1.00 0.00 H new ATOM 0 HE21 GLN A 65 8.097 4.768 -1.731 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.816 5.317 -0.645 1.00 0.00 H new ATOM 1022 N GLY A 66 10.253 4.624 -5.277 1.00 0.00 N ATOM 1023 CA GLY A 66 11.501 5.400 -5.525 1.00 0.00 C ATOM 1024 C GLY A 66 11.168 6.891 -5.615 1.00 0.00 C ATOM 1025 O GLY A 66 11.381 7.641 -4.684 1.00 0.00 O ATOM 0 H GLY A 66 9.926 4.064 -6.064 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.216 5.225 -4.721 1.00 0.00 H new ATOM 0 HA3 GLY A 66 11.972 5.066 -6.449 1.00 0.00 H new ATOM 1029 N GLU A 67 10.646 7.327 -6.729 1.00 0.00 N ATOM 1030 CA GLU A 67 10.302 8.769 -6.878 1.00 0.00 C ATOM 1031 C GLU A 67 8.969 9.050 -6.182 1.00 0.00 C ATOM 1032 O GLU A 67 7.912 8.761 -6.707 1.00 0.00 O ATOM 1033 CB GLU A 67 10.183 9.114 -8.364 1.00 0.00 C ATOM 1034 CG GLU A 67 9.906 10.611 -8.520 1.00 0.00 C ATOM 1035 CD GLU A 67 9.881 10.973 -10.006 1.00 0.00 C ATOM 1036 OE1 GLU A 67 9.293 10.224 -10.769 1.00 0.00 O ATOM 1037 OE2 GLU A 67 10.451 11.993 -10.357 1.00 0.00 O ATOM 0 H GLU A 67 10.443 6.746 -7.543 1.00 0.00 H new ATOM 0 HA GLU A 67 11.084 9.378 -6.425 1.00 0.00 H new ATOM 0 HB2 GLU A 67 11.103 8.847 -8.885 1.00 0.00 H new ATOM 0 HB3 GLU A 67 9.379 8.535 -8.819 1.00 0.00 H new ATOM 0 HG2 GLU A 67 8.953 10.865 -8.057 1.00 0.00 H new ATOM 0 HG3 GLU A 67 10.674 11.189 -8.007 1.00 0.00 H new ATOM 1044 N ILE A 68 9.015 9.611 -4.998 1.00 0.00 N ATOM 1045 CA ILE A 68 7.763 9.920 -4.242 1.00 0.00 C ATOM 1046 C ILE A 68 7.804 11.390 -3.803 1.00 0.00 C ATOM 1047 O ILE A 68 7.327 12.268 -4.494 1.00 0.00 O ATOM 1048 CB ILE A 68 7.686 9.000 -3.003 1.00 0.00 C ATOM 1049 CG1 ILE A 68 9.114 8.668 -2.520 1.00 0.00 C ATOM 1050 CG2 ILE A 68 6.951 7.699 -3.364 1.00 0.00 C ATOM 1051 CD1 ILE A 68 9.089 8.227 -1.050 1.00 0.00 C ATOM 0 H ILE A 68 9.877 9.870 -4.519 1.00 0.00 H new ATOM 0 HA ILE A 68 6.887 9.752 -4.868 1.00 0.00 H new ATOM 0 HB ILE A 68 7.141 9.511 -2.209 1.00 0.00 H new ATOM 0 HG12 ILE A 68 9.539 7.877 -3.137 1.00 0.00 H new ATOM 0 HG13 ILE A 68 9.756 9.541 -2.634 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.900 7.054 -2.486 1.00 0.00 H new ATOM 0 HG22 ILE A 68 5.941 7.933 -3.702 1.00 0.00 H new ATOM 0 HG23 ILE A 68 7.490 7.186 -4.160 1.00 0.00 H new ATOM 0 HD11 ILE A 68 10.103 7.996 -0.722 1.00 0.00 H new ATOM 0 HD12 ILE A 68 8.683 9.031 -0.436 1.00 0.00 H new ATOM 0 HD13 ILE A 68 8.463 7.341 -0.947 1.00 0.00 H new ATOM 1063 N GLU A 69 8.370 11.661 -2.660 1.00 0.00 N ATOM 1064 CA GLU A 69 8.441 13.069 -2.178 1.00 0.00 C ATOM 1065 C GLU A 69 9.456 13.164 -1.036 1.00 0.00 C ATOM 1066 O GLU A 69 9.166 13.681 0.023 1.00 0.00 O ATOM 1067 CB GLU A 69 7.064 13.507 -1.674 1.00 0.00 C ATOM 1068 CG GLU A 69 6.491 12.430 -0.752 1.00 0.00 C ATOM 1069 CD GLU A 69 5.167 12.917 -0.159 1.00 0.00 C ATOM 1070 OE1 GLU A 69 5.134 14.038 0.323 1.00 0.00 O ATOM 1071 OE2 GLU A 69 4.210 12.163 -0.196 1.00 0.00 O ATOM 0 H GLU A 69 8.787 10.968 -2.038 1.00 0.00 H new ATOM 0 HA GLU A 69 8.751 13.719 -2.997 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.145 14.453 -1.139 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.393 13.674 -2.517 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.334 11.506 -1.308 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.199 12.206 0.046 1.00 0.00 H new ATOM 1078 N THR A 70 10.643 12.665 -1.246 1.00 0.00 N ATOM 1079 CA THR A 70 11.677 12.722 -0.176 1.00 0.00 C ATOM 1080 C THR A 70 11.849 14.168 0.296 1.00 0.00 C ATOM 1081 O THR A 70 11.486 15.103 -0.389 1.00 0.00 O ATOM 1082 CB THR A 70 13.005 12.198 -0.728 1.00 0.00 C ATOM 1083 OG1 THR A 70 13.658 13.231 -1.453 1.00 0.00 O ATOM 1084 CG2 THR A 70 12.744 11.011 -1.657 1.00 0.00 C ATOM 0 H THR A 70 10.941 12.220 -2.114 1.00 0.00 H new ATOM 0 HA THR A 70 11.365 12.105 0.667 1.00 0.00 H new ATOM 0 HB THR A 70 13.638 11.877 0.100 1.00 0.00 H new ATOM 0 HG1 THR A 70 14.509 12.896 -1.805 1.00 0.00 H new ATOM 0 HG21 THR A 70 13.691 10.640 -2.048 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.245 10.217 -1.101 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.109 11.329 -2.484 1.00 0.00 H new ATOM 1092 N SER A 71 12.406 14.357 1.463 1.00 0.00 N ATOM 1093 CA SER A 71 12.605 15.740 1.981 1.00 0.00 C ATOM 1094 C SER A 71 13.409 15.682 3.281 1.00 0.00 C ATOM 1095 O SER A 71 13.360 16.584 4.095 1.00 0.00 O ATOM 1096 CB SER A 71 11.245 16.386 2.251 1.00 0.00 C ATOM 1097 OG SER A 71 11.441 17.644 2.884 1.00 0.00 O ATOM 0 H SER A 71 12.732 13.612 2.079 1.00 0.00 H new ATOM 0 HA SER A 71 13.146 16.332 1.242 1.00 0.00 H new ATOM 0 HB2 SER A 71 10.700 16.517 1.316 1.00 0.00 H new ATOM 0 HB3 SER A 71 10.640 15.737 2.885 1.00 0.00 H new ATOM 0 HG SER A 71 11.963 17.520 3.704 1.00 0.00 H new ATOM 1103 N LEU A 72 14.149 14.626 3.484 1.00 0.00 N ATOM 1104 CA LEU A 72 14.956 14.506 4.732 1.00 0.00 C ATOM 1105 C LEU A 72 16.221 15.355 4.603 1.00 0.00 C ATOM 1106 O LEU A 72 17.221 14.921 4.064 1.00 0.00 O ATOM 1107 CB LEU A 72 15.349 13.041 4.953 1.00 0.00 C ATOM 1108 CG LEU A 72 14.097 12.152 4.949 1.00 0.00 C ATOM 1109 CD1 LEU A 72 14.519 10.686 4.835 1.00 0.00 C ATOM 1110 CD2 LEU A 72 13.302 12.351 6.248 1.00 0.00 C ATOM 0 H LEU A 72 14.230 13.840 2.839 1.00 0.00 H new ATOM 0 HA LEU A 72 14.365 14.855 5.579 1.00 0.00 H new ATOM 0 HB2 LEU A 72 16.036 12.719 4.170 1.00 0.00 H new ATOM 0 HB3 LEU A 72 15.875 12.937 5.902 1.00 0.00 H new ATOM 0 HG LEU A 72 13.469 12.426 4.101 1.00 0.00 H new ATOM 0 HD11 LEU A 72 13.633 10.051 4.832 1.00 0.00 H new ATOM 0 HD12 LEU A 72 15.074 10.538 3.909 1.00 0.00 H new ATOM 0 HD13 LEU A 72 15.151 10.422 5.683 1.00 0.00 H new ATOM 0 HD21 LEU A 72 12.417 11.716 6.234 1.00 0.00 H new ATOM 0 HD22 LEU A 72 13.926 12.085 7.101 1.00 0.00 H new ATOM 0 HD23 LEU A 72 12.998 13.394 6.333 1.00 0.00 H new ATOM 1122 N GLY A 73 16.190 16.565 5.096 1.00 0.00 N ATOM 1123 CA GLY A 73 17.392 17.443 5.003 1.00 0.00 C ATOM 1124 C GLY A 73 18.339 17.136 6.166 1.00 0.00 C ATOM 1125 O GLY A 73 19.296 17.846 6.403 1.00 0.00 O ATOM 0 H GLY A 73 15.383 16.983 5.559 1.00 0.00 H new ATOM 0 HA2 GLY A 73 17.901 17.281 4.053 1.00 0.00 H new ATOM 0 HA3 GLY A 73 17.093 18.491 5.030 1.00 0.00 H new ATOM 1129 N TYR A 74 18.079 16.082 6.894 1.00 0.00 N ATOM 1130 CA TYR A 74 18.963 15.727 8.043 1.00 0.00 C ATOM 1131 C TYR A 74 20.121 14.862 7.546 1.00 0.00 C ATOM 1132 O TYR A 74 21.231 15.326 7.379 1.00 0.00 O ATOM 1133 CB TYR A 74 18.156 14.947 9.083 1.00 0.00 C ATOM 1134 CG TYR A 74 17.126 15.860 9.707 1.00 0.00 C ATOM 1135 CD1 TYR A 74 17.482 16.689 10.788 1.00 0.00 C ATOM 1136 CD2 TYR A 74 15.808 15.879 9.208 1.00 0.00 C ATOM 1137 CE1 TYR A 74 16.523 17.539 11.369 1.00 0.00 C ATOM 1138 CE2 TYR A 74 14.849 16.730 9.790 1.00 0.00 C ATOM 1139 CZ TYR A 74 15.206 17.559 10.871 1.00 0.00 C ATOM 1140 OH TYR A 74 14.265 18.393 11.441 1.00 0.00 O ATOM 0 H TYR A 74 17.292 15.451 6.742 1.00 0.00 H new ATOM 0 HA TYR A 74 19.357 16.638 8.494 1.00 0.00 H new ATOM 0 HB2 TYR A 74 17.665 14.094 8.614 1.00 0.00 H new ATOM 0 HB3 TYR A 74 18.819 14.550 9.851 1.00 0.00 H new ATOM 0 HD1 TYR A 74 18.492 16.672 11.171 1.00 0.00 H new ATOM 0 HD2 TYR A 74 15.534 15.242 8.380 1.00 0.00 H new ATOM 0 HE1 TYR A 74 16.797 18.176 12.197 1.00 0.00 H new ATOM 0 HE2 TYR A 74 13.839 16.747 9.407 1.00 0.00 H new ATOM 0 HH TYR A 74 13.408 18.284 10.978 1.00 0.00 H new ATOM 1150 N PHE A 75 19.869 13.606 7.308 1.00 0.00 N ATOM 1151 CA PHE A 75 20.955 12.708 6.821 1.00 0.00 C ATOM 1152 C PHE A 75 21.514 13.254 5.507 1.00 0.00 C ATOM 1153 O PHE A 75 22.706 13.246 5.276 1.00 0.00 O ATOM 1154 CB PHE A 75 20.392 11.304 6.591 1.00 0.00 C ATOM 1155 CG PHE A 75 21.515 10.366 6.215 1.00 0.00 C ATOM 1156 CD1 PHE A 75 21.885 10.219 4.864 1.00 0.00 C ATOM 1157 CD2 PHE A 75 22.190 9.640 7.214 1.00 0.00 C ATOM 1158 CE1 PHE A 75 22.933 9.344 4.514 1.00 0.00 C ATOM 1159 CE2 PHE A 75 23.237 8.766 6.864 1.00 0.00 C ATOM 1160 CZ PHE A 75 23.608 8.618 5.513 1.00 0.00 C ATOM 0 H PHE A 75 18.959 13.161 7.429 1.00 0.00 H new ATOM 0 HA PHE A 75 21.750 12.662 7.565 1.00 0.00 H new ATOM 0 HB2 PHE A 75 19.893 10.948 7.493 1.00 0.00 H new ATOM 0 HB3 PHE A 75 19.642 11.326 5.800 1.00 0.00 H new ATOM 0 HD1 PHE A 75 21.367 10.776 4.098 1.00 0.00 H new ATOM 0 HD2 PHE A 75 21.905 9.753 8.249 1.00 0.00 H new ATOM 0 HE1 PHE A 75 23.218 9.231 3.479 1.00 0.00 H new ATOM 0 HE2 PHE A 75 23.755 8.209 7.631 1.00 0.00 H new ATOM 0 HZ PHE A 75 24.411 7.947 5.244 1.00 0.00 H new ATOM 1170 N GLU A 76 20.659 13.732 4.645 1.00 0.00 N ATOM 1171 CA GLU A 76 21.134 14.284 3.342 1.00 0.00 C ATOM 1172 C GLU A 76 21.507 15.756 3.520 1.00 0.00 C ATOM 1173 O GLU A 76 21.048 16.416 4.430 1.00 0.00 O ATOM 1174 CB GLU A 76 20.017 14.164 2.302 1.00 0.00 C ATOM 1175 CG GLU A 76 19.655 12.691 2.109 1.00 0.00 C ATOM 1176 CD GLU A 76 18.542 12.571 1.065 1.00 0.00 C ATOM 1177 OE1 GLU A 76 18.607 13.280 0.075 1.00 0.00 O ATOM 1178 OE2 GLU A 76 17.644 11.774 1.275 1.00 0.00 O ATOM 1179 OXT GLU A 76 22.337 16.277 2.657 1.00 0.00 O ATOM 0 H GLU A 76 19.649 13.765 4.786 1.00 0.00 H new ATOM 0 HA GLU A 76 22.007 13.725 3.005 1.00 0.00 H new ATOM 0 HB2 GLU A 76 19.141 14.725 2.627 1.00 0.00 H new ATOM 0 HB3 GLU A 76 20.339 14.597 1.355 1.00 0.00 H new ATOM 0 HG2 GLU A 76 20.532 12.129 1.787 1.00 0.00 H new ATOM 0 HG3 GLU A 76 19.329 12.259 3.055 1.00 0.00 H new TER 1186 GLU A 76