USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 708 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 72 THR OG1 : rot -170:sc= 0.0413 USER MOD Set 1.2: A 74 ASN : amide:sc= -0.0029 X(o=0.038,f=0.034) USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.0966 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -158:sc= 3.04 (180deg=1.59) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -163:sc= -0.0456 (180deg=-0.429) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.496 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN :FLIP amide:sc= -4.03! C(o=-5.1!,f=-4!) USER MOD Single : A 55 GLN : amide:sc= 1.13 K(o=1.1,f=-0.12) USER MOD Single : A 57 ASN : amide:sc= -0.112 X(o=-0.11,f=-0.19) USER MOD Single : A 59 GLN : amide:sc= -0.359 K(o=-0.36,f=-0.91) USER MOD Single : A 67 SER OG : rot 42:sc= 0.253 USER MOD Single : A 73 GLN :FLIP amide:sc= 0.0123 F(o=-1.5,f=0.012) USER MOD Single : A 78 THR OG1 : rot 92:sc= 1.28 USER MOD Single : A 82 ASN : amide:sc= 1.01 K(o=1,f=0) USER MOD Single : A 83 THR OG1 : rot 70:sc= -1.12 USER MOD Single : A 84 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0158) USER MOD Single : A 86 ASN : amide:sc= 0.112 X(o=0.11,f=-0.016) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.919 -15.879 -4.560 1.00 0.00 N ATOM 2 CA GLY A 1 11.544 -14.634 -4.134 1.00 0.00 C ATOM 3 C GLY A 1 11.660 -14.588 -2.636 1.00 0.00 C ATOM 4 O GLY A 1 10.914 -15.274 -1.939 1.00 0.00 O ATOM 0 H1 GLY A 1 11.617 -16.463 -5.063 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.571 -16.396 -3.727 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.122 -15.668 -5.194 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.533 -14.544 -4.584 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.956 -13.786 -4.485 1.00 0.00 H new ATOM 10 N HIS A 2 12.568 -13.768 -2.120 1.00 0.00 N ATOM 11 CA HIS A 2 12.767 -13.656 -0.670 1.00 0.00 C ATOM 12 C HIS A 2 11.888 -12.509 -0.148 1.00 0.00 C ATOM 13 O HIS A 2 11.991 -12.055 0.987 1.00 0.00 O ATOM 14 CB HIS A 2 14.262 -13.435 -0.344 1.00 0.00 C ATOM 15 CG HIS A 2 14.640 -13.688 1.101 1.00 0.00 C ATOM 16 ND1 HIS A 2 15.084 -12.718 1.972 1.00 0.00 N ATOM 17 CD2 HIS A 2 14.665 -14.851 1.802 1.00 0.00 C ATOM 18 CE1 HIS A 2 15.361 -13.299 3.139 1.00 0.00 C ATOM 19 NE2 HIS A 2 15.125 -14.597 3.096 1.00 0.00 N ATOM 0 H HIS A 2 13.179 -13.171 -2.677 1.00 0.00 H new ATOM 0 HA HIS A 2 12.472 -14.580 -0.173 1.00 0.00 H new ATOM 0 HB2 HIS A 2 14.859 -14.088 -0.981 1.00 0.00 H new ATOM 0 HB3 HIS A 2 14.528 -12.410 -0.600 1.00 0.00 H new ATOM 0 HD2 HIS A 2 14.375 -15.819 1.420 1.00 0.00 H new ATOM 0 HE1 HIS A 2 15.731 -12.775 4.008 1.00 0.00 H new ATOM 0 HE2 HIS A 2 15.252 -15.273 3.850 1.00 0.00 H new ATOM 27 N MET A 3 11.048 -12.059 -1.024 1.00 0.00 N ATOM 28 CA MET A 3 10.041 -11.084 -0.767 1.00 0.00 C ATOM 29 C MET A 3 8.954 -11.378 -1.756 1.00 0.00 C ATOM 30 O MET A 3 9.207 -11.407 -2.956 1.00 0.00 O ATOM 31 CB MET A 3 10.570 -9.653 -0.961 1.00 0.00 C ATOM 32 CG MET A 3 9.558 -8.574 -0.589 1.00 0.00 C ATOM 33 SD MET A 3 10.190 -6.893 -0.804 1.00 0.00 S ATOM 34 CE MET A 3 8.831 -5.937 -0.117 1.00 0.00 C ATOM 0 H MET A 3 11.048 -12.381 -1.992 1.00 0.00 H new ATOM 0 HA MET A 3 9.694 -11.137 0.265 1.00 0.00 H new ATOM 0 HB2 MET A 3 11.468 -9.521 -0.357 1.00 0.00 H new ATOM 0 HB3 MET A 3 10.864 -9.521 -2.002 1.00 0.00 H new ATOM 0 HG2 MET A 3 8.664 -8.699 -1.199 1.00 0.00 H new ATOM 0 HG3 MET A 3 9.257 -8.711 0.450 1.00 0.00 H new ATOM 0 HE1 MET A 3 9.067 -4.875 -0.176 1.00 0.00 H new ATOM 0 HE2 MET A 3 7.922 -6.139 -0.683 1.00 0.00 H new ATOM 0 HE3 MET A 3 8.679 -6.218 0.925 1.00 0.00 H new ATOM 44 N GLU A 4 7.794 -11.666 -1.274 1.00 0.00 N ATOM 45 CA GLU A 4 6.694 -11.998 -2.129 1.00 0.00 C ATOM 46 C GLU A 4 5.978 -10.752 -2.520 1.00 0.00 C ATOM 47 O GLU A 4 5.307 -10.168 -1.699 1.00 0.00 O ATOM 48 CB GLU A 4 5.716 -12.938 -1.423 1.00 0.00 C ATOM 49 CG GLU A 4 4.499 -13.305 -2.271 1.00 0.00 C ATOM 50 CD GLU A 4 3.507 -14.193 -1.565 1.00 0.00 C ATOM 51 OE1 GLU A 4 2.999 -13.827 -0.489 1.00 0.00 O ATOM 52 OE2 GLU A 4 3.205 -15.286 -2.089 1.00 0.00 O ATOM 0 H GLU A 4 7.576 -11.680 -0.278 1.00 0.00 H new ATOM 0 HA GLU A 4 7.085 -12.502 -3.013 1.00 0.00 H new ATOM 0 HB2 GLU A 4 6.241 -13.851 -1.142 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.377 -12.469 -0.500 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.995 -12.389 -2.581 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.838 -13.805 -3.178 1.00 0.00 H new ATOM 59 N LEU A 5 6.173 -10.308 -3.730 1.00 0.00 N ATOM 60 CA LEU A 5 5.433 -9.187 -4.228 1.00 0.00 C ATOM 61 C LEU A 5 4.154 -9.727 -4.807 1.00 0.00 C ATOM 62 O LEU A 5 4.174 -10.534 -5.760 1.00 0.00 O ATOM 63 CB LEU A 5 6.223 -8.377 -5.276 1.00 0.00 C ATOM 64 CG LEU A 5 7.606 -7.840 -4.851 1.00 0.00 C ATOM 65 CD1 LEU A 5 7.563 -7.220 -3.482 1.00 0.00 C ATOM 66 CD2 LEU A 5 8.701 -8.889 -4.953 1.00 0.00 C ATOM 0 H LEU A 5 6.840 -10.708 -4.390 1.00 0.00 H new ATOM 0 HA LEU A 5 5.231 -8.489 -3.416 1.00 0.00 H new ATOM 0 HB2 LEU A 5 6.360 -9.005 -6.156 1.00 0.00 H new ATOM 0 HB3 LEU A 5 5.610 -7.529 -5.581 1.00 0.00 H new ATOM 0 HG LEU A 5 7.862 -7.056 -5.563 1.00 0.00 H new ATOM 0 HD11 LEU A 5 8.555 -6.853 -3.217 1.00 0.00 H new ATOM 0 HD12 LEU A 5 6.857 -6.390 -3.481 1.00 0.00 H new ATOM 0 HD13 LEU A 5 7.246 -7.967 -2.754 1.00 0.00 H new ATOM 0 HD21 LEU A 5 9.651 -8.455 -4.642 1.00 0.00 H new ATOM 0 HD22 LEU A 5 8.458 -9.732 -4.307 1.00 0.00 H new ATOM 0 HD23 LEU A 5 8.780 -9.233 -5.984 1.00 0.00 H new ATOM 78 N PHE A 6 3.060 -9.350 -4.225 1.00 0.00 N ATOM 79 CA PHE A 6 1.805 -9.900 -4.585 1.00 0.00 C ATOM 80 C PHE A 6 0.732 -8.848 -4.811 1.00 0.00 C ATOM 81 O PHE A 6 0.616 -7.873 -4.077 1.00 0.00 O ATOM 82 CB PHE A 6 1.337 -10.936 -3.556 1.00 0.00 C ATOM 83 CG PHE A 6 1.224 -10.465 -2.136 1.00 0.00 C ATOM 84 CD1 PHE A 6 2.309 -10.471 -1.297 1.00 0.00 C ATOM 85 CD2 PHE A 6 0.016 -10.028 -1.650 1.00 0.00 C ATOM 86 CE1 PHE A 6 2.199 -10.052 0.006 1.00 0.00 C ATOM 87 CE2 PHE A 6 -0.111 -9.601 -0.342 1.00 0.00 C ATOM 88 CZ PHE A 6 0.986 -9.612 0.489 1.00 0.00 C ATOM 0 H PHE A 6 3.019 -8.649 -3.485 1.00 0.00 H new ATOM 0 HA PHE A 6 1.960 -10.399 -5.542 1.00 0.00 H new ATOM 0 HB2 PHE A 6 0.363 -11.312 -3.869 1.00 0.00 H new ATOM 0 HB3 PHE A 6 2.028 -11.779 -3.582 1.00 0.00 H new ATOM 0 HD1 PHE A 6 3.265 -10.811 -1.667 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -0.847 -10.018 -2.299 1.00 0.00 H new ATOM 0 HE1 PHE A 6 3.064 -10.067 0.653 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -1.067 -9.260 0.027 1.00 0.00 H new ATOM 0 HZ PHE A 6 0.897 -9.278 1.512 1.00 0.00 H new ATOM 98 N PRO A 7 -0.039 -9.033 -5.853 1.00 0.00 N ATOM 99 CA PRO A 7 -1.166 -8.178 -6.161 1.00 0.00 C ATOM 100 C PRO A 7 -2.411 -8.559 -5.366 1.00 0.00 C ATOM 101 O PRO A 7 -2.812 -9.729 -5.311 1.00 0.00 O ATOM 102 CB PRO A 7 -1.407 -8.464 -7.622 1.00 0.00 C ATOM 103 CG PRO A 7 -0.986 -9.892 -7.786 1.00 0.00 C ATOM 104 CD PRO A 7 0.153 -10.088 -6.857 1.00 0.00 C ATOM 0 HA PRO A 7 -0.966 -7.133 -5.923 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -2.454 -8.324 -7.889 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -0.824 -7.800 -8.260 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -1.805 -10.571 -7.549 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -0.691 -10.097 -8.815 1.00 0.00 H new ATOM 0 HD2 PRO A 7 0.137 -11.080 -6.405 1.00 0.00 H new ATOM 0 HD3 PRO A 7 1.110 -9.986 -7.368 1.00 0.00 H new ATOM 112 N VAL A 8 -2.986 -7.609 -4.732 1.00 0.00 N ATOM 113 CA VAL A 8 -4.218 -7.810 -4.038 1.00 0.00 C ATOM 114 C VAL A 8 -5.237 -6.905 -4.655 1.00 0.00 C ATOM 115 O VAL A 8 -5.101 -5.696 -4.571 1.00 0.00 O ATOM 116 CB VAL A 8 -4.113 -7.450 -2.534 1.00 0.00 C ATOM 117 CG1 VAL A 8 -5.390 -7.793 -1.782 1.00 0.00 C ATOM 118 CG2 VAL A 8 -2.915 -8.093 -1.895 1.00 0.00 C ATOM 0 H VAL A 8 -2.619 -6.659 -4.674 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.486 -8.864 -4.116 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.979 -6.370 -2.472 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.276 -7.526 -0.731 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -6.225 -7.237 -2.210 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.585 -8.862 -1.865 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.874 -7.818 -0.841 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.992 -9.177 -1.985 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.009 -7.751 -2.395 1.00 0.00 H new ATOM 128 N GLU A 9 -6.212 -7.452 -5.299 1.00 0.00 N ATOM 129 CA GLU A 9 -7.245 -6.632 -5.845 1.00 0.00 C ATOM 130 C GLU A 9 -8.382 -6.617 -4.850 1.00 0.00 C ATOM 131 O GLU A 9 -9.095 -7.614 -4.677 1.00 0.00 O ATOM 132 CB GLU A 9 -7.692 -7.100 -7.230 1.00 0.00 C ATOM 133 CG GLU A 9 -8.701 -6.165 -7.892 1.00 0.00 C ATOM 134 CD GLU A 9 -9.118 -6.621 -9.263 1.00 0.00 C ATOM 135 OE1 GLU A 9 -9.726 -7.699 -9.385 1.00 0.00 O ATOM 136 OE2 GLU A 9 -8.878 -5.888 -10.245 1.00 0.00 O ATOM 0 H GLU A 9 -6.318 -8.454 -5.461 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.872 -5.620 -6.002 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -6.817 -7.192 -7.874 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.131 -8.094 -7.145 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.584 -6.086 -7.258 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.269 -5.167 -7.964 1.00 0.00 H new ATOM 143 N LEU A 10 -8.508 -5.518 -4.165 1.00 0.00 N ATOM 144 CA LEU A 10 -9.464 -5.381 -3.114 1.00 0.00 C ATOM 145 C LEU A 10 -10.711 -4.791 -3.720 1.00 0.00 C ATOM 146 O LEU A 10 -10.622 -3.987 -4.635 1.00 0.00 O ATOM 147 CB LEU A 10 -8.893 -4.400 -2.079 1.00 0.00 C ATOM 148 CG LEU A 10 -9.160 -4.651 -0.580 1.00 0.00 C ATOM 149 CD1 LEU A 10 -10.635 -4.815 -0.256 1.00 0.00 C ATOM 150 CD2 LEU A 10 -8.345 -5.826 -0.082 1.00 0.00 C ATOM 0 H LEU A 10 -7.942 -4.685 -4.325 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.683 -6.337 -2.638 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.813 -4.367 -2.219 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.277 -3.408 -2.320 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.838 -3.756 -0.048 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -10.756 -4.989 0.813 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -11.173 -3.910 -0.540 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -11.037 -5.664 -0.809 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.547 -5.987 0.977 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.616 -6.720 -0.643 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.284 -5.618 -0.221 1.00 0.00 H new ATOM 162 N GLU A 11 -11.841 -5.212 -3.258 1.00 0.00 N ATOM 163 CA GLU A 11 -13.085 -4.641 -3.671 1.00 0.00 C ATOM 164 C GLU A 11 -13.630 -3.827 -2.493 1.00 0.00 C ATOM 165 O GLU A 11 -14.277 -4.371 -1.582 1.00 0.00 O ATOM 166 CB GLU A 11 -14.070 -5.743 -4.069 1.00 0.00 C ATOM 167 CG GLU A 11 -15.422 -5.243 -4.538 1.00 0.00 C ATOM 168 CD GLU A 11 -15.441 -4.695 -5.925 1.00 0.00 C ATOM 169 OE1 GLU A 11 -15.412 -5.489 -6.891 1.00 0.00 O ATOM 170 OE2 GLU A 11 -15.533 -3.466 -6.078 1.00 0.00 O ATOM 0 H GLU A 11 -11.931 -5.967 -2.578 1.00 0.00 H new ATOM 0 HA GLU A 11 -12.944 -4.000 -4.541 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -13.623 -6.342 -4.863 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -14.218 -6.405 -3.216 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -16.138 -6.063 -4.477 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -15.765 -4.469 -3.852 1.00 0.00 H new ATOM 177 N LYS A 12 -13.277 -2.572 -2.459 1.00 0.00 N ATOM 178 CA LYS A 12 -13.695 -1.668 -1.429 1.00 0.00 C ATOM 179 C LYS A 12 -15.031 -0.996 -1.702 1.00 0.00 C ATOM 180 O LYS A 12 -15.734 -1.298 -2.671 1.00 0.00 O ATOM 181 CB LYS A 12 -12.620 -0.610 -1.145 1.00 0.00 C ATOM 182 CG LYS A 12 -11.612 -0.999 -0.075 1.00 0.00 C ATOM 183 CD LYS A 12 -12.314 -1.325 1.252 1.00 0.00 C ATOM 184 CE LYS A 12 -11.924 -0.417 2.435 1.00 0.00 C ATOM 185 NZ LYS A 12 -12.360 0.993 2.252 1.00 0.00 N ATOM 0 H LYS A 12 -12.677 -2.142 -3.163 1.00 0.00 H new ATOM 0 HA LYS A 12 -13.836 -2.289 -0.544 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.084 -0.399 -2.070 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -13.111 0.315 -0.843 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.038 -1.863 -0.409 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.903 -0.184 0.075 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -13.392 -1.258 1.102 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -12.093 -2.359 1.518 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -12.365 -0.812 3.350 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -10.842 -0.443 2.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -11.780 1.616 2.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -12.246 1.265 1.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -13.360 1.085 2.524 1.00 0.00 H new ATOM 199 N ASP A 13 -15.357 -0.107 -0.806 1.00 0.00 N ATOM 200 CA ASP A 13 -16.580 0.670 -0.774 1.00 0.00 C ATOM 201 C ASP A 13 -16.426 1.977 -1.558 1.00 0.00 C ATOM 202 O ASP A 13 -15.403 2.208 -2.213 1.00 0.00 O ATOM 203 CB ASP A 13 -16.917 0.972 0.696 1.00 0.00 C ATOM 204 CG ASP A 13 -15.710 1.510 1.447 1.00 0.00 C ATOM 205 OD1 ASP A 13 -14.938 0.687 2.020 1.00 0.00 O ATOM 206 OD2 ASP A 13 -15.465 2.718 1.424 1.00 0.00 O ATOM 0 H ASP A 13 -14.740 0.114 -0.024 1.00 0.00 H new ATOM 0 HA ASP A 13 -17.384 0.101 -1.241 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -17.728 1.698 0.742 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -17.274 0.064 1.182 1.00 0.00 H new ATOM 211 N GLU A 14 -17.437 2.836 -1.461 1.00 0.00 N ATOM 212 CA GLU A 14 -17.490 4.087 -2.221 1.00 0.00 C ATOM 213 C GLU A 14 -16.684 5.213 -1.577 1.00 0.00 C ATOM 214 O GLU A 14 -16.579 6.304 -2.133 1.00 0.00 O ATOM 215 CB GLU A 14 -18.926 4.539 -2.418 1.00 0.00 C ATOM 216 CG GLU A 14 -19.659 4.850 -1.133 1.00 0.00 C ATOM 217 CD GLU A 14 -21.061 5.305 -1.383 1.00 0.00 C ATOM 218 OE1 GLU A 14 -21.258 6.470 -1.764 1.00 0.00 O ATOM 219 OE2 GLU A 14 -21.995 4.496 -1.207 1.00 0.00 O ATOM 0 H GLU A 14 -18.243 2.687 -0.854 1.00 0.00 H new ATOM 0 HA GLU A 14 -17.035 3.871 -3.188 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -18.932 5.427 -3.051 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -19.470 3.761 -2.954 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -19.673 3.963 -0.500 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -19.119 5.623 -0.586 1.00 0.00 H new ATOM 226 N ASP A 15 -16.168 4.981 -0.397 1.00 0.00 N ATOM 227 CA ASP A 15 -15.309 5.975 0.252 1.00 0.00 C ATOM 228 C ASP A 15 -13.919 5.841 -0.294 1.00 0.00 C ATOM 229 O ASP A 15 -13.177 6.820 -0.447 1.00 0.00 O ATOM 230 CB ASP A 15 -15.295 5.791 1.768 1.00 0.00 C ATOM 231 CG ASP A 15 -14.232 6.629 2.465 1.00 0.00 C ATOM 232 OD1 ASP A 15 -14.471 7.833 2.727 1.00 0.00 O ATOM 233 OD2 ASP A 15 -13.127 6.094 2.754 1.00 0.00 O ATOM 0 H ASP A 15 -16.317 4.127 0.140 1.00 0.00 H new ATOM 0 HA ASP A 15 -15.701 6.970 0.044 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -16.275 6.053 2.168 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -15.127 4.739 1.998 1.00 0.00 H new ATOM 238 N GLY A 16 -13.583 4.635 -0.587 1.00 0.00 N ATOM 239 CA GLY A 16 -12.314 4.338 -1.138 1.00 0.00 C ATOM 240 C GLY A 16 -11.589 3.385 -0.264 1.00 0.00 C ATOM 241 O GLY A 16 -12.004 2.240 -0.108 1.00 0.00 O ATOM 0 H GLY A 16 -14.186 3.824 -0.449 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -12.432 3.912 -2.134 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -11.734 5.254 -1.250 1.00 0.00 H new ATOM 245 N LEU A 17 -10.567 3.843 0.379 1.00 0.00 N ATOM 246 CA LEU A 17 -9.775 2.978 1.198 1.00 0.00 C ATOM 247 C LEU A 17 -9.843 3.423 2.619 1.00 0.00 C ATOM 248 O LEU A 17 -10.335 2.688 3.465 1.00 0.00 O ATOM 249 CB LEU A 17 -8.350 2.962 0.711 1.00 0.00 C ATOM 250 CG LEU A 17 -7.445 1.910 1.245 1.00 0.00 C ATOM 251 CD1 LEU A 17 -8.095 0.531 1.155 1.00 0.00 C ATOM 252 CD2 LEU A 17 -6.191 1.941 0.437 1.00 0.00 C ATOM 0 H LEU A 17 -10.257 4.815 0.355 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.169 1.964 1.133 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.369 2.868 -0.375 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.907 3.932 0.939 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.233 2.101 2.297 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.412 -0.220 1.552 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.018 0.525 1.735 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.320 0.302 0.113 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.503 1.179 0.804 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -6.427 1.744 -0.609 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.726 2.923 0.525 1.00 0.00 H new ATOM 264 N GLY A 18 -9.363 4.617 2.870 1.00 0.00 N ATOM 265 CA GLY A 18 -9.403 5.170 4.192 1.00 0.00 C ATOM 266 C GLY A 18 -8.390 4.558 5.120 1.00 0.00 C ATOM 267 O GLY A 18 -8.654 4.393 6.309 1.00 0.00 O ATOM 0 H GLY A 18 -8.939 5.223 2.168 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.231 6.245 4.135 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -10.400 5.028 4.608 1.00 0.00 H new ATOM 271 N ILE A 19 -7.243 4.184 4.593 1.00 0.00 N ATOM 272 CA ILE A 19 -6.200 3.644 5.442 1.00 0.00 C ATOM 273 C ILE A 19 -5.158 4.698 5.725 1.00 0.00 C ATOM 274 O ILE A 19 -5.179 5.775 5.134 1.00 0.00 O ATOM 275 CB ILE A 19 -5.520 2.396 4.845 1.00 0.00 C ATOM 276 CG1 ILE A 19 -4.698 2.740 3.598 1.00 0.00 C ATOM 277 CG2 ILE A 19 -6.568 1.345 4.536 1.00 0.00 C ATOM 278 CD1 ILE A 19 -3.962 1.555 3.016 1.00 0.00 C ATOM 0 H ILE A 19 -7.011 4.241 3.601 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.686 3.336 6.368 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.823 1.997 5.582 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.361 3.155 2.839 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.977 3.517 3.851 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -6.086 0.463 4.114 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -7.089 1.070 5.453 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -7.284 1.745 3.818 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.401 1.871 2.136 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.274 1.153 3.760 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.679 0.785 2.732 1.00 0.00 H new ATOM 290 N SER A 20 -4.254 4.381 6.592 1.00 0.00 N ATOM 291 CA SER A 20 -3.217 5.277 6.979 1.00 0.00 C ATOM 292 C SER A 20 -1.878 4.661 6.634 1.00 0.00 C ATOM 293 O SER A 20 -1.707 3.440 6.701 1.00 0.00 O ATOM 294 CB SER A 20 -3.326 5.534 8.472 1.00 0.00 C ATOM 295 OG SER A 20 -4.617 6.031 8.801 1.00 0.00 O ATOM 0 H SER A 20 -4.215 3.475 7.059 1.00 0.00 H new ATOM 0 HA SER A 20 -3.310 6.226 6.450 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.135 4.611 9.020 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.565 6.251 8.780 1.00 0.00 H new ATOM 0 HG SER A 20 -4.670 6.189 9.767 1.00 0.00 H new ATOM 301 N ILE A 21 -0.948 5.486 6.270 1.00 0.00 N ATOM 302 CA ILE A 21 0.361 5.042 5.875 1.00 0.00 C ATOM 303 C ILE A 21 1.395 5.702 6.753 1.00 0.00 C ATOM 304 O ILE A 21 1.082 6.672 7.456 1.00 0.00 O ATOM 305 CB ILE A 21 0.627 5.379 4.374 1.00 0.00 C ATOM 306 CG1 ILE A 21 0.510 6.893 4.093 1.00 0.00 C ATOM 307 CG2 ILE A 21 -0.297 4.588 3.456 1.00 0.00 C ATOM 308 CD1 ILE A 21 1.787 7.688 4.311 1.00 0.00 C ATOM 0 H ILE A 21 -1.072 6.498 6.237 1.00 0.00 H new ATOM 0 HA ILE A 21 0.423 3.960 5.993 1.00 0.00 H new ATOM 0 HB ILE A 21 1.654 5.083 4.161 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.185 7.032 3.062 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.271 7.306 4.731 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.086 4.846 2.418 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.132 3.521 3.606 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.334 4.831 3.687 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.604 8.739 4.088 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.106 7.587 5.349 1.00 0.00 H new ATOM 0 HD13 ILE A 21 2.569 7.308 3.653 1.00 0.00 H new ATOM 320 N ILE A 22 2.586 5.188 6.746 1.00 0.00 N ATOM 321 CA ILE A 22 3.658 5.812 7.449 1.00 0.00 C ATOM 322 C ILE A 22 4.876 5.895 6.547 1.00 0.00 C ATOM 323 O ILE A 22 5.210 4.924 5.857 1.00 0.00 O ATOM 324 CB ILE A 22 3.982 5.129 8.812 1.00 0.00 C ATOM 325 CG1 ILE A 22 5.082 5.908 9.567 1.00 0.00 C ATOM 326 CG2 ILE A 22 4.351 3.658 8.634 1.00 0.00 C ATOM 327 CD1 ILE A 22 5.390 5.381 10.953 1.00 0.00 C ATOM 0 H ILE A 22 2.839 4.330 6.256 1.00 0.00 H new ATOM 0 HA ILE A 22 3.340 6.821 7.711 1.00 0.00 H new ATOM 0 HB ILE A 22 3.078 5.154 9.421 1.00 0.00 H new ATOM 0 HG12 ILE A 22 5.996 5.887 8.973 1.00 0.00 H new ATOM 0 HG13 ILE A 22 4.779 6.952 9.649 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.570 3.218 9.607 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.518 3.127 8.174 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.229 3.578 7.994 1.00 0.00 H new ATOM 0 HD11 ILE A 22 6.173 5.988 11.407 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.491 5.428 11.568 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.728 4.347 10.882 1.00 0.00 H new ATOM 339 N GLY A 23 5.488 7.054 6.505 1.00 0.00 N ATOM 340 CA GLY A 23 6.624 7.254 5.664 1.00 0.00 C ATOM 341 C GLY A 23 7.904 7.059 6.402 1.00 0.00 C ATOM 342 O GLY A 23 8.293 7.885 7.221 1.00 0.00 O ATOM 0 H GLY A 23 5.210 7.871 7.049 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.580 6.561 4.824 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.595 8.261 5.248 1.00 0.00 H new ATOM 346 N MET A 24 8.536 5.963 6.144 1.00 0.00 N ATOM 347 CA MET A 24 9.799 5.626 6.761 1.00 0.00 C ATOM 348 C MET A 24 10.697 4.906 5.785 1.00 0.00 C ATOM 349 O MET A 24 10.699 3.683 5.696 1.00 0.00 O ATOM 350 CB MET A 24 9.615 4.886 8.108 1.00 0.00 C ATOM 351 CG MET A 24 8.618 3.736 8.069 1.00 0.00 C ATOM 352 SD MET A 24 8.404 2.902 9.664 1.00 0.00 S ATOM 353 CE MET A 24 10.052 2.230 9.915 1.00 0.00 C ATOM 0 H MET A 24 8.194 5.258 5.491 1.00 0.00 H new ATOM 0 HA MET A 24 10.309 6.553 7.022 1.00 0.00 H new ATOM 0 HB2 MET A 24 10.582 4.500 8.430 1.00 0.00 H new ATOM 0 HB3 MET A 24 9.291 5.605 8.861 1.00 0.00 H new ATOM 0 HG2 MET A 24 7.652 4.115 7.735 1.00 0.00 H new ATOM 0 HG3 MET A 24 8.947 3.007 7.329 1.00 0.00 H new ATOM 0 HE1 MET A 24 10.015 1.452 10.677 1.00 0.00 H new ATOM 0 HE2 MET A 24 10.418 1.805 8.980 1.00 0.00 H new ATOM 0 HE3 MET A 24 10.723 3.025 10.240 1.00 0.00 H new ATOM 363 N GLY A 25 11.405 5.714 5.005 1.00 0.00 N ATOM 364 CA GLY A 25 12.273 5.248 3.943 1.00 0.00 C ATOM 365 C GLY A 25 13.283 4.218 4.388 1.00 0.00 C ATOM 366 O GLY A 25 14.191 4.515 5.179 1.00 0.00 O ATOM 0 H GLY A 25 11.388 6.730 5.099 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.661 4.823 3.147 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.802 6.101 3.518 1.00 0.00 H new ATOM 370 N VAL A 26 13.118 3.031 3.898 1.00 0.00 N ATOM 371 CA VAL A 26 13.988 1.928 4.211 1.00 0.00 C ATOM 372 C VAL A 26 14.444 1.273 2.890 1.00 0.00 C ATOM 373 O VAL A 26 13.910 1.582 1.825 1.00 0.00 O ATOM 374 CB VAL A 26 13.227 0.890 5.101 1.00 0.00 C ATOM 375 CG1 VAL A 26 12.110 0.204 4.331 1.00 0.00 C ATOM 376 CG2 VAL A 26 14.161 -0.125 5.748 1.00 0.00 C ATOM 0 H VAL A 26 12.362 2.790 3.256 1.00 0.00 H new ATOM 0 HA VAL A 26 14.859 2.280 4.764 1.00 0.00 H new ATOM 0 HB VAL A 26 12.772 1.457 5.913 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.604 -0.510 4.982 1.00 0.00 H new ATOM 0 HG12 VAL A 26 11.395 0.950 3.986 1.00 0.00 H new ATOM 0 HG13 VAL A 26 12.529 -0.321 3.473 1.00 0.00 H new ATOM 0 HG21 VAL A 26 13.580 -0.820 6.354 1.00 0.00 H new ATOM 0 HG22 VAL A 26 14.693 -0.676 4.972 1.00 0.00 H new ATOM 0 HG23 VAL A 26 14.880 0.394 6.382 1.00 0.00 H new ATOM 386 N GLY A 27 15.441 0.423 2.951 1.00 0.00 N ATOM 387 CA GLY A 27 15.876 -0.296 1.788 1.00 0.00 C ATOM 388 C GLY A 27 17.164 0.243 1.247 1.00 0.00 C ATOM 389 O GLY A 27 17.870 -0.442 0.492 1.00 0.00 O ATOM 0 H GLY A 27 15.966 0.215 3.801 1.00 0.00 H new ATOM 0 HA2 GLY A 27 16.000 -1.350 2.038 1.00 0.00 H new ATOM 0 HA3 GLY A 27 15.107 -0.240 1.018 1.00 0.00 H new ATOM 393 N ALA A 28 17.488 1.453 1.637 1.00 0.00 N ATOM 394 CA ALA A 28 18.672 2.127 1.158 1.00 0.00 C ATOM 395 C ALA A 28 19.919 1.482 1.729 1.00 0.00 C ATOM 396 O ALA A 28 20.886 1.264 1.020 1.00 0.00 O ATOM 397 CB ALA A 28 18.606 3.612 1.470 1.00 0.00 C ATOM 0 H ALA A 28 16.936 2.000 2.298 1.00 0.00 H new ATOM 0 HA ALA A 28 18.720 2.026 0.074 1.00 0.00 H new ATOM 0 HB1 ALA A 28 19.507 4.102 1.101 1.00 0.00 H new ATOM 0 HB2 ALA A 28 17.732 4.047 0.985 1.00 0.00 H new ATOM 0 HB3 ALA A 28 18.531 3.754 2.548 1.00 0.00 H new ATOM 403 N ASP A 29 19.851 1.109 2.991 1.00 0.00 N ATOM 404 CA ASP A 29 20.966 0.426 3.672 1.00 0.00 C ATOM 405 C ASP A 29 21.195 -0.941 3.061 1.00 0.00 C ATOM 406 O ASP A 29 22.330 -1.382 2.902 1.00 0.00 O ATOM 407 CB ASP A 29 20.693 0.285 5.177 1.00 0.00 C ATOM 408 CG ASP A 29 21.704 -0.609 5.890 1.00 0.00 C ATOM 409 OD1 ASP A 29 21.477 -1.838 5.974 1.00 0.00 O ATOM 410 OD2 ASP A 29 22.728 -0.104 6.399 1.00 0.00 O ATOM 0 H ASP A 29 19.034 1.263 3.582 1.00 0.00 H new ATOM 0 HA ASP A 29 21.862 1.033 3.541 1.00 0.00 H new ATOM 0 HB2 ASP A 29 20.705 1.274 5.636 1.00 0.00 H new ATOM 0 HB3 ASP A 29 19.692 -0.122 5.322 1.00 0.00 H new ATOM 415 N ALA A 30 20.107 -1.589 2.691 1.00 0.00 N ATOM 416 CA ALA A 30 20.166 -2.897 2.067 1.00 0.00 C ATOM 417 C ALA A 30 20.794 -2.812 0.672 1.00 0.00 C ATOM 418 O ALA A 30 21.390 -3.776 0.189 1.00 0.00 O ATOM 419 CB ALA A 30 18.778 -3.517 1.997 1.00 0.00 C ATOM 0 H ALA A 30 19.162 -1.226 2.814 1.00 0.00 H new ATOM 0 HA ALA A 30 20.799 -3.538 2.681 1.00 0.00 H new ATOM 0 HB1 ALA A 30 18.841 -4.498 1.526 1.00 0.00 H new ATOM 0 HB2 ALA A 30 18.376 -3.623 3.004 1.00 0.00 H new ATOM 0 HB3 ALA A 30 18.122 -2.874 1.410 1.00 0.00 H new ATOM 425 N GLY A 31 20.674 -1.656 0.041 1.00 0.00 N ATOM 426 CA GLY A 31 21.248 -1.465 -1.269 1.00 0.00 C ATOM 427 C GLY A 31 20.207 -1.458 -2.358 1.00 0.00 C ATOM 428 O GLY A 31 20.501 -1.148 -3.513 1.00 0.00 O ATOM 0 H GLY A 31 20.186 -0.843 0.417 1.00 0.00 H new ATOM 0 HA2 GLY A 31 21.796 -0.523 -1.288 1.00 0.00 H new ATOM 0 HA3 GLY A 31 21.970 -2.258 -1.465 1.00 0.00 H new ATOM 432 N LEU A 32 18.989 -1.785 -1.995 1.00 0.00 N ATOM 433 CA LEU A 32 17.902 -1.854 -2.959 1.00 0.00 C ATOM 434 C LEU A 32 17.283 -0.496 -3.176 1.00 0.00 C ATOM 435 O LEU A 32 16.845 -0.190 -4.269 1.00 0.00 O ATOM 436 CB LEU A 32 16.796 -2.853 -2.541 1.00 0.00 C ATOM 437 CG LEU A 32 17.137 -4.357 -2.554 1.00 0.00 C ATOM 438 CD1 LEU A 32 18.120 -4.735 -1.459 1.00 0.00 C ATOM 439 CD2 LEU A 32 15.870 -5.187 -2.451 1.00 0.00 C ATOM 0 H LEU A 32 18.720 -2.009 -1.037 1.00 0.00 H new ATOM 0 HA LEU A 32 18.347 -2.210 -3.888 1.00 0.00 H new ATOM 0 HB2 LEU A 32 16.474 -2.592 -1.533 1.00 0.00 H new ATOM 0 HB3 LEU A 32 15.941 -2.699 -3.199 1.00 0.00 H new ATOM 0 HG LEU A 32 17.625 -4.571 -3.505 1.00 0.00 H new ATOM 0 HD11 LEU A 32 18.328 -5.804 -1.510 1.00 0.00 H new ATOM 0 HD12 LEU A 32 19.047 -4.178 -1.594 1.00 0.00 H new ATOM 0 HD13 LEU A 32 17.691 -4.495 -0.486 1.00 0.00 H new ATOM 0 HD21 LEU A 32 16.127 -6.246 -2.461 1.00 0.00 H new ATOM 0 HD22 LEU A 32 15.353 -4.948 -1.522 1.00 0.00 H new ATOM 0 HD23 LEU A 32 15.219 -4.963 -3.296 1.00 0.00 H new ATOM 451 N GLU A 33 17.277 0.312 -2.116 1.00 0.00 N ATOM 452 CA GLU A 33 16.645 1.631 -2.098 1.00 0.00 C ATOM 453 C GLU A 33 15.165 1.505 -2.441 1.00 0.00 C ATOM 454 O GLU A 33 14.735 1.717 -3.575 1.00 0.00 O ATOM 455 CB GLU A 33 17.353 2.632 -3.012 1.00 0.00 C ATOM 456 CG GLU A 33 18.822 2.849 -2.685 1.00 0.00 C ATOM 457 CD GLU A 33 19.453 3.874 -3.586 1.00 0.00 C ATOM 458 OE1 GLU A 33 19.851 3.539 -4.722 1.00 0.00 O ATOM 459 OE2 GLU A 33 19.548 5.042 -3.194 1.00 0.00 O ATOM 0 H GLU A 33 17.719 0.064 -1.231 1.00 0.00 H new ATOM 0 HA GLU A 33 16.737 2.030 -1.088 1.00 0.00 H new ATOM 0 HB2 GLU A 33 17.270 2.287 -4.043 1.00 0.00 H new ATOM 0 HB3 GLU A 33 16.835 3.589 -2.953 1.00 0.00 H new ATOM 0 HG2 GLU A 33 18.919 3.169 -1.648 1.00 0.00 H new ATOM 0 HG3 GLU A 33 19.358 1.904 -2.779 1.00 0.00 H new ATOM 466 N LYS A 34 14.409 1.093 -1.470 1.00 0.00 N ATOM 467 CA LYS A 34 13.039 0.825 -1.629 1.00 0.00 C ATOM 468 C LYS A 34 12.289 2.028 -1.083 1.00 0.00 C ATOM 469 O LYS A 34 12.910 2.981 -0.590 1.00 0.00 O ATOM 470 CB LYS A 34 12.751 -0.375 -0.743 1.00 0.00 C ATOM 471 CG LYS A 34 11.522 -1.168 -1.057 1.00 0.00 C ATOM 472 CD LYS A 34 11.692 -1.985 -2.330 1.00 0.00 C ATOM 473 CE LYS A 34 10.519 -2.931 -2.550 1.00 0.00 C ATOM 474 NZ LYS A 34 10.710 -3.761 -3.753 1.00 0.00 N ATOM 0 H LYS A 34 14.752 0.934 -0.523 1.00 0.00 H new ATOM 0 HA LYS A 34 12.753 0.636 -2.664 1.00 0.00 H new ATOM 0 HB2 LYS A 34 13.609 -1.046 -0.791 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.676 -0.026 0.287 1.00 0.00 H new ATOM 0 HG2 LYS A 34 11.295 -1.834 -0.224 1.00 0.00 H new ATOM 0 HG3 LYS A 34 10.672 -0.495 -1.167 1.00 0.00 H new ATOM 0 HD2 LYS A 34 11.784 -1.314 -3.184 1.00 0.00 H new ATOM 0 HD3 LYS A 34 12.617 -2.559 -2.274 1.00 0.00 H new ATOM 0 HE2 LYS A 34 10.401 -3.575 -1.678 1.00 0.00 H new ATOM 0 HE3 LYS A 34 9.599 -2.354 -2.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.893 -4.393 -3.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.798 -3.147 -4.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 11.575 -4.329 -3.649 1.00 0.00 H new ATOM 488 N LEU A 35 10.998 2.016 -1.195 1.00 0.00 N ATOM 489 CA LEU A 35 10.195 2.980 -0.543 1.00 0.00 C ATOM 490 C LEU A 35 10.107 2.581 0.921 1.00 0.00 C ATOM 491 O LEU A 35 10.521 1.479 1.302 1.00 0.00 O ATOM 492 CB LEU A 35 8.778 2.998 -1.114 1.00 0.00 C ATOM 493 CG LEU A 35 7.921 1.752 -0.845 1.00 0.00 C ATOM 494 CD1 LEU A 35 6.492 2.161 -0.685 1.00 0.00 C ATOM 495 CD2 LEU A 35 8.022 0.739 -1.981 1.00 0.00 C ATOM 0 H LEU A 35 10.478 1.332 -1.745 1.00 0.00 H new ATOM 0 HA LEU A 35 10.637 3.967 -0.679 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.257 3.866 -0.709 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.845 3.141 -2.192 1.00 0.00 H new ATOM 0 HG LEU A 35 8.292 1.281 0.065 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.880 1.279 -0.494 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.403 2.853 0.153 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.149 2.650 -1.597 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.401 -0.127 -1.752 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.678 1.197 -2.908 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.059 0.423 -2.095 1.00 0.00 H new ATOM 507 N GLY A 36 9.575 3.429 1.717 1.00 0.00 N ATOM 508 CA GLY A 36 9.388 3.093 3.078 1.00 0.00 C ATOM 509 C GLY A 36 8.009 3.416 3.522 1.00 0.00 C ATOM 510 O GLY A 36 7.794 3.832 4.643 1.00 0.00 O ATOM 0 H GLY A 36 9.261 4.362 1.451 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.581 2.030 3.223 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.108 3.635 3.692 1.00 0.00 H new ATOM 514 N ILE A 37 7.066 3.245 2.650 1.00 0.00 N ATOM 515 CA ILE A 37 5.718 3.542 3.009 1.00 0.00 C ATOM 516 C ILE A 37 5.036 2.292 3.473 1.00 0.00 C ATOM 517 O ILE A 37 4.711 1.395 2.684 1.00 0.00 O ATOM 518 CB ILE A 37 4.907 4.195 1.883 1.00 0.00 C ATOM 519 CG1 ILE A 37 5.643 5.435 1.323 1.00 0.00 C ATOM 520 CG2 ILE A 37 3.530 4.575 2.425 1.00 0.00 C ATOM 521 CD1 ILE A 37 5.762 6.602 2.271 1.00 0.00 C ATOM 0 H ILE A 37 7.202 2.906 1.698 1.00 0.00 H new ATOM 0 HA ILE A 37 5.764 4.276 3.813 1.00 0.00 H new ATOM 0 HB ILE A 37 4.790 3.489 1.061 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.645 5.134 1.017 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.123 5.770 0.425 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.943 5.041 1.633 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.018 3.680 2.777 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.645 5.276 3.252 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.294 7.417 1.780 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.766 6.940 2.559 1.00 0.00 H new ATOM 0 HD13 ILE A 37 6.312 6.294 3.160 1.00 0.00 H new ATOM 533 N PHE A 38 4.854 2.220 4.734 1.00 0.00 N ATOM 534 CA PHE A 38 4.237 1.091 5.332 1.00 0.00 C ATOM 535 C PHE A 38 2.830 1.397 5.669 1.00 0.00 C ATOM 536 O PHE A 38 2.430 2.576 5.726 1.00 0.00 O ATOM 537 CB PHE A 38 4.993 0.666 6.571 1.00 0.00 C ATOM 538 CG PHE A 38 6.365 0.161 6.268 1.00 0.00 C ATOM 539 CD1 PHE A 38 6.555 -1.142 5.854 1.00 0.00 C ATOM 540 CD2 PHE A 38 7.458 0.984 6.393 1.00 0.00 C ATOM 541 CE1 PHE A 38 7.813 -1.612 5.570 1.00 0.00 C ATOM 542 CE2 PHE A 38 8.724 0.527 6.112 1.00 0.00 C ATOM 543 CZ PHE A 38 8.901 -0.780 5.700 1.00 0.00 C ATOM 0 H PHE A 38 5.130 2.948 5.393 1.00 0.00 H new ATOM 0 HA PHE A 38 4.256 0.268 4.618 1.00 0.00 H new ATOM 0 HB2 PHE A 38 5.065 1.512 7.255 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.430 -0.113 7.085 1.00 0.00 H new ATOM 0 HD1 PHE A 38 5.704 -1.799 5.752 1.00 0.00 H new ATOM 0 HD2 PHE A 38 7.321 2.005 6.717 1.00 0.00 H new ATOM 0 HE1 PHE A 38 7.948 -2.633 5.245 1.00 0.00 H new ATOM 0 HE2 PHE A 38 9.574 1.185 6.213 1.00 0.00 H new ATOM 0 HZ PHE A 38 9.892 -1.148 5.480 1.00 0.00 H new ATOM 553 N VAL A 39 2.072 0.369 5.866 1.00 0.00 N ATOM 554 CA VAL A 39 0.720 0.513 6.266 1.00 0.00 C ATOM 555 C VAL A 39 0.727 0.836 7.744 1.00 0.00 C ATOM 556 O VAL A 39 1.237 0.070 8.551 1.00 0.00 O ATOM 557 CB VAL A 39 -0.097 -0.776 6.000 1.00 0.00 C ATOM 558 CG1 VAL A 39 -1.570 -0.544 6.293 1.00 0.00 C ATOM 559 CG2 VAL A 39 0.104 -1.252 4.564 1.00 0.00 C ATOM 0 H VAL A 39 2.379 -0.597 5.752 1.00 0.00 H new ATOM 0 HA VAL A 39 0.245 1.307 5.690 1.00 0.00 H new ATOM 0 HB VAL A 39 0.263 -1.557 6.669 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.128 -1.460 6.100 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.692 -0.257 7.337 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.948 0.252 5.652 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.478 -2.158 4.396 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.226 -0.476 3.874 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.160 -1.462 4.395 1.00 0.00 H new ATOM 569 N LYS A 40 0.229 1.983 8.071 1.00 0.00 N ATOM 570 CA LYS A 40 0.199 2.450 9.428 1.00 0.00 C ATOM 571 C LYS A 40 -1.024 1.894 10.112 1.00 0.00 C ATOM 572 O LYS A 40 -0.935 1.277 11.170 1.00 0.00 O ATOM 573 CB LYS A 40 0.192 3.982 9.434 1.00 0.00 C ATOM 574 CG LYS A 40 0.000 4.641 10.779 1.00 0.00 C ATOM 575 CD LYS A 40 1.081 4.274 11.768 1.00 0.00 C ATOM 576 CE LYS A 40 0.825 4.983 13.066 1.00 0.00 C ATOM 577 NZ LYS A 40 1.789 4.611 14.115 1.00 0.00 N ATOM 0 H LYS A 40 -0.175 2.635 7.398 1.00 0.00 H new ATOM 0 HA LYS A 40 1.082 2.110 9.970 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.135 4.331 9.013 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -0.601 4.324 8.768 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.016 5.723 10.650 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.970 4.354 11.184 1.00 0.00 H new ATOM 0 HD2 LYS A 40 1.095 3.196 11.926 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.059 4.552 11.375 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.870 6.060 12.902 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.184 4.754 13.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.567 5.128 14.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.730 3.588 14.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.751 4.853 13.804 1.00 0.00 H new ATOM 591 N THR A 41 -2.150 2.078 9.480 1.00 0.00 N ATOM 592 CA THR A 41 -3.397 1.616 9.997 1.00 0.00 C ATOM 593 C THR A 41 -4.264 1.301 8.800 1.00 0.00 C ATOM 594 O THR A 41 -4.003 1.805 7.699 1.00 0.00 O ATOM 595 CB THR A 41 -4.119 2.713 10.793 1.00 0.00 C ATOM 596 OG1 THR A 41 -3.167 3.592 11.431 1.00 0.00 O ATOM 597 CG2 THR A 41 -4.996 2.097 11.871 1.00 0.00 C ATOM 0 H THR A 41 -2.223 2.558 8.583 1.00 0.00 H new ATOM 0 HA THR A 41 -3.222 0.762 10.652 1.00 0.00 H new ATOM 0 HB THR A 41 -4.731 3.280 10.092 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.646 4.285 11.932 1.00 0.00 H new ATOM 0 HG21 THR A 41 -5.500 2.888 12.426 1.00 0.00 H new ATOM 0 HG22 THR A 41 -5.739 1.448 11.408 1.00 0.00 H new ATOM 0 HG23 THR A 41 -4.378 1.513 12.553 1.00 0.00 H new ATOM 605 N VAL A 42 -5.277 0.523 8.986 1.00 0.00 N ATOM 606 CA VAL A 42 -6.167 0.207 7.931 1.00 0.00 C ATOM 607 C VAL A 42 -7.547 0.638 8.411 1.00 0.00 C ATOM 608 O VAL A 42 -7.726 0.884 9.610 1.00 0.00 O ATOM 609 CB VAL A 42 -6.158 -1.323 7.578 1.00 0.00 C ATOM 610 CG1 VAL A 42 -6.926 -1.602 6.303 1.00 0.00 C ATOM 611 CG2 VAL A 42 -4.753 -1.867 7.450 1.00 0.00 C ATOM 0 H VAL A 42 -5.508 0.089 9.880 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.870 0.720 7.016 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.650 -1.832 8.407 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.899 -2.670 6.089 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.961 -1.282 6.424 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.471 -1.055 5.477 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.795 -2.928 7.205 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.227 -1.333 6.659 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.224 -1.733 8.393 1.00 0.00 H new ATOM 621 N THR A 43 -8.475 0.782 7.515 1.00 0.00 N ATOM 622 CA THR A 43 -9.805 1.147 7.863 1.00 0.00 C ATOM 623 C THR A 43 -10.489 -0.068 8.486 1.00 0.00 C ATOM 624 O THR A 43 -10.301 -1.222 8.040 1.00 0.00 O ATOM 625 CB THR A 43 -10.590 1.630 6.624 1.00 0.00 C ATOM 626 OG1 THR A 43 -11.905 2.042 6.992 1.00 0.00 O ATOM 627 CG2 THR A 43 -10.689 0.514 5.624 1.00 0.00 C ATOM 0 H THR A 43 -8.325 0.647 6.515 1.00 0.00 H new ATOM 0 HA THR A 43 -9.781 1.971 8.576 1.00 0.00 H new ATOM 0 HB THR A 43 -10.060 2.477 6.188 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.387 2.346 6.195 1.00 0.00 H new ATOM 0 HG21 THR A 43 -11.243 0.857 4.750 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.688 0.207 5.321 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.208 -0.333 6.074 1.00 0.00 H new ATOM 635 N GLU A 44 -11.256 0.186 9.466 1.00 0.00 N ATOM 636 CA GLU A 44 -11.893 -0.836 10.223 1.00 0.00 C ATOM 637 C GLU A 44 -13.291 -1.038 9.678 1.00 0.00 C ATOM 638 O GLU A 44 -13.824 -2.153 9.648 1.00 0.00 O ATOM 639 CB GLU A 44 -11.898 -0.390 11.668 1.00 0.00 C ATOM 640 CG GLU A 44 -12.407 -1.388 12.662 1.00 0.00 C ATOM 641 CD GLU A 44 -12.333 -0.824 14.046 1.00 0.00 C ATOM 642 OE1 GLU A 44 -13.169 0.046 14.384 1.00 0.00 O ATOM 643 OE2 GLU A 44 -11.427 -1.209 14.814 1.00 0.00 O ATOM 0 H GLU A 44 -11.472 1.132 9.782 1.00 0.00 H new ATOM 0 HA GLU A 44 -11.373 -1.792 10.154 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -10.880 -0.116 11.946 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.504 0.513 11.747 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -13.437 -1.655 12.425 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -11.819 -2.304 12.603 1.00 0.00 H new ATOM 650 N GLY A 45 -13.832 0.035 9.183 1.00 0.00 N ATOM 651 CA GLY A 45 -15.144 0.037 8.605 1.00 0.00 C ATOM 652 C GLY A 45 -15.093 0.127 7.131 1.00 0.00 C ATOM 653 O GLY A 45 -15.787 0.940 6.507 1.00 0.00 O ATOM 0 H GLY A 45 -13.370 0.944 9.169 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -15.671 -0.872 8.896 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -15.715 0.877 9.001 1.00 0.00 H new ATOM 657 N GLY A 46 -14.296 -0.702 6.576 1.00 0.00 N ATOM 658 CA GLY A 46 -14.146 -0.772 5.218 1.00 0.00 C ATOM 659 C GLY A 46 -13.735 -2.144 4.894 1.00 0.00 C ATOM 660 O GLY A 46 -13.063 -2.799 5.700 1.00 0.00 O ATOM 0 H GLY A 46 -13.719 -1.365 7.094 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -15.080 -0.522 4.715 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -13.398 -0.056 4.877 1.00 0.00 H new ATOM 664 N ALA A 47 -14.093 -2.567 3.741 1.00 0.00 N ATOM 665 CA ALA A 47 -13.845 -3.926 3.245 1.00 0.00 C ATOM 666 C ALA A 47 -12.345 -4.357 3.192 1.00 0.00 C ATOM 667 O ALA A 47 -12.056 -5.468 2.839 1.00 0.00 O ATOM 668 CB ALA A 47 -14.502 -4.116 1.888 1.00 0.00 C ATOM 0 H ALA A 47 -14.587 -1.979 3.069 1.00 0.00 H new ATOM 0 HA ALA A 47 -14.297 -4.586 3.986 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -14.311 -5.128 1.530 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -15.577 -3.960 1.979 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -14.090 -3.397 1.180 1.00 0.00 H new ATOM 674 N ALA A 48 -11.418 -3.495 3.599 1.00 0.00 N ATOM 675 CA ALA A 48 -9.991 -3.819 3.540 1.00 0.00 C ATOM 676 C ALA A 48 -9.640 -4.814 4.632 1.00 0.00 C ATOM 677 O ALA A 48 -9.090 -5.878 4.363 1.00 0.00 O ATOM 678 CB ALA A 48 -9.149 -2.563 3.663 1.00 0.00 C ATOM 0 H ALA A 48 -11.625 -2.569 3.973 1.00 0.00 H new ATOM 0 HA ALA A 48 -9.774 -4.272 2.573 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.093 -2.827 3.617 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.389 -1.883 2.846 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.360 -2.076 4.615 1.00 0.00 H new ATOM 684 N GLN A 49 -9.992 -4.484 5.863 1.00 0.00 N ATOM 685 CA GLN A 49 -9.765 -5.405 6.972 1.00 0.00 C ATOM 686 C GLN A 49 -10.816 -6.486 6.992 1.00 0.00 C ATOM 687 O GLN A 49 -10.673 -7.494 7.677 1.00 0.00 O ATOM 688 CB GLN A 49 -9.696 -4.686 8.306 1.00 0.00 C ATOM 689 CG GLN A 49 -8.476 -3.811 8.431 1.00 0.00 C ATOM 690 CD GLN A 49 -8.327 -3.120 9.772 1.00 0.00 C ATOM 691 OE1 GLN A 49 -9.419 -2.884 10.449 1.00 0.00 O flip ATOM 692 NE2 GLN A 49 -7.212 -2.829 10.198 1.00 0.00 N flip ATOM 0 H GLN A 49 -10.430 -3.600 6.121 1.00 0.00 H new ATOM 0 HA GLN A 49 -8.793 -5.872 6.812 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -10.590 -4.076 8.432 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -9.695 -5.421 9.111 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -7.590 -4.419 8.250 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -8.508 -3.053 7.648 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -6.384 -3.030 9.638 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -7.115 -2.386 11.112 1.00 0.00 H new ATOM 701 N ARG A 50 -11.878 -6.270 6.235 1.00 0.00 N ATOM 702 CA ARG A 50 -12.890 -7.279 6.084 1.00 0.00 C ATOM 703 C ARG A 50 -12.333 -8.350 5.171 1.00 0.00 C ATOM 704 O ARG A 50 -12.497 -9.543 5.420 1.00 0.00 O ATOM 705 CB ARG A 50 -14.163 -6.697 5.493 1.00 0.00 C ATOM 706 CG ARG A 50 -14.742 -5.570 6.323 1.00 0.00 C ATOM 707 CD ARG A 50 -15.299 -6.034 7.655 1.00 0.00 C ATOM 708 NE ARG A 50 -16.426 -6.954 7.503 1.00 0.00 N ATOM 709 CZ ARG A 50 -17.427 -7.087 8.380 1.00 0.00 C ATOM 710 NH1 ARG A 50 -17.465 -6.323 9.472 1.00 0.00 N ATOM 711 NH2 ARG A 50 -18.391 -7.978 8.157 1.00 0.00 N ATOM 0 H ARG A 50 -12.054 -5.407 5.721 1.00 0.00 H new ATOM 0 HA ARG A 50 -13.148 -7.694 7.059 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -13.955 -6.330 4.488 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -14.906 -7.488 5.396 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -13.968 -4.823 6.500 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -15.534 -5.080 5.756 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -14.509 -6.524 8.224 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -15.618 -5.167 8.233 1.00 0.00 H new ATOM 0 HE ARG A 50 -16.450 -7.537 6.666 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -16.730 -5.636 9.640 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -18.229 -6.426 10.140 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -18.365 -8.558 7.318 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -19.155 -8.081 8.825 1.00 0.00 H new ATOM 725 N ASP A 51 -11.631 -7.896 4.118 1.00 0.00 N ATOM 726 CA ASP A 51 -10.970 -8.804 3.171 1.00 0.00 C ATOM 727 C ASP A 51 -9.945 -9.655 3.914 1.00 0.00 C ATOM 728 O ASP A 51 -10.026 -10.893 3.922 1.00 0.00 O ATOM 729 CB ASP A 51 -10.275 -8.017 2.052 1.00 0.00 C ATOM 730 CG ASP A 51 -9.712 -8.915 0.977 1.00 0.00 C ATOM 731 OD1 ASP A 51 -8.670 -9.550 1.198 1.00 0.00 O ATOM 732 OD2 ASP A 51 -10.297 -8.982 -0.129 1.00 0.00 O ATOM 0 H ASP A 51 -11.508 -6.906 3.903 1.00 0.00 H new ATOM 0 HA ASP A 51 -11.726 -9.446 2.720 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -10.986 -7.322 1.605 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -9.470 -7.418 2.479 1.00 0.00 H new ATOM 737 N GLY A 52 -8.991 -8.988 4.540 1.00 0.00 N ATOM 738 CA GLY A 52 -8.024 -9.676 5.377 1.00 0.00 C ATOM 739 C GLY A 52 -6.761 -10.135 4.659 1.00 0.00 C ATOM 740 O GLY A 52 -5.811 -10.582 5.316 1.00 0.00 O ATOM 0 H GLY A 52 -8.865 -7.977 4.485 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.739 -9.015 6.195 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.506 -10.546 5.824 1.00 0.00 H new ATOM 744 N ARG A 53 -6.726 -10.048 3.325 1.00 0.00 N ATOM 745 CA ARG A 53 -5.518 -10.448 2.584 1.00 0.00 C ATOM 746 C ARG A 53 -4.432 -9.422 2.891 1.00 0.00 C ATOM 747 O ARG A 53 -3.273 -9.755 3.055 1.00 0.00 O ATOM 748 CB ARG A 53 -5.793 -10.462 1.065 1.00 0.00 C ATOM 749 CG ARG A 53 -5.033 -11.511 0.194 1.00 0.00 C ATOM 750 CD ARG A 53 -3.500 -11.394 0.180 1.00 0.00 C ATOM 751 NE ARG A 53 -2.884 -11.830 1.440 1.00 0.00 N ATOM 752 CZ ARG A 53 -2.016 -12.836 1.588 1.00 0.00 C ATOM 753 NH1 ARG A 53 -1.571 -13.509 0.538 1.00 0.00 N ATOM 754 NH2 ARG A 53 -1.579 -13.143 2.802 1.00 0.00 N ATOM 0 H ARG A 53 -7.496 -9.714 2.746 1.00 0.00 H new ATOM 0 HA ARG A 53 -5.211 -11.450 2.883 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.862 -10.619 0.920 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.560 -9.471 0.674 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -5.298 -12.507 0.548 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.393 -11.431 -0.832 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -3.102 -11.992 -0.640 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.221 -10.359 -0.016 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.143 -11.316 2.282 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.890 -13.262 -0.399 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.909 -14.274 0.666 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.905 -12.614 3.610 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -0.917 -13.909 2.927 1.00 0.00 H new ATOM 768 N ILE A 54 -4.843 -8.196 2.999 1.00 0.00 N ATOM 769 CA ILE A 54 -3.941 -7.113 3.258 1.00 0.00 C ATOM 770 C ILE A 54 -3.663 -7.065 4.768 1.00 0.00 C ATOM 771 O ILE A 54 -4.504 -7.519 5.572 1.00 0.00 O ATOM 772 CB ILE A 54 -4.565 -5.778 2.760 1.00 0.00 C ATOM 773 CG1 ILE A 54 -3.492 -4.714 2.567 1.00 0.00 C ATOM 774 CG2 ILE A 54 -5.641 -5.283 3.741 1.00 0.00 C ATOM 775 CD1 ILE A 54 -4.003 -3.481 1.862 1.00 0.00 C ATOM 0 H ILE A 54 -5.820 -7.915 2.910 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.002 -7.261 2.725 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.036 -5.966 1.795 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.091 -4.429 3.540 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.667 -5.138 1.994 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.065 -4.348 3.375 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.429 -6.031 3.824 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.192 -5.118 4.721 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.192 -2.761 1.755 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.378 -3.755 0.876 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -4.809 -3.036 2.446 1.00 0.00 H new ATOM 787 N GLN A 55 -2.514 -6.571 5.163 1.00 0.00 N ATOM 788 CA GLN A 55 -2.194 -6.524 6.566 1.00 0.00 C ATOM 789 C GLN A 55 -1.770 -5.108 6.939 1.00 0.00 C ATOM 790 O GLN A 55 -1.379 -4.321 6.078 1.00 0.00 O ATOM 791 CB GLN A 55 -1.070 -7.514 6.899 1.00 0.00 C ATOM 792 CG GLN A 55 -1.244 -8.892 6.268 1.00 0.00 C ATOM 793 CD GLN A 55 -0.054 -9.794 6.486 1.00 0.00 C ATOM 794 OE1 GLN A 55 -0.006 -10.577 7.441 1.00 0.00 O ATOM 795 NE2 GLN A 55 0.953 -9.628 5.686 1.00 0.00 N ATOM 0 H GLN A 55 -1.795 -6.201 4.541 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.077 -6.805 7.140 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.120 -7.093 6.569 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.010 -7.627 7.981 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.133 -9.366 6.683 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -1.414 -8.777 5.198 1.00 0.00 H new ATOM 0 HE21 GLN A 55 0.883 -8.974 4.906 1.00 0.00 H new ATOM 0 HE22 GLN A 55 1.816 -10.151 5.836 1.00 0.00 H new ATOM 804 N VAL A 56 -1.807 -4.805 8.221 1.00 0.00 N ATOM 805 CA VAL A 56 -1.475 -3.468 8.719 1.00 0.00 C ATOM 806 C VAL A 56 0.041 -3.364 9.029 1.00 0.00 C ATOM 807 O VAL A 56 0.497 -2.456 9.701 1.00 0.00 O ATOM 808 CB VAL A 56 -2.323 -3.141 10.007 1.00 0.00 C ATOM 809 CG1 VAL A 56 -1.884 -3.958 11.219 1.00 0.00 C ATOM 810 CG2 VAL A 56 -2.332 -1.654 10.325 1.00 0.00 C ATOM 0 H VAL A 56 -2.066 -5.469 8.951 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.718 -2.739 7.946 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.347 -3.435 9.774 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.500 -3.694 12.078 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.999 -5.020 11.003 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.839 -3.744 11.443 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.928 -1.477 11.220 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.311 -1.312 10.496 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.763 -1.105 9.487 1.00 0.00 H new ATOM 820 N ASN A 57 0.819 -4.281 8.510 1.00 0.00 N ATOM 821 CA ASN A 57 2.246 -4.280 8.815 1.00 0.00 C ATOM 822 C ASN A 57 3.053 -4.564 7.551 1.00 0.00 C ATOM 823 O ASN A 57 4.226 -4.922 7.590 1.00 0.00 O ATOM 824 CB ASN A 57 2.521 -5.284 9.960 1.00 0.00 C ATOM 825 CG ASN A 57 3.935 -5.225 10.547 1.00 0.00 C ATOM 826 OD1 ASN A 57 4.815 -6.000 10.178 1.00 0.00 O ATOM 827 ND2 ASN A 57 4.157 -4.312 11.465 1.00 0.00 N ATOM 0 H ASN A 57 0.507 -5.026 7.887 1.00 0.00 H new ATOM 0 HA ASN A 57 2.565 -3.298 9.164 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.804 -5.104 10.761 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.339 -6.293 9.590 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.080 -4.232 11.892 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.407 -3.683 11.751 1.00 0.00 H new ATOM 834 N ASP A 58 2.418 -4.338 6.428 1.00 0.00 N ATOM 835 CA ASP A 58 3.056 -4.530 5.140 1.00 0.00 C ATOM 836 C ASP A 58 3.435 -3.195 4.540 1.00 0.00 C ATOM 837 O ASP A 58 3.251 -2.136 5.169 1.00 0.00 O ATOM 838 CB ASP A 58 2.163 -5.286 4.148 1.00 0.00 C ATOM 839 CG ASP A 58 2.000 -6.756 4.438 1.00 0.00 C ATOM 840 OD1 ASP A 58 3.011 -7.455 4.649 1.00 0.00 O ATOM 841 OD2 ASP A 58 0.859 -7.231 4.460 1.00 0.00 O ATOM 0 H ASP A 58 1.451 -4.018 6.375 1.00 0.00 H new ATOM 0 HA ASP A 58 3.946 -5.133 5.319 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.178 -4.820 4.140 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.578 -5.171 3.147 1.00 0.00 H new ATOM 846 N GLN A 59 3.932 -3.232 3.330 1.00 0.00 N ATOM 847 CA GLN A 59 4.352 -2.052 2.623 1.00 0.00 C ATOM 848 C GLN A 59 3.573 -1.912 1.336 1.00 0.00 C ATOM 849 O GLN A 59 3.447 -2.874 0.582 1.00 0.00 O ATOM 850 CB GLN A 59 5.839 -2.150 2.315 1.00 0.00 C ATOM 851 CG GLN A 59 6.367 -1.015 1.461 1.00 0.00 C ATOM 852 CD GLN A 59 7.862 -1.022 1.322 1.00 0.00 C ATOM 853 OE1 GLN A 59 8.420 -1.642 0.418 1.00 0.00 O ATOM 854 NE2 GLN A 59 8.515 -0.313 2.197 1.00 0.00 N ATOM 0 H GLN A 59 4.058 -4.096 2.802 1.00 0.00 H new ATOM 0 HA GLN A 59 4.165 -1.177 3.245 1.00 0.00 H new ATOM 0 HB2 GLN A 59 6.393 -2.173 3.253 1.00 0.00 H new ATOM 0 HB3 GLN A 59 6.033 -3.094 1.807 1.00 0.00 H new ATOM 0 HG2 GLN A 59 5.917 -1.075 0.470 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.054 -0.066 1.896 1.00 0.00 H new ATOM 0 HE21 GLN A 59 8.009 0.185 2.930 1.00 0.00 H new ATOM 0 HE22 GLN A 59 9.532 -0.255 2.150 1.00 0.00 H new ATOM 863 N ILE A 60 3.064 -0.724 1.078 1.00 0.00 N ATOM 864 CA ILE A 60 2.345 -0.472 -0.148 1.00 0.00 C ATOM 865 C ILE A 60 3.366 -0.326 -1.266 1.00 0.00 C ATOM 866 O ILE A 60 3.984 0.704 -1.390 1.00 0.00 O ATOM 867 CB ILE A 60 1.518 0.841 -0.091 1.00 0.00 C ATOM 868 CG1 ILE A 60 0.544 0.861 1.101 1.00 0.00 C ATOM 869 CG2 ILE A 60 0.754 1.004 -1.388 1.00 0.00 C ATOM 870 CD1 ILE A 60 -0.485 -0.254 1.096 1.00 0.00 C ATOM 0 H ILE A 60 3.136 0.079 1.702 1.00 0.00 H new ATOM 0 HA ILE A 60 1.657 -1.301 -0.311 1.00 0.00 H new ATOM 0 HB ILE A 60 2.211 1.671 0.045 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.120 0.802 2.025 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.023 1.818 1.111 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.171 1.925 -1.354 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.456 1.050 -2.221 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.084 0.155 -1.525 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.127 -0.160 1.972 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.091 -0.186 0.193 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.023 -1.218 1.120 1.00 0.00 H new ATOM 882 N VAL A 61 3.547 -1.344 -2.056 1.00 0.00 N ATOM 883 CA VAL A 61 4.577 -1.308 -3.079 1.00 0.00 C ATOM 884 C VAL A 61 4.087 -0.536 -4.310 1.00 0.00 C ATOM 885 O VAL A 61 4.762 0.370 -4.808 1.00 0.00 O ATOM 886 CB VAL A 61 5.048 -2.751 -3.444 1.00 0.00 C ATOM 887 CG1 VAL A 61 6.023 -2.771 -4.593 1.00 0.00 C ATOM 888 CG2 VAL A 61 5.654 -3.442 -2.233 1.00 0.00 C ATOM 0 H VAL A 61 3.005 -2.207 -2.021 1.00 0.00 H new ATOM 0 HA VAL A 61 5.443 -0.777 -2.683 1.00 0.00 H new ATOM 0 HB VAL A 61 4.160 -3.296 -3.764 1.00 0.00 H new ATOM 0 HG11 VAL A 61 6.317 -3.799 -4.803 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.553 -2.340 -5.477 1.00 0.00 H new ATOM 0 HG13 VAL A 61 6.906 -2.188 -4.331 1.00 0.00 H new ATOM 0 HG21 VAL A 61 5.975 -4.446 -2.510 1.00 0.00 H new ATOM 0 HG22 VAL A 61 6.512 -2.871 -1.880 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.909 -3.505 -1.440 1.00 0.00 H new ATOM 898 N GLU A 62 2.899 -0.858 -4.763 1.00 0.00 N ATOM 899 CA GLU A 62 2.326 -0.207 -5.907 1.00 0.00 C ATOM 900 C GLU A 62 0.802 -0.320 -5.884 1.00 0.00 C ATOM 901 O GLU A 62 0.253 -1.400 -5.973 1.00 0.00 O ATOM 902 CB GLU A 62 2.901 -0.822 -7.184 1.00 0.00 C ATOM 903 CG GLU A 62 2.353 -0.250 -8.462 1.00 0.00 C ATOM 904 CD GLU A 62 3.014 -0.857 -9.650 1.00 0.00 C ATOM 905 OE1 GLU A 62 2.534 -1.880 -10.150 1.00 0.00 O ATOM 906 OE2 GLU A 62 4.032 -0.330 -10.096 1.00 0.00 O ATOM 0 H GLU A 62 2.307 -1.577 -4.347 1.00 0.00 H new ATOM 0 HA GLU A 62 2.579 0.853 -5.881 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.983 -0.691 -7.178 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.710 -1.895 -7.172 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.278 -0.426 -8.511 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.500 0.830 -8.473 1.00 0.00 H new ATOM 913 N VAL A 63 0.136 0.791 -5.711 1.00 0.00 N ATOM 914 CA VAL A 63 -1.308 0.825 -5.764 1.00 0.00 C ATOM 915 C VAL A 63 -1.775 1.375 -7.082 1.00 0.00 C ATOM 916 O VAL A 63 -1.207 2.343 -7.576 1.00 0.00 O ATOM 917 CB VAL A 63 -1.920 1.595 -4.562 1.00 0.00 C ATOM 918 CG1 VAL A 63 -3.329 2.092 -4.868 1.00 0.00 C ATOM 919 CG2 VAL A 63 -1.975 0.647 -3.402 1.00 0.00 C ATOM 0 H VAL A 63 0.573 1.695 -5.530 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.668 -0.201 -5.683 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.304 2.467 -4.344 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -3.723 2.625 -4.003 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.300 2.764 -5.726 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -3.973 1.242 -5.094 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.401 1.155 -2.537 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.596 -0.210 -3.662 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.968 0.306 -3.163 1.00 0.00 H new ATOM 929 N ASP A 64 -2.716 0.655 -7.706 1.00 0.00 N ATOM 930 CA ASP A 64 -3.395 1.026 -8.995 1.00 0.00 C ATOM 931 C ASP A 64 -2.492 0.869 -10.208 1.00 0.00 C ATOM 932 O ASP A 64 -2.940 0.630 -11.328 1.00 0.00 O ATOM 933 CB ASP A 64 -4.023 2.441 -8.941 1.00 0.00 C ATOM 934 CG ASP A 64 -4.697 2.869 -10.245 1.00 0.00 C ATOM 935 OD1 ASP A 64 -5.892 2.538 -10.464 1.00 0.00 O ATOM 936 OD2 ASP A 64 -4.049 3.549 -11.076 1.00 0.00 O ATOM 0 H ASP A 64 -3.050 -0.233 -7.332 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.208 0.310 -9.115 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.758 2.471 -8.136 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -3.246 3.163 -8.691 1.00 0.00 H new ATOM 941 N GLY A 65 -1.248 0.902 -9.937 1.00 0.00 N ATOM 942 CA GLY A 65 -0.237 0.912 -10.934 1.00 0.00 C ATOM 943 C GLY A 65 0.436 2.266 -10.950 1.00 0.00 C ATOM 944 O GLY A 65 1.204 2.580 -11.846 1.00 0.00 O ATOM 0 H GLY A 65 -0.885 0.924 -8.984 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.496 0.131 -10.732 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.671 0.697 -11.911 1.00 0.00 H new ATOM 948 N ILE A 66 0.158 3.062 -9.904 1.00 0.00 N ATOM 949 CA ILE A 66 0.687 4.415 -9.776 1.00 0.00 C ATOM 950 C ILE A 66 2.194 4.389 -9.502 1.00 0.00 C ATOM 951 O ILE A 66 2.895 5.359 -9.756 1.00 0.00 O ATOM 952 CB ILE A 66 -0.062 5.210 -8.643 1.00 0.00 C ATOM 953 CG1 ILE A 66 -0.017 6.705 -8.958 1.00 0.00 C ATOM 954 CG2 ILE A 66 0.571 4.942 -7.263 1.00 0.00 C ATOM 955 CD1 ILE A 66 -0.817 7.554 -8.011 1.00 0.00 C ATOM 0 H ILE A 66 -0.440 2.779 -9.128 1.00 0.00 H new ATOM 0 HA ILE A 66 0.518 4.928 -10.723 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.098 4.872 -8.608 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.021 7.038 -8.940 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.386 6.863 -9.971 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.033 5.505 -6.500 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.513 3.877 -7.037 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.615 5.254 -7.275 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.734 8.601 -8.302 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.863 7.250 -8.045 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.435 7.428 -6.998 1.00 0.00 H new ATOM 967 N SER A 67 2.671 3.232 -9.032 1.00 0.00 N ATOM 968 CA SER A 67 4.060 3.013 -8.646 1.00 0.00 C ATOM 969 C SER A 67 4.597 4.100 -7.728 1.00 0.00 C ATOM 970 O SER A 67 5.243 5.059 -8.155 1.00 0.00 O ATOM 971 CB SER A 67 4.966 2.729 -9.865 1.00 0.00 C ATOM 972 OG SER A 67 4.742 3.672 -10.918 1.00 0.00 O ATOM 0 H SER A 67 2.085 2.406 -8.908 1.00 0.00 H new ATOM 0 HA SER A 67 4.077 2.104 -8.045 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.011 2.766 -9.559 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.777 1.720 -10.233 1.00 0.00 H new ATOM 0 HG SER A 67 4.646 4.570 -10.538 1.00 0.00 H new ATOM 978 N LEU A 68 4.284 3.963 -6.476 1.00 0.00 N ATOM 979 CA LEU A 68 4.677 4.902 -5.481 1.00 0.00 C ATOM 980 C LEU A 68 5.970 4.438 -4.787 1.00 0.00 C ATOM 981 O LEU A 68 6.252 4.769 -3.637 1.00 0.00 O ATOM 982 CB LEU A 68 3.476 5.192 -4.516 1.00 0.00 C ATOM 983 CG LEU A 68 2.881 4.091 -3.581 1.00 0.00 C ATOM 984 CD1 LEU A 68 2.655 2.749 -4.214 1.00 0.00 C ATOM 985 CD2 LEU A 68 3.542 4.010 -2.218 1.00 0.00 C ATOM 0 H LEU A 68 3.739 3.180 -6.115 1.00 0.00 H new ATOM 0 HA LEU A 68 4.927 5.861 -5.935 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.781 6.018 -3.874 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.656 5.555 -5.135 1.00 0.00 H new ATOM 0 HG LEU A 68 1.872 4.459 -3.396 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.240 2.063 -3.475 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.958 2.852 -5.045 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.603 2.356 -4.582 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.071 3.221 -1.631 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.602 3.787 -2.340 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.429 4.963 -1.702 1.00 0.00 H new ATOM 997 N VAL A 69 6.785 3.722 -5.545 1.00 0.00 N ATOM 998 CA VAL A 69 8.047 3.226 -5.066 1.00 0.00 C ATOM 999 C VAL A 69 9.038 4.373 -4.960 1.00 0.00 C ATOM 1000 O VAL A 69 9.605 4.814 -5.952 1.00 0.00 O ATOM 1001 CB VAL A 69 8.643 2.125 -5.990 1.00 0.00 C ATOM 1002 CG1 VAL A 69 9.943 1.575 -5.411 1.00 0.00 C ATOM 1003 CG2 VAL A 69 7.644 1.003 -6.222 1.00 0.00 C ATOM 0 H VAL A 69 6.581 3.472 -6.513 1.00 0.00 H new ATOM 0 HA VAL A 69 7.867 2.779 -4.088 1.00 0.00 H new ATOM 0 HB VAL A 69 8.864 2.584 -6.954 1.00 0.00 H new ATOM 0 HG11 VAL A 69 10.341 0.807 -6.074 1.00 0.00 H new ATOM 0 HG12 VAL A 69 10.669 2.383 -5.315 1.00 0.00 H new ATOM 0 HG13 VAL A 69 9.750 1.142 -4.430 1.00 0.00 H new ATOM 0 HG21 VAL A 69 8.088 0.249 -6.871 1.00 0.00 H new ATOM 0 HG22 VAL A 69 7.378 0.549 -5.267 1.00 0.00 H new ATOM 0 HG23 VAL A 69 6.748 1.406 -6.694 1.00 0.00 H new ATOM 1013 N GLY A 70 9.163 4.895 -3.783 1.00 0.00 N ATOM 1014 CA GLY A 70 10.117 5.931 -3.529 1.00 0.00 C ATOM 1015 C GLY A 70 9.443 7.240 -3.325 1.00 0.00 C ATOM 1016 O GLY A 70 9.974 8.295 -3.684 1.00 0.00 O ATOM 0 H GLY A 70 8.610 4.618 -2.972 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.705 5.680 -2.646 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.812 6.003 -4.365 1.00 0.00 H new ATOM 1020 N VAL A 71 8.270 7.192 -2.753 1.00 0.00 N ATOM 1021 CA VAL A 71 7.520 8.416 -2.535 1.00 0.00 C ATOM 1022 C VAL A 71 7.463 8.775 -1.071 1.00 0.00 C ATOM 1023 O VAL A 71 7.906 8.011 -0.209 1.00 0.00 O ATOM 1024 CB VAL A 71 6.080 8.390 -3.116 1.00 0.00 C ATOM 1025 CG1 VAL A 71 6.089 8.076 -4.602 1.00 0.00 C ATOM 1026 CG2 VAL A 71 5.178 7.436 -2.345 1.00 0.00 C ATOM 0 H VAL A 71 7.813 6.339 -2.432 1.00 0.00 H new ATOM 0 HA VAL A 71 8.071 9.180 -3.083 1.00 0.00 H new ATOM 0 HB VAL A 71 5.663 9.390 -2.996 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.066 8.065 -4.978 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.662 8.837 -5.131 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.546 7.100 -4.765 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.179 7.446 -2.782 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.587 6.427 -2.397 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.121 7.751 -1.303 1.00 0.00 H new ATOM 1036 N THR A 72 6.907 9.911 -0.804 1.00 0.00 N ATOM 1037 CA THR A 72 6.769 10.413 0.515 1.00 0.00 C ATOM 1038 C THR A 72 5.462 9.993 1.109 1.00 0.00 C ATOM 1039 O THR A 72 4.580 9.446 0.405 1.00 0.00 O ATOM 1040 CB THR A 72 6.829 11.925 0.489 1.00 0.00 C ATOM 1041 OG1 THR A 72 5.926 12.411 -0.527 1.00 0.00 O ATOM 1042 CG2 THR A 72 8.222 12.388 0.195 1.00 0.00 C ATOM 0 H THR A 72 6.527 10.529 -1.521 1.00 0.00 H new ATOM 0 HA THR A 72 7.581 10.012 1.121 1.00 0.00 H new ATOM 0 HB THR A 72 6.536 12.315 1.464 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.071 13.371 -0.662 1.00 0.00 H new ATOM 0 HG21 THR A 72 8.248 13.478 0.180 1.00 0.00 H new ATOM 0 HG22 THR A 72 8.898 12.020 0.966 1.00 0.00 H new ATOM 0 HG23 THR A 72 8.536 12.004 -0.776 1.00 0.00 H new ATOM 1050 N GLN A 73 5.293 10.281 2.385 1.00 0.00 N ATOM 1051 CA GLN A 73 4.069 9.912 3.054 1.00 0.00 C ATOM 1052 C GLN A 73 2.901 10.715 2.487 1.00 0.00 C ATOM 1053 O GLN A 73 1.811 10.215 2.375 1.00 0.00 O ATOM 1054 CB GLN A 73 4.139 10.039 4.611 1.00 0.00 C ATOM 1055 CG GLN A 73 3.745 11.394 5.195 1.00 0.00 C ATOM 1056 CD GLN A 73 4.711 12.496 4.862 1.00 0.00 C ATOM 1057 OE1 GLN A 73 5.953 12.183 4.819 1.00 0.00 O flip ATOM 1058 NE2 GLN A 73 4.326 13.646 4.700 1.00 0.00 N flip ATOM 0 H GLN A 73 5.978 10.762 2.968 1.00 0.00 H new ATOM 0 HA GLN A 73 3.912 8.852 2.857 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.492 9.277 5.046 1.00 0.00 H new ATOM 0 HB3 GLN A 73 5.157 9.812 4.928 1.00 0.00 H new ATOM 0 HG2 GLN A 73 2.756 11.665 4.826 1.00 0.00 H new ATOM 0 HG3 GLN A 73 3.668 11.305 6.279 1.00 0.00 H new ATOM 0 HE21 GLN A 73 3.330 13.861 4.741 1.00 0.00 H new ATOM 0 HE22 GLN A 73 5.001 14.390 4.524 1.00 0.00 H new ATOM 1067 N ASN A 74 3.167 11.947 2.060 1.00 0.00 N ATOM 1068 CA ASN A 74 2.106 12.799 1.537 1.00 0.00 C ATOM 1069 C ASN A 74 1.640 12.308 0.181 1.00 0.00 C ATOM 1070 O ASN A 74 0.459 12.421 -0.152 1.00 0.00 O ATOM 1071 CB ASN A 74 2.496 14.295 1.491 1.00 0.00 C ATOM 1072 CG ASN A 74 3.701 14.594 0.617 1.00 0.00 C ATOM 1073 OD1 ASN A 74 3.575 14.781 -0.591 1.00 0.00 O ATOM 1074 ND2 ASN A 74 4.861 14.698 1.218 1.00 0.00 N ATOM 0 H ASN A 74 4.094 12.372 2.066 1.00 0.00 H new ATOM 0 HA ASN A 74 1.274 12.726 2.237 1.00 0.00 H new ATOM 0 HB2 ASN A 74 1.645 14.870 1.127 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.702 14.637 2.505 1.00 0.00 H new ATOM 0 HD21 ASN A 74 5.694 14.941 0.681 1.00 0.00 H new ATOM 0 HD22 ASN A 74 4.931 14.536 2.223 1.00 0.00 H new ATOM 1081 N PHE A 75 2.553 11.717 -0.586 1.00 0.00 N ATOM 1082 CA PHE A 75 2.196 11.167 -1.871 1.00 0.00 C ATOM 1083 C PHE A 75 1.340 9.931 -1.644 1.00 0.00 C ATOM 1084 O PHE A 75 0.237 9.803 -2.190 1.00 0.00 O ATOM 1085 CB PHE A 75 3.442 10.781 -2.681 1.00 0.00 C ATOM 1086 CG PHE A 75 3.151 10.382 -4.121 1.00 0.00 C ATOM 1087 CD1 PHE A 75 2.617 9.129 -4.438 1.00 0.00 C ATOM 1088 CD2 PHE A 75 3.403 11.264 -5.151 1.00 0.00 C ATOM 1089 CE1 PHE A 75 2.347 8.784 -5.744 1.00 0.00 C ATOM 1090 CE2 PHE A 75 3.134 10.919 -6.457 1.00 0.00 C ATOM 1091 CZ PHE A 75 2.605 9.679 -6.750 1.00 0.00 C ATOM 0 H PHE A 75 3.536 11.612 -0.334 1.00 0.00 H new ATOM 0 HA PHE A 75 1.649 11.921 -2.437 1.00 0.00 H new ATOM 0 HB2 PHE A 75 4.136 11.622 -2.682 1.00 0.00 H new ATOM 0 HB3 PHE A 75 3.945 9.953 -2.181 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.413 8.422 -3.648 1.00 0.00 H new ATOM 0 HD2 PHE A 75 3.816 12.237 -4.931 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.934 7.813 -5.974 1.00 0.00 H new ATOM 0 HE2 PHE A 75 3.337 11.620 -7.253 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.393 9.412 -7.775 1.00 0.00 H new ATOM 1101 N ALA A 76 1.846 9.037 -0.815 1.00 0.00 N ATOM 1102 CA ALA A 76 1.175 7.791 -0.526 1.00 0.00 C ATOM 1103 C ALA A 76 -0.181 8.012 0.145 1.00 0.00 C ATOM 1104 O ALA A 76 -1.164 7.395 -0.239 1.00 0.00 O ATOM 1105 CB ALA A 76 2.050 6.905 0.309 1.00 0.00 C ATOM 0 H ALA A 76 2.733 9.157 -0.325 1.00 0.00 H new ATOM 0 HA ALA A 76 0.982 7.294 -1.477 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.529 5.971 0.517 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.973 6.693 -0.230 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.285 7.406 1.248 1.00 0.00 H new ATOM 1111 N ALA A 77 -0.242 8.949 1.094 1.00 0.00 N ATOM 1112 CA ALA A 77 -1.494 9.271 1.806 1.00 0.00 C ATOM 1113 C ALA A 77 -2.516 9.883 0.865 1.00 0.00 C ATOM 1114 O ALA A 77 -3.670 10.069 1.218 1.00 0.00 O ATOM 1115 CB ALA A 77 -1.236 10.210 2.972 1.00 0.00 C ATOM 0 H ALA A 77 0.561 9.503 1.392 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.896 8.336 2.196 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.176 10.429 3.477 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.548 9.738 3.674 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.798 11.137 2.602 1.00 0.00 H new ATOM 1121 N THR A 78 -2.077 10.235 -0.308 1.00 0.00 N ATOM 1122 CA THR A 78 -2.945 10.713 -1.318 1.00 0.00 C ATOM 1123 C THR A 78 -3.461 9.535 -2.165 1.00 0.00 C ATOM 1124 O THR A 78 -4.665 9.415 -2.372 1.00 0.00 O ATOM 1125 CB THR A 78 -2.238 11.784 -2.171 1.00 0.00 C ATOM 1126 OG1 THR A 78 -1.930 12.929 -1.347 1.00 0.00 O ATOM 1127 CG2 THR A 78 -3.064 12.208 -3.369 1.00 0.00 C ATOM 0 H THR A 78 -1.096 10.194 -0.583 1.00 0.00 H new ATOM 0 HA THR A 78 -3.811 11.192 -0.860 1.00 0.00 H new ATOM 0 HB THR A 78 -1.319 11.345 -2.559 1.00 0.00 H new ATOM 0 HG1 THR A 78 -1.031 12.829 -0.970 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.521 12.964 -3.936 1.00 0.00 H new ATOM 0 HG22 THR A 78 -3.253 11.343 -4.005 1.00 0.00 H new ATOM 0 HG23 THR A 78 -4.013 12.622 -3.028 1.00 0.00 H new ATOM 1135 N VAL A 79 -2.562 8.645 -2.588 1.00 0.00 N ATOM 1136 CA VAL A 79 -2.944 7.472 -3.398 1.00 0.00 C ATOM 1137 C VAL A 79 -3.894 6.581 -2.610 1.00 0.00 C ATOM 1138 O VAL A 79 -5.001 6.326 -3.039 1.00 0.00 O ATOM 1139 CB VAL A 79 -1.721 6.616 -3.817 1.00 0.00 C ATOM 1140 CG1 VAL A 79 -2.138 5.500 -4.775 1.00 0.00 C ATOM 1141 CG2 VAL A 79 -0.646 7.484 -4.423 1.00 0.00 C ATOM 0 H VAL A 79 -1.564 8.708 -2.387 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.423 7.859 -4.298 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.309 6.147 -2.923 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.262 4.914 -5.054 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -2.866 4.854 -4.285 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.583 5.936 -5.670 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.203 6.864 -4.710 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -1.041 7.990 -5.304 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.323 8.226 -3.693 1.00 0.00 H new ATOM 1151 N LEU A 80 -3.464 6.191 -1.413 1.00 0.00 N ATOM 1152 CA LEU A 80 -4.235 5.305 -0.515 1.00 0.00 C ATOM 1153 C LEU A 80 -5.504 5.981 0.043 1.00 0.00 C ATOM 1154 O LEU A 80 -6.236 5.404 0.849 1.00 0.00 O ATOM 1155 CB LEU A 80 -3.359 4.772 0.646 1.00 0.00 C ATOM 1156 CG LEU A 80 -2.240 3.748 0.310 1.00 0.00 C ATOM 1157 CD1 LEU A 80 -2.793 2.559 -0.438 1.00 0.00 C ATOM 1158 CD2 LEU A 80 -1.096 4.369 -0.463 1.00 0.00 C ATOM 0 H LEU A 80 -2.565 6.478 -1.027 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.556 4.462 -1.127 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.892 5.629 1.131 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.022 4.313 1.380 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.840 3.407 1.265 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.986 1.861 -0.659 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.546 2.062 0.174 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.247 2.895 -1.370 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.343 3.609 -0.671 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.470 4.776 -1.402 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.650 5.170 0.127 1.00 0.00 H new ATOM 1170 N ARG A 81 -5.721 7.204 -0.350 1.00 0.00 N ATOM 1171 CA ARG A 81 -6.916 7.918 -0.008 1.00 0.00 C ATOM 1172 C ARG A 81 -7.828 7.958 -1.230 1.00 0.00 C ATOM 1173 O ARG A 81 -9.012 7.654 -1.162 1.00 0.00 O ATOM 1174 CB ARG A 81 -6.556 9.336 0.351 1.00 0.00 C ATOM 1175 CG ARG A 81 -7.739 10.202 0.641 1.00 0.00 C ATOM 1176 CD ARG A 81 -7.357 11.647 0.591 1.00 0.00 C ATOM 1177 NE ARG A 81 -8.507 12.495 0.883 1.00 0.00 N ATOM 1178 CZ ARG A 81 -8.511 13.822 0.843 1.00 0.00 C ATOM 1179 NH1 ARG A 81 -7.393 14.489 0.563 1.00 0.00 N ATOM 1180 NH2 ARG A 81 -9.635 14.480 1.076 1.00 0.00 N ATOM 0 H ARG A 81 -5.067 7.738 -0.922 1.00 0.00 H new ATOM 0 HA ARG A 81 -7.412 7.427 0.829 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -5.902 9.326 1.223 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -5.987 9.776 -0.469 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -8.528 10.003 -0.084 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -8.141 9.960 1.625 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -6.562 11.843 1.311 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -6.961 11.890 -0.395 1.00 0.00 H new ATOM 0 HE ARG A 81 -9.379 12.031 1.139 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -6.528 13.980 0.378 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -7.401 15.509 0.533 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -10.492 13.968 1.285 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -9.645 15.500 1.047 1.00 0.00 H new ATOM 1194 N ASN A 82 -7.215 8.281 -2.361 1.00 0.00 N ATOM 1195 CA ASN A 82 -7.899 8.515 -3.637 1.00 0.00 C ATOM 1196 C ASN A 82 -8.244 7.241 -4.367 1.00 0.00 C ATOM 1197 O ASN A 82 -8.668 7.255 -5.528 1.00 0.00 O ATOM 1198 CB ASN A 82 -7.058 9.422 -4.514 1.00 0.00 C ATOM 1199 CG ASN A 82 -7.272 10.873 -4.177 1.00 0.00 C ATOM 1200 OD1 ASN A 82 -8.137 11.543 -4.747 1.00 0.00 O ATOM 1201 ND2 ASN A 82 -6.520 11.374 -3.248 1.00 0.00 N ATOM 0 H ASN A 82 -6.203 8.392 -2.424 1.00 0.00 H new ATOM 0 HA ASN A 82 -8.847 9.001 -3.407 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -6.004 9.171 -4.393 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -7.308 9.250 -5.561 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -6.635 12.348 -2.969 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -5.813 10.794 -2.796 1.00 0.00 H new ATOM 1208 N THR A 83 -8.023 6.162 -3.696 1.00 0.00 N ATOM 1209 CA THR A 83 -8.363 4.842 -4.134 1.00 0.00 C ATOM 1210 C THR A 83 -9.867 4.700 -4.361 1.00 0.00 C ATOM 1211 O THR A 83 -10.680 5.419 -3.747 1.00 0.00 O ATOM 1212 CB THR A 83 -7.945 3.887 -3.045 1.00 0.00 C ATOM 1213 OG1 THR A 83 -8.214 4.539 -1.797 1.00 0.00 O ATOM 1214 CG2 THR A 83 -6.470 3.540 -3.140 1.00 0.00 C ATOM 0 H THR A 83 -7.577 6.173 -2.779 1.00 0.00 H new ATOM 0 HA THR A 83 -7.859 4.632 -5.078 1.00 0.00 H new ATOM 0 HB THR A 83 -8.496 2.951 -3.138 1.00 0.00 H new ATOM 0 HG1 THR A 83 -9.183 4.600 -1.662 1.00 0.00 H new ATOM 0 HG21 THR A 83 -6.206 2.850 -2.339 1.00 0.00 H new ATOM 0 HG22 THR A 83 -6.268 3.072 -4.103 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.876 4.449 -3.046 1.00 0.00 H new ATOM 1222 N LYS A 84 -10.219 3.784 -5.217 1.00 0.00 N ATOM 1223 CA LYS A 84 -11.594 3.502 -5.533 1.00 0.00 C ATOM 1224 C LYS A 84 -11.978 2.135 -5.007 1.00 0.00 C ATOM 1225 O LYS A 84 -11.296 1.599 -4.146 1.00 0.00 O ATOM 1226 CB LYS A 84 -11.819 3.620 -7.050 1.00 0.00 C ATOM 1227 CG LYS A 84 -11.769 5.054 -7.550 1.00 0.00 C ATOM 1228 CD LYS A 84 -12.938 5.839 -6.983 1.00 0.00 C ATOM 1229 CE LYS A 84 -12.884 7.316 -7.332 1.00 0.00 C ATOM 1230 NZ LYS A 84 -12.848 7.571 -8.788 1.00 0.00 N ATOM 0 H LYS A 84 -9.551 3.203 -5.723 1.00 0.00 H new ATOM 0 HA LYS A 84 -12.239 4.233 -5.046 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -11.062 3.033 -7.570 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -12.787 3.187 -7.303 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -10.829 5.519 -7.253 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -11.803 5.070 -8.639 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -13.870 5.416 -7.359 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -12.952 5.727 -5.899 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -13.753 7.816 -6.904 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -12.002 7.760 -6.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -12.863 8.596 -8.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -11.979 7.165 -9.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -13.676 7.132 -9.238 1.00 0.00 H new ATOM 1244 N GLY A 85 -13.095 1.618 -5.482 1.00 0.00 N ATOM 1245 CA GLY A 85 -13.573 0.321 -5.083 1.00 0.00 C ATOM 1246 C GLY A 85 -12.588 -0.777 -5.366 1.00 0.00 C ATOM 1247 O GLY A 85 -12.030 -1.362 -4.451 1.00 0.00 O ATOM 0 H GLY A 85 -13.694 2.093 -6.158 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -13.798 0.334 -4.017 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -14.507 0.108 -5.603 1.00 0.00 H new ATOM 1251 N ASN A 86 -12.351 -1.053 -6.611 1.00 0.00 N ATOM 1252 CA ASN A 86 -11.416 -2.109 -6.947 1.00 0.00 C ATOM 1253 C ASN A 86 -10.010 -1.537 -6.881 1.00 0.00 C ATOM 1254 O ASN A 86 -9.684 -0.601 -7.620 1.00 0.00 O ATOM 1255 CB ASN A 86 -11.664 -2.676 -8.353 1.00 0.00 C ATOM 1256 CG ASN A 86 -13.057 -3.196 -8.558 1.00 0.00 C ATOM 1257 OD1 ASN A 86 -13.944 -2.459 -8.991 1.00 0.00 O ATOM 1258 ND2 ASN A 86 -13.262 -4.454 -8.283 1.00 0.00 N ATOM 0 H ASN A 86 -12.778 -0.578 -7.406 1.00 0.00 H new ATOM 0 HA ASN A 86 -11.548 -2.925 -6.237 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -11.465 -1.897 -9.089 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -10.954 -3.481 -8.541 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -14.186 -4.863 -8.425 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -12.499 -5.029 -7.926 1.00 0.00 H new ATOM 1265 N VAL A 87 -9.194 -2.045 -5.993 1.00 0.00 N ATOM 1266 CA VAL A 87 -7.848 -1.517 -5.823 1.00 0.00 C ATOM 1267 C VAL A 87 -6.833 -2.613 -5.965 1.00 0.00 C ATOM 1268 O VAL A 87 -6.942 -3.629 -5.313 1.00 0.00 O ATOM 1269 CB VAL A 87 -7.620 -0.920 -4.421 1.00 0.00 C ATOM 1270 CG1 VAL A 87 -6.403 -0.018 -4.402 1.00 0.00 C ATOM 1271 CG2 VAL A 87 -8.839 -0.240 -3.875 1.00 0.00 C ATOM 0 H VAL A 87 -9.429 -2.821 -5.374 1.00 0.00 H new ATOM 0 HA VAL A 87 -7.739 -0.746 -6.586 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.421 -1.754 -3.749 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -6.267 0.389 -3.400 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -5.520 -0.592 -4.683 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.545 0.799 -5.109 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -8.619 0.161 -2.886 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -9.131 0.573 -4.540 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.655 -0.959 -3.802 1.00 0.00 H new ATOM 1281 N ARG A 88 -5.870 -2.410 -6.803 1.00 0.00 N ATOM 1282 CA ARG A 88 -4.757 -3.314 -6.907 1.00 0.00 C ATOM 1283 C ARG A 88 -3.648 -2.875 -5.999 1.00 0.00 C ATOM 1284 O ARG A 88 -2.964 -1.877 -6.267 1.00 0.00 O ATOM 1285 CB ARG A 88 -4.243 -3.388 -8.314 1.00 0.00 C ATOM 1286 CG ARG A 88 -5.094 -4.212 -9.234 1.00 0.00 C ATOM 1287 CD ARG A 88 -4.633 -4.026 -10.644 1.00 0.00 C ATOM 1288 NE ARG A 88 -3.207 -4.375 -10.831 1.00 0.00 N ATOM 1289 CZ ARG A 88 -2.270 -3.553 -11.346 1.00 0.00 C ATOM 1290 NH1 ARG A 88 -2.610 -2.353 -11.809 1.00 0.00 N ATOM 1291 NH2 ARG A 88 -1.000 -3.955 -11.421 1.00 0.00 N ATOM 0 H ARG A 88 -5.827 -1.613 -7.439 1.00 0.00 H new ATOM 0 HA ARG A 88 -5.107 -4.303 -6.612 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -4.166 -2.377 -8.715 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -3.235 -3.803 -8.300 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -5.034 -5.264 -8.957 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -6.139 -3.917 -9.141 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -5.243 -4.642 -11.305 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -4.790 -2.989 -10.939 1.00 0.00 H new ATOM 0 HE ARG A 88 -2.910 -5.309 -10.549 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -3.584 -2.051 -11.776 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -1.897 -1.735 -12.197 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -0.738 -4.883 -11.089 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -0.291 -3.334 -11.810 1.00 0.00 H new ATOM 1305 N PHE A 89 -3.513 -3.569 -4.915 1.00 0.00 N ATOM 1306 CA PHE A 89 -2.448 -3.349 -3.992 1.00 0.00 C ATOM 1307 C PHE A 89 -1.365 -4.307 -4.310 1.00 0.00 C ATOM 1308 O PHE A 89 -1.492 -5.489 -4.039 1.00 0.00 O ATOM 1309 CB PHE A 89 -2.873 -3.617 -2.551 1.00 0.00 C ATOM 1310 CG PHE A 89 -3.949 -2.752 -2.040 1.00 0.00 C ATOM 1311 CD1 PHE A 89 -3.643 -1.549 -1.468 1.00 0.00 C ATOM 1312 CD2 PHE A 89 -5.266 -3.144 -2.115 1.00 0.00 C ATOM 1313 CE1 PHE A 89 -4.623 -0.740 -0.987 1.00 0.00 C ATOM 1314 CE2 PHE A 89 -6.254 -2.333 -1.628 1.00 0.00 C ATOM 1315 CZ PHE A 89 -5.935 -1.136 -1.066 1.00 0.00 C ATOM 0 H PHE A 89 -4.151 -4.317 -4.642 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.135 -2.309 -4.080 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.196 -4.655 -2.472 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.002 -3.504 -1.906 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.611 -1.238 -1.398 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.520 -4.095 -2.560 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.370 0.212 -0.544 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -7.287 -2.643 -1.690 1.00 0.00 H new ATOM 0 HZ PHE A 89 -6.715 -0.496 -0.681 1.00 0.00 H new ATOM 1325 N VAL A 90 -0.346 -3.855 -4.916 1.00 0.00 N ATOM 1326 CA VAL A 90 0.760 -4.699 -5.142 1.00 0.00 C ATOM 1327 C VAL A 90 1.660 -4.466 -3.978 1.00 0.00 C ATOM 1328 O VAL A 90 2.335 -3.471 -3.908 1.00 0.00 O ATOM 1329 CB VAL A 90 1.492 -4.393 -6.467 1.00 0.00 C ATOM 1330 CG1 VAL A 90 2.634 -5.383 -6.695 1.00 0.00 C ATOM 1331 CG2 VAL A 90 0.520 -4.418 -7.634 1.00 0.00 C ATOM 0 H VAL A 90 -0.249 -2.903 -5.268 1.00 0.00 H new ATOM 0 HA VAL A 90 0.440 -5.737 -5.233 1.00 0.00 H new ATOM 0 HB VAL A 90 1.918 -3.392 -6.398 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.136 -5.149 -7.634 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.347 -5.311 -5.874 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.234 -6.396 -6.740 1.00 0.00 H new ATOM 0 HG21 VAL A 90 1.055 -4.200 -8.558 1.00 0.00 H new ATOM 0 HG22 VAL A 90 0.061 -5.404 -7.704 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.255 -3.668 -7.478 1.00 0.00 H new ATOM 1341 N ILE A 91 1.472 -5.252 -2.992 1.00 0.00 N ATOM 1342 CA ILE A 91 2.242 -5.217 -1.797 1.00 0.00 C ATOM 1343 C ILE A 91 3.145 -6.420 -1.758 1.00 0.00 C ATOM 1344 O ILE A 91 2.889 -7.399 -2.420 1.00 0.00 O ATOM 1345 CB ILE A 91 1.258 -5.218 -0.611 1.00 0.00 C ATOM 1346 CG1 ILE A 91 0.522 -3.898 -0.579 1.00 0.00 C ATOM 1347 CG2 ILE A 91 1.898 -5.545 0.739 1.00 0.00 C ATOM 1348 CD1 ILE A 91 -0.518 -3.838 0.448 1.00 0.00 C ATOM 0 H ILE A 91 0.749 -5.971 -2.987 1.00 0.00 H new ATOM 0 HA ILE A 91 2.868 -4.326 -1.749 1.00 0.00 H new ATOM 0 HB ILE A 91 0.554 -6.033 -0.777 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.239 -3.095 -0.407 1.00 0.00 H new ATOM 0 HG13 ILE A 91 0.070 -3.719 -1.554 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.136 -5.524 1.518 1.00 0.00 H new ATOM 0 HG22 ILE A 91 2.347 -6.537 0.698 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.668 -4.807 0.965 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.006 -2.864 0.415 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.255 -4.620 0.265 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -0.069 -3.986 1.430 1.00 0.00 H new ATOM 1360 N GLY A 92 4.198 -6.337 -1.027 1.00 0.00 N ATOM 1361 CA GLY A 92 5.043 -7.444 -0.913 1.00 0.00 C ATOM 1362 C GLY A 92 5.381 -7.717 0.515 1.00 0.00 C ATOM 1363 O GLY A 92 5.559 -6.790 1.305 1.00 0.00 O ATOM 0 H GLY A 92 4.485 -5.510 -0.504 1.00 0.00 H new ATOM 0 HA2 GLY A 92 4.562 -8.319 -1.350 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.958 -7.267 -1.479 1.00 0.00 H new ATOM 1367 N ARG A 93 5.483 -8.964 0.832 1.00 0.00 N ATOM 1368 CA ARG A 93 5.779 -9.424 2.154 1.00 0.00 C ATOM 1369 C ARG A 93 7.183 -9.960 2.155 1.00 0.00 C ATOM 1370 O ARG A 93 7.536 -10.759 1.291 1.00 0.00 O ATOM 1371 CB ARG A 93 4.725 -10.493 2.561 1.00 0.00 C ATOM 1372 CG ARG A 93 4.930 -11.172 3.916 1.00 0.00 C ATOM 1373 CD ARG A 93 5.951 -12.298 3.841 1.00 0.00 C ATOM 1374 NE ARG A 93 5.481 -13.423 3.018 1.00 0.00 N ATOM 1375 CZ ARG A 93 6.255 -14.190 2.213 1.00 0.00 C ATOM 1376 NH1 ARG A 93 7.562 -13.953 2.083 1.00 0.00 N ATOM 1377 NH2 ARG A 93 5.710 -15.202 1.552 1.00 0.00 N ATOM 0 H ARG A 93 5.359 -9.719 0.158 1.00 0.00 H new ATOM 0 HA ARG A 93 5.724 -8.621 2.889 1.00 0.00 H new ATOM 0 HB2 ARG A 93 3.743 -10.021 2.561 1.00 0.00 H new ATOM 0 HB3 ARG A 93 4.707 -11.265 1.792 1.00 0.00 H new ATOM 0 HG2 ARG A 93 5.259 -10.432 4.646 1.00 0.00 H new ATOM 0 HG3 ARG A 93 3.979 -11.568 4.270 1.00 0.00 H new ATOM 0 HD2 ARG A 93 6.883 -11.913 3.428 1.00 0.00 H new ATOM 0 HD3 ARG A 93 6.171 -12.654 4.848 1.00 0.00 H new ATOM 0 HE ARG A 93 4.486 -13.645 3.057 1.00 0.00 H new ATOM 0 HH11 ARG A 93 7.994 -13.184 2.595 1.00 0.00 H new ATOM 0 HH12 ARG A 93 8.129 -14.541 1.472 1.00 0.00 H new ATOM 0 HH21 ARG A 93 4.714 -15.399 1.651 1.00 0.00 H new ATOM 0 HH22 ARG A 93 6.287 -15.784 0.944 1.00 0.00 H new ATOM 1391 N GLU A 94 7.987 -9.499 3.082 1.00 0.00 N ATOM 1392 CA GLU A 94 9.344 -9.961 3.187 1.00 0.00 C ATOM 1393 C GLU A 94 9.395 -11.315 3.903 1.00 0.00 C ATOM 1394 O GLU A 94 9.496 -11.367 5.130 1.00 0.00 O ATOM 1395 CB GLU A 94 10.264 -8.900 3.842 1.00 0.00 C ATOM 1396 CG GLU A 94 9.815 -8.377 5.205 1.00 0.00 C ATOM 1397 CD GLU A 94 10.875 -7.519 5.851 1.00 0.00 C ATOM 1398 OE1 GLU A 94 11.788 -8.069 6.495 1.00 0.00 O ATOM 1399 OE2 GLU A 94 10.832 -6.279 5.724 1.00 0.00 O ATOM 0 H GLU A 94 7.721 -8.801 3.776 1.00 0.00 H new ATOM 0 HA GLU A 94 9.735 -10.112 2.181 1.00 0.00 H new ATOM 0 HB2 GLU A 94 11.261 -9.328 3.949 1.00 0.00 H new ATOM 0 HB3 GLU A 94 10.352 -8.054 3.161 1.00 0.00 H new ATOM 0 HG2 GLU A 94 8.899 -7.798 5.089 1.00 0.00 H new ATOM 0 HG3 GLU A 94 9.580 -9.218 5.858 1.00 0.00 H new TER 1406 GLU A 94