USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 778 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 63 GLN : amide:sc= -1.37! C(o=-2!,f=-5.5!) USER MOD Set 1.2: A 84 ASN : amide:sc= -1.91 K(o=-2,f=-9.4!) USER MOD Set 1.3: A 85 SER OG : rot 72:sc= 1.28 USER MOD Set 2.1: A 23 ASN : amide:sc= 0.301 K(o=1.1,f=-14!) USER MOD Set 2.2: A 59 TYR OH : rot -24:sc= -0.883 USER MOD Set 2.3: A 95 LYS NZ :NH3+ 138:sc= 1.67 (180deg=-0.012) USER MOD Set 3.1: A 37 LYS NZ :NH3+ 176:sc= 2.24 (180deg=1.22) USER MOD Set 3.2: A 78 ASN : amide:sc= 0.32 K(o=2.6,f=-11!) USER MOD Set 4.1: A 25 ASN : amide:sc= -1.78! C(o=-0.5!,f=-11!) USER MOD Set 4.2: A 28 LYS NZ :NH3+ 130:sc= 1.28 (180deg=-0.0199) USER MOD Set 5.1: A 18 SER OG : rot 143:sc= -2.9! USER MOD Set 5.2: A 27 TYR OH : rot -93:sc= 0.239 USER MOD Set 6.1: A 13 CYS SG : rot 140:sc= 0.76 USER MOD Set 6.2: A 89 TYR OH : rot -142:sc= 0.933 USER MOD Set 7.1: A 5 TYR OH : rot 164:sc= 0.746 USER MOD Set 7.2: A 8 GLN : amide:sc= 1.74 K(o=2.5,f=-1.5) USER MOD Set 7.3: A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= 0.569 K(o=0.57,f=-0.0065) USER MOD Single : A 7 GLN : amide:sc= -0.0597 X(o=-0.06,f=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 22:sc= 0.418 USER MOD Single : A 33 THR OG1 : rot -74:sc= 0.263 USER MOD Single : A 34 SER OG : rot -174:sc= 1.24 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 169:sc= 1.54 (180deg=1.13) USER MOD Single : A 46 MET CE :methyl 151:sc= -0.259 (180deg=-0.5) USER MOD Single : A 48 LYS NZ :NH3+ 157:sc= 1.28 (180deg=1.14) USER MOD Single : A 49 HIS : no HD1:sc= -5.15 K(o=-5.2,f=-8.8!) USER MOD Single : A 50 ASN : amide:sc=-0.00231 X(o=-0.0023,f=-0.13) USER MOD Single : A 66 SER OG : rot 180:sc= 0.041 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -136:sc= 1.2 (180deg=-0.168) USER MOD Single : A 76 ASN : amide:sc= -1.56 K(o=-1.6,f=-2.7!) USER MOD Single : A 81 TYR OH : rot 29:sc= -1.45! USER MOD Single : A 83 MET CE :methyl -171:sc= 0 (180deg=-0.0834) USER MOD Single : A 86 THR OG1 : rot -171:sc= 0.364 USER MOD Single : A 88 ASN : amide:sc= -0.607 K(o=-0.61,f=-1.1) USER MOD Single : A 94 LYS NZ :NH3+ 176:sc= 1.16 (180deg=1.05) USER MOD Single : A 97 THR OG1 : rot 138:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 6.926 -28.682 13.661 1.00 0.00 N ATOM 2 CA ALA A 1 5.442 -28.814 13.701 1.00 0.00 C ATOM 3 C ALA A 1 4.831 -28.667 12.306 1.00 0.00 C ATOM 4 O ALA A 1 4.120 -29.557 11.840 1.00 0.00 O ATOM 5 CB ALA A 1 4.843 -27.789 14.659 1.00 0.00 C ATOM 0 H1 ALA A 1 7.310 -28.786 14.622 1.00 0.00 H new ATOM 0 H2 ALA A 1 7.324 -29.421 13.047 1.00 0.00 H new ATOM 0 H3 ALA A 1 7.181 -27.746 13.286 1.00 0.00 H new ATOM 0 HA ALA A 1 5.204 -29.814 14.064 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.759 -27.898 14.677 1.00 0.00 H new ATOM 0 HB2 ALA A 1 5.241 -27.951 15.661 1.00 0.00 H new ATOM 0 HB3 ALA A 1 5.101 -26.784 14.325 1.00 0.00 H new ATOM 13 N LEU A 2 5.112 -27.542 11.645 1.00 0.00 N ATOM 14 CA LEU A 2 4.588 -27.285 10.304 1.00 0.00 C ATOM 15 C LEU A 2 5.654 -26.647 9.409 1.00 0.00 C ATOM 16 O LEU A 2 6.594 -26.019 9.900 1.00 0.00 O ATOM 17 CB LEU A 2 3.355 -26.376 10.381 1.00 0.00 C ATOM 18 CG LEU A 2 3.595 -25.000 11.010 1.00 0.00 C ATOM 19 CD1 LEU A 2 3.164 -23.895 10.058 1.00 0.00 C ATOM 20 CD2 LEU A 2 2.853 -24.882 12.333 1.00 0.00 C ATOM 0 H LEU A 2 5.699 -26.796 12.017 1.00 0.00 H new ATOM 0 HA LEU A 2 4.301 -28.241 9.865 1.00 0.00 H new ATOM 0 HB2 LEU A 2 2.965 -26.234 9.373 1.00 0.00 H new ATOM 0 HB3 LEU A 2 2.581 -26.889 10.952 1.00 0.00 H new ATOM 0 HG LEU A 2 4.662 -24.892 11.202 1.00 0.00 H new ATOM 0 HD11 LEU A 2 3.342 -22.925 10.522 1.00 0.00 H new ATOM 0 HD12 LEU A 2 3.738 -23.966 9.134 1.00 0.00 H new ATOM 0 HD13 LEU A 2 2.102 -24.001 9.834 1.00 0.00 H new ATOM 0 HD21 LEU A 2 3.035 -23.898 12.766 1.00 0.00 H new ATOM 0 HD22 LEU A 2 1.784 -25.012 12.164 1.00 0.00 H new ATOM 0 HD23 LEU A 2 3.208 -25.651 13.019 1.00 0.00 H new ATOM 32 N PRO A 3 5.521 -26.801 8.075 1.00 0.00 N ATOM 33 CA PRO A 3 6.471 -26.239 7.114 1.00 0.00 C ATOM 34 C PRO A 3 6.169 -24.777 6.775 1.00 0.00 C ATOM 35 O PRO A 3 5.237 -24.183 7.321 1.00 0.00 O ATOM 36 CB PRO A 3 6.280 -27.130 5.887 1.00 0.00 C ATOM 37 CG PRO A 3 4.852 -27.573 5.947 1.00 0.00 C ATOM 38 CD PRO A 3 4.430 -27.534 7.401 1.00 0.00 C ATOM 0 HA PRO A 3 7.490 -26.226 7.500 1.00 0.00 H new ATOM 0 HB2 PRO A 3 6.485 -26.583 4.967 1.00 0.00 H new ATOM 0 HB3 PRO A 3 6.959 -27.983 5.909 1.00 0.00 H new ATOM 0 HG2 PRO A 3 4.221 -26.918 5.346 1.00 0.00 H new ATOM 0 HG3 PRO A 3 4.744 -28.579 5.542 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.473 -27.026 7.525 1.00 0.00 H new ATOM 0 HD3 PRO A 3 4.313 -28.538 7.809 1.00 0.00 H new ATOM 46 N LEU A 4 6.963 -24.204 5.869 1.00 0.00 N ATOM 47 CA LEU A 4 6.781 -22.812 5.454 1.00 0.00 C ATOM 48 C LEU A 4 5.443 -22.622 4.732 1.00 0.00 C ATOM 49 O LEU A 4 4.798 -23.597 4.336 1.00 0.00 O ATOM 50 CB LEU A 4 7.936 -22.365 4.547 1.00 0.00 C ATOM 51 CG LEU A 4 8.126 -23.189 3.269 1.00 0.00 C ATOM 52 CD1 LEU A 4 7.720 -22.383 2.045 1.00 0.00 C ATOM 53 CD2 LEU A 4 9.568 -23.655 3.143 1.00 0.00 C ATOM 0 H LEU A 4 7.738 -24.682 5.409 1.00 0.00 H new ATOM 0 HA LEU A 4 6.777 -22.194 6.352 1.00 0.00 H new ATOM 0 HB2 LEU A 4 7.774 -21.324 4.267 1.00 0.00 H new ATOM 0 HB3 LEU A 4 8.861 -22.400 5.122 1.00 0.00 H new ATOM 0 HG LEU A 4 7.483 -24.067 3.331 1.00 0.00 H new ATOM 0 HD11 LEU A 4 7.863 -22.986 1.148 1.00 0.00 H new ATOM 0 HD12 LEU A 4 6.671 -22.099 2.128 1.00 0.00 H new ATOM 0 HD13 LEU A 4 8.335 -21.485 1.980 1.00 0.00 H new ATOM 0 HD21 LEU A 4 9.683 -24.238 2.230 1.00 0.00 H new ATOM 0 HD22 LEU A 4 10.228 -22.789 3.106 1.00 0.00 H new ATOM 0 HD23 LEU A 4 9.827 -24.272 4.003 1.00 0.00 H new ATOM 65 N TYR A 5 5.032 -21.362 4.569 1.00 0.00 N ATOM 66 CA TYR A 5 3.770 -21.036 3.902 1.00 0.00 C ATOM 67 C TYR A 5 3.668 -21.721 2.536 1.00 0.00 C ATOM 68 O TYR A 5 4.338 -21.328 1.580 1.00 0.00 O ATOM 69 CB TYR A 5 3.627 -19.518 3.739 1.00 0.00 C ATOM 70 CG TYR A 5 2.212 -19.063 3.451 1.00 0.00 C ATOM 71 CD1 TYR A 5 1.632 -19.276 2.206 1.00 0.00 C ATOM 72 CD2 TYR A 5 1.456 -18.419 4.424 1.00 0.00 C ATOM 73 CE1 TYR A 5 0.342 -18.861 1.939 1.00 0.00 C ATOM 74 CE2 TYR A 5 0.164 -18.000 4.163 1.00 0.00 C ATOM 75 CZ TYR A 5 -0.389 -18.224 2.918 1.00 0.00 C ATOM 76 OH TYR A 5 -1.674 -17.808 2.648 1.00 0.00 O ATOM 0 H TYR A 5 5.557 -20.549 4.891 1.00 0.00 H new ATOM 0 HA TYR A 5 2.959 -21.406 4.529 1.00 0.00 H new ATOM 0 HB2 TYR A 5 3.977 -19.030 4.649 1.00 0.00 H new ATOM 0 HB3 TYR A 5 4.277 -19.186 2.929 1.00 0.00 H new ATOM 0 HD1 TYR A 5 2.200 -19.775 1.434 1.00 0.00 H new ATOM 0 HD2 TYR A 5 1.885 -18.243 5.400 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.092 -19.035 0.966 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -0.410 -17.500 4.929 1.00 0.00 H new ATOM 0 HH TYR A 5 -2.138 -17.613 3.489 1.00 0.00 H new ATOM 86 N ASN A 6 2.820 -22.747 2.460 1.00 0.00 N ATOM 87 CA ASN A 6 2.618 -23.495 1.221 1.00 0.00 C ATOM 88 C ASN A 6 1.133 -23.554 0.860 1.00 0.00 C ATOM 89 O ASN A 6 0.721 -23.050 -0.185 1.00 0.00 O ATOM 90 CB ASN A 6 3.182 -24.913 1.356 1.00 0.00 C ATOM 91 CG ASN A 6 4.630 -25.008 0.915 1.00 0.00 C ATOM 92 OD1 ASN A 6 4.918 -25.276 -0.250 1.00 0.00 O ATOM 93 ND2 ASN A 6 5.551 -24.791 1.846 1.00 0.00 N ATOM 0 H ASN A 6 2.261 -23.079 3.246 1.00 0.00 H new ATOM 0 HA ASN A 6 3.149 -22.978 0.421 1.00 0.00 H new ATOM 0 HB2 ASN A 6 3.100 -25.236 2.394 1.00 0.00 H new ATOM 0 HB3 ASN A 6 2.579 -25.598 0.761 1.00 0.00 H new ATOM 0 HD21 ASN A 6 6.541 -24.844 1.606 1.00 0.00 H new ATOM 0 HD22 ASN A 6 5.269 -24.571 2.801 1.00 0.00 H new ATOM 100 N GLN A 7 0.336 -24.167 1.737 1.00 0.00 N ATOM 101 CA GLN A 7 -1.104 -24.289 1.518 1.00 0.00 C ATOM 102 C GLN A 7 -1.881 -23.748 2.718 1.00 0.00 C ATOM 103 O GLN A 7 -2.006 -24.422 3.744 1.00 0.00 O ATOM 104 CB GLN A 7 -1.482 -25.752 1.260 1.00 0.00 C ATOM 105 CG GLN A 7 -0.775 -26.368 0.060 1.00 0.00 C ATOM 106 CD GLN A 7 -0.149 -27.714 0.374 1.00 0.00 C ATOM 107 OE1 GLN A 7 -0.566 -28.742 -0.158 1.00 0.00 O ATOM 108 NE2 GLN A 7 0.857 -27.719 1.241 1.00 0.00 N ATOM 0 H GLN A 7 0.665 -24.587 2.606 1.00 0.00 H new ATOM 0 HA GLN A 7 -1.367 -23.698 0.641 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -1.249 -26.340 2.148 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -2.559 -25.818 1.108 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -1.489 -26.486 -0.755 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -0.001 -25.685 -0.290 1.00 0.00 H new ATOM 0 HE21 GLN A 7 1.173 -26.845 1.660 1.00 0.00 H new ATOM 0 HE22 GLN A 7 1.313 -28.597 1.488 1.00 0.00 H new ATOM 117 N GLN A 8 -2.396 -22.527 2.584 1.00 0.00 N ATOM 118 CA GLN A 8 -3.160 -21.891 3.657 1.00 0.00 C ATOM 119 C GLN A 8 -4.592 -21.596 3.211 1.00 0.00 C ATOM 120 O GLN A 8 -4.833 -20.666 2.437 1.00 0.00 O ATOM 121 CB GLN A 8 -2.471 -20.598 4.108 1.00 0.00 C ATOM 122 CG GLN A 8 -3.069 -19.990 5.369 1.00 0.00 C ATOM 123 CD GLN A 8 -3.850 -18.719 5.091 1.00 0.00 C ATOM 124 OE1 GLN A 8 -3.267 -17.658 4.864 1.00 0.00 O ATOM 125 NE2 GLN A 8 -5.175 -18.817 5.105 1.00 0.00 N ATOM 0 H GLN A 8 -2.298 -21.958 1.743 1.00 0.00 H new ATOM 0 HA GLN A 8 -3.200 -22.583 4.498 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -1.414 -20.802 4.280 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -2.528 -19.867 3.301 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -3.726 -20.719 5.843 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -2.270 -19.773 6.078 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.618 -19.715 5.297 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.749 -17.994 4.923 1.00 0.00 H new ATOM 134 N VAL A 9 -5.537 -22.395 3.704 1.00 0.00 N ATOM 135 CA VAL A 9 -6.947 -22.227 3.363 1.00 0.00 C ATOM 136 C VAL A 9 -7.803 -22.105 4.625 1.00 0.00 C ATOM 137 O VAL A 9 -8.120 -23.108 5.268 1.00 0.00 O ATOM 138 CB VAL A 9 -7.467 -23.402 2.504 1.00 0.00 C ATOM 139 CG1 VAL A 9 -8.886 -23.137 2.026 1.00 0.00 C ATOM 140 CG2 VAL A 9 -6.542 -23.657 1.322 1.00 0.00 C ATOM 0 H VAL A 9 -5.350 -23.168 4.343 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.027 -21.308 2.782 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.480 -24.296 3.128 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.230 -23.978 1.424 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.543 -23.015 2.887 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -8.903 -22.228 1.424 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.927 -24.488 0.731 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.491 -22.763 0.701 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.545 -23.903 1.687 1.00 0.00 H new ATOM 150 N GLY A 10 -8.166 -20.871 4.977 1.00 0.00 N ATOM 151 CA GLY A 10 -8.977 -20.642 6.163 1.00 0.00 C ATOM 152 C GLY A 10 -9.794 -19.365 6.078 1.00 0.00 C ATOM 153 O GLY A 10 -10.679 -19.246 5.229 1.00 0.00 O ATOM 0 H GLY A 10 -7.913 -20.027 4.462 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -9.648 -21.489 6.308 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -8.329 -20.596 7.038 1.00 0.00 H new ATOM 157 N ASP A 11 -9.499 -18.410 6.962 1.00 0.00 N ATOM 158 CA ASP A 11 -10.217 -17.136 6.985 1.00 0.00 C ATOM 159 C ASP A 11 -9.246 -15.948 7.007 1.00 0.00 C ATOM 160 O ASP A 11 -9.446 -14.980 7.746 1.00 0.00 O ATOM 161 CB ASP A 11 -11.153 -17.089 8.198 1.00 0.00 C ATOM 162 CG ASP A 11 -12.542 -17.603 7.875 1.00 0.00 C ATOM 163 OD1 ASP A 11 -13.328 -16.844 7.270 1.00 0.00 O ATOM 164 OD2 ASP A 11 -12.843 -18.763 8.226 1.00 0.00 O ATOM 0 H ASP A 11 -8.769 -18.495 7.670 1.00 0.00 H new ATOM 0 HA ASP A 11 -10.809 -17.060 6.073 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -10.727 -17.684 9.006 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.223 -16.063 8.560 1.00 0.00 H new ATOM 169 N CYS A 12 -8.196 -16.027 6.188 1.00 0.00 N ATOM 170 CA CYS A 12 -7.199 -14.961 6.109 1.00 0.00 C ATOM 171 C CYS A 12 -6.250 -15.169 4.927 1.00 0.00 C ATOM 172 O CYS A 12 -6.221 -16.241 4.318 1.00 0.00 O ATOM 173 CB CYS A 12 -6.399 -14.884 7.412 1.00 0.00 C ATOM 174 SG CYS A 12 -5.496 -16.398 7.821 1.00 0.00 S ATOM 0 H CYS A 12 -8.015 -16.818 5.571 1.00 0.00 H new ATOM 0 HA CYS A 12 -7.730 -14.022 5.956 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -5.690 -14.060 7.341 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -7.080 -14.649 8.230 1.00 0.00 H new ATOM 0 HG CYS A 12 -4.851 -16.230 8.937 1.00 0.00 H new ATOM 180 N CYS A 13 -5.475 -14.132 4.614 1.00 0.00 N ATOM 181 CA CYS A 13 -4.514 -14.176 3.512 1.00 0.00 C ATOM 182 C CYS A 13 -3.349 -13.210 3.763 1.00 0.00 C ATOM 183 O CYS A 13 -3.261 -12.592 4.827 1.00 0.00 O ATOM 184 CB CYS A 13 -5.216 -13.836 2.192 1.00 0.00 C ATOM 185 SG CYS A 13 -4.847 -14.984 0.845 1.00 0.00 S ATOM 0 H CYS A 13 -5.494 -13.243 5.113 1.00 0.00 H new ATOM 0 HA CYS A 13 -4.107 -15.185 3.448 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -6.293 -13.822 2.359 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.927 -12.830 1.888 1.00 0.00 H new ATOM 0 HG CYS A 13 -5.929 -15.213 0.161 1.00 0.00 H new ATOM 191 N ILE A 14 -2.456 -13.082 2.779 1.00 0.00 N ATOM 192 CA ILE A 14 -1.300 -12.191 2.893 1.00 0.00 C ATOM 193 C ILE A 14 -0.928 -11.594 1.542 1.00 0.00 C ATOM 194 O ILE A 14 -1.185 -12.188 0.493 1.00 0.00 O ATOM 195 CB ILE A 14 -0.055 -12.899 3.480 1.00 0.00 C ATOM 196 CG1 ILE A 14 -0.210 -14.425 3.465 1.00 0.00 C ATOM 197 CG2 ILE A 14 0.214 -12.406 4.892 1.00 0.00 C ATOM 198 CD1 ILE A 14 0.193 -15.061 2.152 1.00 0.00 C ATOM 0 H ILE A 14 -2.512 -13.585 1.893 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.604 -11.401 3.580 1.00 0.00 H new ATOM 0 HB ILE A 14 0.797 -12.650 2.848 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.394 -14.851 4.266 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.248 -14.679 3.679 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.092 -12.912 5.293 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.391 -11.331 4.874 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -0.648 -12.621 5.523 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.057 -16.141 2.214 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.428 -14.663 1.349 1.00 0.00 H new ATOM 0 HD13 ILE A 14 1.240 -14.838 1.946 1.00 0.00 H new ATOM 210 N ILE A 15 -0.322 -10.408 1.577 1.00 0.00 N ATOM 211 CA ILE A 15 0.085 -9.716 0.355 1.00 0.00 C ATOM 212 C ILE A 15 1.336 -8.878 0.578 1.00 0.00 C ATOM 213 O ILE A 15 1.573 -8.383 1.677 1.00 0.00 O ATOM 214 CB ILE A 15 -1.011 -8.764 -0.164 1.00 0.00 C ATOM 215 CG1 ILE A 15 -2.409 -9.223 0.246 1.00 0.00 C ATOM 216 CG2 ILE A 15 -0.929 -8.623 -1.678 1.00 0.00 C ATOM 217 CD1 ILE A 15 -3.442 -8.132 0.102 1.00 0.00 C ATOM 0 H ILE A 15 -0.102 -9.907 2.438 1.00 0.00 H new ATOM 0 HA ILE A 15 0.274 -10.502 -0.376 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.834 -7.791 0.295 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.701 -10.078 -0.364 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.387 -9.563 1.281 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.711 -7.947 -2.023 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.046 -8.221 -1.954 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.063 -9.600 -2.142 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.417 -8.512 0.407 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.169 -7.286 0.733 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.487 -7.809 -0.938 1.00 0.00 H new ATOM 229 N ARG A 16 2.113 -8.688 -0.484 1.00 0.00 N ATOM 230 CA ARG A 16 3.315 -7.870 -0.415 1.00 0.00 C ATOM 231 C ARG A 16 2.977 -6.446 -0.867 1.00 0.00 C ATOM 232 O ARG A 16 2.830 -6.184 -2.061 1.00 0.00 O ATOM 233 CB ARG A 16 4.427 -8.484 -1.273 1.00 0.00 C ATOM 234 CG ARG A 16 5.736 -7.713 -1.233 1.00 0.00 C ATOM 235 CD ARG A 16 6.940 -8.646 -1.238 1.00 0.00 C ATOM 236 NE ARG A 16 7.043 -9.402 -2.489 1.00 0.00 N ATOM 237 CZ ARG A 16 7.432 -8.880 -3.653 1.00 0.00 C ATOM 238 NH1 ARG A 16 7.777 -7.602 -3.740 1.00 0.00 N ATOM 239 NH2 ARG A 16 7.477 -9.643 -4.735 1.00 0.00 N ATOM 0 H ARG A 16 1.930 -9.091 -1.403 1.00 0.00 H new ATOM 0 HA ARG A 16 3.680 -7.833 0.611 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.608 -9.505 -0.938 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.084 -8.544 -2.306 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.791 -7.044 -2.092 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.763 -7.088 -0.340 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.850 -8.065 -1.090 1.00 0.00 H new ATOM 0 HD3 ARG A 16 6.865 -9.339 -0.400 1.00 0.00 H new ATOM 0 HE ARG A 16 6.801 -10.393 -2.468 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.746 -7.008 -2.911 1.00 0.00 H new ATOM 0 HH12 ARG A 16 8.073 -7.213 -4.635 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.215 -10.627 -4.676 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.774 -9.247 -5.627 1.00 0.00 H new ATOM 253 N VAL A 17 2.816 -5.542 0.105 1.00 0.00 N ATOM 254 CA VAL A 17 2.453 -4.151 -0.174 1.00 0.00 C ATOM 255 C VAL A 17 3.680 -3.255 -0.378 1.00 0.00 C ATOM 256 O VAL A 17 4.773 -3.552 0.106 1.00 0.00 O ATOM 257 CB VAL A 17 1.602 -3.538 0.968 1.00 0.00 C ATOM 258 CG1 VAL A 17 2.463 -3.165 2.170 1.00 0.00 C ATOM 259 CG2 VAL A 17 0.846 -2.314 0.472 1.00 0.00 C ATOM 0 H VAL A 17 2.932 -5.752 1.096 1.00 0.00 H new ATOM 0 HA VAL A 17 1.873 -4.186 -1.096 1.00 0.00 H new ATOM 0 HB VAL A 17 0.887 -4.296 1.286 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.833 -2.738 2.951 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.960 -4.057 2.552 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.212 -2.433 1.868 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.254 -1.897 1.287 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.556 -1.566 0.119 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.185 -2.601 -0.346 1.00 0.00 H new ATOM 269 N SER A 18 3.466 -2.136 -1.066 1.00 0.00 N ATOM 270 CA SER A 18 4.517 -1.150 -1.319 1.00 0.00 C ATOM 271 C SER A 18 3.941 0.264 -1.210 1.00 0.00 C ATOM 272 O SER A 18 2.751 0.428 -0.952 1.00 0.00 O ATOM 273 CB SER A 18 5.135 -1.367 -2.705 1.00 0.00 C ATOM 274 OG SER A 18 4.156 -1.260 -3.725 1.00 0.00 O ATOM 0 H SER A 18 2.561 -1.886 -1.464 1.00 0.00 H new ATOM 0 HA SER A 18 5.300 -1.273 -0.571 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.922 -0.632 -2.874 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.603 -2.351 -2.748 1.00 0.00 H new ATOM 0 HG SER A 18 4.548 -0.823 -4.510 1.00 0.00 H new ATOM 280 N LEU A 19 4.776 1.283 -1.402 1.00 0.00 N ATOM 281 CA LEU A 19 4.320 2.670 -1.320 1.00 0.00 C ATOM 282 C LEU A 19 5.094 3.556 -2.298 1.00 0.00 C ATOM 283 O LEU A 19 6.317 3.444 -2.409 1.00 0.00 O ATOM 284 CB LEU A 19 4.478 3.194 0.106 1.00 0.00 C ATOM 285 CG LEU A 19 3.423 2.688 1.091 1.00 0.00 C ATOM 286 CD1 LEU A 19 4.038 1.739 2.104 1.00 0.00 C ATOM 287 CD2 LEU A 19 2.749 3.853 1.791 1.00 0.00 C ATOM 0 H LEU A 19 5.768 1.176 -1.615 1.00 0.00 H new ATOM 0 HA LEU A 19 3.265 2.700 -1.593 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.465 2.914 0.475 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.443 4.283 0.085 1.00 0.00 H new ATOM 0 HG LEU A 19 2.668 2.138 0.529 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.268 1.393 2.793 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.471 0.884 1.585 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.818 2.258 2.662 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.001 3.475 2.488 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.495 4.430 2.337 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.266 4.492 1.052 1.00 0.00 H new ATOM 299 N ASP A 20 4.379 4.429 -3.014 1.00 0.00 N ATOM 300 CA ASP A 20 5.015 5.318 -3.987 1.00 0.00 C ATOM 301 C ASP A 20 4.204 6.601 -4.215 1.00 0.00 C ATOM 302 O ASP A 20 3.637 6.808 -5.290 1.00 0.00 O ATOM 303 CB ASP A 20 5.215 4.576 -5.312 1.00 0.00 C ATOM 304 CG ASP A 20 6.099 5.337 -6.282 1.00 0.00 C ATOM 305 OD1 ASP A 20 7.307 5.482 -5.995 1.00 0.00 O ATOM 306 OD2 ASP A 20 5.583 5.786 -7.327 1.00 0.00 O ATOM 0 H ASP A 20 3.368 4.538 -2.938 1.00 0.00 H new ATOM 0 HA ASP A 20 5.982 5.615 -3.582 1.00 0.00 H new ATOM 0 HB2 ASP A 20 5.657 3.600 -5.114 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.244 4.399 -5.774 1.00 0.00 H new ATOM 311 N VAL A 21 4.171 7.464 -3.203 1.00 0.00 N ATOM 312 CA VAL A 21 3.449 8.738 -3.292 1.00 0.00 C ATOM 313 C VAL A 21 4.142 9.810 -2.450 1.00 0.00 C ATOM 314 O VAL A 21 4.896 10.629 -2.978 1.00 0.00 O ATOM 315 CB VAL A 21 1.970 8.599 -2.858 1.00 0.00 C ATOM 316 CG1 VAL A 21 1.263 9.947 -2.889 1.00 0.00 C ATOM 317 CG2 VAL A 21 1.246 7.601 -3.747 1.00 0.00 C ATOM 0 H VAL A 21 4.636 7.307 -2.309 1.00 0.00 H new ATOM 0 HA VAL A 21 3.461 9.040 -4.339 1.00 0.00 H new ATOM 0 HB VAL A 21 1.953 8.230 -1.832 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.225 9.821 -2.580 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.763 10.636 -2.208 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.293 10.351 -3.901 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.207 7.516 -3.428 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.281 7.943 -4.781 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.730 6.627 -3.670 1.00 0.00 H new ATOM 327 N ASP A 22 3.898 9.787 -1.142 1.00 0.00 N ATOM 328 CA ASP A 22 4.513 10.742 -0.223 1.00 0.00 C ATOM 329 C ASP A 22 5.680 10.097 0.527 1.00 0.00 C ATOM 330 O ASP A 22 6.508 10.792 1.120 1.00 0.00 O ATOM 331 CB ASP A 22 3.476 11.268 0.776 1.00 0.00 C ATOM 332 CG ASP A 22 2.301 11.946 0.096 1.00 0.00 C ATOM 333 OD1 ASP A 22 2.504 13.012 -0.521 1.00 0.00 O ATOM 334 OD2 ASP A 22 1.177 11.410 0.184 1.00 0.00 O ATOM 0 H ASP A 22 3.276 9.115 -0.693 1.00 0.00 H new ATOM 0 HA ASP A 22 4.895 11.578 -0.809 1.00 0.00 H new ATOM 0 HB2 ASP A 22 3.111 10.440 1.384 1.00 0.00 H new ATOM 0 HB3 ASP A 22 3.956 11.974 1.454 1.00 0.00 H new ATOM 339 N ASN A 23 5.739 8.762 0.494 1.00 0.00 N ATOM 340 CA ASN A 23 6.797 8.015 1.166 1.00 0.00 C ATOM 341 C ASN A 23 7.249 6.833 0.311 1.00 0.00 C ATOM 342 O ASN A 23 6.587 5.792 0.273 1.00 0.00 O ATOM 343 CB ASN A 23 6.313 7.517 2.535 1.00 0.00 C ATOM 344 CG ASN A 23 5.393 8.506 3.230 1.00 0.00 C ATOM 345 OD1 ASN A 23 4.169 8.399 3.139 1.00 0.00 O ATOM 346 ND2 ASN A 23 5.973 9.481 3.923 1.00 0.00 N ATOM 0 H ASN A 23 5.061 8.178 0.005 1.00 0.00 H new ATOM 0 HA ASN A 23 7.645 8.683 1.313 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.790 6.569 2.408 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.176 7.322 3.171 1.00 0.00 H new ATOM 0 HD21 ASN A 23 5.401 10.175 4.404 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.990 9.535 3.974 1.00 0.00 H new ATOM 353 N GLY A 24 8.379 6.999 -0.376 1.00 0.00 N ATOM 354 CA GLY A 24 8.903 5.938 -1.221 1.00 0.00 C ATOM 355 C GLY A 24 9.610 4.861 -0.421 1.00 0.00 C ATOM 356 O GLY A 24 10.839 4.789 -0.418 1.00 0.00 O ATOM 0 H GLY A 24 8.941 7.850 -0.362 1.00 0.00 H new ATOM 0 HA2 GLY A 24 8.086 5.490 -1.786 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.597 6.363 -1.946 1.00 0.00 H new ATOM 360 N ASN A 25 8.828 4.027 0.266 1.00 0.00 N ATOM 361 CA ASN A 25 9.378 2.948 1.087 1.00 0.00 C ATOM 362 C ASN A 25 9.505 1.646 0.292 1.00 0.00 C ATOM 363 O ASN A 25 8.920 1.497 -0.783 1.00 0.00 O ATOM 364 CB ASN A 25 8.497 2.723 2.320 1.00 0.00 C ATOM 365 CG ASN A 25 9.259 2.098 3.473 1.00 0.00 C ATOM 366 OD1 ASN A 25 9.352 0.874 3.579 1.00 0.00 O ATOM 367 ND2 ASN A 25 9.813 2.932 4.346 1.00 0.00 N ATOM 0 H ASN A 25 7.809 4.079 0.270 1.00 0.00 H new ATOM 0 HA ASN A 25 10.377 3.247 1.404 1.00 0.00 H new ATOM 0 HB2 ASN A 25 8.077 3.676 2.641 1.00 0.00 H new ATOM 0 HB3 ASN A 25 7.659 2.080 2.051 1.00 0.00 H new ATOM 0 HD21 ASN A 25 10.338 2.565 5.139 1.00 0.00 H new ATOM 0 HD22 ASN A 25 9.713 3.940 4.223 1.00 0.00 H new ATOM 374 N MET A 26 10.273 0.705 0.841 1.00 0.00 N ATOM 375 CA MET A 26 10.486 -0.594 0.201 1.00 0.00 C ATOM 376 C MET A 26 9.275 -1.510 0.392 1.00 0.00 C ATOM 377 O MET A 26 8.421 -1.259 1.247 1.00 0.00 O ATOM 378 CB MET A 26 11.749 -1.259 0.763 1.00 0.00 C ATOM 379 CG MET A 26 12.935 -1.224 -0.188 1.00 0.00 C ATOM 380 SD MET A 26 12.793 -2.431 -1.521 1.00 0.00 S ATOM 381 CE MET A 26 14.473 -2.448 -2.144 1.00 0.00 C ATOM 0 H MET A 26 10.760 0.818 1.730 1.00 0.00 H new ATOM 0 HA MET A 26 10.617 -0.428 -0.868 1.00 0.00 H new ATOM 0 HB2 MET A 26 12.026 -0.763 1.693 1.00 0.00 H new ATOM 0 HB3 MET A 26 11.523 -2.296 1.010 1.00 0.00 H new ATOM 0 HG2 MET A 26 13.024 -0.225 -0.615 1.00 0.00 H new ATOM 0 HG3 MET A 26 13.851 -1.413 0.372 1.00 0.00 H new ATOM 0 HE1 MET A 26 14.546 -3.150 -2.975 1.00 0.00 H new ATOM 0 HE2 MET A 26 14.744 -1.450 -2.487 1.00 0.00 H new ATOM 0 HE3 MET A 26 15.153 -2.755 -1.349 1.00 0.00 H new ATOM 391 N TYR A 27 9.210 -2.573 -0.414 1.00 0.00 N ATOM 392 CA TYR A 27 8.105 -3.533 -0.348 1.00 0.00 C ATOM 393 C TYR A 27 8.066 -4.251 1.004 1.00 0.00 C ATOM 394 O TYR A 27 9.107 -4.580 1.575 1.00 0.00 O ATOM 395 CB TYR A 27 8.233 -4.570 -1.472 1.00 0.00 C ATOM 396 CG TYR A 27 7.219 -4.403 -2.583 1.00 0.00 C ATOM 397 CD1 TYR A 27 5.870 -4.655 -2.365 1.00 0.00 C ATOM 398 CD2 TYR A 27 7.613 -4.001 -3.853 1.00 0.00 C ATOM 399 CE1 TYR A 27 4.945 -4.510 -3.381 1.00 0.00 C ATOM 400 CE2 TYR A 27 6.692 -3.853 -4.872 1.00 0.00 C ATOM 401 CZ TYR A 27 5.360 -4.110 -4.630 1.00 0.00 C ATOM 402 OH TYR A 27 4.439 -3.965 -5.641 1.00 0.00 O ATOM 0 H TYR A 27 9.912 -2.791 -1.122 1.00 0.00 H new ATOM 0 HA TYR A 27 7.177 -2.974 -0.468 1.00 0.00 H new ATOM 0 HB2 TYR A 27 9.235 -4.508 -1.897 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.128 -5.568 -1.045 1.00 0.00 H new ATOM 0 HD1 TYR A 27 5.539 -4.969 -1.386 1.00 0.00 H new ATOM 0 HD2 TYR A 27 8.656 -3.801 -4.047 1.00 0.00 H new ATOM 0 HE1 TYR A 27 3.900 -4.710 -3.195 1.00 0.00 H new ATOM 0 HE2 TYR A 27 7.014 -3.537 -5.853 1.00 0.00 H new ATOM 0 HH TYR A 27 4.381 -4.799 -6.152 1.00 0.00 H new ATOM 412 N LYS A 28 6.852 -4.504 1.493 1.00 0.00 N ATOM 413 CA LYS A 28 6.648 -5.200 2.768 1.00 0.00 C ATOM 414 C LYS A 28 5.342 -5.994 2.714 1.00 0.00 C ATOM 415 O LYS A 28 4.344 -5.507 2.193 1.00 0.00 O ATOM 416 CB LYS A 28 6.598 -4.217 3.951 1.00 0.00 C ATOM 417 CG LYS A 28 7.701 -3.164 3.961 1.00 0.00 C ATOM 418 CD LYS A 28 9.023 -3.729 4.455 1.00 0.00 C ATOM 419 CE LYS A 28 10.182 -2.798 4.127 1.00 0.00 C ATOM 420 NZ LYS A 28 10.026 -1.458 4.770 1.00 0.00 N ATOM 0 H LYS A 28 5.988 -4.236 1.023 1.00 0.00 H new ATOM 0 HA LYS A 28 7.493 -5.872 2.921 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.633 -3.710 3.942 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.651 -4.786 4.879 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.831 -2.765 2.955 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.402 -2.332 4.598 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.974 -3.885 5.533 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.197 -4.704 3.999 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.116 -3.252 4.458 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.253 -2.675 3.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.904 -1.207 5.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.826 -0.744 4.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.239 -1.489 5.450 1.00 0.00 H new ATOM 434 N SER A 29 5.344 -7.213 3.248 1.00 0.00 N ATOM 435 CA SER A 29 4.138 -8.042 3.236 1.00 0.00 C ATOM 436 C SER A 29 3.216 -7.691 4.403 1.00 0.00 C ATOM 437 O SER A 29 3.673 -7.426 5.517 1.00 0.00 O ATOM 438 CB SER A 29 4.500 -9.526 3.276 1.00 0.00 C ATOM 439 OG SER A 29 3.351 -10.340 3.096 1.00 0.00 O ATOM 0 H SER A 29 6.155 -7.646 3.689 1.00 0.00 H new ATOM 0 HA SER A 29 3.605 -7.838 2.307 1.00 0.00 H new ATOM 0 HB2 SER A 29 5.230 -9.746 2.497 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.971 -9.763 4.230 1.00 0.00 H new ATOM 0 HG SER A 29 2.650 -9.822 2.647 1.00 0.00 H new ATOM 445 N ILE A 30 1.916 -7.684 4.123 1.00 0.00 N ATOM 446 CA ILE A 30 0.900 -7.356 5.121 1.00 0.00 C ATOM 447 C ILE A 30 -0.159 -8.453 5.212 1.00 0.00 C ATOM 448 O ILE A 30 -0.522 -9.064 4.203 1.00 0.00 O ATOM 449 CB ILE A 30 0.198 -6.017 4.789 1.00 0.00 C ATOM 450 CG1 ILE A 30 1.203 -4.977 4.277 1.00 0.00 C ATOM 451 CG2 ILE A 30 -0.553 -5.481 6.000 1.00 0.00 C ATOM 452 CD1 ILE A 30 2.234 -4.555 5.303 1.00 0.00 C ATOM 0 H ILE A 30 1.537 -7.904 3.202 1.00 0.00 H new ATOM 0 HA ILE A 30 1.416 -7.267 6.077 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.524 -6.210 3.996 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.718 -5.383 3.406 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.658 -4.095 3.942 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.037 -4.540 5.740 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.308 -6.204 6.309 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.148 -5.315 6.818 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.906 -3.819 4.862 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.731 -4.117 6.165 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.808 -5.425 5.621 1.00 0.00 H new ATOM 464 N LEU A 31 -0.660 -8.690 6.423 1.00 0.00 N ATOM 465 CA LEU A 31 -1.688 -9.704 6.647 1.00 0.00 C ATOM 466 C LEU A 31 -3.060 -9.199 6.199 1.00 0.00 C ATOM 467 O LEU A 31 -3.319 -7.995 6.188 1.00 0.00 O ATOM 468 CB LEU A 31 -1.734 -10.108 8.125 1.00 0.00 C ATOM 469 CG LEU A 31 -0.763 -11.223 8.520 1.00 0.00 C ATOM 470 CD1 LEU A 31 -0.058 -10.882 9.823 1.00 0.00 C ATOM 471 CD2 LEU A 31 -1.499 -12.551 8.642 1.00 0.00 C ATOM 0 H LEU A 31 -0.370 -8.193 7.265 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.430 -10.579 6.051 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.521 -9.229 8.733 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.748 -10.426 8.368 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.010 -11.316 7.738 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.628 -11.687 10.087 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.501 -9.954 9.702 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.797 -10.760 10.615 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.794 -13.333 8.923 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.274 -12.469 9.405 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.957 -12.802 7.685 1.00 0.00 H new ATOM 483 N VAL A 32 -3.929 -10.133 5.822 1.00 0.00 N ATOM 484 CA VAL A 32 -5.277 -9.802 5.360 1.00 0.00 C ATOM 485 C VAL A 32 -6.280 -10.864 5.815 1.00 0.00 C ATOM 486 O VAL A 32 -5.919 -12.026 5.999 1.00 0.00 O ATOM 487 CB VAL A 32 -5.321 -9.690 3.818 1.00 0.00 C ATOM 488 CG1 VAL A 32 -6.670 -9.172 3.345 1.00 0.00 C ATOM 489 CG2 VAL A 32 -4.201 -8.793 3.309 1.00 0.00 C ATOM 0 H VAL A 32 -3.723 -11.132 5.827 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.546 -8.840 5.795 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.177 -10.690 3.408 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.672 -9.103 2.257 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.456 -9.856 3.667 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.851 -8.185 3.771 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.252 -8.729 2.222 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.310 -7.796 3.737 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.238 -9.211 3.603 1.00 0.00 H new ATOM 499 N THR A 33 -7.538 -10.465 5.995 1.00 0.00 N ATOM 500 CA THR A 33 -8.584 -11.399 6.420 1.00 0.00 C ATOM 501 C THR A 33 -9.421 -11.863 5.225 1.00 0.00 C ATOM 502 O THR A 33 -9.266 -11.353 4.113 1.00 0.00 O ATOM 503 CB THR A 33 -9.489 -10.756 7.475 1.00 0.00 C ATOM 504 OG1 THR A 33 -10.318 -9.764 6.893 1.00 0.00 O ATOM 505 CG2 THR A 33 -8.727 -10.108 8.612 1.00 0.00 C ATOM 0 H THR A 33 -7.858 -9.507 5.855 1.00 0.00 H new ATOM 0 HA THR A 33 -8.095 -12.268 6.860 1.00 0.00 H new ATOM 0 HB THR A 33 -10.080 -11.577 7.880 1.00 0.00 H new ATOM 0 HG1 THR A 33 -9.783 -8.968 6.690 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.432 -9.673 9.321 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.120 -10.859 9.118 1.00 0.00 H new ATOM 0 HG23 THR A 33 -8.080 -9.325 8.217 1.00 0.00 H new ATOM 513 N SER A 34 -10.309 -12.832 5.461 1.00 0.00 N ATOM 514 CA SER A 34 -11.174 -13.365 4.404 1.00 0.00 C ATOM 515 C SER A 34 -12.040 -12.261 3.793 1.00 0.00 C ATOM 516 O SER A 34 -12.221 -12.207 2.576 1.00 0.00 O ATOM 517 CB SER A 34 -12.070 -14.487 4.947 1.00 0.00 C ATOM 518 OG SER A 34 -11.995 -14.577 6.360 1.00 0.00 O ATOM 0 H SER A 34 -10.448 -13.264 6.374 1.00 0.00 H new ATOM 0 HA SER A 34 -10.529 -13.773 3.626 1.00 0.00 H new ATOM 0 HB2 SER A 34 -13.102 -14.306 4.648 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.772 -15.438 4.505 1.00 0.00 H new ATOM 0 HG SER A 34 -12.497 -15.362 6.665 1.00 0.00 H new ATOM 524 N GLN A 35 -12.567 -11.384 4.647 1.00 0.00 N ATOM 525 CA GLN A 35 -13.408 -10.277 4.198 1.00 0.00 C ATOM 526 C GLN A 35 -12.805 -8.937 4.622 1.00 0.00 C ATOM 527 O GLN A 35 -13.452 -8.131 5.294 1.00 0.00 O ATOM 528 CB GLN A 35 -14.825 -10.427 4.761 1.00 0.00 C ATOM 529 CG GLN A 35 -15.658 -11.479 4.043 1.00 0.00 C ATOM 530 CD GLN A 35 -17.139 -11.370 4.360 1.00 0.00 C ATOM 531 OE1 GLN A 35 -17.953 -11.102 3.476 1.00 0.00 O ATOM 532 NE2 GLN A 35 -17.500 -11.574 5.622 1.00 0.00 N ATOM 0 H GLN A 35 -12.425 -11.420 5.656 1.00 0.00 H new ATOM 0 HA GLN A 35 -13.460 -10.300 3.109 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -14.761 -10.685 5.818 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -15.336 -9.466 4.698 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -15.513 -11.380 2.967 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -15.303 -12.471 4.323 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -16.795 -11.794 6.325 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -18.483 -11.511 5.888 1.00 0.00 H new ATOM 541 N ASP A 36 -11.554 -8.712 4.224 1.00 0.00 N ATOM 542 CA ASP A 36 -10.844 -7.479 4.560 1.00 0.00 C ATOM 543 C ASP A 36 -11.418 -6.280 3.805 1.00 0.00 C ATOM 544 O ASP A 36 -12.110 -6.435 2.796 1.00 0.00 O ATOM 545 CB ASP A 36 -9.355 -7.629 4.249 1.00 0.00 C ATOM 546 CG ASP A 36 -8.469 -6.922 5.255 1.00 0.00 C ATOM 547 OD1 ASP A 36 -8.394 -7.388 6.411 1.00 0.00 O ATOM 548 OD2 ASP A 36 -7.844 -5.907 4.887 1.00 0.00 O ATOM 0 H ASP A 36 -11.010 -9.370 3.666 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.974 -7.298 5.627 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.098 -8.688 4.227 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -9.155 -7.232 3.254 1.00 0.00 H new ATOM 553 N LYS A 37 -11.122 -5.083 4.308 1.00 0.00 N ATOM 554 CA LYS A 37 -11.605 -3.845 3.693 1.00 0.00 C ATOM 555 C LYS A 37 -10.509 -2.777 3.671 1.00 0.00 C ATOM 556 O LYS A 37 -9.510 -2.890 4.382 1.00 0.00 O ATOM 557 CB LYS A 37 -12.831 -3.318 4.448 1.00 0.00 C ATOM 558 CG LYS A 37 -13.940 -4.345 4.620 1.00 0.00 C ATOM 559 CD LYS A 37 -14.928 -4.304 3.464 1.00 0.00 C ATOM 560 CE LYS A 37 -15.345 -5.702 3.033 1.00 0.00 C ATOM 561 NZ LYS A 37 -14.603 -6.154 1.823 1.00 0.00 N ATOM 0 H LYS A 37 -10.550 -4.943 5.140 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.887 -4.070 2.664 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.517 -2.969 5.432 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -13.229 -2.454 3.916 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -13.505 -5.342 4.692 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.467 -4.159 5.556 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -15.810 -3.735 3.759 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -14.479 -3.781 2.619 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -15.168 -6.402 3.850 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -16.416 -5.715 2.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.866 -7.135 1.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.844 -5.541 1.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.580 -6.102 2.003 1.00 0.00 H new ATOM 575 N ALA A 38 -10.710 -1.745 2.844 1.00 0.00 N ATOM 576 CA ALA A 38 -9.747 -0.647 2.709 1.00 0.00 C ATOM 577 C ALA A 38 -9.124 -0.232 4.050 1.00 0.00 C ATOM 578 O ALA A 38 -7.900 -0.268 4.196 1.00 0.00 O ATOM 579 CB ALA A 38 -10.404 0.553 2.043 1.00 0.00 C ATOM 0 H ALA A 38 -11.537 -1.648 2.255 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.935 -1.016 2.082 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -9.677 1.360 1.949 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -10.761 0.269 1.053 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -11.245 0.890 2.649 1.00 0.00 H new ATOM 585 N PRO A 39 -9.947 0.176 5.046 1.00 0.00 N ATOM 586 CA PRO A 39 -9.447 0.601 6.360 1.00 0.00 C ATOM 587 C PRO A 39 -8.461 -0.396 6.969 1.00 0.00 C ATOM 588 O PRO A 39 -7.425 -0.001 7.501 1.00 0.00 O ATOM 589 CB PRO A 39 -10.708 0.717 7.231 1.00 0.00 C ATOM 590 CG PRO A 39 -11.835 0.171 6.412 1.00 0.00 C ATOM 591 CD PRO A 39 -11.413 0.267 4.973 1.00 0.00 C ATOM 0 HA PRO A 39 -8.891 1.535 6.284 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -10.593 0.155 8.158 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.895 1.754 7.508 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -12.045 -0.863 6.685 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -12.749 0.739 6.585 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -11.837 -0.539 4.374 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -11.736 1.204 4.520 1.00 0.00 H new ATOM 599 N ALA A 40 -8.784 -1.686 6.878 1.00 0.00 N ATOM 600 CA ALA A 40 -7.917 -2.734 7.413 1.00 0.00 C ATOM 601 C ALA A 40 -6.647 -2.881 6.573 1.00 0.00 C ATOM 602 O ALA A 40 -5.567 -3.125 7.112 1.00 0.00 O ATOM 603 CB ALA A 40 -8.668 -4.057 7.486 1.00 0.00 C ATOM 0 H ALA A 40 -9.638 -2.029 6.439 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.619 -2.446 8.421 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.009 -4.828 7.886 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.536 -3.947 8.137 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.997 -4.344 6.487 1.00 0.00 H new ATOM 609 N VAL A 41 -6.784 -2.722 5.255 1.00 0.00 N ATOM 610 CA VAL A 41 -5.647 -2.828 4.342 1.00 0.00 C ATOM 611 C VAL A 41 -4.569 -1.804 4.683 1.00 0.00 C ATOM 612 O VAL A 41 -3.413 -2.161 4.918 1.00 0.00 O ATOM 613 CB VAL A 41 -6.070 -2.615 2.872 1.00 0.00 C ATOM 614 CG1 VAL A 41 -4.874 -2.760 1.943 1.00 0.00 C ATOM 615 CG2 VAL A 41 -7.179 -3.575 2.477 1.00 0.00 C ATOM 0 H VAL A 41 -7.673 -2.519 4.797 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.252 -3.837 4.461 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.457 -1.600 2.777 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.193 -2.606 0.912 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.119 -2.018 2.203 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.452 -3.759 2.047 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.457 -3.402 1.437 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.831 -4.601 2.594 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.047 -3.411 3.116 1.00 0.00 H new ATOM 625 N ILE A 42 -4.955 -0.528 4.702 1.00 0.00 N ATOM 626 CA ILE A 42 -4.020 0.550 5.006 1.00 0.00 C ATOM 627 C ILE A 42 -3.583 0.505 6.469 1.00 0.00 C ATOM 628 O ILE A 42 -2.407 0.707 6.772 1.00 0.00 O ATOM 629 CB ILE A 42 -4.623 1.935 4.683 1.00 0.00 C ATOM 630 CG1 ILE A 42 -5.107 1.980 3.229 1.00 0.00 C ATOM 631 CG2 ILE A 42 -3.600 3.035 4.933 1.00 0.00 C ATOM 632 CD1 ILE A 42 -6.586 2.267 3.086 1.00 0.00 C ATOM 0 H ILE A 42 -5.908 -0.218 4.510 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.146 0.400 4.372 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.476 2.101 5.341 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.545 2.744 2.692 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.884 1.026 2.752 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -4.043 4.003 4.700 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.295 3.018 5.979 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.729 2.872 4.299 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.853 2.283 2.029 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -7.158 1.490 3.593 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -6.814 3.235 3.532 1.00 0.00 H new ATOM 644 N ARG A 43 -4.527 0.228 7.372 1.00 0.00 N ATOM 645 CA ARG A 43 -4.219 0.147 8.799 1.00 0.00 C ATOM 646 C ARG A 43 -3.155 -0.920 9.062 1.00 0.00 C ATOM 647 O ARG A 43 -2.177 -0.668 9.764 1.00 0.00 O ATOM 648 CB ARG A 43 -5.486 -0.157 9.608 1.00 0.00 C ATOM 649 CG ARG A 43 -5.286 -0.089 11.116 1.00 0.00 C ATOM 650 CD ARG A 43 -5.500 1.320 11.651 1.00 0.00 C ATOM 651 NE ARG A 43 -6.883 1.776 11.481 1.00 0.00 N ATOM 652 CZ ARG A 43 -7.349 2.940 11.935 1.00 0.00 C ATOM 653 NH1 ARG A 43 -6.557 3.766 12.607 1.00 0.00 N ATOM 654 NH2 ARG A 43 -8.613 3.276 11.720 1.00 0.00 N ATOM 0 H ARG A 43 -5.506 0.057 7.141 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.827 1.113 9.117 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -6.266 0.549 9.323 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -5.844 -1.152 9.343 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -5.979 -0.773 11.606 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.279 -0.423 11.365 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -5.238 1.348 12.709 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.828 2.007 11.138 1.00 0.00 H new ATOM 0 HE ARG A 43 -7.530 1.164 10.984 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -5.584 3.512 12.779 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -6.921 4.655 12.951 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -9.229 2.644 11.208 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -8.970 4.166 12.067 1.00 0.00 H new ATOM 668 N LYS A 44 -3.345 -2.107 8.481 1.00 0.00 N ATOM 669 CA LYS A 44 -2.393 -3.203 8.647 1.00 0.00 C ATOM 670 C LYS A 44 -1.082 -2.902 7.916 1.00 0.00 C ATOM 671 O LYS A 44 0.002 -3.193 8.428 1.00 0.00 O ATOM 672 CB LYS A 44 -2.992 -4.515 8.133 1.00 0.00 C ATOM 673 CG LYS A 44 -4.079 -5.079 9.035 1.00 0.00 C ATOM 674 CD LYS A 44 -4.585 -6.421 8.530 1.00 0.00 C ATOM 675 CE LYS A 44 -5.726 -6.257 7.537 1.00 0.00 C ATOM 676 NZ LYS A 44 -5.234 -6.081 6.140 1.00 0.00 N ATOM 0 H LYS A 44 -4.148 -2.331 7.893 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.179 -3.306 9.711 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.405 -4.351 7.138 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.196 -5.253 8.031 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.690 -5.194 10.047 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.909 -4.374 9.090 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.766 -6.963 8.057 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.921 -7.024 9.374 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.376 -7.131 7.585 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.330 -5.395 7.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.032 -6.160 5.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.794 -5.144 6.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.532 -6.817 5.924 1.00 0.00 H new ATOM 690 N ALA A 45 -1.187 -2.312 6.722 1.00 0.00 N ATOM 691 CA ALA A 45 -0.007 -1.967 5.932 1.00 0.00 C ATOM 692 C ALA A 45 0.835 -0.904 6.638 1.00 0.00 C ATOM 693 O ALA A 45 2.064 -0.984 6.637 1.00 0.00 O ATOM 694 CB ALA A 45 -0.410 -1.498 4.539 1.00 0.00 C ATOM 0 H ALA A 45 -2.075 -2.065 6.284 1.00 0.00 H new ATOM 0 HA ALA A 45 0.603 -2.864 5.829 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.483 -1.246 3.967 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.954 -2.294 4.030 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.048 -0.618 4.622 1.00 0.00 H new ATOM 700 N MET A 46 0.168 0.082 7.250 1.00 0.00 N ATOM 701 CA MET A 46 0.862 1.151 7.971 1.00 0.00 C ATOM 702 C MET A 46 1.643 0.584 9.158 1.00 0.00 C ATOM 703 O MET A 46 2.754 1.031 9.443 1.00 0.00 O ATOM 704 CB MET A 46 -0.133 2.229 8.441 1.00 0.00 C ATOM 705 CG MET A 46 -0.645 2.038 9.863 1.00 0.00 C ATOM 706 SD MET A 46 -2.178 2.932 10.180 1.00 0.00 S ATOM 707 CE MET A 46 -2.269 2.817 11.964 1.00 0.00 C ATOM 0 H MET A 46 -0.849 0.160 7.259 1.00 0.00 H new ATOM 0 HA MET A 46 1.571 1.617 7.286 1.00 0.00 H new ATOM 0 HB2 MET A 46 0.347 3.205 8.369 1.00 0.00 H new ATOM 0 HB3 MET A 46 -0.984 2.242 7.760 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.805 0.976 10.047 1.00 0.00 H new ATOM 0 HG3 MET A 46 0.117 2.372 10.567 1.00 0.00 H new ATOM 0 HE1 MET A 46 -2.800 3.683 12.358 1.00 0.00 H new ATOM 0 HE2 MET A 46 -2.801 1.907 12.243 1.00 0.00 H new ATOM 0 HE3 MET A 46 -1.261 2.790 12.379 1.00 0.00 H new ATOM 717 N ASP A 47 1.066 -0.414 9.836 1.00 0.00 N ATOM 718 CA ASP A 47 1.728 -1.046 10.976 1.00 0.00 C ATOM 719 C ASP A 47 3.078 -1.620 10.548 1.00 0.00 C ATOM 720 O ASP A 47 4.066 -1.519 11.278 1.00 0.00 O ATOM 721 CB ASP A 47 0.845 -2.150 11.574 1.00 0.00 C ATOM 722 CG ASP A 47 -0.433 -1.612 12.197 1.00 0.00 C ATOM 723 OD1 ASP A 47 -0.387 -0.530 12.822 1.00 0.00 O ATOM 724 OD2 ASP A 47 -1.481 -2.277 12.062 1.00 0.00 O ATOM 0 H ASP A 47 0.147 -0.798 9.615 1.00 0.00 H new ATOM 0 HA ASP A 47 1.893 -0.289 11.742 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.589 -2.867 10.793 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.412 -2.692 12.331 1.00 0.00 H new ATOM 729 N LYS A 48 3.117 -2.198 9.345 1.00 0.00 N ATOM 730 CA LYS A 48 4.353 -2.759 8.804 1.00 0.00 C ATOM 731 C LYS A 48 5.219 -1.652 8.194 1.00 0.00 C ATOM 732 O LYS A 48 6.449 -1.704 8.268 1.00 0.00 O ATOM 733 CB LYS A 48 4.054 -3.838 7.754 1.00 0.00 C ATOM 734 CG LYS A 48 4.762 -5.160 8.017 1.00 0.00 C ATOM 735 CD LYS A 48 6.275 -4.996 8.023 1.00 0.00 C ATOM 736 CE LYS A 48 6.823 -4.899 9.439 1.00 0.00 C ATOM 737 NZ LYS A 48 7.733 -3.728 9.609 1.00 0.00 N ATOM 0 H LYS A 48 2.308 -2.289 8.730 1.00 0.00 H new ATOM 0 HA LYS A 48 4.901 -3.224 9.624 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.979 -4.012 7.721 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.347 -3.468 6.772 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.436 -5.563 8.976 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.477 -5.884 7.253 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.735 -5.841 7.511 1.00 0.00 H new ATOM 0 HD3 LYS A 48 6.546 -4.100 7.465 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.995 -4.819 10.143 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.362 -5.815 9.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.774 -3.463 10.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.687 -3.979 9.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.374 -2.926 9.054 1.00 0.00 H new ATOM 751 N HIS A 49 4.564 -0.642 7.610 1.00 0.00 N ATOM 752 CA HIS A 49 5.252 0.489 7.003 1.00 0.00 C ATOM 753 C HIS A 49 5.196 1.705 7.926 1.00 0.00 C ATOM 754 O HIS A 49 4.851 2.807 7.494 1.00 0.00 O ATOM 755 CB HIS A 49 4.608 0.840 5.666 1.00 0.00 C ATOM 756 CG HIS A 49 5.171 0.094 4.506 1.00 0.00 C ATOM 757 ND1 HIS A 49 4.599 -1.047 3.993 1.00 0.00 N ATOM 758 CD2 HIS A 49 6.255 0.348 3.745 1.00 0.00 C ATOM 759 CE1 HIS A 49 5.310 -1.465 2.963 1.00 0.00 C ATOM 760 NE2 HIS A 49 6.322 -0.635 2.790 1.00 0.00 N ATOM 0 H HIS A 49 3.547 -0.591 7.548 1.00 0.00 H new ATOM 0 HA HIS A 49 6.293 0.210 6.842 1.00 0.00 H new ATOM 0 HB2 HIS A 49 3.538 0.642 5.727 1.00 0.00 H new ATOM 0 HB3 HIS A 49 4.725 1.909 5.488 1.00 0.00 H new ATOM 0 HD2 HIS A 49 6.943 1.172 3.865 1.00 0.00 H new ATOM 0 HE1 HIS A 49 5.100 -2.338 2.363 1.00 0.00 H new ATOM 0 HE2 HIS A 49 7.036 -0.712 2.066 1.00 0.00 H new ATOM 769 N ASN A 50 5.525 1.498 9.198 1.00 0.00 N ATOM 770 CA ASN A 50 5.507 2.581 10.184 1.00 0.00 C ATOM 771 C ASN A 50 6.645 3.578 9.928 1.00 0.00 C ATOM 772 O ASN A 50 7.468 3.846 10.807 1.00 0.00 O ATOM 773 CB ASN A 50 5.593 2.015 11.613 1.00 0.00 C ATOM 774 CG ASN A 50 4.326 2.258 12.419 1.00 0.00 C ATOM 775 OD1 ASN A 50 3.632 1.312 12.790 1.00 0.00 O ATOM 776 ND2 ASN A 50 4.007 3.524 12.697 1.00 0.00 N ATOM 0 H ASN A 50 5.807 0.592 9.573 1.00 0.00 H new ATOM 0 HA ASN A 50 4.562 3.115 10.081 1.00 0.00 H new ATOM 0 HB2 ASN A 50 5.787 0.944 11.564 1.00 0.00 H new ATOM 0 HB3 ASN A 50 6.439 2.469 12.129 1.00 0.00 H new ATOM 0 HD21 ASN A 50 3.164 3.732 13.233 1.00 0.00 H new ATOM 0 HD22 ASN A 50 4.606 4.284 12.373 1.00 0.00 H new ATOM 783 N LEU A 51 6.678 4.124 8.713 1.00 0.00 N ATOM 784 CA LEU A 51 7.697 5.093 8.315 1.00 0.00 C ATOM 785 C LEU A 51 7.051 6.263 7.575 1.00 0.00 C ATOM 786 O LEU A 51 7.064 6.319 6.344 1.00 0.00 O ATOM 787 CB LEU A 51 8.754 4.421 7.430 1.00 0.00 C ATOM 788 CG LEU A 51 9.365 3.139 8.005 1.00 0.00 C ATOM 789 CD1 LEU A 51 8.821 1.914 7.284 1.00 0.00 C ATOM 790 CD2 LEU A 51 10.882 3.185 7.914 1.00 0.00 C ATOM 0 H LEU A 51 6.002 3.908 7.980 1.00 0.00 H new ATOM 0 HA LEU A 51 8.186 5.474 9.211 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.303 4.189 6.465 1.00 0.00 H new ATOM 0 HB3 LEU A 51 9.556 5.135 7.243 1.00 0.00 H new ATOM 0 HG LEU A 51 9.086 3.067 9.056 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.268 1.014 7.708 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.738 1.872 7.403 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.067 1.977 6.224 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.299 2.267 8.327 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.181 3.282 6.870 1.00 0.00 H new ATOM 0 HD23 LEU A 51 11.255 4.039 8.479 1.00 0.00 H new ATOM 802 N GLU A 52 6.466 7.188 8.344 1.00 0.00 N ATOM 803 CA GLU A 52 5.787 8.359 7.784 1.00 0.00 C ATOM 804 C GLU A 52 4.608 7.952 6.885 1.00 0.00 C ATOM 805 O GLU A 52 4.124 8.753 6.081 1.00 0.00 O ATOM 806 CB GLU A 52 6.779 9.213 6.995 1.00 0.00 C ATOM 807 CG GLU A 52 7.869 9.839 7.853 1.00 0.00 C ATOM 808 CD GLU A 52 9.260 9.367 7.470 1.00 0.00 C ATOM 809 OE1 GLU A 52 9.612 8.217 7.810 1.00 0.00 O ATOM 810 OE2 GLU A 52 9.996 10.148 6.830 1.00 0.00 O ATOM 0 H GLU A 52 6.450 7.146 9.363 1.00 0.00 H new ATOM 0 HA GLU A 52 5.388 8.942 8.614 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.244 8.596 6.226 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.234 10.005 6.481 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.820 10.924 7.761 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.684 9.599 8.900 1.00 0.00 H new ATOM 817 N GLU A 53 4.147 6.706 7.034 1.00 0.00 N ATOM 818 CA GLU A 53 3.031 6.190 6.249 1.00 0.00 C ATOM 819 C GLU A 53 1.941 5.633 7.169 1.00 0.00 C ATOM 820 O GLU A 53 1.524 4.482 7.028 1.00 0.00 O ATOM 821 CB GLU A 53 3.524 5.098 5.287 1.00 0.00 C ATOM 822 CG GLU A 53 4.706 5.524 4.425 1.00 0.00 C ATOM 823 CD GLU A 53 5.643 4.377 4.081 1.00 0.00 C ATOM 824 OE1 GLU A 53 6.206 3.762 5.012 1.00 0.00 O ATOM 825 OE2 GLU A 53 5.820 4.100 2.878 1.00 0.00 O ATOM 0 H GLU A 53 4.536 6.035 7.697 1.00 0.00 H new ATOM 0 HA GLU A 53 2.606 7.008 5.667 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.807 4.218 5.865 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.701 4.801 4.637 1.00 0.00 H new ATOM 0 HG2 GLU A 53 4.333 5.968 3.502 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.267 6.299 4.947 1.00 0.00 H new ATOM 832 N GLU A 54 1.495 6.455 8.123 1.00 0.00 N ATOM 833 CA GLU A 54 0.473 6.044 9.078 1.00 0.00 C ATOM 834 C GLU A 54 -0.826 6.843 8.909 1.00 0.00 C ATOM 835 O GLU A 54 -1.167 7.685 9.745 1.00 0.00 O ATOM 836 CB GLU A 54 1.011 6.193 10.503 1.00 0.00 C ATOM 837 CG GLU A 54 0.094 5.605 11.559 1.00 0.00 C ATOM 838 CD GLU A 54 0.841 4.803 12.609 1.00 0.00 C ATOM 839 OE1 GLU A 54 1.035 3.587 12.399 1.00 0.00 O ATOM 840 OE2 GLU A 54 1.230 5.390 13.641 1.00 0.00 O ATOM 0 H GLU A 54 1.829 7.410 8.251 1.00 0.00 H new ATOM 0 HA GLU A 54 0.234 4.998 8.885 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.985 5.708 10.568 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.166 7.251 10.716 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.454 6.411 12.047 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.644 4.964 11.076 1.00 0.00 H new ATOM 847 N GLU A 55 -1.555 6.556 7.830 1.00 0.00 N ATOM 848 CA GLU A 55 -2.830 7.222 7.549 1.00 0.00 C ATOM 849 C GLU A 55 -3.813 6.225 6.921 1.00 0.00 C ATOM 850 O GLU A 55 -3.910 6.119 5.700 1.00 0.00 O ATOM 851 CB GLU A 55 -2.626 8.427 6.622 1.00 0.00 C ATOM 852 CG GLU A 55 -1.699 9.492 7.192 1.00 0.00 C ATOM 853 CD GLU A 55 -0.409 9.635 6.406 1.00 0.00 C ATOM 854 OE1 GLU A 55 0.278 8.610 6.189 1.00 0.00 O ATOM 855 OE2 GLU A 55 -0.080 10.772 6.010 1.00 0.00 O ATOM 0 H GLU A 55 -1.284 5.863 7.132 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.244 7.586 8.489 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.222 8.078 5.672 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.595 8.878 6.410 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.219 10.450 7.204 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.462 9.244 8.227 1.00 0.00 H new ATOM 862 N PRO A 56 -4.539 5.457 7.763 1.00 0.00 N ATOM 863 CA PRO A 56 -5.497 4.435 7.308 1.00 0.00 C ATOM 864 C PRO A 56 -6.458 4.913 6.215 1.00 0.00 C ATOM 865 O PRO A 56 -6.716 4.186 5.257 1.00 0.00 O ATOM 866 CB PRO A 56 -6.278 4.063 8.581 1.00 0.00 C ATOM 867 CG PRO A 56 -5.823 5.014 9.641 1.00 0.00 C ATOM 868 CD PRO A 56 -4.465 5.498 9.227 1.00 0.00 C ATOM 0 HA PRO A 56 -4.968 3.601 6.847 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -7.352 4.147 8.417 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.080 3.031 8.872 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -6.519 5.848 9.738 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -5.779 4.520 10.612 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.265 6.505 9.594 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.672 4.856 9.610 1.00 0.00 H new ATOM 876 N GLU A 57 -6.997 6.117 6.369 1.00 0.00 N ATOM 877 CA GLU A 57 -7.944 6.662 5.393 1.00 0.00 C ATOM 878 C GLU A 57 -7.302 7.736 4.507 1.00 0.00 C ATOM 879 O GLU A 57 -7.861 8.821 4.323 1.00 0.00 O ATOM 880 CB GLU A 57 -9.164 7.234 6.120 1.00 0.00 C ATOM 881 CG GLU A 57 -8.826 8.380 7.061 1.00 0.00 C ATOM 882 CD GLU A 57 -8.556 7.917 8.480 1.00 0.00 C ATOM 883 OE1 GLU A 57 -9.529 7.652 9.216 1.00 0.00 O ATOM 884 OE2 GLU A 57 -7.368 7.819 8.853 1.00 0.00 O ATOM 0 H GLU A 57 -6.798 6.735 7.156 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.255 5.847 4.739 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -9.887 7.581 5.382 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -9.645 6.438 6.688 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.950 8.908 6.683 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -9.650 9.094 7.067 1.00 0.00 H new ATOM 891 N ASP A 58 -6.123 7.436 3.962 1.00 0.00 N ATOM 892 CA ASP A 58 -5.417 8.390 3.108 1.00 0.00 C ATOM 893 C ASP A 58 -4.571 7.711 2.023 1.00 0.00 C ATOM 894 O ASP A 58 -3.532 8.245 1.627 1.00 0.00 O ATOM 895 CB ASP A 58 -4.521 9.267 3.975 1.00 0.00 C ATOM 896 CG ASP A 58 -4.714 10.744 3.705 1.00 0.00 C ATOM 897 OD1 ASP A 58 -5.789 11.276 4.054 1.00 0.00 O ATOM 898 OD2 ASP A 58 -3.794 11.369 3.137 1.00 0.00 O ATOM 0 H ASP A 58 -5.640 6.547 4.095 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.171 8.987 2.596 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.727 9.064 5.026 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.479 9.002 3.798 1.00 0.00 H new ATOM 903 N TYR A 59 -4.993 6.539 1.545 1.00 0.00 N ATOM 904 CA TYR A 59 -4.224 5.832 0.522 1.00 0.00 C ATOM 905 C TYR A 59 -5.098 5.202 -0.560 1.00 0.00 C ATOM 906 O TYR A 59 -6.303 5.019 -0.395 1.00 0.00 O ATOM 907 CB TYR A 59 -3.396 4.728 1.170 1.00 0.00 C ATOM 908 CG TYR A 59 -2.252 5.229 2.007 1.00 0.00 C ATOM 909 CD1 TYR A 59 -2.484 5.825 3.232 1.00 0.00 C ATOM 910 CD2 TYR A 59 -0.943 5.100 1.573 1.00 0.00 C ATOM 911 CE1 TYR A 59 -1.446 6.283 4.008 1.00 0.00 C ATOM 912 CE2 TYR A 59 0.105 5.554 2.345 1.00 0.00 C ATOM 913 CZ TYR A 59 -0.151 6.145 3.563 1.00 0.00 C ATOM 914 OH TYR A 59 0.893 6.597 4.337 1.00 0.00 O ATOM 0 H TYR A 59 -5.847 6.067 1.843 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.589 6.579 0.046 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.049 4.118 1.794 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -3.003 4.077 0.389 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.499 5.933 3.586 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -0.741 4.638 0.618 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.646 6.749 4.962 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.122 5.447 1.997 1.00 0.00 H new ATOM 0 HH TYR A 59 0.571 7.295 4.945 1.00 0.00 H new ATOM 924 N GLU A 60 -4.438 4.829 -1.651 1.00 0.00 N ATOM 925 CA GLU A 60 -5.073 4.160 -2.778 1.00 0.00 C ATOM 926 C GLU A 60 -4.438 2.784 -2.941 1.00 0.00 C ATOM 927 O GLU A 60 -3.228 2.630 -2.756 1.00 0.00 O ATOM 928 CB GLU A 60 -4.910 4.973 -4.065 1.00 0.00 C ATOM 929 CG GLU A 60 -6.186 5.671 -4.503 1.00 0.00 C ATOM 930 CD GLU A 60 -6.301 5.796 -6.010 1.00 0.00 C ATOM 931 OE1 GLU A 60 -6.640 4.790 -6.668 1.00 0.00 O ATOM 932 OE2 GLU A 60 -6.052 6.901 -6.535 1.00 0.00 O ATOM 0 H GLU A 60 -3.438 4.984 -1.778 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.141 4.062 -2.585 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.129 5.719 -3.918 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.574 4.312 -4.864 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.045 5.119 -4.122 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.222 6.665 -4.057 1.00 0.00 H new ATOM 939 N LEU A 61 -5.246 1.780 -3.254 1.00 0.00 N ATOM 940 CA LEU A 61 -4.728 0.424 -3.395 1.00 0.00 C ATOM 941 C LEU A 61 -4.539 0.014 -4.853 1.00 0.00 C ATOM 942 O LEU A 61 -5.440 0.161 -5.678 1.00 0.00 O ATOM 943 CB LEU A 61 -5.649 -0.570 -2.687 1.00 0.00 C ATOM 944 CG LEU A 61 -5.069 -1.192 -1.417 1.00 0.00 C ATOM 945 CD1 LEU A 61 -5.747 -0.619 -0.183 1.00 0.00 C ATOM 946 CD2 LEU A 61 -5.208 -2.705 -1.456 1.00 0.00 C ATOM 0 H LEU A 61 -6.249 1.875 -3.413 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.743 0.411 -2.928 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.580 -0.063 -2.433 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.901 -1.370 -3.384 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.008 -0.947 -1.365 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.321 -1.074 0.711 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.592 0.459 -0.150 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.815 -0.831 -0.223 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.790 -3.132 -0.544 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.262 -2.972 -1.532 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.671 -3.098 -2.320 1.00 0.00 H new ATOM 958 N LEU A 62 -3.361 -0.532 -5.143 1.00 0.00 N ATOM 959 CA LEU A 62 -3.022 -1.011 -6.482 1.00 0.00 C ATOM 960 C LEU A 62 -2.536 -2.456 -6.394 1.00 0.00 C ATOM 961 O LEU A 62 -2.073 -2.882 -5.339 1.00 0.00 O ATOM 962 CB LEU A 62 -1.945 -0.125 -7.116 1.00 0.00 C ATOM 963 CG LEU A 62 -2.303 1.359 -7.224 1.00 0.00 C ATOM 964 CD1 LEU A 62 -1.836 2.118 -5.991 1.00 0.00 C ATOM 965 CD2 LEU A 62 -1.697 1.961 -8.483 1.00 0.00 C ATOM 0 H LEU A 62 -2.615 -0.655 -4.458 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.910 -0.966 -7.112 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.029 -0.220 -6.533 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.727 -0.503 -8.115 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.388 1.446 -7.286 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.101 3.171 -6.090 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.317 1.704 -5.105 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.754 2.024 -5.894 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.961 3.017 -8.545 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.612 1.860 -8.449 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.083 1.439 -9.358 1.00 0.00 H new ATOM 977 N GLN A 63 -2.647 -3.216 -7.481 1.00 0.00 N ATOM 978 CA GLN A 63 -2.212 -4.614 -7.461 1.00 0.00 C ATOM 979 C GLN A 63 -1.521 -5.030 -8.752 1.00 0.00 C ATOM 980 O GLN A 63 -2.049 -4.839 -9.848 1.00 0.00 O ATOM 981 CB GLN A 63 -3.395 -5.549 -7.190 1.00 0.00 C ATOM 982 CG GLN A 63 -3.169 -6.490 -6.016 1.00 0.00 C ATOM 983 CD GLN A 63 -2.341 -7.710 -6.380 1.00 0.00 C ATOM 984 OE1 GLN A 63 -1.179 -7.594 -6.758 1.00 0.00 O ATOM 985 NE2 GLN A 63 -2.934 -8.891 -6.261 1.00 0.00 N ATOM 0 H GLN A 63 -3.027 -2.897 -8.372 1.00 0.00 H new ATOM 0 HA GLN A 63 -1.486 -4.698 -6.653 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -4.285 -4.950 -6.999 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -3.594 -6.139 -8.085 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -2.670 -5.946 -5.213 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -4.134 -6.816 -5.629 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -3.902 -8.946 -5.943 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -2.422 -9.744 -6.487 1.00 0.00 H new ATOM 994 N ILE A 64 -0.346 -5.634 -8.598 1.00 0.00 N ATOM 995 CA ILE A 64 0.432 -6.128 -9.725 1.00 0.00 C ATOM 996 C ILE A 64 0.206 -7.633 -9.868 1.00 0.00 C ATOM 997 O ILE A 64 0.536 -8.408 -8.964 1.00 0.00 O ATOM 998 CB ILE A 64 1.938 -5.851 -9.537 1.00 0.00 C ATOM 999 CG1 ILE A 64 2.210 -4.344 -9.532 1.00 0.00 C ATOM 1000 CG2 ILE A 64 2.749 -6.537 -10.629 1.00 0.00 C ATOM 1001 CD1 ILE A 64 3.377 -3.944 -8.655 1.00 0.00 C ATOM 0 H ILE A 64 0.091 -5.793 -7.690 1.00 0.00 H new ATOM 0 HA ILE A 64 0.103 -5.606 -10.624 1.00 0.00 H new ATOM 0 HB ILE A 64 2.245 -6.259 -8.574 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.403 -4.014 -10.553 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.315 -3.822 -9.193 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.809 -6.330 -10.480 1.00 0.00 H new ATOM 0 HG22 ILE A 64 2.580 -7.613 -10.586 1.00 0.00 H new ATOM 0 HG23 ILE A 64 2.440 -6.159 -11.604 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.512 -2.863 -8.700 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.178 -4.243 -7.626 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.283 -4.438 -9.007 1.00 0.00 H new ATOM 1013 N LEU A 65 -0.379 -8.039 -10.993 1.00 0.00 N ATOM 1014 CA LEU A 65 -0.674 -9.443 -11.239 1.00 0.00 C ATOM 1015 C LEU A 65 -0.210 -9.874 -12.633 1.00 0.00 C ATOM 1016 O LEU A 65 0.403 -9.097 -13.366 1.00 0.00 O ATOM 1017 CB LEU A 65 -2.182 -9.681 -11.074 1.00 0.00 C ATOM 1018 CG LEU A 65 -2.731 -9.380 -9.674 1.00 0.00 C ATOM 1019 CD1 LEU A 65 -4.008 -8.558 -9.748 1.00 0.00 C ATOM 1020 CD2 LEU A 65 -2.977 -10.670 -8.915 1.00 0.00 C ATOM 0 H LEU A 65 -0.657 -7.412 -11.748 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.129 -10.047 -10.514 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.714 -9.064 -11.798 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.401 -10.720 -11.319 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.984 -8.793 -9.139 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.373 -8.361 -8.740 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.804 -7.613 -10.251 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.764 -9.110 -10.306 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.366 -10.440 -7.923 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.701 -11.279 -9.457 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.041 -11.220 -8.819 1.00 0.00 H new ATOM 1032 N SER A 66 -0.516 -11.118 -12.990 1.00 0.00 N ATOM 1033 CA SER A 66 -0.150 -11.667 -14.295 1.00 0.00 C ATOM 1034 C SER A 66 -1.305 -11.489 -15.269 1.00 0.00 C ATOM 1035 O SER A 66 -1.181 -10.789 -16.276 1.00 0.00 O ATOM 1036 CB SER A 66 0.218 -13.151 -14.172 1.00 0.00 C ATOM 1037 OG SER A 66 -0.668 -13.830 -13.295 1.00 0.00 O ATOM 0 H SER A 66 -1.020 -11.770 -12.390 1.00 0.00 H new ATOM 0 HA SER A 66 0.721 -11.130 -14.671 1.00 0.00 H new ATOM 0 HB2 SER A 66 0.188 -13.618 -15.156 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.240 -13.245 -13.805 1.00 0.00 H new ATOM 0 HG SER A 66 -0.411 -14.774 -13.237 1.00 0.00 H new ATOM 1043 N ASP A 67 -2.439 -12.102 -14.937 1.00 0.00 N ATOM 1044 CA ASP A 67 -3.643 -11.992 -15.754 1.00 0.00 C ATOM 1045 C ASP A 67 -4.197 -10.565 -15.684 1.00 0.00 C ATOM 1046 O ASP A 67 -4.922 -10.123 -16.577 1.00 0.00 O ATOM 1047 CB ASP A 67 -4.701 -12.996 -15.283 1.00 0.00 C ATOM 1048 CG ASP A 67 -4.148 -14.403 -15.141 1.00 0.00 C ATOM 1049 OD1 ASP A 67 -3.485 -14.681 -14.118 1.00 0.00 O ATOM 1050 OD2 ASP A 67 -4.375 -15.225 -16.053 1.00 0.00 O ATOM 0 H ASP A 67 -2.548 -12.682 -14.105 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.386 -12.220 -16.789 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.105 -12.670 -14.325 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.529 -13.005 -15.992 1.00 0.00 H new ATOM 1055 N ASP A 68 -3.827 -9.846 -14.618 1.00 0.00 N ATOM 1056 CA ASP A 68 -4.254 -8.468 -14.416 1.00 0.00 C ATOM 1057 C ASP A 68 -3.035 -7.594 -14.111 1.00 0.00 C ATOM 1058 O ASP A 68 -2.966 -6.949 -13.063 1.00 0.00 O ATOM 1059 CB ASP A 68 -5.278 -8.392 -13.278 1.00 0.00 C ATOM 1060 CG ASP A 68 -6.526 -9.206 -13.565 1.00 0.00 C ATOM 1061 OD1 ASP A 68 -6.502 -10.433 -13.329 1.00 0.00 O ATOM 1062 OD2 ASP A 68 -7.524 -8.616 -14.026 1.00 0.00 O ATOM 0 H ASP A 68 -3.226 -10.206 -13.877 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.731 -8.100 -15.324 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.819 -8.749 -12.356 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.557 -7.351 -13.113 1.00 0.00 H new ATOM 1067 N ARG A 69 -2.072 -7.618 -15.047 1.00 0.00 N ATOM 1068 CA ARG A 69 -0.802 -6.872 -14.952 1.00 0.00 C ATOM 1069 C ARG A 69 -0.758 -5.884 -13.784 1.00 0.00 C ATOM 1070 O ARG A 69 -0.022 -6.099 -12.822 1.00 0.00 O ATOM 1071 CB ARG A 69 -0.496 -6.144 -16.272 1.00 0.00 C ATOM 1072 CG ARG A 69 -1.726 -5.757 -17.092 1.00 0.00 C ATOM 1073 CD ARG A 69 -1.867 -6.602 -18.356 1.00 0.00 C ATOM 1074 NE ARG A 69 -0.595 -6.758 -19.071 1.00 0.00 N ATOM 1075 CZ ARG A 69 0.153 -7.865 -19.050 1.00 0.00 C ATOM 1076 NH1 ARG A 69 -0.216 -8.923 -18.336 1.00 0.00 N ATOM 1077 NH2 ARG A 69 1.280 -7.911 -19.745 1.00 0.00 N ATOM 0 H ARG A 69 -2.153 -8.164 -15.905 1.00 0.00 H new ATOM 0 HA ARG A 69 -0.032 -7.619 -14.758 1.00 0.00 H new ATOM 0 HB2 ARG A 69 0.073 -5.241 -16.049 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.144 -6.782 -16.882 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -2.620 -5.872 -16.479 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -1.661 -4.704 -17.366 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -2.254 -7.586 -18.090 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -2.599 -6.140 -19.019 1.00 0.00 H new ATOM 0 HE ARG A 69 -0.259 -5.968 -19.621 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -1.080 -8.897 -17.795 1.00 0.00 H new ATOM 0 HH12 ARG A 69 0.365 -9.761 -18.329 1.00 0.00 H new ATOM 0 HH21 ARG A 69 1.574 -7.103 -20.294 1.00 0.00 H new ATOM 0 HH22 ARG A 69 1.854 -8.754 -19.731 1.00 0.00 H new ATOM 1091 N LYS A 70 -1.540 -4.811 -13.864 1.00 0.00 N ATOM 1092 CA LYS A 70 -1.571 -3.815 -12.795 1.00 0.00 C ATOM 1093 C LYS A 70 -2.950 -3.164 -12.680 1.00 0.00 C ATOM 1094 O LYS A 70 -3.468 -2.604 -13.647 1.00 0.00 O ATOM 1095 CB LYS A 70 -0.506 -2.741 -13.029 1.00 0.00 C ATOM 1096 CG LYS A 70 0.811 -3.016 -12.321 1.00 0.00 C ATOM 1097 CD LYS A 70 1.807 -3.707 -13.241 1.00 0.00 C ATOM 1098 CE LYS A 70 2.598 -2.702 -14.065 1.00 0.00 C ATOM 1099 NZ LYS A 70 3.910 -2.373 -13.437 1.00 0.00 N ATOM 0 H LYS A 70 -2.157 -4.609 -14.651 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.357 -4.331 -11.859 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -0.321 -2.654 -14.100 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -0.894 -1.779 -12.693 1.00 0.00 H new ATOM 0 HG2 LYS A 70 1.235 -2.078 -11.963 1.00 0.00 H new ATOM 0 HG3 LYS A 70 0.631 -3.639 -11.445 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.493 -4.312 -12.647 1.00 0.00 H new ATOM 0 HD3 LYS A 70 1.277 -4.388 -13.907 1.00 0.00 H new ATOM 0 HE2 LYS A 70 2.765 -3.104 -15.064 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.013 -1.790 -14.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.416 -1.685 -14.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.751 -1.965 -12.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.479 -3.239 -13.348 1.00 0.00 H new ATOM 1113 N LEU A 71 -3.528 -3.240 -11.482 1.00 0.00 N ATOM 1114 CA LEU A 71 -4.843 -2.658 -11.211 1.00 0.00 C ATOM 1115 C LEU A 71 -4.744 -1.608 -10.102 1.00 0.00 C ATOM 1116 O LEU A 71 -3.823 -1.649 -9.285 1.00 0.00 O ATOM 1117 CB LEU A 71 -5.837 -3.761 -10.817 1.00 0.00 C ATOM 1118 CG LEU A 71 -5.712 -4.275 -9.378 1.00 0.00 C ATOM 1119 CD1 LEU A 71 -6.627 -3.497 -8.445 1.00 0.00 C ATOM 1120 CD2 LEU A 71 -6.027 -5.763 -9.316 1.00 0.00 C ATOM 0 H LEU A 71 -3.103 -3.702 -10.678 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.203 -2.169 -12.116 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.849 -3.384 -10.964 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.709 -4.602 -11.498 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.684 -4.124 -9.049 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.521 -3.879 -7.430 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.355 -2.442 -8.466 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.661 -3.612 -8.770 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.934 -6.112 -8.288 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.045 -5.934 -9.666 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.328 -6.310 -9.949 1.00 0.00 H new ATOM 1132 N LYS A 72 -5.689 -0.668 -10.076 1.00 0.00 N ATOM 1133 CA LYS A 72 -5.690 0.381 -9.061 1.00 0.00 C ATOM 1134 C LYS A 72 -7.113 0.735 -8.631 1.00 0.00 C ATOM 1135 O LYS A 72 -7.999 0.928 -9.466 1.00 0.00 O ATOM 1136 CB LYS A 72 -4.964 1.621 -9.590 1.00 0.00 C ATOM 1137 CG LYS A 72 -5.202 2.877 -8.765 1.00 0.00 C ATOM 1138 CD LYS A 72 -4.723 4.124 -9.493 1.00 0.00 C ATOM 1139 CE LYS A 72 -4.038 5.102 -8.548 1.00 0.00 C ATOM 1140 NZ LYS A 72 -4.487 6.507 -8.776 1.00 0.00 N ATOM 0 H LYS A 72 -6.459 -0.613 -10.743 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.162 0.008 -8.183 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -3.894 1.417 -9.621 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -5.283 1.806 -10.616 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.265 2.971 -8.542 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -4.683 2.790 -7.811 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.031 3.839 -10.285 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.571 4.614 -9.971 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.248 4.817 -7.517 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.958 5.040 -8.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.662 7.141 -8.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.964 6.574 -9.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.147 6.787 -8.023 1.00 0.00 H new ATOM 1154 N ILE A 73 -7.315 0.821 -7.318 1.00 0.00 N ATOM 1155 CA ILE A 73 -8.619 1.151 -6.751 1.00 0.00 C ATOM 1156 C ILE A 73 -8.500 2.298 -5.743 1.00 0.00 C ATOM 1157 O ILE A 73 -7.566 2.331 -4.937 1.00 0.00 O ATOM 1158 CB ILE A 73 -9.254 -0.077 -6.056 1.00 0.00 C ATOM 1159 CG1 ILE A 73 -9.424 -1.229 -7.055 1.00 0.00 C ATOM 1160 CG2 ILE A 73 -10.591 0.279 -5.413 1.00 0.00 C ATOM 1161 CD1 ILE A 73 -10.452 -0.961 -8.134 1.00 0.00 C ATOM 0 H ILE A 73 -6.585 0.665 -6.623 1.00 0.00 H new ATOM 0 HA ILE A 73 -9.262 1.461 -7.575 1.00 0.00 H new ATOM 0 HB ILE A 73 -8.580 -0.400 -5.263 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -8.462 -1.433 -7.526 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -9.710 -2.129 -6.511 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -11.011 -0.605 -4.933 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -10.440 1.059 -4.667 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -11.279 0.638 -6.179 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -10.513 -1.822 -8.800 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -11.425 -0.788 -7.674 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -10.159 -0.080 -8.705 1.00 0.00 H new ATOM 1173 N PRO A 74 -9.452 3.255 -5.780 1.00 0.00 N ATOM 1174 CA PRO A 74 -9.464 4.414 -4.870 1.00 0.00 C ATOM 1175 C PRO A 74 -9.504 4.012 -3.392 1.00 0.00 C ATOM 1176 O PRO A 74 -9.471 2.826 -3.057 1.00 0.00 O ATOM 1177 CB PRO A 74 -10.746 5.170 -5.258 1.00 0.00 C ATOM 1178 CG PRO A 74 -11.565 4.191 -6.028 1.00 0.00 C ATOM 1179 CD PRO A 74 -10.588 3.284 -6.714 1.00 0.00 C ATOM 0 HA PRO A 74 -8.556 5.008 -4.971 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -11.279 5.519 -4.374 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -10.517 6.050 -5.860 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -12.223 3.627 -5.367 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -12.201 4.699 -6.753 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -11.004 2.289 -6.874 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -10.297 3.669 -7.691 1.00 0.00 H new ATOM 1187 N GLU A 75 -9.571 5.019 -2.511 1.00 0.00 N ATOM 1188 CA GLU A 75 -9.613 4.795 -1.059 1.00 0.00 C ATOM 1189 C GLU A 75 -10.584 3.675 -0.670 1.00 0.00 C ATOM 1190 O GLU A 75 -10.366 2.988 0.328 1.00 0.00 O ATOM 1191 CB GLU A 75 -9.996 6.088 -0.332 1.00 0.00 C ATOM 1192 CG GLU A 75 -8.837 6.737 0.412 1.00 0.00 C ATOM 1193 CD GLU A 75 -8.715 6.256 1.846 1.00 0.00 C ATOM 1194 OE1 GLU A 75 -9.578 6.626 2.671 1.00 0.00 O ATOM 1195 OE2 GLU A 75 -7.756 5.515 2.146 1.00 0.00 O ATOM 0 H GLU A 75 -9.597 6.002 -2.780 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.613 4.484 -0.756 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -10.394 6.798 -1.057 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -10.796 5.873 0.376 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -7.908 6.526 -0.117 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -8.968 7.819 0.407 1.00 0.00 H new ATOM 1202 N ASN A 76 -11.643 3.481 -1.461 1.00 0.00 N ATOM 1203 CA ASN A 76 -12.621 2.424 -1.184 1.00 0.00 C ATOM 1204 C ASN A 76 -12.084 1.057 -1.631 1.00 0.00 C ATOM 1205 O ASN A 76 -12.709 0.354 -2.430 1.00 0.00 O ATOM 1206 CB ASN A 76 -13.969 2.723 -1.862 1.00 0.00 C ATOM 1207 CG ASN A 76 -13.828 3.185 -3.305 1.00 0.00 C ATOM 1208 OD1 ASN A 76 -13.721 2.370 -4.218 1.00 0.00 O ATOM 1209 ND2 ASN A 76 -13.826 4.498 -3.519 1.00 0.00 N ATOM 0 H ASN A 76 -11.845 4.037 -2.292 1.00 0.00 H new ATOM 0 HA ASN A 76 -12.785 2.395 -0.107 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -14.589 1.827 -1.834 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -14.492 3.490 -1.292 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -13.733 4.860 -4.468 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -13.917 5.143 -2.734 1.00 0.00 H new ATOM 1216 N ALA A 77 -10.915 0.687 -1.097 1.00 0.00 N ATOM 1217 CA ALA A 77 -10.270 -0.588 -1.424 1.00 0.00 C ATOM 1218 C ALA A 77 -11.077 -1.808 -0.958 1.00 0.00 C ATOM 1219 O ALA A 77 -10.684 -2.945 -1.222 1.00 0.00 O ATOM 1220 CB ALA A 77 -8.865 -0.628 -0.840 1.00 0.00 C ATOM 0 H ALA A 77 -10.394 1.258 -0.432 1.00 0.00 H new ATOM 0 HA ALA A 77 -10.219 -0.646 -2.511 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -8.395 -1.579 -1.089 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.275 0.188 -1.256 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -8.918 -0.522 0.244 1.00 0.00 H new ATOM 1226 N ASN A 78 -12.207 -1.579 -0.285 1.00 0.00 N ATOM 1227 CA ASN A 78 -13.062 -2.672 0.183 1.00 0.00 C ATOM 1228 C ASN A 78 -13.345 -3.656 -0.960 1.00 0.00 C ATOM 1229 O ASN A 78 -13.318 -4.873 -0.764 1.00 0.00 O ATOM 1230 CB ASN A 78 -14.372 -2.097 0.751 1.00 0.00 C ATOM 1231 CG ASN A 78 -15.619 -2.835 0.285 1.00 0.00 C ATOM 1232 OD1 ASN A 78 -15.792 -4.023 0.557 1.00 0.00 O ATOM 1233 ND2 ASN A 78 -16.496 -2.132 -0.420 1.00 0.00 N ATOM 0 H ASN A 78 -12.551 -0.647 -0.052 1.00 0.00 H new ATOM 0 HA ASN A 78 -12.548 -3.217 0.975 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -14.329 -2.127 1.840 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -14.453 -1.049 0.464 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -17.351 -2.574 -0.758 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -16.315 -1.149 -0.624 1.00 0.00 H new ATOM 1240 N VAL A 79 -13.609 -3.110 -2.150 1.00 0.00 N ATOM 1241 CA VAL A 79 -13.895 -3.922 -3.336 1.00 0.00 C ATOM 1242 C VAL A 79 -12.614 -4.334 -4.073 1.00 0.00 C ATOM 1243 O VAL A 79 -12.604 -5.331 -4.797 1.00 0.00 O ATOM 1244 CB VAL A 79 -14.822 -3.169 -4.315 1.00 0.00 C ATOM 1245 CG1 VAL A 79 -15.313 -4.097 -5.418 1.00 0.00 C ATOM 1246 CG2 VAL A 79 -15.995 -2.548 -3.572 1.00 0.00 C ATOM 0 H VAL A 79 -13.631 -2.104 -2.318 1.00 0.00 H new ATOM 0 HA VAL A 79 -14.396 -4.823 -2.981 1.00 0.00 H new ATOM 0 HB VAL A 79 -14.248 -2.367 -4.779 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -15.964 -3.544 -6.095 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -14.459 -4.487 -5.973 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -15.867 -4.925 -4.977 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -16.636 -2.022 -4.279 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -16.568 -3.332 -3.076 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -15.623 -1.845 -2.827 1.00 0.00 H new ATOM 1256 N PHE A 80 -11.540 -3.560 -3.888 1.00 0.00 N ATOM 1257 CA PHE A 80 -10.251 -3.833 -4.532 1.00 0.00 C ATOM 1258 C PHE A 80 -9.859 -5.310 -4.429 1.00 0.00 C ATOM 1259 O PHE A 80 -9.441 -5.914 -5.417 1.00 0.00 O ATOM 1260 CB PHE A 80 -9.164 -2.947 -3.904 1.00 0.00 C ATOM 1261 CG PHE A 80 -7.755 -3.358 -4.234 1.00 0.00 C ATOM 1262 CD1 PHE A 80 -7.201 -4.503 -3.682 1.00 0.00 C ATOM 1263 CD2 PHE A 80 -6.980 -2.591 -5.084 1.00 0.00 C ATOM 1264 CE1 PHE A 80 -5.907 -4.873 -3.976 1.00 0.00 C ATOM 1265 CE2 PHE A 80 -5.683 -2.955 -5.379 1.00 0.00 C ATOM 1266 CZ PHE A 80 -5.145 -4.097 -4.824 1.00 0.00 C ATOM 0 H PHE A 80 -11.539 -2.732 -3.292 1.00 0.00 H new ATOM 0 HA PHE A 80 -10.349 -3.599 -5.592 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -9.316 -1.919 -4.234 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -9.287 -2.956 -2.821 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -7.791 -5.112 -3.013 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -7.395 -1.696 -5.522 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -5.490 -5.770 -3.543 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -5.089 -2.346 -6.044 1.00 0.00 H new ATOM 0 HZ PHE A 80 -4.129 -4.383 -5.053 1.00 0.00 H new ATOM 1276 N TYR A 81 -9.982 -5.881 -3.227 1.00 0.00 N ATOM 1277 CA TYR A 81 -9.621 -7.282 -2.998 1.00 0.00 C ATOM 1278 C TYR A 81 -10.392 -8.235 -3.912 1.00 0.00 C ATOM 1279 O TYR A 81 -9.860 -9.270 -4.320 1.00 0.00 O ATOM 1280 CB TYR A 81 -9.841 -7.656 -1.531 1.00 0.00 C ATOM 1281 CG TYR A 81 -8.701 -7.240 -0.625 1.00 0.00 C ATOM 1282 CD1 TYR A 81 -7.383 -7.303 -1.061 1.00 0.00 C ATOM 1283 CD2 TYR A 81 -8.944 -6.784 0.662 1.00 0.00 C ATOM 1284 CE1 TYR A 81 -6.343 -6.926 -0.239 1.00 0.00 C ATOM 1285 CE2 TYR A 81 -7.905 -6.403 1.490 1.00 0.00 C ATOM 1286 CZ TYR A 81 -6.607 -6.476 1.034 1.00 0.00 C ATOM 1287 OH TYR A 81 -5.572 -6.101 1.859 1.00 0.00 O ATOM 0 H TYR A 81 -10.328 -5.395 -2.400 1.00 0.00 H new ATOM 0 HA TYR A 81 -8.563 -7.387 -3.240 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -10.762 -7.191 -1.180 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -9.980 -8.735 -1.456 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -7.170 -7.653 -2.060 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -9.960 -6.726 1.023 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -5.324 -6.984 -0.593 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -8.110 -6.050 2.490 1.00 0.00 H new ATOM 0 HH TYR A 81 -4.825 -5.771 1.317 1.00 0.00 H new ATOM 1297 N ALA A 82 -11.635 -7.882 -4.242 1.00 0.00 N ATOM 1298 CA ALA A 82 -12.460 -8.709 -5.122 1.00 0.00 C ATOM 1299 C ALA A 82 -11.797 -8.889 -6.489 1.00 0.00 C ATOM 1300 O ALA A 82 -11.858 -9.968 -7.079 1.00 0.00 O ATOM 1301 CB ALA A 82 -13.846 -8.097 -5.278 1.00 0.00 C ATOM 0 H ALA A 82 -12.091 -7.031 -3.914 1.00 0.00 H new ATOM 0 HA ALA A 82 -12.561 -9.693 -4.665 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -14.448 -8.724 -5.936 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -14.326 -8.029 -4.302 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -13.757 -7.100 -5.709 1.00 0.00 H new ATOM 1307 N MET A 83 -11.158 -7.825 -6.983 1.00 0.00 N ATOM 1308 CA MET A 83 -10.476 -7.865 -8.278 1.00 0.00 C ATOM 1309 C MET A 83 -8.999 -8.247 -8.129 1.00 0.00 C ATOM 1310 O MET A 83 -8.397 -8.785 -9.060 1.00 0.00 O ATOM 1311 CB MET A 83 -10.594 -6.510 -8.985 1.00 0.00 C ATOM 1312 CG MET A 83 -12.025 -6.109 -9.307 1.00 0.00 C ATOM 1313 SD MET A 83 -12.833 -7.257 -10.440 1.00 0.00 S ATOM 1314 CE MET A 83 -12.031 -6.832 -11.984 1.00 0.00 C ATOM 0 H MET A 83 -11.099 -6.926 -6.505 1.00 0.00 H new ATOM 0 HA MET A 83 -10.963 -8.632 -8.881 1.00 0.00 H new ATOM 0 HB2 MET A 83 -10.144 -5.742 -8.356 1.00 0.00 H new ATOM 0 HB3 MET A 83 -10.018 -6.542 -9.910 1.00 0.00 H new ATOM 0 HG2 MET A 83 -12.599 -6.054 -8.382 1.00 0.00 H new ATOM 0 HG3 MET A 83 -12.028 -5.111 -9.745 1.00 0.00 H new ATOM 0 HE1 MET A 83 -12.533 -7.341 -12.807 1.00 0.00 H new ATOM 0 HE2 MET A 83 -12.084 -5.754 -12.137 1.00 0.00 H new ATOM 0 HE3 MET A 83 -10.987 -7.142 -11.949 1.00 0.00 H new ATOM 1324 N ASN A 84 -8.419 -7.960 -6.960 1.00 0.00 N ATOM 1325 CA ASN A 84 -7.012 -8.267 -6.698 1.00 0.00 C ATOM 1326 C ASN A 84 -6.776 -9.779 -6.574 1.00 0.00 C ATOM 1327 O ASN A 84 -5.700 -10.272 -6.919 1.00 0.00 O ATOM 1328 CB ASN A 84 -6.545 -7.528 -5.427 1.00 0.00 C ATOM 1329 CG ASN A 84 -5.940 -8.444 -4.374 1.00 0.00 C ATOM 1330 OD1 ASN A 84 -4.735 -8.423 -4.135 1.00 0.00 O ATOM 1331 ND2 ASN A 84 -6.776 -9.251 -3.734 1.00 0.00 N ATOM 0 H ASN A 84 -8.903 -7.515 -6.180 1.00 0.00 H new ATOM 0 HA ASN A 84 -6.422 -7.921 -7.547 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -5.809 -6.774 -5.706 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.394 -7.000 -4.992 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -6.424 -9.883 -3.015 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -7.770 -9.239 -3.961 1.00 0.00 H new ATOM 1338 N SER A 85 -7.777 -10.507 -6.073 1.00 0.00 N ATOM 1339 CA SER A 85 -7.665 -11.957 -5.899 1.00 0.00 C ATOM 1340 C SER A 85 -7.845 -12.683 -7.234 1.00 0.00 C ATOM 1341 O SER A 85 -8.930 -13.182 -7.537 1.00 0.00 O ATOM 1342 CB SER A 85 -8.699 -12.459 -4.883 1.00 0.00 C ATOM 1343 OG SER A 85 -8.715 -11.647 -3.719 1.00 0.00 O ATOM 0 H SER A 85 -8.673 -10.117 -5.781 1.00 0.00 H new ATOM 0 HA SER A 85 -6.666 -12.174 -5.521 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.689 -12.463 -5.340 1.00 0.00 H new ATOM 0 HB3 SER A 85 -8.471 -13.489 -4.608 1.00 0.00 H new ATOM 0 HG SER A 85 -9.127 -10.783 -3.929 1.00 0.00 H new ATOM 1349 N THR A 86 -6.774 -12.734 -8.034 1.00 0.00 N ATOM 1350 CA THR A 86 -6.822 -13.395 -9.338 1.00 0.00 C ATOM 1351 C THR A 86 -5.638 -14.350 -9.536 1.00 0.00 C ATOM 1352 O THR A 86 -5.829 -15.498 -9.942 1.00 0.00 O ATOM 1353 CB THR A 86 -6.878 -12.355 -10.471 1.00 0.00 C ATOM 1354 OG1 THR A 86 -6.735 -12.978 -11.737 1.00 0.00 O ATOM 1355 CG2 THR A 86 -5.822 -11.273 -10.373 1.00 0.00 C ATOM 0 H THR A 86 -5.868 -12.327 -7.801 1.00 0.00 H new ATOM 0 HA THR A 86 -7.732 -13.994 -9.369 1.00 0.00 H new ATOM 0 HB THR A 86 -7.856 -11.885 -10.363 1.00 0.00 H new ATOM 0 HG1 THR A 86 -6.626 -12.292 -12.429 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.931 -10.582 -11.209 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.943 -10.731 -9.435 1.00 0.00 H new ATOM 0 HG23 THR A 86 -4.832 -11.727 -10.405 1.00 0.00 H new ATOM 1363 N ALA A 87 -4.419 -13.883 -9.250 1.00 0.00 N ATOM 1364 CA ALA A 87 -3.225 -14.715 -9.406 1.00 0.00 C ATOM 1365 C ALA A 87 -2.106 -14.306 -8.441 1.00 0.00 C ATOM 1366 O ALA A 87 -1.924 -14.928 -7.394 1.00 0.00 O ATOM 1367 CB ALA A 87 -2.739 -14.670 -10.850 1.00 0.00 C ATOM 0 H ALA A 87 -4.235 -12.939 -8.911 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.501 -15.739 -9.156 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.850 -15.292 -10.954 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.523 -15.043 -11.509 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.496 -13.642 -11.120 1.00 0.00 H new ATOM 1373 N ASN A 88 -1.356 -13.266 -8.810 1.00 0.00 N ATOM 1374 CA ASN A 88 -0.242 -12.771 -7.992 1.00 0.00 C ATOM 1375 C ASN A 88 -0.738 -12.090 -6.708 1.00 0.00 C ATOM 1376 O ASN A 88 -1.943 -11.931 -6.501 1.00 0.00 O ATOM 1377 CB ASN A 88 0.609 -11.791 -8.813 1.00 0.00 C ATOM 1378 CG ASN A 88 2.050 -11.718 -8.336 1.00 0.00 C ATOM 1379 OD1 ASN A 88 2.490 -10.694 -7.817 1.00 0.00 O ATOM 1380 ND2 ASN A 88 2.792 -12.808 -8.501 1.00 0.00 N ATOM 0 H ASN A 88 -1.500 -12.746 -9.676 1.00 0.00 H new ATOM 0 HA ASN A 88 0.365 -13.627 -7.698 1.00 0.00 H new ATOM 0 HB2 ASN A 88 0.593 -12.093 -9.860 1.00 0.00 H new ATOM 0 HB3 ASN A 88 0.163 -10.798 -8.760 1.00 0.00 H new ATOM 0 HD21 ASN A 88 3.764 -12.815 -8.192 1.00 0.00 H new ATOM 0 HD22 ASN A 88 2.389 -13.638 -8.936 1.00 0.00 H new ATOM 1387 N TYR A 89 0.202 -11.688 -5.848 1.00 0.00 N ATOM 1388 CA TYR A 89 -0.143 -11.020 -4.595 1.00 0.00 C ATOM 1389 C TYR A 89 0.864 -9.910 -4.262 1.00 0.00 C ATOM 1390 O TYR A 89 1.403 -9.849 -3.154 1.00 0.00 O ATOM 1391 CB TYR A 89 -0.234 -12.044 -3.450 1.00 0.00 C ATOM 1392 CG TYR A 89 -1.648 -12.288 -2.960 1.00 0.00 C ATOM 1393 CD1 TYR A 89 -2.593 -11.264 -2.943 1.00 0.00 C ATOM 1394 CD2 TYR A 89 -2.040 -13.545 -2.517 1.00 0.00 C ATOM 1395 CE1 TYR A 89 -3.880 -11.489 -2.496 1.00 0.00 C ATOM 1396 CE2 TYR A 89 -3.328 -13.775 -2.071 1.00 0.00 C ATOM 1397 CZ TYR A 89 -4.243 -12.745 -2.063 1.00 0.00 C ATOM 1398 OH TYR A 89 -5.525 -12.972 -1.619 1.00 0.00 O ATOM 0 H TYR A 89 1.203 -11.814 -5.998 1.00 0.00 H new ATOM 0 HA TYR A 89 -1.120 -10.551 -4.716 1.00 0.00 H new ATOM 0 HB2 TYR A 89 0.193 -12.989 -3.785 1.00 0.00 H new ATOM 0 HB3 TYR A 89 0.375 -11.697 -2.615 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -2.314 -10.278 -3.285 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -1.327 -14.356 -2.521 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -4.599 -10.683 -2.486 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -3.616 -14.758 -1.730 1.00 0.00 H new ATOM 0 HH TYR A 89 -5.502 -13.581 -0.852 1.00 0.00 H new ATOM 1408 N ASP A 90 1.097 -9.024 -5.233 1.00 0.00 N ATOM 1409 CA ASP A 90 2.017 -7.902 -5.059 1.00 0.00 C ATOM 1410 C ASP A 90 1.273 -6.589 -5.274 1.00 0.00 C ATOM 1411 O ASP A 90 1.191 -6.079 -6.393 1.00 0.00 O ATOM 1412 CB ASP A 90 3.191 -8.032 -6.034 1.00 0.00 C ATOM 1413 CG ASP A 90 4.434 -7.298 -5.572 1.00 0.00 C ATOM 1414 OD1 ASP A 90 4.809 -7.445 -4.390 1.00 0.00 O ATOM 1415 OD2 ASP A 90 5.037 -6.580 -6.397 1.00 0.00 O ATOM 0 H ASP A 90 0.657 -9.064 -6.153 1.00 0.00 H new ATOM 0 HA ASP A 90 2.414 -7.912 -4.044 1.00 0.00 H new ATOM 0 HB2 ASP A 90 3.429 -9.087 -6.168 1.00 0.00 H new ATOM 0 HB3 ASP A 90 2.890 -7.647 -7.008 1.00 0.00 H new ATOM 1420 N PHE A 91 0.701 -6.066 -4.194 1.00 0.00 N ATOM 1421 CA PHE A 91 -0.077 -4.836 -4.262 1.00 0.00 C ATOM 1422 C PHE A 91 0.689 -3.611 -3.771 1.00 0.00 C ATOM 1423 O PHE A 91 1.668 -3.715 -3.033 1.00 0.00 O ATOM 1424 CB PHE A 91 -1.403 -5.038 -3.521 1.00 0.00 C ATOM 1425 CG PHE A 91 -1.430 -4.618 -2.085 1.00 0.00 C ATOM 1426 CD1 PHE A 91 -0.911 -5.447 -1.109 1.00 0.00 C ATOM 1427 CD2 PHE A 91 -2.016 -3.423 -1.709 1.00 0.00 C ATOM 1428 CE1 PHE A 91 -0.974 -5.096 0.220 1.00 0.00 C ATOM 1429 CE2 PHE A 91 -2.076 -3.058 -0.379 1.00 0.00 C ATOM 1430 CZ PHE A 91 -1.556 -3.898 0.589 1.00 0.00 C ATOM 0 H PHE A 91 0.762 -6.475 -3.262 1.00 0.00 H new ATOM 0 HA PHE A 91 -0.287 -4.623 -5.310 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -2.180 -4.488 -4.053 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -1.667 -6.094 -3.574 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -0.450 -6.382 -1.393 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -2.430 -2.770 -2.463 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -0.569 -5.756 0.973 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -2.528 -2.119 -0.095 1.00 0.00 H new ATOM 0 HZ PHE A 91 -1.605 -3.618 1.631 1.00 0.00 H new ATOM 1440 N VAL A 92 0.234 -2.446 -4.224 1.00 0.00 N ATOM 1441 CA VAL A 92 0.861 -1.177 -3.876 1.00 0.00 C ATOM 1442 C VAL A 92 -0.085 -0.285 -3.078 1.00 0.00 C ATOM 1443 O VAL A 92 -1.249 -0.106 -3.440 1.00 0.00 O ATOM 1444 CB VAL A 92 1.325 -0.413 -5.136 1.00 0.00 C ATOM 1445 CG1 VAL A 92 2.069 0.859 -4.754 1.00 0.00 C ATOM 1446 CG2 VAL A 92 2.194 -1.298 -6.021 1.00 0.00 C ATOM 0 H VAL A 92 -0.575 -2.356 -4.839 1.00 0.00 H new ATOM 0 HA VAL A 92 1.728 -1.418 -3.262 1.00 0.00 H new ATOM 0 HB VAL A 92 0.438 -0.133 -5.704 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.386 1.380 -5.657 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.410 1.506 -4.174 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.944 0.603 -4.157 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.507 -0.737 -6.901 1.00 0.00 H new ATOM 0 HG22 VAL A 92 3.074 -1.619 -5.463 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.623 -2.173 -6.333 1.00 0.00 H new ATOM 1456 N LEU A 93 0.442 0.281 -1.999 1.00 0.00 N ATOM 1457 CA LEU A 93 -0.316 1.176 -1.139 1.00 0.00 C ATOM 1458 C LEU A 93 0.129 2.618 -1.386 1.00 0.00 C ATOM 1459 O LEU A 93 0.890 3.194 -0.608 1.00 0.00 O ATOM 1460 CB LEU A 93 -0.113 0.783 0.331 1.00 0.00 C ATOM 1461 CG LEU A 93 -0.668 1.772 1.357 1.00 0.00 C ATOM 1462 CD1 LEU A 93 -2.185 1.679 1.428 1.00 0.00 C ATOM 1463 CD2 LEU A 93 -0.054 1.522 2.725 1.00 0.00 C ATOM 0 H LEU A 93 1.405 0.132 -1.698 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.378 1.095 -1.369 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.580 -0.188 0.498 1.00 0.00 H new ATOM 0 HB3 LEU A 93 0.955 0.659 0.512 1.00 0.00 H new ATOM 0 HG LEU A 93 -0.402 2.780 1.038 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -2.559 2.391 2.164 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.610 1.910 0.451 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -2.474 0.670 1.720 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.461 2.235 3.442 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.288 0.508 3.049 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.028 1.644 2.666 1.00 0.00 H new ATOM 1475 N LYS A 94 -0.342 3.188 -2.490 1.00 0.00 N ATOM 1476 CA LYS A 94 0.011 4.556 -2.855 1.00 0.00 C ATOM 1477 C LYS A 94 -0.937 5.551 -2.196 1.00 0.00 C ATOM 1478 O LYS A 94 -2.143 5.498 -2.413 1.00 0.00 O ATOM 1479 CB LYS A 94 -0.024 4.727 -4.377 1.00 0.00 C ATOM 1480 CG LYS A 94 1.293 4.386 -5.058 1.00 0.00 C ATOM 1481 CD LYS A 94 1.146 4.347 -6.572 1.00 0.00 C ATOM 1482 CE LYS A 94 1.184 5.745 -7.176 1.00 0.00 C ATOM 1483 NZ LYS A 94 2.567 6.153 -7.551 1.00 0.00 N ATOM 0 H LYS A 94 -0.969 2.724 -3.148 1.00 0.00 H new ATOM 0 HA LYS A 94 1.023 4.753 -2.500 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -0.810 4.094 -4.788 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.289 5.758 -4.613 1.00 0.00 H new ATOM 0 HG2 LYS A 94 2.047 5.124 -4.784 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.648 3.419 -4.701 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.946 3.743 -7.000 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.206 3.862 -6.834 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.545 5.776 -8.058 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.776 6.460 -6.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 2.540 7.081 -8.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 3.155 6.214 -6.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.973 5.449 -8.200 1.00 0.00 H new ATOM 1497 N LYS A 95 -0.380 6.453 -1.390 1.00 0.00 N ATOM 1498 CA LYS A 95 -1.173 7.467 -0.688 1.00 0.00 C ATOM 1499 C LYS A 95 -2.167 8.156 -1.625 1.00 0.00 C ATOM 1500 O LYS A 95 -1.966 8.205 -2.841 1.00 0.00 O ATOM 1501 CB LYS A 95 -0.253 8.516 -0.065 1.00 0.00 C ATOM 1502 CG LYS A 95 -0.405 8.670 1.439 1.00 0.00 C ATOM 1503 CD LYS A 95 0.950 8.812 2.116 1.00 0.00 C ATOM 1504 CE LYS A 95 0.914 9.849 3.226 1.00 0.00 C ATOM 1505 NZ LYS A 95 2.073 9.717 4.157 1.00 0.00 N ATOM 0 H LYS A 95 0.622 6.504 -1.205 1.00 0.00 H new ATOM 0 HA LYS A 95 -1.737 6.958 0.094 1.00 0.00 H new ATOM 0 HB2 LYS A 95 0.781 8.253 -0.288 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -0.447 9.479 -0.538 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -1.017 9.545 1.658 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -0.929 7.805 1.845 1.00 0.00 H new ATOM 0 HD2 LYS A 95 1.255 7.849 2.526 1.00 0.00 H new ATOM 0 HD3 LYS A 95 1.699 9.095 1.377 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.913 10.847 2.789 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -0.015 9.746 3.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 2.441 10.662 4.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 1.765 9.241 5.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 2.821 9.156 3.702 1.00 0.00 H new ATOM 1519 N ARG A 96 -3.232 8.702 -1.044 1.00 0.00 N ATOM 1520 CA ARG A 96 -4.257 9.402 -1.812 1.00 0.00 C ATOM 1521 C ARG A 96 -3.821 10.843 -2.096 1.00 0.00 C ATOM 1522 O ARG A 96 -4.492 11.801 -1.701 1.00 0.00 O ATOM 1523 CB ARG A 96 -5.585 9.378 -1.049 1.00 0.00 C ATOM 1524 CG ARG A 96 -6.795 9.706 -1.910 1.00 0.00 C ATOM 1525 CD ARG A 96 -7.701 10.721 -1.230 1.00 0.00 C ATOM 1526 NE ARG A 96 -8.495 10.116 -0.157 1.00 0.00 N ATOM 1527 CZ ARG A 96 -8.212 10.219 1.146 1.00 0.00 C ATOM 1528 NH1 ARG A 96 -7.166 10.922 1.561 1.00 0.00 N ATOM 1529 NH2 ARG A 96 -8.985 9.614 2.036 1.00 0.00 N ATOM 0 H ARG A 96 -3.408 8.673 -0.040 1.00 0.00 H new ATOM 0 HA ARG A 96 -4.393 8.895 -2.767 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -5.722 8.391 -0.608 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -5.533 10.090 -0.226 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -6.464 10.098 -2.871 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -7.356 8.794 -2.114 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -7.096 11.530 -0.821 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -8.368 11.164 -1.969 1.00 0.00 H new ATOM 0 HE ARG A 96 -9.321 9.579 -0.422 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -6.566 11.392 0.883 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -6.962 10.992 2.558 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -9.792 9.072 1.726 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -8.773 9.690 3.031 1.00 0.00 H new ATOM 1543 N THR A 97 -2.685 10.984 -2.781 1.00 0.00 N ATOM 1544 CA THR A 97 -2.137 12.296 -3.120 1.00 0.00 C ATOM 1545 C THR A 97 -1.643 12.326 -4.565 1.00 0.00 C ATOM 1546 O THR A 97 -1.016 11.334 -5.002 1.00 0.00 O ATOM 1547 CB THR A 97 -0.990 12.658 -2.169 1.00 0.00 C ATOM 1548 OG1 THR A 97 -1.249 12.190 -0.856 1.00 0.00 O ATOM 1549 CG2 THR A 97 -0.731 14.146 -2.079 1.00 0.00 C ATOM 1550 OXT THR A 97 -1.884 13.341 -5.250 1.00 0.00 O ATOM 0 H THR A 97 -2.124 10.199 -3.113 1.00 0.00 H new ATOM 0 HA THR A 97 -2.935 13.031 -3.012 1.00 0.00 H new ATOM 0 HB THR A 97 -0.110 12.174 -2.592 1.00 0.00 H new ATOM 0 HG1 THR A 97 -0.429 11.809 -0.477 1.00 0.00 H new ATOM 0 HG21 THR A 97 0.093 14.331 -1.389 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.472 14.530 -3.065 1.00 0.00 H new ATOM 0 HG23 THR A 97 -1.627 14.650 -1.717 1.00 0.00 H new TER 1558 THR A 97