USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 820 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 5 ASN : amide:sc= 0 X(o=-5,f=-5.2) USER MOD Set 1.2: A 8 LYS NZ :NH3+ -171:sc= -5! (180deg=-5.12!) USER MOD Set 2.1: A 3 GLN : amide:sc= -0.768 K(o=-0.77,f=-3.5!) USER MOD Set 2.2: A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 158:sc= -0.563 (180deg=-1.58!) USER MOD Single : A 9 SER OG : rot 18:sc= -0.954! USER MOD Single : A 12 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.24) USER MOD Single : A 13 LYS NZ :NH3+ -155:sc= -0.0585 (180deg=-0.34) USER MOD Single : A 14 HIS : no HD1:sc= -3.23! C(o=-3.2!,f=-5.9!) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HE2:sc= -2.3 K(o=-2.3,f=-3.5!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.0133 X(o=-0.013,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.19 X(o=-0.19,f=-0.53) USER MOD Single : A 37 ASN : amide:sc= -0.0288 K(o=-0.029,f=-0.93) USER MOD Single : A 45 ASN : amide:sc= -4.81! C(o=-4.8!,f=-5!) USER MOD Single : A 50 ASN : amide:sc= -0.0266 X(o=-0.027,f=-0.47) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.282 X(o=-0.28,f=-0.46) USER MOD Single : A 55 ASN : amide:sc= -1.18 X(o=-1.2,f=-1.5!) USER MOD Single : A 56 SER OG : rot 36:sc= -0.142! USER MOD Single : A 60 HIS : no HD1:sc= -0.804 K(o=-0.8,f=-2.3!) USER MOD Single : A 64 SER OG : rot 85:sc= 0.00236 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc=-0.00413 K(o=-0.0041,f=-0.66) USER MOD Single : A 76 ASN :FLIP amide:sc= 0.0935 F(o=-2!,f=0.093) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 ASN : amide:sc= -1.02 K(o=-1,f=-3!) USER MOD Single : A 86 LYS NZ :NH3+ -170:sc= 0.421 (180deg=-0.0644) USER MOD Single : A 90 ASN : amide:sc= -0.0326 X(o=-0.033,f=-0.033) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 98 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 99 SER OG : rot 180:sc= -0.29 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.717 14.850 -6.268 1.00 0.00 N ATOM 2 CA MET A 1 -10.035 14.600 -4.966 1.00 0.00 C ATOM 3 C MET A 1 -10.458 13.238 -4.426 1.00 0.00 C ATOM 4 O MET A 1 -10.223 12.922 -3.260 1.00 0.00 O ATOM 5 CB MET A 1 -10.419 15.700 -3.973 1.00 0.00 C ATOM 6 CG MET A 1 -11.939 15.716 -3.789 1.00 0.00 C ATOM 7 SD MET A 1 -12.438 17.290 -3.048 1.00 0.00 S ATOM 8 CE MET A 1 -12.190 16.817 -1.319 1.00 0.00 C ATOM 0 H1 MET A 1 -10.743 15.873 -6.456 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.196 14.371 -7.030 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.689 14.481 -6.227 1.00 0.00 H new ATOM 0 HA MET A 1 -8.954 14.608 -5.108 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.928 15.527 -3.015 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.076 16.669 -4.337 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.434 15.581 -4.751 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.248 14.887 -3.152 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.444 17.657 -0.672 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.830 15.968 -1.079 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.147 16.541 -1.163 1.00 0.00 H new ATOM 18 N GLU A 2 -11.085 12.437 -5.282 1.00 0.00 N ATOM 19 CA GLU A 2 -11.539 11.110 -4.879 1.00 0.00 C ATOM 20 C GLU A 2 -10.400 10.099 -4.982 1.00 0.00 C ATOM 21 O GLU A 2 -10.419 9.064 -4.323 1.00 0.00 O ATOM 22 CB GLU A 2 -12.702 10.664 -5.770 1.00 0.00 C ATOM 23 CG GLU A 2 -13.883 11.618 -5.583 1.00 0.00 C ATOM 24 CD GLU A 2 -15.125 11.048 -6.260 1.00 0.00 C ATOM 25 OE1 GLU A 2 -14.970 10.183 -7.107 1.00 0.00 O ATOM 26 OE2 GLU A 2 -16.213 11.484 -5.919 1.00 0.00 O ATOM 0 H GLU A 2 -11.289 12.681 -6.251 1.00 0.00 H new ATOM 0 HA GLU A 2 -11.873 11.159 -3.842 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -12.391 10.654 -6.815 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -12.999 9.646 -5.516 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -14.075 11.769 -4.521 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -13.644 12.594 -6.006 1.00 0.00 H new ATOM 33 N GLN A 3 -9.414 10.410 -5.820 1.00 0.00 N ATOM 34 CA GLN A 3 -8.271 9.524 -6.013 1.00 0.00 C ATOM 35 C GLN A 3 -7.796 8.943 -4.688 1.00 0.00 C ATOM 36 O GLN A 3 -8.075 7.788 -4.369 1.00 0.00 O ATOM 37 CB GLN A 3 -7.125 10.300 -6.671 1.00 0.00 C ATOM 38 CG GLN A 3 -6.099 9.319 -7.244 1.00 0.00 C ATOM 39 CD GLN A 3 -6.598 8.760 -8.573 1.00 0.00 C ATOM 40 OE1 GLN A 3 -7.709 9.073 -9.000 1.00 0.00 O ATOM 41 NE2 GLN A 3 -5.837 7.947 -9.254 1.00 0.00 N ATOM 0 H GLN A 3 -9.384 11.266 -6.374 1.00 0.00 H new ATOM 0 HA GLN A 3 -8.582 8.701 -6.657 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -7.514 10.939 -7.464 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -6.649 10.953 -5.940 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -5.143 9.822 -7.388 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -5.928 8.505 -6.539 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -4.917 7.690 -8.897 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -6.162 7.569 -10.144 1.00 0.00 H new ATOM 50 N PHE A 4 -7.085 9.752 -3.916 1.00 0.00 N ATOM 51 CA PHE A 4 -6.583 9.307 -2.624 1.00 0.00 C ATOM 52 C PHE A 4 -7.670 8.545 -1.879 1.00 0.00 C ATOM 53 O PHE A 4 -7.432 7.457 -1.361 1.00 0.00 O ATOM 54 CB PHE A 4 -6.135 10.512 -1.788 1.00 0.00 C ATOM 55 CG PHE A 4 -5.594 11.589 -2.699 1.00 0.00 C ATOM 56 CD1 PHE A 4 -5.942 12.928 -2.480 1.00 0.00 C ATOM 57 CD2 PHE A 4 -4.747 11.251 -3.760 1.00 0.00 C ATOM 58 CE1 PHE A 4 -5.443 13.927 -3.323 1.00 0.00 C ATOM 59 CE2 PHE A 4 -4.248 12.251 -4.604 1.00 0.00 C ATOM 60 CZ PHE A 4 -4.596 13.589 -4.385 1.00 0.00 C ATOM 0 H PHE A 4 -6.844 10.713 -4.159 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.729 8.649 -2.788 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -6.974 10.899 -1.210 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -5.370 10.208 -1.074 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.595 13.189 -1.661 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -4.478 10.219 -3.928 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -5.711 14.959 -3.154 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -3.595 11.990 -5.424 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.211 14.361 -5.035 1.00 0.00 H new ATOM 70 N ASN A 5 -8.862 9.123 -1.835 1.00 0.00 N ATOM 71 CA ASN A 5 -9.979 8.487 -1.151 1.00 0.00 C ATOM 72 C ASN A 5 -10.347 7.166 -1.827 1.00 0.00 C ATOM 73 O ASN A 5 -10.943 6.290 -1.203 1.00 0.00 O ATOM 74 CB ASN A 5 -11.191 9.421 -1.153 1.00 0.00 C ATOM 75 CG ASN A 5 -12.263 8.887 -0.208 1.00 0.00 C ATOM 76 OD1 ASN A 5 -11.996 8.669 0.974 1.00 0.00 O ATOM 77 ND2 ASN A 5 -13.465 8.661 -0.661 1.00 0.00 N ATOM 0 H ASN A 5 -9.080 10.024 -2.261 1.00 0.00 H new ATOM 0 HA ASN A 5 -9.680 8.281 -0.123 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -10.889 10.422 -0.845 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -11.594 9.505 -2.162 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -14.187 8.303 -0.036 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -13.683 8.843 -1.641 1.00 0.00 H new ATOM 84 N ALA A 6 -9.992 7.029 -3.105 1.00 0.00 N ATOM 85 CA ALA A 6 -10.299 5.806 -3.841 1.00 0.00 C ATOM 86 C ALA A 6 -9.254 4.732 -3.558 1.00 0.00 C ATOM 87 O ALA A 6 -9.565 3.685 -2.989 1.00 0.00 O ATOM 88 CB ALA A 6 -10.347 6.094 -5.344 1.00 0.00 C ATOM 0 H ALA A 6 -9.498 7.740 -3.645 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.273 5.444 -3.512 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -10.577 5.175 -5.883 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -11.118 6.837 -5.548 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.380 6.475 -5.672 1.00 0.00 H new ATOM 94 N PHE A 7 -8.014 5.000 -3.952 1.00 0.00 N ATOM 95 CA PHE A 7 -6.933 4.049 -3.728 1.00 0.00 C ATOM 96 C PHE A 7 -6.852 3.704 -2.243 1.00 0.00 C ATOM 97 O PHE A 7 -6.664 2.546 -1.870 1.00 0.00 O ATOM 98 CB PHE A 7 -5.603 4.649 -4.221 1.00 0.00 C ATOM 99 CG PHE A 7 -4.493 4.373 -3.229 1.00 0.00 C ATOM 100 CD1 PHE A 7 -4.153 3.053 -2.909 1.00 0.00 C ATOM 101 CD2 PHE A 7 -3.806 5.438 -2.632 1.00 0.00 C ATOM 102 CE1 PHE A 7 -3.127 2.799 -1.992 1.00 0.00 C ATOM 103 CE2 PHE A 7 -2.780 5.182 -1.715 1.00 0.00 C ATOM 104 CZ PHE A 7 -2.440 3.862 -1.395 1.00 0.00 C ATOM 0 H PHE A 7 -7.734 5.860 -4.424 1.00 0.00 H new ATOM 0 HA PHE A 7 -7.129 3.134 -4.287 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -5.344 4.225 -5.191 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -5.713 5.724 -4.362 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.682 2.232 -3.369 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -4.068 6.456 -2.879 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -2.865 1.781 -1.745 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -2.251 6.003 -1.254 1.00 0.00 H new ATOM 0 HZ PHE A 7 -1.648 3.664 -0.688 1.00 0.00 H new ATOM 114 N LYS A 8 -6.999 4.722 -1.407 1.00 0.00 N ATOM 115 CA LYS A 8 -6.948 4.537 0.038 1.00 0.00 C ATOM 116 C LYS A 8 -8.134 3.711 0.525 1.00 0.00 C ATOM 117 O LYS A 8 -7.982 2.811 1.359 1.00 0.00 O ATOM 118 CB LYS A 8 -6.973 5.900 0.726 1.00 0.00 C ATOM 119 CG LYS A 8 -6.806 5.718 2.238 1.00 0.00 C ATOM 120 CD LYS A 8 -6.754 7.094 2.919 1.00 0.00 C ATOM 121 CE LYS A 8 -8.176 7.597 3.219 1.00 0.00 C ATOM 122 NZ LYS A 8 -9.148 6.999 2.260 1.00 0.00 N ATOM 0 H LYS A 8 -7.155 5.685 -1.704 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.028 4.007 0.284 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.174 6.530 0.335 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.913 6.409 0.513 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.635 5.134 2.638 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.893 5.162 2.449 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.182 7.028 3.844 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.238 7.806 2.275 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -8.454 7.335 4.240 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -8.207 8.684 3.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -10.074 7.459 2.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -8.807 7.140 1.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -9.242 5.981 2.450 1.00 0.00 H new ATOM 136 N SER A 9 -9.323 4.024 0.019 1.00 0.00 N ATOM 137 CA SER A 9 -10.504 3.296 0.449 1.00 0.00 C ATOM 138 C SER A 9 -10.341 1.821 0.115 1.00 0.00 C ATOM 139 O SER A 9 -10.981 0.961 0.721 1.00 0.00 O ATOM 140 CB SER A 9 -11.762 3.860 -0.211 1.00 0.00 C ATOM 141 OG SER A 9 -11.523 4.039 -1.601 1.00 0.00 O ATOM 0 H SER A 9 -9.490 4.757 -0.670 1.00 0.00 H new ATOM 0 HA SER A 9 -10.615 3.409 1.527 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.602 3.182 -0.059 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.033 4.811 0.249 1.00 0.00 H new ATOM 0 HG SER A 9 -10.742 3.511 -1.869 1.00 0.00 H new ATOM 147 N LEU A 10 -9.458 1.532 -0.840 1.00 0.00 N ATOM 148 CA LEU A 10 -9.196 0.154 -1.226 1.00 0.00 C ATOM 149 C LEU A 10 -8.498 -0.560 -0.076 1.00 0.00 C ATOM 150 O LEU A 10 -8.807 -1.709 0.237 1.00 0.00 O ATOM 151 CB LEU A 10 -8.317 0.112 -2.486 1.00 0.00 C ATOM 152 CG LEU A 10 -8.664 -1.122 -3.327 1.00 0.00 C ATOM 153 CD1 LEU A 10 -7.693 -1.226 -4.506 1.00 0.00 C ATOM 154 CD2 LEU A 10 -8.551 -2.384 -2.464 1.00 0.00 C ATOM 0 H LEU A 10 -8.919 2.229 -1.354 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.139 -0.346 -1.448 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.467 1.017 -3.074 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.264 0.086 -2.204 1.00 0.00 H new ATOM 0 HG LEU A 10 -9.684 -1.028 -3.700 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.939 -2.103 -5.104 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.773 -0.331 -5.124 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.674 -1.317 -4.131 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.798 -3.259 -3.065 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.532 -2.478 -2.088 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -9.242 -2.314 -1.624 1.00 0.00 H new ATOM 166 N LEU A 11 -7.567 0.141 0.567 1.00 0.00 N ATOM 167 CA LEU A 11 -6.856 -0.435 1.699 1.00 0.00 C ATOM 168 C LEU A 11 -7.869 -0.843 2.757 1.00 0.00 C ATOM 169 O LEU A 11 -7.809 -1.951 3.285 1.00 0.00 O ATOM 170 CB LEU A 11 -5.864 0.575 2.289 1.00 0.00 C ATOM 171 CG LEU A 11 -4.550 0.548 1.496 1.00 0.00 C ATOM 172 CD1 LEU A 11 -3.879 1.925 1.564 1.00 0.00 C ATOM 173 CD2 LEU A 11 -3.613 -0.507 2.094 1.00 0.00 C ATOM 0 H LEU A 11 -7.292 1.093 0.327 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.293 -1.306 1.363 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.293 1.576 2.262 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.671 0.339 3.335 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.761 0.300 0.456 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.946 1.903 1.000 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.544 2.675 1.137 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.669 2.176 2.604 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.680 -0.526 1.531 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.404 -0.260 3.135 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.088 -1.487 2.042 1.00 0.00 H new ATOM 185 N LYS A 12 -8.815 0.049 3.045 1.00 0.00 N ATOM 186 CA LYS A 12 -9.852 -0.251 4.031 1.00 0.00 C ATOM 187 C LYS A 12 -10.266 -1.719 3.928 1.00 0.00 C ATOM 188 O LYS A 12 -10.204 -2.463 4.908 1.00 0.00 O ATOM 189 CB LYS A 12 -11.071 0.645 3.795 1.00 0.00 C ATOM 190 CG LYS A 12 -11.975 0.617 5.029 1.00 0.00 C ATOM 191 CD LYS A 12 -13.152 1.571 4.821 1.00 0.00 C ATOM 192 CE LYS A 12 -13.963 1.673 6.114 1.00 0.00 C ATOM 193 NZ LYS A 12 -14.579 0.352 6.421 1.00 0.00 N ATOM 0 H LYS A 12 -8.886 0.972 2.617 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.454 -0.062 5.028 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.750 1.666 3.590 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.623 0.302 2.920 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -12.340 -0.395 5.203 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.409 0.908 5.914 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.788 2.556 4.529 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -13.785 1.212 4.010 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -13.319 1.985 6.936 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -14.738 2.432 6.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -15.310 0.471 7.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -15.010 -0.039 5.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -13.847 -0.300 6.768 1.00 0.00 H new ATOM 207 N LYS A 13 -10.662 -2.134 2.729 1.00 0.00 N ATOM 208 CA LYS A 13 -11.056 -3.521 2.494 1.00 0.00 C ATOM 209 C LYS A 13 -9.966 -4.464 3.000 1.00 0.00 C ATOM 210 O LYS A 13 -10.248 -5.476 3.641 1.00 0.00 O ATOM 211 CB LYS A 13 -11.273 -3.744 0.990 1.00 0.00 C ATOM 212 CG LYS A 13 -12.735 -3.448 0.628 1.00 0.00 C ATOM 213 CD LYS A 13 -13.608 -4.672 0.949 1.00 0.00 C ATOM 214 CE LYS A 13 -14.970 -4.211 1.474 1.00 0.00 C ATOM 215 NZ LYS A 13 -14.806 -3.632 2.838 1.00 0.00 N ATOM 0 H LYS A 13 -10.719 -1.533 1.907 1.00 0.00 H new ATOM 0 HA LYS A 13 -11.983 -3.727 3.030 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.608 -3.097 0.417 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -11.024 -4.772 0.725 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -13.089 -2.581 1.185 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.814 -3.201 -0.431 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -13.739 -5.281 0.055 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -13.114 -5.298 1.692 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -15.399 -3.468 0.801 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -15.663 -5.051 1.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -15.703 -3.710 3.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -14.064 -4.151 3.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -14.537 -2.631 2.760 1.00 0.00 H new ATOM 229 N HIS A 14 -8.720 -4.113 2.702 1.00 0.00 N ATOM 230 CA HIS A 14 -7.570 -4.912 3.119 1.00 0.00 C ATOM 231 C HIS A 14 -7.379 -4.854 4.634 1.00 0.00 C ATOM 232 O HIS A 14 -7.447 -5.875 5.319 1.00 0.00 O ATOM 233 CB HIS A 14 -6.308 -4.377 2.429 1.00 0.00 C ATOM 234 CG HIS A 14 -5.370 -5.517 2.125 1.00 0.00 C ATOM 235 ND1 HIS A 14 -5.435 -6.231 0.939 1.00 0.00 N ATOM 236 CD2 HIS A 14 -4.340 -6.075 2.841 1.00 0.00 C ATOM 237 CE1 HIS A 14 -4.470 -7.168 0.976 1.00 0.00 C ATOM 238 NE2 HIS A 14 -3.774 -7.117 2.114 1.00 0.00 N ATOM 0 H HIS A 14 -8.478 -3.277 2.171 1.00 0.00 H new ATOM 0 HA HIS A 14 -7.748 -5.949 2.834 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -6.577 -3.860 1.508 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -5.813 -3.648 3.071 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -4.018 -5.754 3.820 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -4.282 -7.875 0.182 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -2.995 -7.714 2.391 1.00 0.00 H new ATOM 247 N TYR A 15 -7.128 -3.652 5.143 1.00 0.00 N ATOM 248 CA TYR A 15 -6.912 -3.450 6.569 1.00 0.00 C ATOM 249 C TYR A 15 -8.242 -3.261 7.294 1.00 0.00 C ATOM 250 O TYR A 15 -8.310 -2.575 8.315 1.00 0.00 O ATOM 251 CB TYR A 15 -6.032 -2.208 6.776 1.00 0.00 C ATOM 252 CG TYR A 15 -4.568 -2.586 6.725 1.00 0.00 C ATOM 253 CD1 TYR A 15 -4.119 -3.567 5.830 1.00 0.00 C ATOM 254 CD2 TYR A 15 -3.658 -1.952 7.580 1.00 0.00 C ATOM 255 CE1 TYR A 15 -2.762 -3.911 5.792 1.00 0.00 C ATOM 256 CE2 TYR A 15 -2.303 -2.297 7.541 1.00 0.00 C ATOM 257 CZ TYR A 15 -1.854 -3.277 6.647 1.00 0.00 C ATOM 258 OH TYR A 15 -0.517 -3.617 6.611 1.00 0.00 O ATOM 0 H TYR A 15 -7.069 -2.800 4.585 1.00 0.00 H new ATOM 0 HA TYR A 15 -6.417 -4.330 6.979 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -6.250 -1.467 6.007 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -6.262 -1.747 7.737 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -4.819 -4.057 5.170 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -4.003 -1.196 8.270 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -2.416 -4.666 5.102 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.602 -1.807 8.201 1.00 0.00 H new ATOM 0 HH TYR A 15 -0.025 -3.081 7.268 1.00 0.00 H new ATOM 268 N GLU A 16 -9.298 -3.864 6.764 1.00 0.00 N ATOM 269 CA GLU A 16 -10.617 -3.740 7.378 1.00 0.00 C ATOM 270 C GLU A 16 -10.581 -4.174 8.844 1.00 0.00 C ATOM 271 O GLU A 16 -11.423 -3.760 9.641 1.00 0.00 O ATOM 272 CB GLU A 16 -11.642 -4.575 6.603 1.00 0.00 C ATOM 273 CG GLU A 16 -11.410 -6.070 6.851 1.00 0.00 C ATOM 274 CD GLU A 16 -9.986 -6.456 6.459 1.00 0.00 C ATOM 275 OE1 GLU A 16 -9.816 -6.989 5.376 1.00 0.00 O ATOM 276 OE2 GLU A 16 -9.088 -6.218 7.250 1.00 0.00 O ATOM 0 H GLU A 16 -9.271 -4.437 5.921 1.00 0.00 H new ATOM 0 HA GLU A 16 -10.913 -2.692 7.341 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -12.651 -4.301 6.911 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -11.564 -4.360 5.537 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -11.581 -6.302 7.902 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -12.125 -6.657 6.274 1.00 0.00 H new ATOM 283 N LYS A 17 -9.601 -5.004 9.196 1.00 0.00 N ATOM 284 CA LYS A 17 -9.466 -5.479 10.571 1.00 0.00 C ATOM 285 C LYS A 17 -8.412 -4.664 11.313 1.00 0.00 C ATOM 286 O LYS A 17 -8.601 -4.289 12.470 1.00 0.00 O ATOM 287 CB LYS A 17 -9.055 -6.957 10.582 1.00 0.00 C ATOM 288 CG LYS A 17 -10.245 -7.837 10.187 1.00 0.00 C ATOM 289 CD LYS A 17 -9.943 -9.296 10.541 1.00 0.00 C ATOM 290 CE LYS A 17 -8.584 -9.696 9.962 1.00 0.00 C ATOM 291 NZ LYS A 17 -8.475 -11.181 9.926 1.00 0.00 N ATOM 0 H LYS A 17 -8.893 -5.359 8.553 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.429 -5.364 11.068 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.228 -7.118 9.890 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.699 -7.236 11.574 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -11.144 -7.505 10.706 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.441 -7.744 9.119 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.940 -9.425 11.623 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.723 -9.946 10.145 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -8.471 -9.288 8.957 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.781 -9.277 10.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -7.551 -11.452 9.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -8.565 -11.559 10.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.233 -11.570 9.330 1.00 0.00 H new ATOM 305 N THR A 18 -7.297 -4.402 10.639 1.00 0.00 N ATOM 306 CA THR A 18 -6.209 -3.638 11.239 1.00 0.00 C ATOM 307 C THR A 18 -6.471 -2.140 11.123 1.00 0.00 C ATOM 308 O THR A 18 -5.585 -1.375 10.743 1.00 0.00 O ATOM 309 CB THR A 18 -4.888 -3.986 10.543 1.00 0.00 C ATOM 310 OG1 THR A 18 -4.880 -5.368 10.216 1.00 0.00 O ATOM 311 CG2 THR A 18 -3.712 -3.675 11.473 1.00 0.00 C ATOM 0 H THR A 18 -7.123 -4.706 9.681 1.00 0.00 H new ATOM 0 HA THR A 18 -6.146 -3.898 12.296 1.00 0.00 H new ATOM 0 HB THR A 18 -4.792 -3.392 9.634 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.037 -5.594 9.769 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.776 -3.925 10.972 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.717 -2.614 11.724 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.804 -4.264 12.385 1.00 0.00 H new ATOM 319 N ILE A 19 -7.690 -1.726 11.451 1.00 0.00 N ATOM 320 CA ILE A 19 -8.044 -0.313 11.377 1.00 0.00 C ATOM 321 C ILE A 19 -7.154 0.506 12.308 1.00 0.00 C ATOM 322 O ILE A 19 -6.392 1.355 11.850 1.00 0.00 O ATOM 323 CB ILE A 19 -9.520 -0.113 11.742 1.00 0.00 C ATOM 324 CG1 ILE A 19 -9.856 1.389 11.716 1.00 0.00 C ATOM 325 CG2 ILE A 19 -9.799 -0.684 13.140 1.00 0.00 C ATOM 326 CD1 ILE A 19 -11.273 1.593 11.171 1.00 0.00 C ATOM 0 H ILE A 19 -8.441 -2.340 11.767 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.888 0.030 10.354 1.00 0.00 H new ATOM 0 HB ILE A 19 -10.142 -0.637 11.017 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -9.779 1.806 12.720 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -9.137 1.921 11.094 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -10.850 -0.537 13.390 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.569 -1.749 13.150 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -9.176 -0.171 13.873 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.507 2.658 11.154 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -11.335 1.192 10.159 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -11.987 1.075 11.811 1.00 0.00 H new ATOM 338 N GLY A 20 -7.260 0.251 13.612 1.00 0.00 N ATOM 339 CA GLY A 20 -6.462 0.976 14.601 1.00 0.00 C ATOM 340 C GLY A 20 -5.139 1.447 14.009 1.00 0.00 C ATOM 341 O GLY A 20 -4.873 2.647 13.939 1.00 0.00 O ATOM 0 H GLY A 20 -7.888 -0.449 14.007 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -7.025 1.835 14.967 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -6.270 0.332 15.459 1.00 0.00 H new ATOM 345 N PHE A 21 -4.313 0.499 13.575 1.00 0.00 N ATOM 346 CA PHE A 21 -3.026 0.847 12.983 1.00 0.00 C ATOM 347 C PHE A 21 -3.205 1.993 11.996 1.00 0.00 C ATOM 348 O PHE A 21 -2.464 2.975 12.024 1.00 0.00 O ATOM 349 CB PHE A 21 -2.428 -0.358 12.256 1.00 0.00 C ATOM 350 CG PHE A 21 -1.095 0.029 11.657 1.00 0.00 C ATOM 351 CD1 PHE A 21 -0.968 0.197 10.272 1.00 0.00 C ATOM 352 CD2 PHE A 21 0.014 0.223 12.489 1.00 0.00 C ATOM 353 CE1 PHE A 21 0.268 0.555 9.721 1.00 0.00 C ATOM 354 CE2 PHE A 21 1.249 0.582 11.938 1.00 0.00 C ATOM 355 CZ PHE A 21 1.376 0.748 10.553 1.00 0.00 C ATOM 0 H PHE A 21 -4.508 -0.501 13.621 1.00 0.00 H new ATOM 0 HA PHE A 21 -2.349 1.152 13.781 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.300 -1.189 12.950 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.106 -0.698 11.473 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -1.824 0.050 9.629 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -0.084 0.095 13.557 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.366 0.682 8.653 1.00 0.00 H new ATOM 0 HE2 PHE A 21 2.104 0.731 12.580 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.329 1.025 10.127 1.00 0.00 H new ATOM 365 N HIS A 22 -4.205 1.861 11.131 1.00 0.00 N ATOM 366 CA HIS A 22 -4.490 2.890 10.144 1.00 0.00 C ATOM 367 C HIS A 22 -4.966 4.162 10.839 1.00 0.00 C ATOM 368 O HIS A 22 -4.851 5.257 10.292 1.00 0.00 O ATOM 369 CB HIS A 22 -5.546 2.388 9.154 1.00 0.00 C ATOM 370 CG HIS A 22 -5.618 3.297 7.959 1.00 0.00 C ATOM 371 ND1 HIS A 22 -6.149 4.575 8.032 1.00 0.00 N ATOM 372 CD2 HIS A 22 -5.250 3.117 6.649 1.00 0.00 C ATOM 373 CE1 HIS A 22 -6.088 5.109 6.798 1.00 0.00 C ATOM 374 NE2 HIS A 22 -5.547 4.263 5.918 1.00 0.00 N ATOM 0 H HIS A 22 -4.828 1.054 11.095 1.00 0.00 H new ATOM 0 HA HIS A 22 -3.579 3.118 9.591 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.301 1.375 8.834 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -6.519 2.342 9.643 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -6.518 5.028 8.868 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -4.799 2.222 6.247 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -6.435 6.101 6.550 1.00 0.00 H new ATOM 383 N ASP A 23 -5.469 4.015 12.059 1.00 0.00 N ATOM 384 CA ASP A 23 -5.923 5.169 12.828 1.00 0.00 C ATOM 385 C ASP A 23 -4.727 5.811 13.526 1.00 0.00 C ATOM 386 O ASP A 23 -4.837 6.872 14.140 1.00 0.00 O ATOM 387 CB ASP A 23 -6.956 4.734 13.872 1.00 0.00 C ATOM 388 CG ASP A 23 -7.668 5.954 14.443 1.00 0.00 C ATOM 389 OD1 ASP A 23 -7.084 6.615 15.286 1.00 0.00 O ATOM 390 OD2 ASP A 23 -8.787 6.210 14.029 1.00 0.00 O ATOM 0 H ASP A 23 -5.573 3.118 12.534 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.386 5.890 12.154 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -7.682 4.059 13.418 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.465 4.182 14.673 1.00 0.00 H new ATOM 395 N LYS A 24 -3.586 5.136 13.425 1.00 0.00 N ATOM 396 CA LYS A 24 -2.347 5.601 14.040 1.00 0.00 C ATOM 397 C LYS A 24 -1.526 6.461 13.080 1.00 0.00 C ATOM 398 O LYS A 24 -1.371 7.662 13.300 1.00 0.00 O ATOM 399 CB LYS A 24 -1.511 4.392 14.478 1.00 0.00 C ATOM 400 CG LYS A 24 -0.608 4.778 15.658 1.00 0.00 C ATOM 401 CD LYS A 24 -1.366 4.585 16.975 1.00 0.00 C ATOM 402 CE LYS A 24 -0.631 5.313 18.103 1.00 0.00 C ATOM 403 NZ LYS A 24 -1.014 4.713 19.411 1.00 0.00 N ATOM 0 H LYS A 24 -3.494 4.256 12.917 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.610 6.215 14.902 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.167 3.570 14.765 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.903 4.038 13.645 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.294 4.166 15.653 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.289 5.816 15.560 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.381 4.970 16.881 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.448 3.523 17.207 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.447 5.238 17.958 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.881 6.374 18.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -0.515 5.207 20.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.041 4.807 19.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.754 3.706 19.421 1.00 0.00 H new ATOM 417 N TYR A 25 -0.981 5.846 12.031 1.00 0.00 N ATOM 418 CA TYR A 25 -0.155 6.585 11.073 1.00 0.00 C ATOM 419 C TYR A 25 -0.849 6.730 9.721 1.00 0.00 C ATOM 420 O TYR A 25 -1.184 7.840 9.307 1.00 0.00 O ATOM 421 CB TYR A 25 1.186 5.875 10.888 1.00 0.00 C ATOM 422 CG TYR A 25 1.719 5.452 12.237 1.00 0.00 C ATOM 423 CD1 TYR A 25 1.622 4.115 12.640 1.00 0.00 C ATOM 424 CD2 TYR A 25 2.310 6.397 13.084 1.00 0.00 C ATOM 425 CE1 TYR A 25 2.115 3.723 13.889 1.00 0.00 C ATOM 426 CE2 TYR A 25 2.803 6.006 14.334 1.00 0.00 C ATOM 427 CZ TYR A 25 2.707 4.668 14.737 1.00 0.00 C ATOM 428 OH TYR A 25 3.193 4.281 15.969 1.00 0.00 O ATOM 0 H TYR A 25 -1.093 4.854 11.823 1.00 0.00 H new ATOM 0 HA TYR A 25 0.006 7.585 11.476 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.063 5.004 10.244 1.00 0.00 H new ATOM 0 HB3 TYR A 25 1.897 6.539 10.395 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.166 3.386 11.986 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.386 7.428 12.773 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.039 2.691 14.200 1.00 0.00 H new ATOM 0 HE2 TYR A 25 3.257 6.736 14.988 1.00 0.00 H new ATOM 0 HH TYR A 25 3.572 5.058 16.430 1.00 0.00 H new ATOM 438 N ILE A 26 -1.047 5.612 9.028 1.00 0.00 N ATOM 439 CA ILE A 26 -1.689 5.648 7.715 1.00 0.00 C ATOM 440 C ILE A 26 -2.877 6.611 7.720 1.00 0.00 C ATOM 441 O ILE A 26 -3.350 7.026 6.661 1.00 0.00 O ATOM 442 CB ILE A 26 -2.166 4.247 7.315 1.00 0.00 C ATOM 443 CG1 ILE A 26 -1.195 3.189 7.854 1.00 0.00 C ATOM 444 CG2 ILE A 26 -2.236 4.142 5.788 1.00 0.00 C ATOM 445 CD1 ILE A 26 0.237 3.521 7.426 1.00 0.00 C ATOM 0 H ILE A 26 -0.777 4.681 9.347 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.954 5.998 6.990 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.156 4.076 7.738 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.257 3.148 8.941 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.475 2.204 7.481 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.575 3.145 5.507 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.935 4.885 5.404 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.247 4.321 5.365 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.918 2.763 7.814 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.297 3.539 6.338 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.518 4.497 7.821 1.00 0.00 H new ATOM 457 N LYS A 27 -3.345 6.960 8.920 1.00 0.00 N ATOM 458 CA LYS A 27 -4.475 7.880 9.083 1.00 0.00 C ATOM 459 C LYS A 27 -4.766 8.650 7.795 1.00 0.00 C ATOM 460 O LYS A 27 -5.438 8.146 6.897 1.00 0.00 O ATOM 461 CB LYS A 27 -4.166 8.872 10.207 1.00 0.00 C ATOM 462 CG LYS A 27 -5.393 9.749 10.469 1.00 0.00 C ATOM 463 CD LYS A 27 -5.183 10.554 11.751 1.00 0.00 C ATOM 464 CE LYS A 27 -6.411 11.427 12.011 1.00 0.00 C ATOM 465 NZ LYS A 27 -6.276 12.097 13.334 1.00 0.00 N ATOM 0 H LYS A 27 -2.957 6.617 9.799 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.357 7.289 9.330 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.890 8.335 11.114 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.314 9.494 9.933 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.558 10.422 9.628 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.284 9.128 10.559 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.017 9.881 12.592 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.293 11.177 11.660 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.513 12.173 11.223 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.314 10.817 11.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -7.112 12.690 13.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.199 11.378 14.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.423 12.692 13.337 1.00 0.00 H new ATOM 479 N ASP A 28 -4.254 9.874 7.714 1.00 0.00 N ATOM 480 CA ASP A 28 -4.462 10.706 6.535 1.00 0.00 C ATOM 481 C ASP A 28 -3.259 11.613 6.315 1.00 0.00 C ATOM 482 O ASP A 28 -3.401 12.828 6.176 1.00 0.00 O ATOM 483 CB ASP A 28 -5.721 11.556 6.709 1.00 0.00 C ATOM 484 CG ASP A 28 -5.513 12.571 7.827 1.00 0.00 C ATOM 485 OD1 ASP A 28 -4.630 12.354 8.642 1.00 0.00 O ATOM 486 OD2 ASP A 28 -6.238 13.552 7.853 1.00 0.00 O ATOM 0 H ASP A 28 -3.695 10.310 8.447 1.00 0.00 H new ATOM 0 HA ASP A 28 -4.584 10.058 5.667 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.954 12.071 5.777 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.573 10.916 6.941 1.00 0.00 H new ATOM 491 N ILE A 29 -2.073 11.013 6.286 1.00 0.00 N ATOM 492 CA ILE A 29 -0.844 11.773 6.086 1.00 0.00 C ATOM 493 C ILE A 29 -1.045 12.842 5.017 1.00 0.00 C ATOM 494 O ILE A 29 -2.017 12.806 4.262 1.00 0.00 O ATOM 495 CB ILE A 29 0.293 10.832 5.669 1.00 0.00 C ATOM 496 CG1 ILE A 29 0.105 9.476 6.356 1.00 0.00 C ATOM 497 CG2 ILE A 29 1.642 11.430 6.084 1.00 0.00 C ATOM 498 CD1 ILE A 29 1.360 8.625 6.154 1.00 0.00 C ATOM 0 H ILE A 29 -1.937 10.008 6.398 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.582 12.260 7.025 1.00 0.00 H new ATOM 0 HB ILE A 29 0.276 10.703 4.587 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.084 9.618 7.420 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.765 8.965 5.944 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.446 10.757 5.785 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.777 12.396 5.597 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.664 11.563 7.166 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.228 7.660 6.642 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.528 8.472 5.088 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.220 9.136 6.587 1.00 0.00 H new ATOM 510 N ASN A 30 -0.116 13.789 4.959 1.00 0.00 N ATOM 511 CA ASN A 30 -0.190 14.869 3.980 1.00 0.00 C ATOM 512 C ASN A 30 1.096 14.937 3.164 1.00 0.00 C ATOM 513 O ASN A 30 1.420 15.976 2.588 1.00 0.00 O ATOM 514 CB ASN A 30 -0.411 16.205 4.693 1.00 0.00 C ATOM 515 CG ASN A 30 -1.826 16.267 5.259 1.00 0.00 C ATOM 516 OD1 ASN A 30 -2.703 16.901 4.672 1.00 0.00 O ATOM 517 ND2 ASN A 30 -2.102 15.642 6.371 1.00 0.00 N ATOM 0 H ASN A 30 0.695 13.832 5.576 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.026 14.671 3.309 1.00 0.00 H new ATOM 0 HB2 ASN A 30 0.316 16.322 5.496 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -0.253 17.029 3.997 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -3.046 15.678 6.756 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -1.374 15.117 6.855 1.00 0.00 H new ATOM 524 N ARG A 31 1.826 13.826 3.119 1.00 0.00 N ATOM 525 CA ARG A 31 3.077 13.776 2.368 1.00 0.00 C ATOM 526 C ARG A 31 3.173 12.480 1.561 1.00 0.00 C ATOM 527 O ARG A 31 3.719 11.476 2.022 1.00 0.00 O ATOM 528 CB ARG A 31 4.271 13.898 3.329 1.00 0.00 C ATOM 529 CG ARG A 31 5.144 15.098 2.945 1.00 0.00 C ATOM 530 CD ARG A 31 5.681 14.928 1.519 1.00 0.00 C ATOM 531 NE ARG A 31 6.961 15.611 1.382 1.00 0.00 N ATOM 532 CZ ARG A 31 7.052 16.933 1.502 1.00 0.00 C ATOM 533 NH1 ARG A 31 5.981 17.640 1.741 1.00 0.00 N ATOM 534 NH2 ARG A 31 8.208 17.523 1.379 1.00 0.00 N ATOM 0 H ARG A 31 1.576 12.956 3.589 1.00 0.00 H new ATOM 0 HA ARG A 31 3.097 14.613 1.670 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.913 14.013 4.352 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.864 12.984 3.300 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.562 16.017 3.015 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.974 15.192 3.645 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.799 13.869 1.290 1.00 0.00 H new ATOM 0 HD3 ARG A 31 4.966 15.332 0.802 1.00 0.00 H new ATOM 0 HE ARG A 31 7.802 15.066 1.191 1.00 0.00 H new ATOM 0 HH11 ARG A 31 5.076 17.179 1.836 1.00 0.00 H new ATOM 0 HH12 ARG A 31 6.049 18.654 1.833 1.00 0.00 H new ATOM 0 HH21 ARG A 31 9.045 16.971 1.190 1.00 0.00 H new ATOM 0 HH22 ARG A 31 8.276 18.537 1.471 1.00 0.00 H new ATOM 548 N PHE A 32 2.638 12.528 0.348 1.00 0.00 N ATOM 549 CA PHE A 32 2.651 11.383 -0.557 1.00 0.00 C ATOM 550 C PHE A 32 2.714 11.885 -1.994 1.00 0.00 C ATOM 551 O PHE A 32 1.920 12.736 -2.398 1.00 0.00 O ATOM 552 CB PHE A 32 1.392 10.535 -0.359 1.00 0.00 C ATOM 553 CG PHE A 32 0.169 11.366 -0.658 1.00 0.00 C ATOM 554 CD1 PHE A 32 -0.429 11.303 -1.923 1.00 0.00 C ATOM 555 CD2 PHE A 32 -0.370 12.200 0.329 1.00 0.00 C ATOM 556 CE1 PHE A 32 -1.563 12.073 -2.201 1.00 0.00 C ATOM 557 CE2 PHE A 32 -1.506 12.970 0.052 1.00 0.00 C ATOM 558 CZ PHE A 32 -2.103 12.907 -1.213 1.00 0.00 C ATOM 0 H PHE A 32 2.185 13.357 -0.036 1.00 0.00 H new ATOM 0 HA PHE A 32 3.523 10.765 -0.343 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.421 9.664 -1.014 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.350 10.163 0.665 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.014 10.659 -2.684 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.091 12.249 1.305 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -2.022 12.025 -3.177 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.922 13.613 0.814 1.00 0.00 H new ATOM 0 HZ PHE A 32 -2.979 13.501 -1.427 1.00 0.00 H new ATOM 568 N VAL A 33 3.679 11.376 -2.755 1.00 0.00 N ATOM 569 CA VAL A 33 3.853 11.805 -4.140 1.00 0.00 C ATOM 570 C VAL A 33 3.701 10.646 -5.120 1.00 0.00 C ATOM 571 O VAL A 33 4.361 9.610 -4.995 1.00 0.00 O ATOM 572 CB VAL A 33 5.236 12.435 -4.311 1.00 0.00 C ATOM 573 CG1 VAL A 33 5.372 13.625 -3.359 1.00 0.00 C ATOM 574 CG2 VAL A 33 6.315 11.398 -3.987 1.00 0.00 C ATOM 0 H VAL A 33 4.347 10.672 -2.440 1.00 0.00 H new ATOM 0 HA VAL A 33 3.074 12.534 -4.361 1.00 0.00 H new ATOM 0 HB VAL A 33 5.357 12.774 -5.340 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.357 14.076 -3.479 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.604 14.364 -3.588 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.252 13.284 -2.331 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.300 11.848 -4.109 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.196 11.059 -2.958 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.218 10.548 -4.663 1.00 0.00 H new ATOM 584 N PHE A 34 2.825 10.848 -6.103 1.00 0.00 N ATOM 585 CA PHE A 34 2.566 9.851 -7.138 1.00 0.00 C ATOM 586 C PHE A 34 2.814 10.477 -8.509 1.00 0.00 C ATOM 587 O PHE A 34 2.309 11.560 -8.806 1.00 0.00 O ATOM 588 CB PHE A 34 1.110 9.355 -7.021 1.00 0.00 C ATOM 589 CG PHE A 34 0.461 9.265 -8.385 1.00 0.00 C ATOM 590 CD1 PHE A 34 -0.715 9.980 -8.647 1.00 0.00 C ATOM 591 CD2 PHE A 34 1.030 8.465 -9.383 1.00 0.00 C ATOM 592 CE1 PHE A 34 -1.319 9.896 -9.906 1.00 0.00 C ATOM 593 CE2 PHE A 34 0.426 8.382 -10.644 1.00 0.00 C ATOM 594 CZ PHE A 34 -0.750 9.098 -10.904 1.00 0.00 C ATOM 0 H PHE A 34 2.278 11.703 -6.204 1.00 0.00 H new ATOM 0 HA PHE A 34 3.234 8.999 -7.013 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.092 8.377 -6.540 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.540 10.033 -6.386 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -1.155 10.596 -7.877 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.935 7.912 -9.181 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.225 10.448 -10.108 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.866 7.767 -11.415 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.217 9.034 -11.876 1.00 0.00 H new ATOM 604 N LYS A 35 3.595 9.791 -9.337 1.00 0.00 N ATOM 605 CA LYS A 35 3.909 10.291 -10.674 1.00 0.00 C ATOM 606 C LYS A 35 3.450 9.297 -11.733 1.00 0.00 C ATOM 607 O LYS A 35 2.660 9.632 -12.614 1.00 0.00 O ATOM 608 CB LYS A 35 5.418 10.509 -10.806 1.00 0.00 C ATOM 609 CG LYS A 35 5.932 11.293 -9.595 1.00 0.00 C ATOM 610 CD LYS A 35 7.370 11.751 -9.852 1.00 0.00 C ATOM 611 CE LYS A 35 8.299 10.535 -9.902 1.00 0.00 C ATOM 612 NZ LYS A 35 9.714 10.986 -9.777 1.00 0.00 N ATOM 0 H LYS A 35 4.021 8.892 -9.109 1.00 0.00 H new ATOM 0 HA LYS A 35 3.388 11.237 -10.822 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.930 9.549 -10.874 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.638 11.053 -11.724 1.00 0.00 H new ATOM 0 HG2 LYS A 35 5.292 12.156 -9.410 1.00 0.00 H new ATOM 0 HG3 LYS A 35 5.892 10.669 -8.702 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.424 12.301 -10.792 1.00 0.00 H new ATOM 0 HD3 LYS A 35 7.691 12.433 -9.065 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.054 9.843 -9.096 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.159 9.995 -10.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.346 10.161 -9.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.944 11.630 -10.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.841 11.483 -8.872 1.00 0.00 H new ATOM 626 N ASN A 36 3.960 8.075 -11.635 1.00 0.00 N ATOM 627 CA ASN A 36 3.618 7.017 -12.579 1.00 0.00 C ATOM 628 C ASN A 36 4.674 5.923 -12.518 1.00 0.00 C ATOM 629 O ASN A 36 4.415 4.770 -12.860 1.00 0.00 O ATOM 630 CB ASN A 36 3.540 7.583 -14.004 1.00 0.00 C ATOM 631 CG ASN A 36 3.749 6.473 -15.032 1.00 0.00 C ATOM 632 OD1 ASN A 36 3.004 5.493 -15.049 1.00 0.00 O ATOM 633 ND2 ASN A 36 4.724 6.570 -15.895 1.00 0.00 N ATOM 0 H ASN A 36 4.616 7.791 -10.907 1.00 0.00 H new ATOM 0 HA ASN A 36 2.646 6.602 -12.312 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.570 8.055 -14.162 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.296 8.357 -14.136 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.870 5.833 -16.585 1.00 0.00 H new ATOM 0 HD22 ASN A 36 5.340 7.383 -15.879 1.00 0.00 H new ATOM 640 N ASN A 37 5.871 6.302 -12.080 1.00 0.00 N ATOM 641 CA ASN A 37 6.968 5.355 -11.974 1.00 0.00 C ATOM 642 C ASN A 37 6.951 4.662 -10.624 1.00 0.00 C ATOM 643 O ASN A 37 7.109 3.448 -10.538 1.00 0.00 O ATOM 644 CB ASN A 37 8.305 6.076 -12.168 1.00 0.00 C ATOM 645 CG ASN A 37 8.256 6.935 -13.427 1.00 0.00 C ATOM 646 OD1 ASN A 37 7.526 6.619 -14.367 1.00 0.00 O ATOM 647 ND2 ASN A 37 8.993 8.009 -13.502 1.00 0.00 N ATOM 0 H ASN A 37 6.102 7.254 -11.795 1.00 0.00 H new ATOM 0 HA ASN A 37 6.847 4.603 -12.753 1.00 0.00 H new ATOM 0 HB2 ASN A 37 8.521 6.700 -11.300 1.00 0.00 H new ATOM 0 HB3 ASN A 37 9.112 5.348 -12.246 1.00 0.00 H new ATOM 0 HD21 ASN A 37 8.965 8.589 -14.341 1.00 0.00 H new ATOM 0 HD22 ASN A 37 9.597 8.269 -12.722 1.00 0.00 H new ATOM 654 N VAL A 38 6.767 5.448 -9.576 1.00 0.00 N ATOM 655 CA VAL A 38 6.739 4.911 -8.216 1.00 0.00 C ATOM 656 C VAL A 38 5.932 5.811 -7.285 1.00 0.00 C ATOM 657 O VAL A 38 5.627 6.956 -7.616 1.00 0.00 O ATOM 658 CB VAL A 38 8.166 4.794 -7.674 1.00 0.00 C ATOM 659 CG1 VAL A 38 8.138 4.167 -6.276 1.00 0.00 C ATOM 660 CG2 VAL A 38 8.999 3.917 -8.609 1.00 0.00 C ATOM 0 H VAL A 38 6.635 6.458 -9.635 1.00 0.00 H new ATOM 0 HA VAL A 38 6.268 3.929 -8.254 1.00 0.00 H new ATOM 0 HB VAL A 38 8.610 5.788 -7.616 1.00 0.00 H new ATOM 0 HG11 VAL A 38 9.155 4.085 -5.893 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.548 4.794 -5.608 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.690 3.175 -6.331 1.00 0.00 H new ATOM 0 HG21 VAL A 38 10.015 3.835 -8.222 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.553 2.925 -8.671 1.00 0.00 H new ATOM 0 HG23 VAL A 38 9.025 4.366 -9.602 1.00 0.00 H new ATOM 670 N LEU A 39 5.606 5.279 -6.108 1.00 0.00 N ATOM 671 CA LEU A 39 4.851 6.028 -5.109 1.00 0.00 C ATOM 672 C LEU A 39 5.621 6.038 -3.788 1.00 0.00 C ATOM 673 O LEU A 39 5.962 4.980 -3.251 1.00 0.00 O ATOM 674 CB LEU A 39 3.471 5.381 -4.903 1.00 0.00 C ATOM 675 CG LEU A 39 2.386 6.218 -5.591 1.00 0.00 C ATOM 676 CD1 LEU A 39 2.458 6.027 -7.110 1.00 0.00 C ATOM 677 CD2 LEU A 39 1.011 5.774 -5.094 1.00 0.00 C ATOM 0 H LEU A 39 5.854 4.331 -5.824 1.00 0.00 H new ATOM 0 HA LEU A 39 4.714 7.053 -5.455 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.472 4.369 -5.308 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.256 5.298 -3.838 1.00 0.00 H new ATOM 0 HG LEU A 39 2.545 7.270 -5.353 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.683 6.626 -7.589 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.437 6.344 -7.471 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.305 4.975 -7.352 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.238 6.368 -5.582 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.862 4.720 -5.330 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.951 5.916 -4.015 1.00 0.00 H new ATOM 689 N LEU A 40 5.901 7.236 -3.271 1.00 0.00 N ATOM 690 CA LEU A 40 6.646 7.360 -2.016 1.00 0.00 C ATOM 691 C LEU A 40 5.787 8.055 -0.961 1.00 0.00 C ATOM 692 O LEU A 40 5.012 8.959 -1.272 1.00 0.00 O ATOM 693 CB LEU A 40 7.940 8.164 -2.261 1.00 0.00 C ATOM 694 CG LEU A 40 9.181 7.371 -1.814 1.00 0.00 C ATOM 695 CD1 LEU A 40 10.408 7.866 -2.584 1.00 0.00 C ATOM 696 CD2 LEU A 40 9.418 7.584 -0.316 1.00 0.00 C ATOM 0 H LEU A 40 5.628 8.123 -3.694 1.00 0.00 H new ATOM 0 HA LEU A 40 6.905 6.365 -1.653 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.024 8.409 -3.320 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.893 9.108 -1.718 1.00 0.00 H new ATOM 0 HG LEU A 40 9.019 6.312 -2.014 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.287 7.305 -2.268 1.00 0.00 H new ATOM 0 HD12 LEU A 40 10.250 7.721 -3.653 1.00 0.00 H new ATOM 0 HD13 LEU A 40 10.562 8.926 -2.381 1.00 0.00 H new ATOM 0 HD21 LEU A 40 10.297 7.021 -0.003 1.00 0.00 H new ATOM 0 HD22 LEU A 40 9.577 8.644 -0.120 1.00 0.00 H new ATOM 0 HD23 LEU A 40 8.548 7.238 0.243 1.00 0.00 H new ATOM 708 N ILE A 41 5.932 7.619 0.291 1.00 0.00 N ATOM 709 CA ILE A 41 5.163 8.199 1.391 1.00 0.00 C ATOM 710 C ILE A 41 6.034 8.348 2.638 1.00 0.00 C ATOM 711 O ILE A 41 6.781 7.439 3.000 1.00 0.00 O ATOM 712 CB ILE A 41 3.953 7.314 1.716 1.00 0.00 C ATOM 713 CG1 ILE A 41 2.944 7.357 0.554 1.00 0.00 C ATOM 714 CG2 ILE A 41 3.278 7.825 2.992 1.00 0.00 C ATOM 715 CD1 ILE A 41 3.288 6.286 -0.490 1.00 0.00 C ATOM 0 H ILE A 41 6.570 6.872 0.567 1.00 0.00 H new ATOM 0 HA ILE A 41 4.817 9.185 1.081 1.00 0.00 H new ATOM 0 HB ILE A 41 4.289 6.287 1.862 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.935 7.194 0.933 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.955 8.343 0.090 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.418 7.197 3.225 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.988 7.789 3.818 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.947 8.853 2.842 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.566 6.328 -1.306 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.289 6.468 -0.881 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.253 5.301 -0.025 1.00 0.00 H new ATOM 727 N LEU A 42 5.933 9.506 3.282 1.00 0.00 N ATOM 728 CA LEU A 42 6.713 9.784 4.485 1.00 0.00 C ATOM 729 C LEU A 42 6.325 8.846 5.625 1.00 0.00 C ATOM 730 O LEU A 42 5.143 8.657 5.915 1.00 0.00 O ATOM 731 CB LEU A 42 6.484 11.234 4.931 1.00 0.00 C ATOM 732 CG LEU A 42 7.374 12.199 4.132 1.00 0.00 C ATOM 733 CD1 LEU A 42 8.817 12.110 4.634 1.00 0.00 C ATOM 734 CD2 LEU A 42 7.330 11.850 2.640 1.00 0.00 C ATOM 0 H LEU A 42 5.319 10.267 2.992 1.00 0.00 H new ATOM 0 HA LEU A 42 7.765 9.627 4.245 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.436 11.500 4.793 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.700 11.330 5.995 1.00 0.00 H new ATOM 0 HG LEU A 42 7.002 13.214 4.271 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.443 12.796 4.064 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.852 12.378 5.690 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.185 11.092 4.506 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.965 12.541 2.086 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.689 10.831 2.494 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.305 11.929 2.278 1.00 0.00 H new ATOM 746 N LEU A 43 7.333 8.274 6.274 1.00 0.00 N ATOM 747 CA LEU A 43 7.100 7.371 7.396 1.00 0.00 C ATOM 748 C LEU A 43 8.374 7.210 8.220 1.00 0.00 C ATOM 749 O LEU A 43 9.214 6.360 7.923 1.00 0.00 O ATOM 750 CB LEU A 43 6.642 6.003 6.885 1.00 0.00 C ATOM 751 CG LEU A 43 6.278 5.093 8.068 1.00 0.00 C ATOM 752 CD1 LEU A 43 4.825 5.342 8.484 1.00 0.00 C ATOM 753 CD2 LEU A 43 6.438 3.628 7.654 1.00 0.00 C ATOM 0 H LEU A 43 8.316 8.418 6.044 1.00 0.00 H new ATOM 0 HA LEU A 43 6.320 7.798 8.027 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.780 6.121 6.228 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.433 5.544 6.293 1.00 0.00 H new ATOM 0 HG LEU A 43 6.940 5.313 8.906 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.571 4.695 9.323 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.705 6.384 8.780 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.164 5.125 7.645 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.180 2.982 8.493 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.777 3.413 6.814 1.00 0.00 H new ATOM 0 HD23 LEU A 43 7.471 3.444 7.359 1.00 0.00 H new ATOM 765 N GLU A 44 8.509 8.029 9.259 1.00 0.00 N ATOM 766 CA GLU A 44 9.682 7.966 10.123 1.00 0.00 C ATOM 767 C GLU A 44 9.474 6.928 11.221 1.00 0.00 C ATOM 768 O GLU A 44 10.434 6.400 11.782 1.00 0.00 O ATOM 769 CB GLU A 44 9.944 9.336 10.752 1.00 0.00 C ATOM 770 CG GLU A 44 8.748 9.739 11.618 1.00 0.00 C ATOM 771 CD GLU A 44 8.849 11.213 11.993 1.00 0.00 C ATOM 772 OE1 GLU A 44 9.779 11.858 11.535 1.00 0.00 O ATOM 773 OE2 GLU A 44 7.998 11.677 12.734 1.00 0.00 O ATOM 0 H GLU A 44 7.826 8.739 9.521 1.00 0.00 H new ATOM 0 HA GLU A 44 10.543 7.677 9.520 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.850 9.302 11.358 1.00 0.00 H new ATOM 0 HB3 GLU A 44 10.109 10.080 9.973 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.819 9.556 11.078 1.00 0.00 H new ATOM 0 HG3 GLU A 44 8.719 9.127 12.520 1.00 0.00 H new ATOM 780 N ASN A 45 8.211 6.641 11.521 1.00 0.00 N ATOM 781 CA ASN A 45 7.879 5.664 12.551 1.00 0.00 C ATOM 782 C ASN A 45 8.687 4.383 12.354 1.00 0.00 C ATOM 783 O ASN A 45 8.538 3.692 11.347 1.00 0.00 O ATOM 784 CB ASN A 45 6.382 5.345 12.496 1.00 0.00 C ATOM 785 CG ASN A 45 5.585 6.461 13.164 1.00 0.00 C ATOM 786 OD1 ASN A 45 5.542 6.545 14.391 1.00 0.00 O ATOM 787 ND2 ASN A 45 4.946 7.326 12.425 1.00 0.00 N ATOM 0 H ASN A 45 7.404 7.069 11.067 1.00 0.00 H new ATOM 0 HA ASN A 45 8.126 6.085 13.525 1.00 0.00 H new ATOM 0 HB2 ASN A 45 6.064 5.230 11.460 1.00 0.00 H new ATOM 0 HB3 ASN A 45 6.185 4.397 12.996 1.00 0.00 H new ATOM 0 HD21 ASN A 45 4.409 8.074 12.864 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.983 7.254 11.408 1.00 0.00 H new ATOM 794 N GLU A 46 9.546 4.079 13.322 1.00 0.00 N ATOM 795 CA GLU A 46 10.381 2.885 13.246 1.00 0.00 C ATOM 796 C GLU A 46 9.529 1.617 13.254 1.00 0.00 C ATOM 797 O GLU A 46 9.888 0.619 12.631 1.00 0.00 O ATOM 798 CB GLU A 46 11.354 2.856 14.429 1.00 0.00 C ATOM 799 CG GLU A 46 12.085 1.510 14.463 1.00 0.00 C ATOM 800 CD GLU A 46 13.343 1.620 15.317 1.00 0.00 C ATOM 801 OE1 GLU A 46 14.319 2.168 14.833 1.00 0.00 O ATOM 802 OE2 GLU A 46 13.313 1.154 16.445 1.00 0.00 O ATOM 0 H GLU A 46 9.682 4.639 14.164 1.00 0.00 H new ATOM 0 HA GLU A 46 10.939 2.919 12.310 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.074 3.670 14.340 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.812 3.010 15.362 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.428 0.740 14.867 1.00 0.00 H new ATOM 0 HG3 GLU A 46 12.349 1.205 13.450 1.00 0.00 H new ATOM 809 N PHE A 47 8.408 1.660 13.965 1.00 0.00 N ATOM 810 CA PHE A 47 7.526 0.500 14.045 1.00 0.00 C ATOM 811 C PHE A 47 6.761 0.311 12.738 1.00 0.00 C ATOM 812 O PHE A 47 7.039 -0.611 11.972 1.00 0.00 O ATOM 813 CB PHE A 47 6.533 0.676 15.197 1.00 0.00 C ATOM 814 CG PHE A 47 7.286 0.768 16.502 1.00 0.00 C ATOM 815 CD1 PHE A 47 7.743 2.009 16.960 1.00 0.00 C ATOM 816 CD2 PHE A 47 7.522 -0.388 17.256 1.00 0.00 C ATOM 817 CE1 PHE A 47 8.439 2.094 18.172 1.00 0.00 C ATOM 818 CE2 PHE A 47 8.218 -0.303 18.468 1.00 0.00 C ATOM 819 CZ PHE A 47 8.677 0.939 18.926 1.00 0.00 C ATOM 0 H PHE A 47 8.090 2.475 14.489 1.00 0.00 H new ATOM 0 HA PHE A 47 8.139 -0.383 14.223 1.00 0.00 H new ATOM 0 HB2 PHE A 47 5.938 1.577 15.044 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.839 -0.164 15.224 1.00 0.00 H new ATOM 0 HD1 PHE A 47 7.559 2.901 16.379 1.00 0.00 H new ATOM 0 HD2 PHE A 47 7.167 -1.345 16.903 1.00 0.00 H new ATOM 0 HE1 PHE A 47 8.792 3.051 18.525 1.00 0.00 H new ATOM 0 HE2 PHE A 47 8.401 -1.194 19.050 1.00 0.00 H new ATOM 0 HZ PHE A 47 9.214 1.005 19.861 1.00 0.00 H new ATOM 829 N ALA A 48 5.794 1.190 12.495 1.00 0.00 N ATOM 830 CA ALA A 48 4.988 1.115 11.280 1.00 0.00 C ATOM 831 C ALA A 48 5.845 0.740 10.075 1.00 0.00 C ATOM 832 O ALA A 48 5.380 0.051 9.169 1.00 0.00 O ATOM 833 CB ALA A 48 4.313 2.463 11.019 1.00 0.00 C ATOM 0 H ALA A 48 5.550 1.959 13.119 1.00 0.00 H new ATOM 0 HA ALA A 48 4.232 0.343 11.424 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.713 2.400 10.111 1.00 0.00 H new ATOM 0 HB2 ALA A 48 3.670 2.717 11.862 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.074 3.234 10.898 1.00 0.00 H new ATOM 839 N ARG A 49 7.091 1.193 10.070 1.00 0.00 N ATOM 840 CA ARG A 49 7.989 0.892 8.962 1.00 0.00 C ATOM 841 C ARG A 49 8.554 -0.520 9.098 1.00 0.00 C ATOM 842 O ARG A 49 8.762 -1.216 8.104 1.00 0.00 O ATOM 843 CB ARG A 49 9.134 1.911 8.932 1.00 0.00 C ATOM 844 CG ARG A 49 9.780 1.933 7.542 1.00 0.00 C ATOM 845 CD ARG A 49 10.578 3.229 7.366 1.00 0.00 C ATOM 846 NE ARG A 49 11.664 3.024 6.414 1.00 0.00 N ATOM 847 CZ ARG A 49 12.821 2.495 6.796 1.00 0.00 C ATOM 848 NH1 ARG A 49 13.005 2.158 8.043 1.00 0.00 N ATOM 849 NH2 ARG A 49 13.775 2.313 5.923 1.00 0.00 N ATOM 0 H ARG A 49 7.500 1.763 10.810 1.00 0.00 H new ATOM 0 HA ARG A 49 7.427 0.952 8.030 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.756 2.902 9.182 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.880 1.655 9.685 1.00 0.00 H new ATOM 0 HG2 ARG A 49 10.436 1.071 7.421 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.012 1.860 6.772 1.00 0.00 H new ATOM 0 HD2 ARG A 49 9.921 4.025 7.014 1.00 0.00 H new ATOM 0 HD3 ARG A 49 10.982 3.550 8.326 1.00 0.00 H new ATOM 0 HE ARG A 49 11.533 3.291 5.438 1.00 0.00 H new ATOM 0 HH11 ARG A 49 12.260 2.301 8.725 1.00 0.00 H new ATOM 0 HH12 ARG A 49 13.894 1.752 8.336 1.00 0.00 H new ATOM 0 HH21 ARG A 49 13.632 2.577 4.948 1.00 0.00 H new ATOM 0 HH22 ARG A 49 14.664 1.907 6.216 1.00 0.00 H new ATOM 863 N ASN A 50 8.809 -0.928 10.336 1.00 0.00 N ATOM 864 CA ASN A 50 9.359 -2.251 10.603 1.00 0.00 C ATOM 865 C ASN A 50 8.499 -3.347 9.975 1.00 0.00 C ATOM 866 O ASN A 50 9.010 -4.299 9.386 1.00 0.00 O ATOM 867 CB ASN A 50 9.422 -2.479 12.115 1.00 0.00 C ATOM 868 CG ASN A 50 10.006 -3.856 12.410 1.00 0.00 C ATOM 869 OD1 ASN A 50 9.278 -4.849 12.429 1.00 0.00 O ATOM 870 ND2 ASN A 50 11.284 -3.977 12.645 1.00 0.00 N ATOM 0 H ASN A 50 8.644 -0.363 11.169 1.00 0.00 H new ATOM 0 HA ASN A 50 10.357 -2.297 10.166 1.00 0.00 H new ATOM 0 HB2 ASN A 50 10.034 -1.707 12.582 1.00 0.00 H new ATOM 0 HB3 ASN A 50 8.424 -2.398 12.545 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.681 -4.895 12.845 1.00 0.00 H new ATOM 0 HD22 ASN A 50 11.886 -3.154 12.629 1.00 0.00 H new ATOM 877 N SER A 51 7.186 -3.208 10.146 1.00 0.00 N ATOM 878 CA SER A 51 6.227 -4.187 9.640 1.00 0.00 C ATOM 879 C SER A 51 5.799 -3.895 8.199 1.00 0.00 C ATOM 880 O SER A 51 5.743 -4.799 7.368 1.00 0.00 O ATOM 881 CB SER A 51 4.989 -4.180 10.544 1.00 0.00 C ATOM 882 OG SER A 51 4.980 -5.363 11.331 1.00 0.00 O ATOM 0 H SER A 51 6.760 -2.421 10.635 1.00 0.00 H new ATOM 0 HA SER A 51 6.713 -5.163 9.646 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.999 -3.300 11.188 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.083 -4.123 9.940 1.00 0.00 H new ATOM 0 HG SER A 51 4.191 -5.363 11.912 1.00 0.00 H new ATOM 888 N LEU A 52 5.470 -2.644 7.915 1.00 0.00 N ATOM 889 CA LEU A 52 5.021 -2.278 6.575 1.00 0.00 C ATOM 890 C LEU A 52 5.947 -2.850 5.504 1.00 0.00 C ATOM 891 O LEU A 52 5.493 -3.531 4.584 1.00 0.00 O ATOM 892 CB LEU A 52 4.940 -0.753 6.440 1.00 0.00 C ATOM 893 CG LEU A 52 3.619 -0.255 7.050 1.00 0.00 C ATOM 894 CD1 LEU A 52 3.658 1.270 7.191 1.00 0.00 C ATOM 895 CD2 LEU A 52 2.439 -0.653 6.147 1.00 0.00 C ATOM 0 H LEU A 52 5.503 -1.873 8.582 1.00 0.00 H new ATOM 0 HA LEU A 52 4.029 -2.704 6.427 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.785 -0.287 6.946 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.999 -0.466 5.390 1.00 0.00 H new ATOM 0 HG LEU A 52 3.490 -0.710 8.032 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.720 1.620 7.623 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.486 1.554 7.841 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.796 1.723 6.209 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.508 -0.296 6.587 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.569 -0.207 5.161 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.403 -1.738 6.052 1.00 0.00 H new ATOM 907 N ASN A 53 7.240 -2.567 5.613 1.00 0.00 N ATOM 908 CA ASN A 53 8.193 -3.063 4.623 1.00 0.00 C ATOM 909 C ASN A 53 8.436 -4.561 4.791 1.00 0.00 C ATOM 910 O ASN A 53 9.052 -5.194 3.935 1.00 0.00 O ATOM 911 CB ASN A 53 9.517 -2.304 4.732 1.00 0.00 C ATOM 912 CG ASN A 53 10.464 -2.747 3.623 1.00 0.00 C ATOM 913 OD1 ASN A 53 10.085 -2.768 2.452 1.00 0.00 O ATOM 914 ND2 ASN A 53 11.682 -3.107 3.924 1.00 0.00 N ATOM 0 H ASN A 53 7.649 -2.007 6.362 1.00 0.00 H new ATOM 0 HA ASN A 53 7.765 -2.896 3.635 1.00 0.00 H new ATOM 0 HB2 ASN A 53 9.338 -1.231 4.661 1.00 0.00 H new ATOM 0 HB3 ASN A 53 9.972 -2.488 5.705 1.00 0.00 H new ATOM 0 HD21 ASN A 53 12.322 -3.406 3.188 1.00 0.00 H new ATOM 0 HD22 ASN A 53 11.994 -3.089 4.895 1.00 0.00 H new ATOM 921 N ASP A 54 7.944 -5.129 5.889 1.00 0.00 N ATOM 922 CA ASP A 54 8.119 -6.558 6.126 1.00 0.00 C ATOM 923 C ASP A 54 7.154 -7.360 5.260 1.00 0.00 C ATOM 924 O ASP A 54 7.454 -8.483 4.854 1.00 0.00 O ATOM 925 CB ASP A 54 7.881 -6.891 7.600 1.00 0.00 C ATOM 926 CG ASP A 54 8.215 -8.355 7.862 1.00 0.00 C ATOM 927 OD1 ASP A 54 9.182 -8.606 8.563 1.00 0.00 O ATOM 928 OD2 ASP A 54 7.499 -9.205 7.359 1.00 0.00 O ATOM 0 H ASP A 54 7.430 -4.632 6.616 1.00 0.00 H new ATOM 0 HA ASP A 54 9.143 -6.824 5.863 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.497 -6.250 8.231 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.842 -6.693 7.863 1.00 0.00 H new ATOM 933 N ASN A 55 5.993 -6.774 4.979 1.00 0.00 N ATOM 934 CA ASN A 55 4.987 -7.442 4.158 1.00 0.00 C ATOM 935 C ASN A 55 3.927 -6.447 3.693 1.00 0.00 C ATOM 936 O ASN A 55 2.746 -6.594 4.007 1.00 0.00 O ATOM 937 CB ASN A 55 4.323 -8.562 4.960 1.00 0.00 C ATOM 938 CG ASN A 55 3.287 -9.278 4.099 1.00 0.00 C ATOM 939 OD1 ASN A 55 2.100 -8.955 4.159 1.00 0.00 O ATOM 940 ND2 ASN A 55 3.666 -10.235 3.298 1.00 0.00 N ATOM 0 H ASN A 55 5.727 -5.845 5.305 1.00 0.00 H new ATOM 0 HA ASN A 55 5.480 -7.864 3.282 1.00 0.00 H new ATOM 0 HB2 ASN A 55 5.077 -9.271 5.302 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.846 -8.150 5.849 1.00 0.00 H new ATOM 0 HD21 ASN A 55 2.979 -10.718 2.719 1.00 0.00 H new ATOM 0 HD22 ASN A 55 4.650 -10.501 3.250 1.00 0.00 H new ATOM 947 N SER A 56 4.355 -5.432 2.946 1.00 0.00 N ATOM 948 CA SER A 56 3.430 -4.419 2.447 1.00 0.00 C ATOM 949 C SER A 56 2.753 -4.892 1.160 1.00 0.00 C ATOM 950 O SER A 56 1.719 -5.557 1.207 1.00 0.00 O ATOM 951 CB SER A 56 4.180 -3.106 2.191 1.00 0.00 C ATOM 952 OG SER A 56 4.037 -2.259 3.324 1.00 0.00 O ATOM 0 H SER A 56 5.328 -5.290 2.675 1.00 0.00 H new ATOM 0 HA SER A 56 2.661 -4.253 3.201 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.235 -3.306 2.002 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.785 -2.615 1.302 1.00 0.00 H new ATOM 0 HG SER A 56 4.046 -2.801 4.141 1.00 0.00 H new ATOM 958 N GLU A 57 3.336 -4.526 0.019 1.00 0.00 N ATOM 959 CA GLU A 57 2.778 -4.899 -1.280 1.00 0.00 C ATOM 960 C GLU A 57 1.488 -4.130 -1.539 1.00 0.00 C ATOM 961 O GLU A 57 0.483 -4.703 -1.959 1.00 0.00 O ATOM 962 CB GLU A 57 2.507 -6.406 -1.340 1.00 0.00 C ATOM 963 CG GLU A 57 3.766 -7.167 -0.929 1.00 0.00 C ATOM 964 CD GLU A 57 4.905 -6.840 -1.889 1.00 0.00 C ATOM 965 OE1 GLU A 57 5.581 -5.849 -1.660 1.00 0.00 O ATOM 966 OE2 GLU A 57 5.084 -7.584 -2.840 1.00 0.00 O ATOM 0 H GLU A 57 4.192 -3.973 -0.032 1.00 0.00 H new ATOM 0 HA GLU A 57 3.506 -4.645 -2.051 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.681 -6.664 -0.678 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.209 -6.693 -2.348 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.048 -6.898 0.089 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.571 -8.239 -0.933 1.00 0.00 H new ATOM 973 N ILE A 58 1.527 -2.828 -1.278 1.00 0.00 N ATOM 974 CA ILE A 58 0.359 -1.979 -1.476 1.00 0.00 C ATOM 975 C ILE A 58 -0.026 -1.920 -2.953 1.00 0.00 C ATOM 976 O ILE A 58 -0.967 -1.221 -3.331 1.00 0.00 O ATOM 977 CB ILE A 58 0.653 -0.571 -0.951 1.00 0.00 C ATOM 978 CG1 ILE A 58 1.272 -0.663 0.451 1.00 0.00 C ATOM 979 CG2 ILE A 58 -0.632 0.252 -0.892 1.00 0.00 C ATOM 980 CD1 ILE A 58 0.424 -1.578 1.337 1.00 0.00 C ATOM 0 H ILE A 58 2.352 -2.339 -0.930 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.479 -2.404 -0.924 1.00 0.00 H new ATOM 0 HB ILE A 58 1.353 -0.081 -1.628 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.289 -1.048 0.384 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.336 0.330 0.895 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.408 1.251 -0.517 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.062 0.328 -1.891 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.345 -0.234 -0.226 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.870 -1.638 2.330 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.585 -1.174 1.416 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.383 -2.574 0.897 1.00 0.00 H new ATOM 992 N ILE A 59 0.687 -2.674 -3.782 1.00 0.00 N ATOM 993 CA ILE A 59 0.386 -2.714 -5.208 1.00 0.00 C ATOM 994 C ILE A 59 -0.691 -3.764 -5.464 1.00 0.00 C ATOM 995 O ILE A 59 -1.556 -3.595 -6.319 1.00 0.00 O ATOM 996 CB ILE A 59 1.651 -3.050 -6.004 1.00 0.00 C ATOM 997 CG1 ILE A 59 1.290 -3.264 -7.477 1.00 0.00 C ATOM 998 CG2 ILE A 59 2.288 -4.324 -5.446 1.00 0.00 C ATOM 999 CD1 ILE A 59 2.570 -3.292 -8.316 1.00 0.00 C ATOM 0 H ILE A 59 1.470 -3.261 -3.495 1.00 0.00 H new ATOM 0 HA ILE A 59 0.024 -1.738 -5.530 1.00 0.00 H new ATOM 0 HB ILE A 59 2.358 -2.225 -5.919 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.743 -4.199 -7.597 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.634 -2.465 -7.822 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.188 -4.560 -6.015 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.550 -4.171 -4.399 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.581 -5.150 -5.526 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.314 -3.444 -9.365 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.099 -2.345 -8.205 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.210 -4.107 -7.977 1.00 0.00 H new ATOM 1011 N HIS A 60 -0.631 -4.837 -4.683 1.00 0.00 N ATOM 1012 CA HIS A 60 -1.599 -5.928 -4.773 1.00 0.00 C ATOM 1013 C HIS A 60 -3.035 -5.406 -4.837 1.00 0.00 C ATOM 1014 O HIS A 60 -3.953 -6.165 -5.147 1.00 0.00 O ATOM 1015 CB HIS A 60 -1.443 -6.835 -3.545 1.00 0.00 C ATOM 1016 CG HIS A 60 -0.411 -7.894 -3.825 1.00 0.00 C ATOM 1017 ND1 HIS A 60 0.893 -7.583 -4.175 1.00 0.00 N ATOM 1018 CD2 HIS A 60 -0.478 -9.266 -3.810 1.00 0.00 C ATOM 1019 CE1 HIS A 60 1.552 -8.742 -4.356 1.00 0.00 C ATOM 1020 NE2 HIS A 60 0.762 -9.799 -4.146 1.00 0.00 N ATOM 0 H HIS A 60 0.087 -4.976 -3.972 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.403 -6.484 -5.690 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.145 -6.243 -2.679 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -2.398 -7.300 -3.300 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -1.360 -9.843 -3.573 1.00 0.00 H new ATOM 0 HE1 HIS A 60 2.593 -8.810 -4.637 1.00 0.00 H new ATOM 0 HE2 HIS A 60 1.014 -10.785 -4.217 1.00 0.00 H new ATOM 1029 N LEU A 61 -3.236 -4.124 -4.549 1.00 0.00 N ATOM 1030 CA LEU A 61 -4.584 -3.551 -4.588 1.00 0.00 C ATOM 1031 C LEU A 61 -4.586 -2.250 -5.386 1.00 0.00 C ATOM 1032 O LEU A 61 -5.431 -2.044 -6.257 1.00 0.00 O ATOM 1033 CB LEU A 61 -5.086 -3.280 -3.160 1.00 0.00 C ATOM 1034 CG LEU A 61 -4.208 -4.023 -2.148 1.00 0.00 C ATOM 1035 CD1 LEU A 61 -2.843 -3.329 -2.035 1.00 0.00 C ATOM 1036 CD2 LEU A 61 -4.902 -4.022 -0.783 1.00 0.00 C ATOM 0 H LEU A 61 -2.499 -3.469 -4.290 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.248 -4.266 -5.073 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.066 -2.210 -2.955 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.122 -3.604 -3.062 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.058 -5.050 -2.481 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.223 -3.861 -1.314 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.352 -3.332 -3.008 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.984 -2.301 -1.703 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.281 -4.550 -0.059 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.052 -2.994 -0.452 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.867 -4.521 -0.865 1.00 0.00 H new ATOM 1048 N ALA A 62 -3.640 -1.377 -5.071 1.00 0.00 N ATOM 1049 CA ALA A 62 -3.537 -0.091 -5.748 1.00 0.00 C ATOM 1050 C ALA A 62 -3.411 -0.262 -7.262 1.00 0.00 C ATOM 1051 O ALA A 62 -3.658 0.679 -8.017 1.00 0.00 O ATOM 1052 CB ALA A 62 -2.321 0.669 -5.219 1.00 0.00 C ATOM 0 H ALA A 62 -2.934 -1.535 -4.352 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.449 0.471 -5.545 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -2.244 1.631 -5.726 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.432 0.831 -4.147 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.418 0.087 -5.407 1.00 0.00 H new ATOM 1058 N GLU A 63 -3.004 -1.447 -7.704 1.00 0.00 N ATOM 1059 CA GLU A 63 -2.831 -1.686 -9.134 1.00 0.00 C ATOM 1060 C GLU A 63 -4.151 -1.533 -9.887 1.00 0.00 C ATOM 1061 O GLU A 63 -4.211 -1.750 -11.097 1.00 0.00 O ATOM 1062 CB GLU A 63 -2.259 -3.089 -9.372 1.00 0.00 C ATOM 1063 CG GLU A 63 -3.236 -4.152 -8.847 1.00 0.00 C ATOM 1064 CD GLU A 63 -3.025 -5.469 -9.591 1.00 0.00 C ATOM 1065 OE1 GLU A 63 -3.298 -5.505 -10.780 1.00 0.00 O ATOM 1066 OE2 GLU A 63 -2.594 -6.420 -8.960 1.00 0.00 O ATOM 0 H GLU A 63 -2.791 -2.245 -7.106 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.132 -0.940 -9.513 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.080 -3.242 -10.436 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.297 -3.188 -8.870 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.084 -4.301 -7.778 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.263 -3.811 -8.979 1.00 0.00 H new ATOM 1073 N SER A 64 -5.210 -1.167 -9.168 1.00 0.00 N ATOM 1074 CA SER A 64 -6.522 -1.004 -9.790 1.00 0.00 C ATOM 1075 C SER A 64 -6.785 0.457 -10.147 1.00 0.00 C ATOM 1076 O SER A 64 -6.834 0.815 -11.324 1.00 0.00 O ATOM 1077 CB SER A 64 -7.615 -1.505 -8.845 1.00 0.00 C ATOM 1078 OG SER A 64 -7.450 -2.901 -8.638 1.00 0.00 O ATOM 0 H SER A 64 -5.187 -0.980 -8.166 1.00 0.00 H new ATOM 0 HA SER A 64 -6.534 -1.591 -10.708 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.561 -0.975 -7.894 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.599 -1.302 -9.268 1.00 0.00 H new ATOM 0 HG SER A 64 -6.800 -3.051 -7.920 1.00 0.00 H new ATOM 1084 N LEU A 65 -6.970 1.292 -9.128 1.00 0.00 N ATOM 1085 CA LEU A 65 -7.243 2.710 -9.350 1.00 0.00 C ATOM 1086 C LEU A 65 -6.418 3.248 -10.517 1.00 0.00 C ATOM 1087 O LEU A 65 -6.789 4.239 -11.145 1.00 0.00 O ATOM 1088 CB LEU A 65 -6.931 3.511 -8.081 1.00 0.00 C ATOM 1089 CG LEU A 65 -7.381 4.966 -8.259 1.00 0.00 C ATOM 1090 CD1 LEU A 65 -8.909 5.032 -8.388 1.00 0.00 C ATOM 1091 CD2 LEU A 65 -6.936 5.781 -7.042 1.00 0.00 C ATOM 0 H LEU A 65 -6.936 1.015 -8.147 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.300 2.819 -9.595 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.439 3.066 -7.225 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.862 3.475 -7.871 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.931 5.375 -9.164 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.219 6.069 -8.514 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.227 4.451 -9.254 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -9.368 4.623 -7.488 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.253 6.817 -7.162 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.388 5.366 -6.141 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.850 5.742 -6.955 1.00 0.00 H new ATOM 1103 N TYR A 66 -5.302 2.585 -10.806 1.00 0.00 N ATOM 1104 CA TYR A 66 -4.434 3.002 -11.906 1.00 0.00 C ATOM 1105 C TYR A 66 -4.338 1.897 -12.951 1.00 0.00 C ATOM 1106 O TYR A 66 -5.010 0.871 -12.849 1.00 0.00 O ATOM 1107 CB TYR A 66 -3.029 3.314 -11.382 1.00 0.00 C ATOM 1108 CG TYR A 66 -3.104 4.319 -10.255 1.00 0.00 C ATOM 1109 CD1 TYR A 66 -2.716 5.647 -10.475 1.00 0.00 C ATOM 1110 CD2 TYR A 66 -3.548 3.920 -8.988 1.00 0.00 C ATOM 1111 CE1 TYR A 66 -2.776 6.577 -9.429 1.00 0.00 C ATOM 1112 CE2 TYR A 66 -3.608 4.852 -7.942 1.00 0.00 C ATOM 1113 CZ TYR A 66 -3.222 6.179 -8.163 1.00 0.00 C ATOM 1114 OH TYR A 66 -3.282 7.094 -7.133 1.00 0.00 O ATOM 0 H TYR A 66 -4.978 1.762 -10.298 1.00 0.00 H new ATOM 0 HA TYR A 66 -4.862 3.896 -12.359 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -2.552 2.399 -11.032 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -2.411 3.707 -12.189 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -2.371 5.954 -11.451 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.844 2.896 -8.817 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.478 7.601 -9.599 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -3.952 4.546 -6.965 1.00 0.00 H new ATOM 0 HH TYR A 66 -3.614 6.653 -6.323 1.00 0.00 H new ATOM 1124 N GLU A 67 -3.493 2.110 -13.955 1.00 0.00 N ATOM 1125 CA GLU A 67 -3.312 1.122 -15.011 1.00 0.00 C ATOM 1126 C GLU A 67 -2.572 -0.097 -14.472 1.00 0.00 C ATOM 1127 O GLU A 67 -2.903 -1.235 -14.806 1.00 0.00 O ATOM 1128 CB GLU A 67 -2.517 1.733 -16.167 1.00 0.00 C ATOM 1129 CG GLU A 67 -3.217 3.002 -16.655 1.00 0.00 C ATOM 1130 CD GLU A 67 -2.567 3.492 -17.944 1.00 0.00 C ATOM 1131 OE1 GLU A 67 -1.791 4.431 -17.872 1.00 0.00 O ATOM 1132 OE2 GLU A 67 -2.854 2.921 -18.984 1.00 0.00 O ATOM 0 H GLU A 67 -2.927 2.952 -14.059 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.293 0.813 -15.371 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.503 1.967 -15.841 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.432 1.015 -16.983 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.275 2.802 -16.825 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.158 3.777 -15.891 1.00 0.00 H new ATOM 1139 N GLY A 68 -1.569 0.152 -13.638 1.00 0.00 N ATOM 1140 CA GLY A 68 -0.784 -0.930 -13.055 1.00 0.00 C ATOM 1141 C GLY A 68 0.422 -0.377 -12.303 1.00 0.00 C ATOM 1142 O GLY A 68 1.546 -0.405 -12.805 1.00 0.00 O ATOM 0 H GLY A 68 -1.281 1.088 -13.351 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.407 -1.512 -12.376 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.449 -1.607 -13.841 1.00 0.00 H new ATOM 1146 N ILE A 69 0.181 0.125 -11.096 1.00 0.00 N ATOM 1147 CA ILE A 69 1.255 0.686 -10.280 1.00 0.00 C ATOM 1148 C ILE A 69 2.504 -0.186 -10.363 1.00 0.00 C ATOM 1149 O ILE A 69 2.416 -1.413 -10.399 1.00 0.00 O ATOM 1150 CB ILE A 69 0.805 0.790 -8.817 1.00 0.00 C ATOM 1151 CG1 ILE A 69 -0.275 1.876 -8.681 1.00 0.00 C ATOM 1152 CG2 ILE A 69 2.006 1.137 -7.930 1.00 0.00 C ATOM 1153 CD1 ILE A 69 0.373 3.251 -8.479 1.00 0.00 C ATOM 0 H ILE A 69 -0.742 0.156 -10.662 1.00 0.00 H new ATOM 0 HA ILE A 69 1.490 1.680 -10.661 1.00 0.00 H new ATOM 0 HB ILE A 69 0.391 -0.167 -8.500 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.901 1.889 -9.573 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.927 1.646 -7.838 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.682 1.210 -6.892 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.762 0.357 -8.020 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.428 2.091 -8.246 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.404 4.009 -8.384 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.979 3.238 -7.573 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.005 3.485 -9.336 1.00 0.00 H new ATOM 1165 N LYS A 70 3.665 0.460 -10.378 1.00 0.00 N ATOM 1166 CA LYS A 70 4.929 -0.261 -10.440 1.00 0.00 C ATOM 1167 C LYS A 70 5.298 -0.789 -9.060 1.00 0.00 C ATOM 1168 O LYS A 70 5.816 -1.898 -8.924 1.00 0.00 O ATOM 1169 CB LYS A 70 6.038 0.667 -10.932 1.00 0.00 C ATOM 1170 CG LYS A 70 5.658 1.255 -12.298 1.00 0.00 C ATOM 1171 CD LYS A 70 6.921 1.460 -13.140 1.00 0.00 C ATOM 1172 CE LYS A 70 6.562 2.192 -14.433 1.00 0.00 C ATOM 1173 NZ LYS A 70 7.811 2.599 -15.136 1.00 0.00 N ATOM 0 H LYS A 70 3.756 1.475 -10.348 1.00 0.00 H new ATOM 0 HA LYS A 70 4.818 -1.096 -11.132 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.198 1.470 -10.212 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.976 0.117 -11.011 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.970 0.586 -12.814 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.140 2.205 -12.165 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.656 2.035 -12.577 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.377 0.497 -13.370 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.964 1.546 -15.076 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.955 3.069 -14.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.568 3.097 -16.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.365 3.230 -14.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.374 1.754 -15.361 1.00 0.00 H new ATOM 1187 N SER A 71 5.024 0.016 -8.037 1.00 0.00 N ATOM 1188 CA SER A 71 5.328 -0.377 -6.668 1.00 0.00 C ATOM 1189 C SER A 71 4.899 0.706 -5.680 1.00 0.00 C ATOM 1190 O SER A 71 4.360 1.742 -6.065 1.00 0.00 O ATOM 1191 CB SER A 71 6.828 -0.638 -6.521 1.00 0.00 C ATOM 1192 OG SER A 71 7.550 0.399 -7.173 1.00 0.00 O ATOM 0 H SER A 71 4.595 0.937 -8.130 1.00 0.00 H new ATOM 0 HA SER A 71 4.774 -1.289 -6.446 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.100 -0.679 -5.466 1.00 0.00 H new ATOM 0 HB3 SER A 71 7.085 -1.604 -6.955 1.00 0.00 H new ATOM 0 HG SER A 71 8.512 0.236 -7.080 1.00 0.00 H new ATOM 1198 N VAL A 72 5.161 0.446 -4.406 1.00 0.00 N ATOM 1199 CA VAL A 72 4.825 1.379 -3.333 1.00 0.00 C ATOM 1200 C VAL A 72 5.844 1.225 -2.211 1.00 0.00 C ATOM 1201 O VAL A 72 6.370 0.133 -1.993 1.00 0.00 O ATOM 1202 CB VAL A 72 3.419 1.087 -2.800 1.00 0.00 C ATOM 1203 CG1 VAL A 72 3.009 2.160 -1.786 1.00 0.00 C ATOM 1204 CG2 VAL A 72 2.420 1.071 -3.960 1.00 0.00 C ATOM 0 H VAL A 72 5.610 -0.412 -4.086 1.00 0.00 H new ATOM 0 HA VAL A 72 4.846 2.399 -3.717 1.00 0.00 H new ATOM 0 HB VAL A 72 3.421 0.114 -2.309 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.008 1.944 -1.413 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.714 2.163 -0.954 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.013 3.137 -2.269 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.421 0.863 -3.577 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.423 2.041 -4.457 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.703 0.297 -4.674 1.00 0.00 H new ATOM 1214 N ASN A 73 6.136 2.316 -1.509 1.00 0.00 N ATOM 1215 CA ASN A 73 7.116 2.243 -0.431 1.00 0.00 C ATOM 1216 C ASN A 73 7.057 3.453 0.498 1.00 0.00 C ATOM 1217 O ASN A 73 6.799 4.583 0.075 1.00 0.00 O ATOM 1218 CB ASN A 73 8.522 2.128 -1.022 1.00 0.00 C ATOM 1219 CG ASN A 73 9.489 1.587 0.026 1.00 0.00 C ATOM 1220 OD1 ASN A 73 10.114 2.360 0.754 1.00 0.00 O ATOM 1221 ND2 ASN A 73 9.650 0.298 0.147 1.00 0.00 N ATOM 0 H ASN A 73 5.722 3.236 -1.660 1.00 0.00 H new ATOM 0 HA ASN A 73 6.876 1.361 0.163 1.00 0.00 H new ATOM 0 HB2 ASN A 73 8.507 1.468 -1.889 1.00 0.00 H new ATOM 0 HB3 ASN A 73 8.860 3.104 -1.370 1.00 0.00 H new ATOM 0 HD21 ASN A 73 10.295 -0.072 0.846 1.00 0.00 H new ATOM 0 HD22 ASN A 73 9.131 -0.340 -0.457 1.00 0.00 H new ATOM 1228 N PHE A 74 7.329 3.184 1.773 1.00 0.00 N ATOM 1229 CA PHE A 74 7.347 4.213 2.804 1.00 0.00 C ATOM 1230 C PHE A 74 8.756 4.313 3.376 1.00 0.00 C ATOM 1231 O PHE A 74 9.437 3.299 3.533 1.00 0.00 O ATOM 1232 CB PHE A 74 6.369 3.850 3.923 1.00 0.00 C ATOM 1233 CG PHE A 74 5.038 3.446 3.334 1.00 0.00 C ATOM 1234 CD1 PHE A 74 3.933 4.296 3.457 1.00 0.00 C ATOM 1235 CD2 PHE A 74 4.908 2.221 2.669 1.00 0.00 C ATOM 1236 CE1 PHE A 74 2.698 3.923 2.915 1.00 0.00 C ATOM 1237 CE2 PHE A 74 3.671 1.847 2.126 1.00 0.00 C ATOM 1238 CZ PHE A 74 2.567 2.699 2.250 1.00 0.00 C ATOM 0 H PHE A 74 7.542 2.248 2.118 1.00 0.00 H new ATOM 0 HA PHE A 74 7.050 5.168 2.370 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.774 3.034 4.521 1.00 0.00 H new ATOM 0 HB3 PHE A 74 6.237 4.700 4.592 1.00 0.00 H new ATOM 0 HD1 PHE A 74 4.034 5.241 3.971 1.00 0.00 H new ATOM 0 HD2 PHE A 74 5.760 1.564 2.574 1.00 0.00 H new ATOM 0 HE1 PHE A 74 1.846 4.580 3.010 1.00 0.00 H new ATOM 0 HE2 PHE A 74 3.570 0.902 1.612 1.00 0.00 H new ATOM 0 HZ PHE A 74 1.614 2.411 1.832 1.00 0.00 H new ATOM 1248 N VAL A 75 9.202 5.528 3.677 1.00 0.00 N ATOM 1249 CA VAL A 75 10.545 5.710 4.217 1.00 0.00 C ATOM 1250 C VAL A 75 10.573 6.815 5.268 1.00 0.00 C ATOM 1251 O VAL A 75 9.529 7.245 5.758 1.00 0.00 O ATOM 1252 CB VAL A 75 11.516 6.037 3.083 1.00 0.00 C ATOM 1253 CG1 VAL A 75 11.356 5.009 1.961 1.00 0.00 C ATOM 1254 CG2 VAL A 75 11.215 7.435 2.535 1.00 0.00 C ATOM 0 H VAL A 75 8.665 6.387 3.559 1.00 0.00 H new ATOM 0 HA VAL A 75 10.850 4.781 4.700 1.00 0.00 H new ATOM 0 HB VAL A 75 12.537 6.007 3.464 1.00 0.00 H new ATOM 0 HG11 VAL A 75 12.049 5.242 1.152 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.571 4.013 2.347 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.334 5.039 1.583 1.00 0.00 H new ATOM 0 HG21 VAL A 75 11.909 7.666 1.727 1.00 0.00 H new ATOM 0 HG22 VAL A 75 10.193 7.465 2.156 1.00 0.00 H new ATOM 0 HG23 VAL A 75 11.329 8.170 3.332 1.00 0.00 H new ATOM 1264 N ASN A 76 11.778 7.259 5.624 1.00 0.00 N ATOM 1265 CA ASN A 76 11.935 8.302 6.638 1.00 0.00 C ATOM 1266 C ASN A 76 12.150 9.674 6.002 1.00 0.00 C ATOM 1267 O ASN A 76 12.569 9.785 4.849 1.00 0.00 O ATOM 1268 CB ASN A 76 13.122 7.968 7.549 1.00 0.00 C ATOM 1269 CG ASN A 76 13.335 6.459 7.598 1.00 0.00 C ATOM 1270 OD1 ASN A 76 13.881 5.854 6.578 1.00 0.00 O flip ATOM 1271 ND2 ASN A 76 12.995 5.814 8.590 1.00 0.00 N flip ATOM 0 H ASN A 76 12.654 6.916 5.229 1.00 0.00 H new ATOM 0 HA ASN A 76 11.017 8.339 7.224 1.00 0.00 H new ATOM 0 HB2 ASN A 76 14.023 8.459 7.181 1.00 0.00 H new ATOM 0 HB3 ASN A 76 12.939 8.350 8.553 1.00 0.00 H new ATOM 0 HD21 ASN A 76 12.569 6.289 9.386 1.00 0.00 H new ATOM 0 HD22 ASN A 76 13.140 4.805 8.616 1.00 0.00 H new ATOM 1278 N GLU A 77 11.844 10.712 6.772 1.00 0.00 N ATOM 1279 CA GLU A 77 11.980 12.091 6.310 1.00 0.00 C ATOM 1280 C GLU A 77 13.220 12.291 5.440 1.00 0.00 C ATOM 1281 O GLU A 77 13.140 12.920 4.386 1.00 0.00 O ATOM 1282 CB GLU A 77 12.043 13.035 7.514 1.00 0.00 C ATOM 1283 CG GLU A 77 13.133 12.569 8.482 1.00 0.00 C ATOM 1284 CD GLU A 77 12.975 13.277 9.824 1.00 0.00 C ATOM 1285 OE1 GLU A 77 13.986 13.642 10.401 1.00 0.00 O ATOM 1286 OE2 GLU A 77 11.846 13.444 10.254 1.00 0.00 O ATOM 0 H GLU A 77 11.497 10.624 7.727 1.00 0.00 H new ATOM 0 HA GLU A 77 11.107 12.317 5.697 1.00 0.00 H new ATOM 0 HB2 GLU A 77 12.251 14.052 7.180 1.00 0.00 H new ATOM 0 HB3 GLU A 77 11.078 13.057 8.021 1.00 0.00 H new ATOM 0 HG2 GLU A 77 13.070 11.490 8.621 1.00 0.00 H new ATOM 0 HG3 GLU A 77 14.117 12.780 8.064 1.00 0.00 H new ATOM 1293 N GLN A 78 14.363 11.776 5.880 1.00 0.00 N ATOM 1294 CA GLN A 78 15.595 11.944 5.111 1.00 0.00 C ATOM 1295 C GLN A 78 15.554 11.121 3.824 1.00 0.00 C ATOM 1296 O GLN A 78 15.873 11.628 2.751 1.00 0.00 O ATOM 1297 CB GLN A 78 16.810 11.546 5.955 1.00 0.00 C ATOM 1298 CG GLN A 78 17.204 12.711 6.867 1.00 0.00 C ATOM 1299 CD GLN A 78 18.380 12.309 7.750 1.00 0.00 C ATOM 1300 OE1 GLN A 78 18.185 11.733 8.821 1.00 0.00 O ATOM 1301 NE2 GLN A 78 19.597 12.578 7.364 1.00 0.00 N ATOM 0 H GLN A 78 14.465 11.249 6.747 1.00 0.00 H new ATOM 0 HA GLN A 78 15.683 12.996 4.841 1.00 0.00 H new ATOM 0 HB2 GLN A 78 16.577 10.665 6.553 1.00 0.00 H new ATOM 0 HB3 GLN A 78 17.645 11.280 5.307 1.00 0.00 H new ATOM 0 HG2 GLN A 78 17.471 13.580 6.266 1.00 0.00 H new ATOM 0 HG3 GLN A 78 16.356 13.001 7.487 1.00 0.00 H new ATOM 0 HE21 GLN A 78 19.757 13.055 6.477 1.00 0.00 H new ATOM 0 HE22 GLN A 78 20.388 12.311 7.949 1.00 0.00 H new ATOM 1310 N ASP A 79 15.160 9.861 3.925 1.00 0.00 N ATOM 1311 CA ASP A 79 15.088 9.017 2.738 1.00 0.00 C ATOM 1312 C ASP A 79 14.266 9.713 1.653 1.00 0.00 C ATOM 1313 O ASP A 79 14.784 10.062 0.587 1.00 0.00 O ATOM 1314 CB ASP A 79 14.451 7.674 3.095 1.00 0.00 C ATOM 1315 CG ASP A 79 15.508 6.716 3.635 1.00 0.00 C ATOM 1316 OD1 ASP A 79 15.973 6.940 4.741 1.00 0.00 O ATOM 1317 OD2 ASP A 79 15.837 5.772 2.935 1.00 0.00 O ATOM 0 H ASP A 79 14.890 9.405 4.797 1.00 0.00 H new ATOM 0 HA ASP A 79 16.096 8.844 2.362 1.00 0.00 H new ATOM 0 HB2 ASP A 79 13.669 7.821 3.840 1.00 0.00 H new ATOM 0 HB3 ASP A 79 13.976 7.243 2.214 1.00 0.00 H new ATOM 1322 N PHE A 80 12.986 9.936 1.936 1.00 0.00 N ATOM 1323 CA PHE A 80 12.120 10.613 0.981 1.00 0.00 C ATOM 1324 C PHE A 80 12.814 11.871 0.468 1.00 0.00 C ATOM 1325 O PHE A 80 12.710 12.215 -0.709 1.00 0.00 O ATOM 1326 CB PHE A 80 10.795 10.983 1.658 1.00 0.00 C ATOM 1327 CG PHE A 80 10.183 12.188 0.978 1.00 0.00 C ATOM 1328 CD1 PHE A 80 9.290 12.015 -0.085 1.00 0.00 C ATOM 1329 CD2 PHE A 80 10.514 13.477 1.412 1.00 0.00 C ATOM 1330 CE1 PHE A 80 8.727 13.133 -0.714 1.00 0.00 C ATOM 1331 CE2 PHE A 80 9.950 14.594 0.785 1.00 0.00 C ATOM 1332 CZ PHE A 80 9.057 14.422 -0.279 1.00 0.00 C ATOM 0 H PHE A 80 12.532 9.662 2.807 1.00 0.00 H new ATOM 0 HA PHE A 80 11.915 9.950 0.141 1.00 0.00 H new ATOM 0 HB2 PHE A 80 10.106 10.140 1.611 1.00 0.00 H new ATOM 0 HB3 PHE A 80 10.964 11.198 2.713 1.00 0.00 H new ATOM 0 HD1 PHE A 80 9.035 11.021 -0.420 1.00 0.00 H new ATOM 0 HD2 PHE A 80 11.205 13.610 2.231 1.00 0.00 H new ATOM 0 HE1 PHE A 80 8.038 13.000 -1.535 1.00 0.00 H new ATOM 0 HE2 PHE A 80 10.204 15.588 1.122 1.00 0.00 H new ATOM 0 HZ PHE A 80 8.623 15.284 -0.764 1.00 0.00 H new ATOM 1342 N PHE A 81 13.529 12.550 1.365 1.00 0.00 N ATOM 1343 CA PHE A 81 14.244 13.763 0.993 1.00 0.00 C ATOM 1344 C PHE A 81 15.326 13.438 -0.028 1.00 0.00 C ATOM 1345 O PHE A 81 15.622 14.242 -0.909 1.00 0.00 O ATOM 1346 CB PHE A 81 14.872 14.417 2.227 1.00 0.00 C ATOM 1347 CG PHE A 81 15.351 15.805 1.871 1.00 0.00 C ATOM 1348 CD1 PHE A 81 14.585 16.922 2.224 1.00 0.00 C ATOM 1349 CD2 PHE A 81 16.562 15.974 1.190 1.00 0.00 C ATOM 1350 CE1 PHE A 81 15.030 18.208 1.897 1.00 0.00 C ATOM 1351 CE2 PHE A 81 17.007 17.260 0.863 1.00 0.00 C ATOM 1352 CZ PHE A 81 16.242 18.377 1.216 1.00 0.00 C ATOM 0 H PHE A 81 13.626 12.281 2.344 1.00 0.00 H new ATOM 0 HA PHE A 81 13.533 14.462 0.552 1.00 0.00 H new ATOM 0 HB2 PHE A 81 14.143 14.468 3.036 1.00 0.00 H new ATOM 0 HB3 PHE A 81 15.706 13.814 2.587 1.00 0.00 H new ATOM 0 HD1 PHE A 81 13.650 16.791 2.749 1.00 0.00 H new ATOM 0 HD2 PHE A 81 17.153 15.112 0.917 1.00 0.00 H new ATOM 0 HE1 PHE A 81 14.439 19.070 2.170 1.00 0.00 H new ATOM 0 HE2 PHE A 81 17.942 17.390 0.338 1.00 0.00 H new ATOM 0 HZ PHE A 81 16.586 19.369 0.963 1.00 0.00 H new ATOM 1362 N PHE A 82 15.905 12.246 0.084 1.00 0.00 N ATOM 1363 CA PHE A 82 16.937 11.829 -0.854 1.00 0.00 C ATOM 1364 C PHE A 82 16.350 11.790 -2.257 1.00 0.00 C ATOM 1365 O PHE A 82 17.045 12.030 -3.245 1.00 0.00 O ATOM 1366 CB PHE A 82 17.466 10.444 -0.473 1.00 0.00 C ATOM 1367 CG PHE A 82 18.664 10.104 -1.326 1.00 0.00 C ATOM 1368 CD1 PHE A 82 19.898 10.718 -1.080 1.00 0.00 C ATOM 1369 CD2 PHE A 82 18.543 9.170 -2.362 1.00 0.00 C ATOM 1370 CE1 PHE A 82 21.009 10.400 -1.869 1.00 0.00 C ATOM 1371 CE2 PHE A 82 19.653 8.851 -3.152 1.00 0.00 C ATOM 1372 CZ PHE A 82 20.887 9.465 -2.905 1.00 0.00 C ATOM 0 H PHE A 82 15.680 11.561 0.806 1.00 0.00 H new ATOM 0 HA PHE A 82 17.763 12.539 -0.822 1.00 0.00 H new ATOM 0 HB2 PHE A 82 17.742 10.427 0.581 1.00 0.00 H new ATOM 0 HB3 PHE A 82 16.686 9.696 -0.610 1.00 0.00 H new ATOM 0 HD1 PHE A 82 19.992 11.438 -0.280 1.00 0.00 H new ATOM 0 HD2 PHE A 82 17.592 8.695 -2.552 1.00 0.00 H new ATOM 0 HE1 PHE A 82 21.960 10.875 -1.679 1.00 0.00 H new ATOM 0 HE2 PHE A 82 19.558 8.132 -3.952 1.00 0.00 H new ATOM 0 HZ PHE A 82 21.745 9.218 -3.513 1.00 0.00 H new ATOM 1382 N ASN A 83 15.055 11.492 -2.328 1.00 0.00 N ATOM 1383 CA ASN A 83 14.357 11.431 -3.612 1.00 0.00 C ATOM 1384 C ASN A 83 13.740 12.790 -3.948 1.00 0.00 C ATOM 1385 O ASN A 83 12.845 12.887 -4.788 1.00 0.00 O ATOM 1386 CB ASN A 83 13.255 10.370 -3.552 1.00 0.00 C ATOM 1387 CG ASN A 83 12.762 10.047 -4.958 1.00 0.00 C ATOM 1388 OD1 ASN A 83 13.552 9.681 -5.827 1.00 0.00 O ATOM 1389 ND2 ASN A 83 11.491 10.158 -5.234 1.00 0.00 N ATOM 0 H ASN A 83 14.470 11.290 -1.518 1.00 0.00 H new ATOM 0 HA ASN A 83 15.076 11.167 -4.388 1.00 0.00 H new ATOM 0 HB2 ASN A 83 13.635 9.467 -3.075 1.00 0.00 H new ATOM 0 HB3 ASN A 83 12.427 10.729 -2.941 1.00 0.00 H new ATOM 0 HD21 ASN A 83 11.152 9.941 -6.171 1.00 0.00 H new ATOM 0 HD22 ASN A 83 10.837 10.462 -4.512 1.00 0.00 H new ATOM 1396 N LEU A 84 14.228 13.835 -3.284 1.00 0.00 N ATOM 1397 CA LEU A 84 13.726 15.193 -3.509 1.00 0.00 C ATOM 1398 C LEU A 84 14.550 15.932 -4.564 1.00 0.00 C ATOM 1399 O LEU A 84 14.105 16.943 -5.109 1.00 0.00 O ATOM 1400 CB LEU A 84 13.761 15.981 -2.194 1.00 0.00 C ATOM 1401 CG LEU A 84 13.143 17.372 -2.387 1.00 0.00 C ATOM 1402 CD1 LEU A 84 11.707 17.248 -2.911 1.00 0.00 C ATOM 1403 CD2 LEU A 84 13.128 18.104 -1.041 1.00 0.00 C ATOM 0 H LEU A 84 14.969 13.770 -2.586 1.00 0.00 H new ATOM 0 HA LEU A 84 12.702 15.113 -3.873 1.00 0.00 H new ATOM 0 HB2 LEU A 84 13.215 15.438 -1.423 1.00 0.00 H new ATOM 0 HB3 LEU A 84 14.790 16.078 -1.848 1.00 0.00 H new ATOM 0 HG LEU A 84 13.737 17.929 -3.111 1.00 0.00 H new ATOM 0 HD11 LEU A 84 11.281 18.242 -3.043 1.00 0.00 H new ATOM 0 HD12 LEU A 84 11.713 16.725 -3.868 1.00 0.00 H new ATOM 0 HD13 LEU A 84 11.106 16.688 -2.195 1.00 0.00 H new ATOM 0 HD21 LEU A 84 12.690 19.094 -1.170 1.00 0.00 H new ATOM 0 HD22 LEU A 84 12.535 17.536 -0.324 1.00 0.00 H new ATOM 0 HD23 LEU A 84 14.148 18.204 -0.670 1.00 0.00 H new ATOM 1415 N ALA A 85 15.757 15.440 -4.837 1.00 0.00 N ATOM 1416 CA ALA A 85 16.629 16.092 -5.815 1.00 0.00 C ATOM 1417 C ALA A 85 16.673 15.325 -7.132 1.00 0.00 C ATOM 1418 O ALA A 85 16.929 15.908 -8.186 1.00 0.00 O ATOM 1419 CB ALA A 85 18.043 16.220 -5.249 1.00 0.00 C ATOM 0 H ALA A 85 16.150 14.605 -4.403 1.00 0.00 H new ATOM 0 HA ALA A 85 16.219 17.082 -6.015 1.00 0.00 H new ATOM 0 HB1 ALA A 85 18.686 16.706 -5.983 1.00 0.00 H new ATOM 0 HB2 ALA A 85 18.017 16.817 -4.337 1.00 0.00 H new ATOM 0 HB3 ALA A 85 18.436 15.229 -5.023 1.00 0.00 H new ATOM 1425 N LYS A 86 16.425 14.022 -7.077 1.00 0.00 N ATOM 1426 CA LYS A 86 16.446 13.208 -8.290 1.00 0.00 C ATOM 1427 C LYS A 86 15.733 13.936 -9.420 1.00 0.00 C ATOM 1428 O LYS A 86 16.281 14.110 -10.508 1.00 0.00 O ATOM 1429 CB LYS A 86 15.758 11.863 -8.045 1.00 0.00 C ATOM 1430 CG LYS A 86 16.326 11.209 -6.785 1.00 0.00 C ATOM 1431 CD LYS A 86 17.689 10.581 -7.091 1.00 0.00 C ATOM 1432 CE LYS A 86 18.167 9.789 -5.873 1.00 0.00 C ATOM 1433 NZ LYS A 86 18.480 10.727 -4.759 1.00 0.00 N ATOM 0 H LYS A 86 16.210 13.511 -6.221 1.00 0.00 H new ATOM 0 HA LYS A 86 17.486 13.033 -8.566 1.00 0.00 H new ATOM 0 HB2 LYS A 86 14.683 12.009 -7.936 1.00 0.00 H new ATOM 0 HB3 LYS A 86 15.906 11.208 -8.903 1.00 0.00 H new ATOM 0 HG2 LYS A 86 16.428 11.952 -5.994 1.00 0.00 H new ATOM 0 HG3 LYS A 86 15.639 10.446 -6.419 1.00 0.00 H new ATOM 0 HD2 LYS A 86 17.613 9.925 -7.958 1.00 0.00 H new ATOM 0 HD3 LYS A 86 18.412 11.358 -7.341 1.00 0.00 H new ATOM 0 HE2 LYS A 86 17.398 9.082 -5.562 1.00 0.00 H new ATOM 0 HE3 LYS A 86 19.051 9.206 -6.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 18.962 10.211 -3.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 19.099 11.486 -5.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 17.598 11.140 -4.395 1.00 0.00 H new ATOM 1447 N LEU A 87 14.505 14.362 -9.146 1.00 0.00 N ATOM 1448 CA LEU A 87 13.712 15.080 -10.140 1.00 0.00 C ATOM 1449 C LEU A 87 14.591 16.049 -10.927 1.00 0.00 C ATOM 1450 O LEU A 87 15.686 16.402 -10.490 1.00 0.00 O ATOM 1451 CB LEU A 87 12.588 15.861 -9.452 1.00 0.00 C ATOM 1452 CG LEU A 87 11.503 14.895 -8.969 1.00 0.00 C ATOM 1453 CD1 LEU A 87 12.051 14.017 -7.839 1.00 0.00 C ATOM 1454 CD2 LEU A 87 10.304 15.698 -8.455 1.00 0.00 C ATOM 0 H LEU A 87 14.038 14.224 -8.250 1.00 0.00 H new ATOM 0 HA LEU A 87 13.282 14.351 -10.826 1.00 0.00 H new ATOM 0 HB2 LEU A 87 12.988 16.424 -8.609 1.00 0.00 H new ATOM 0 HB3 LEU A 87 12.160 16.586 -10.145 1.00 0.00 H new ATOM 0 HG LEU A 87 11.193 14.258 -9.797 1.00 0.00 H new ATOM 0 HD11 LEU A 87 11.273 13.332 -7.500 1.00 0.00 H new ATOM 0 HD12 LEU A 87 12.904 13.445 -8.204 1.00 0.00 H new ATOM 0 HD13 LEU A 87 12.366 14.648 -7.008 1.00 0.00 H new ATOM 0 HD21 LEU A 87 9.529 15.014 -8.110 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.620 16.335 -7.629 1.00 0.00 H new ATOM 0 HD23 LEU A 87 9.909 16.318 -9.260 1.00 0.00 H new ATOM 1466 N GLU A 88 14.105 16.477 -12.087 1.00 0.00 N ATOM 1467 CA GLU A 88 14.860 17.406 -12.922 1.00 0.00 C ATOM 1468 C GLU A 88 13.951 18.058 -13.958 1.00 0.00 C ATOM 1469 O GLU A 88 12.966 17.463 -14.396 1.00 0.00 O ATOM 1470 CB GLU A 88 15.999 16.670 -13.631 1.00 0.00 C ATOM 1471 CG GLU A 88 16.899 17.685 -14.337 1.00 0.00 C ATOM 1472 CD GLU A 88 18.154 16.994 -14.862 1.00 0.00 C ATOM 1473 OE1 GLU A 88 18.080 15.808 -15.135 1.00 0.00 O ATOM 1474 OE2 GLU A 88 19.168 17.661 -14.982 1.00 0.00 O ATOM 0 H GLU A 88 13.201 16.199 -12.468 1.00 0.00 H new ATOM 0 HA GLU A 88 15.275 18.182 -12.280 1.00 0.00 H new ATOM 0 HB2 GLU A 88 16.578 16.094 -12.910 1.00 0.00 H new ATOM 0 HB3 GLU A 88 15.594 15.962 -14.354 1.00 0.00 H new ATOM 0 HG2 GLU A 88 16.359 18.151 -15.161 1.00 0.00 H new ATOM 0 HG3 GLU A 88 17.175 18.481 -13.646 1.00 0.00 H new ATOM 1481 N GLU A 89 14.289 19.286 -14.345 1.00 0.00 N ATOM 1482 CA GLU A 89 13.497 20.016 -15.330 1.00 0.00 C ATOM 1483 C GLU A 89 14.407 20.708 -16.342 1.00 0.00 C ATOM 1484 O GLU A 89 14.292 20.486 -17.547 1.00 0.00 O ATOM 1485 CB GLU A 89 12.625 21.060 -14.629 1.00 0.00 C ATOM 1486 CG GLU A 89 12.001 20.447 -13.372 1.00 0.00 C ATOM 1487 CD GLU A 89 11.152 19.237 -13.747 1.00 0.00 C ATOM 1488 OE1 GLU A 89 10.956 18.387 -12.893 1.00 0.00 O ATOM 1489 OE2 GLU A 89 10.708 19.179 -14.882 1.00 0.00 O ATOM 0 H GLU A 89 15.101 19.793 -13.994 1.00 0.00 H new ATOM 0 HA GLU A 89 12.860 19.305 -15.856 1.00 0.00 H new ATOM 0 HB2 GLU A 89 13.225 21.930 -14.362 1.00 0.00 H new ATOM 0 HB3 GLU A 89 11.842 21.407 -15.304 1.00 0.00 H new ATOM 0 HG2 GLU A 89 12.785 20.150 -12.675 1.00 0.00 H new ATOM 0 HG3 GLU A 89 11.386 21.189 -12.863 1.00 0.00 H new ATOM 1496 N ASN A 90 15.311 21.547 -15.843 1.00 0.00 N ATOM 1497 CA ASN A 90 16.234 22.265 -16.715 1.00 0.00 C ATOM 1498 C ASN A 90 17.265 21.311 -17.309 1.00 0.00 C ATOM 1499 O ASN A 90 17.501 20.227 -16.776 1.00 0.00 O ATOM 1500 CB ASN A 90 16.951 23.363 -15.927 1.00 0.00 C ATOM 1501 CG ASN A 90 15.939 24.191 -15.142 1.00 0.00 C ATOM 1502 OD1 ASN A 90 14.989 24.721 -15.720 1.00 0.00 O ATOM 1503 ND2 ASN A 90 16.084 24.333 -13.854 1.00 0.00 N ATOM 0 H ASN A 90 15.423 21.745 -14.849 1.00 0.00 H new ATOM 0 HA ASN A 90 15.660 22.713 -17.526 1.00 0.00 H new ATOM 0 HB2 ASN A 90 17.675 22.918 -15.245 1.00 0.00 H new ATOM 0 HB3 ASN A 90 17.508 24.006 -16.609 1.00 0.00 H new ATOM 0 HD21 ASN A 90 15.410 24.884 -13.323 1.00 0.00 H new ATOM 0 HD22 ASN A 90 16.872 23.893 -13.378 1.00 0.00 H new ATOM 1510 N SER A 91 17.876 21.721 -18.417 1.00 0.00 N ATOM 1511 CA SER A 91 18.880 20.894 -19.075 1.00 0.00 C ATOM 1512 C SER A 91 19.419 21.593 -20.320 1.00 0.00 C ATOM 1513 O SER A 91 18.776 21.595 -21.369 1.00 0.00 O ATOM 1514 CB SER A 91 18.272 19.547 -19.469 1.00 0.00 C ATOM 1515 OG SER A 91 19.102 18.922 -20.439 1.00 0.00 O ATOM 0 H SER A 91 17.695 22.614 -18.875 1.00 0.00 H new ATOM 0 HA SER A 91 19.702 20.732 -18.378 1.00 0.00 H new ATOM 0 HB2 SER A 91 18.175 18.908 -18.591 1.00 0.00 H new ATOM 0 HB3 SER A 91 17.269 19.691 -19.871 1.00 0.00 H new ATOM 0 HG SER A 91 18.716 18.058 -20.692 1.00 0.00 H new ATOM 1521 N ARG A 92 20.602 22.187 -20.194 1.00 0.00 N ATOM 1522 CA ARG A 92 21.215 22.887 -21.317 1.00 0.00 C ATOM 1523 C ARG A 92 22.681 23.191 -21.023 1.00 0.00 C ATOM 1524 O ARG A 92 23.375 23.802 -21.836 1.00 0.00 O ATOM 1525 CB ARG A 92 20.466 24.194 -21.592 1.00 0.00 C ATOM 1526 CG ARG A 92 20.218 24.928 -20.272 1.00 0.00 C ATOM 1527 CD ARG A 92 19.913 26.402 -20.552 1.00 0.00 C ATOM 1528 NE ARG A 92 18.952 26.520 -21.644 1.00 0.00 N ATOM 1529 CZ ARG A 92 18.822 27.656 -22.323 1.00 0.00 C ATOM 1530 NH1 ARG A 92 19.562 28.687 -22.018 1.00 0.00 N ATOM 1531 NH2 ARG A 92 17.955 27.740 -23.295 1.00 0.00 N ATOM 0 H ARG A 92 21.151 22.198 -19.334 1.00 0.00 H new ATOM 0 HA ARG A 92 21.157 22.244 -22.196 1.00 0.00 H new ATOM 0 HB2 ARG A 92 21.047 24.823 -22.267 1.00 0.00 H new ATOM 0 HB3 ARG A 92 19.518 23.985 -22.088 1.00 0.00 H new ATOM 0 HG2 ARG A 92 19.385 24.469 -19.740 1.00 0.00 H new ATOM 0 HG3 ARG A 92 21.093 24.844 -19.628 1.00 0.00 H new ATOM 0 HD2 ARG A 92 19.514 26.875 -19.655 1.00 0.00 H new ATOM 0 HD3 ARG A 92 20.832 26.929 -20.808 1.00 0.00 H new ATOM 0 HE ARG A 92 18.371 25.719 -21.890 1.00 0.00 H new ATOM 0 HH11 ARG A 92 20.240 28.621 -21.259 1.00 0.00 H new ATOM 0 HH12 ARG A 92 19.462 29.558 -22.539 1.00 0.00 H new ATOM 0 HH21 ARG A 92 17.377 26.934 -23.534 1.00 0.00 H new ATOM 0 HH22 ARG A 92 17.855 28.611 -23.816 1.00 0.00 H new ATOM 1545 N ASP A 93 23.146 22.761 -19.854 1.00 0.00 N ATOM 1546 CA ASP A 93 24.532 22.992 -19.462 1.00 0.00 C ATOM 1547 C ASP A 93 25.478 22.183 -20.343 1.00 0.00 C ATOM 1548 O ASP A 93 25.268 22.062 -21.550 1.00 0.00 O ATOM 1549 CB ASP A 93 24.729 22.598 -17.996 1.00 0.00 C ATOM 1550 CG ASP A 93 26.019 23.211 -17.460 1.00 0.00 C ATOM 1551 OD1 ASP A 93 26.209 23.180 -16.255 1.00 0.00 O ATOM 1552 OD2 ASP A 93 26.798 23.700 -18.262 1.00 0.00 O ATOM 0 H ASP A 93 22.588 22.255 -19.166 1.00 0.00 H new ATOM 0 HA ASP A 93 24.757 24.051 -19.587 1.00 0.00 H new ATOM 0 HB2 ASP A 93 23.881 22.938 -17.402 1.00 0.00 H new ATOM 0 HB3 ASP A 93 24.767 21.513 -17.905 1.00 0.00 H new ATOM 1557 N THR A 94 26.522 21.630 -19.732 1.00 0.00 N ATOM 1558 CA THR A 94 27.495 20.832 -20.472 1.00 0.00 C ATOM 1559 C THR A 94 27.017 19.389 -20.598 1.00 0.00 C ATOM 1560 O THR A 94 26.365 18.861 -19.697 1.00 0.00 O ATOM 1561 CB THR A 94 28.849 20.865 -19.757 1.00 0.00 C ATOM 1562 OG1 THR A 94 29.784 20.079 -20.482 1.00 0.00 O ATOM 1563 CG2 THR A 94 28.696 20.303 -18.342 1.00 0.00 C ATOM 0 H THR A 94 26.715 21.718 -18.734 1.00 0.00 H new ATOM 0 HA THR A 94 27.602 21.255 -21.471 1.00 0.00 H new ATOM 0 HB THR A 94 29.205 21.894 -19.700 1.00 0.00 H new ATOM 0 HG1 THR A 94 30.652 20.100 -20.027 1.00 0.00 H new ATOM 0 HG21 THR A 94 29.660 20.327 -17.835 1.00 0.00 H new ATOM 0 HG22 THR A 94 27.978 20.907 -17.786 1.00 0.00 H new ATOM 0 HG23 THR A 94 28.340 19.274 -18.396 1.00 0.00 H new ATOM 1571 N LEU A 95 27.345 18.756 -21.720 1.00 0.00 N ATOM 1572 CA LEU A 95 26.941 17.374 -21.949 1.00 0.00 C ATOM 1573 C LEU A 95 27.785 16.745 -23.054 1.00 0.00 C ATOM 1574 O LEU A 95 27.396 15.741 -23.651 1.00 0.00 O ATOM 1575 CB LEU A 95 25.458 17.320 -22.334 1.00 0.00 C ATOM 1576 CG LEU A 95 25.097 18.547 -23.174 1.00 0.00 C ATOM 1577 CD1 LEU A 95 26.009 18.617 -24.402 1.00 0.00 C ATOM 1578 CD2 LEU A 95 23.640 18.439 -23.630 1.00 0.00 C ATOM 0 H LEU A 95 27.884 19.174 -22.478 1.00 0.00 H new ATOM 0 HA LEU A 95 27.095 16.811 -21.029 1.00 0.00 H new ATOM 0 HB2 LEU A 95 25.251 16.409 -22.896 1.00 0.00 H new ATOM 0 HB3 LEU A 95 24.840 17.288 -21.436 1.00 0.00 H new ATOM 0 HG LEU A 95 25.228 19.447 -22.574 1.00 0.00 H new ATOM 0 HD11 LEU A 95 25.750 19.492 -24.998 1.00 0.00 H new ATOM 0 HD12 LEU A 95 27.048 18.692 -24.080 1.00 0.00 H new ATOM 0 HD13 LEU A 95 25.880 17.717 -25.003 1.00 0.00 H new ATOM 0 HD21 LEU A 95 23.380 19.312 -24.229 1.00 0.00 H new ATOM 0 HD22 LEU A 95 23.512 17.537 -24.229 1.00 0.00 H new ATOM 0 HD23 LEU A 95 22.988 18.391 -22.758 1.00 0.00 H new ATOM 1590 N TYR A 96 28.944 17.340 -23.319 1.00 0.00 N ATOM 1591 CA TYR A 96 29.835 16.827 -24.353 1.00 0.00 C ATOM 1592 C TYR A 96 30.272 15.404 -24.023 1.00 0.00 C ATOM 1593 O TYR A 96 31.349 15.187 -23.468 1.00 0.00 O ATOM 1594 CB TYR A 96 31.066 17.727 -24.473 1.00 0.00 C ATOM 1595 CG TYR A 96 31.993 17.178 -25.532 1.00 0.00 C ATOM 1596 CD1 TYR A 96 31.655 17.297 -26.886 1.00 0.00 C ATOM 1597 CD2 TYR A 96 33.188 16.549 -25.162 1.00 0.00 C ATOM 1598 CE1 TYR A 96 32.514 16.788 -27.869 1.00 0.00 C ATOM 1599 CE2 TYR A 96 34.045 16.040 -26.144 1.00 0.00 C ATOM 1600 CZ TYR A 96 33.708 16.160 -27.498 1.00 0.00 C ATOM 1601 OH TYR A 96 34.553 15.658 -28.468 1.00 0.00 O ATOM 0 H TYR A 96 29.286 18.171 -22.836 1.00 0.00 H new ATOM 0 HA TYR A 96 29.297 16.819 -25.301 1.00 0.00 H new ATOM 0 HB2 TYR A 96 30.763 18.742 -24.731 1.00 0.00 H new ATOM 0 HB3 TYR A 96 31.584 17.782 -23.515 1.00 0.00 H new ATOM 0 HD1 TYR A 96 30.733 17.781 -27.172 1.00 0.00 H new ATOM 0 HD2 TYR A 96 33.448 16.457 -24.118 1.00 0.00 H new ATOM 0 HE1 TYR A 96 32.254 16.880 -28.913 1.00 0.00 H new ATOM 0 HE2 TYR A 96 34.966 15.555 -25.858 1.00 0.00 H new ATOM 0 HH TYR A 96 35.338 15.255 -28.041 1.00 0.00 H new ATOM 1611 N GLN A 97 29.429 14.436 -24.369 1.00 0.00 N ATOM 1612 CA GLN A 97 29.738 13.036 -24.104 1.00 0.00 C ATOM 1613 C GLN A 97 28.816 12.123 -24.906 1.00 0.00 C ATOM 1614 O GLN A 97 29.277 11.289 -25.687 1.00 0.00 O ATOM 1615 CB GLN A 97 29.580 12.740 -22.612 1.00 0.00 C ATOM 1616 CG GLN A 97 29.997 11.297 -22.327 1.00 0.00 C ATOM 1617 CD GLN A 97 30.160 11.086 -20.825 1.00 0.00 C ATOM 1618 OE1 GLN A 97 29.530 11.781 -20.028 1.00 0.00 O ATOM 1619 NE2 GLN A 97 30.972 10.162 -20.390 1.00 0.00 N ATOM 0 H GLN A 97 28.533 14.594 -24.830 1.00 0.00 H new ATOM 0 HA GLN A 97 30.769 12.848 -24.404 1.00 0.00 H new ATOM 0 HB2 GLN A 97 30.192 13.428 -22.028 1.00 0.00 H new ATOM 0 HB3 GLN A 97 28.545 12.897 -22.308 1.00 0.00 H new ATOM 0 HG2 GLN A 97 29.248 10.609 -22.720 1.00 0.00 H new ATOM 0 HG3 GLN A 97 30.934 11.073 -22.837 1.00 0.00 H new ATOM 0 HE21 GLN A 97 31.493 9.588 -21.053 1.00 0.00 H new ATOM 0 HE22 GLN A 97 31.086 10.014 -19.387 1.00 0.00 H new ATOM 1628 N ASN A 98 27.512 12.287 -24.709 1.00 0.00 N ATOM 1629 CA ASN A 98 26.533 11.472 -25.419 1.00 0.00 C ATOM 1630 C ASN A 98 25.137 12.069 -25.277 1.00 0.00 C ATOM 1631 O ASN A 98 24.464 12.345 -26.270 1.00 0.00 O ATOM 1632 CB ASN A 98 26.541 10.046 -24.866 1.00 0.00 C ATOM 1633 CG ASN A 98 25.596 9.166 -25.677 1.00 0.00 C ATOM 1634 OD1 ASN A 98 25.350 9.436 -26.853 1.00 0.00 O ATOM 1635 ND2 ASN A 98 25.048 8.123 -25.117 1.00 0.00 N ATOM 0 H ASN A 98 27.111 12.972 -24.068 1.00 0.00 H new ATOM 0 HA ASN A 98 26.801 11.452 -26.475 1.00 0.00 H new ATOM 0 HB2 ASN A 98 27.551 9.639 -24.903 1.00 0.00 H new ATOM 0 HB3 ASN A 98 26.237 10.052 -23.819 1.00 0.00 H new ATOM 0 HD21 ASN A 98 24.415 7.530 -25.653 1.00 0.00 H new ATOM 0 HD22 ASN A 98 25.253 7.901 -24.143 1.00 0.00 H new ATOM 1642 N SER A 99 24.708 12.268 -24.034 1.00 0.00 N ATOM 1643 CA SER A 99 23.389 12.834 -23.774 1.00 0.00 C ATOM 1644 C SER A 99 23.245 13.202 -22.301 1.00 0.00 C ATOM 1645 O SER A 99 23.626 14.296 -21.884 1.00 0.00 O ATOM 1646 CB SER A 99 22.303 11.830 -24.159 1.00 0.00 C ATOM 1647 OG SER A 99 21.059 12.253 -23.619 1.00 0.00 O ATOM 0 H SER A 99 25.249 12.048 -23.198 1.00 0.00 H new ATOM 0 HA SER A 99 23.278 13.736 -24.375 1.00 0.00 H new ATOM 0 HB2 SER A 99 22.233 11.751 -25.244 1.00 0.00 H new ATOM 0 HB3 SER A 99 22.558 10.839 -23.783 1.00 0.00 H new ATOM 0 HG SER A 99 20.360 11.612 -23.866 1.00 0.00 H new ATOM 1653 N GLY A 100 22.694 12.280 -21.518 1.00 0.00 N ATOM 1654 CA GLY A 100 22.505 12.517 -20.091 1.00 0.00 C ATOM 1655 C GLY A 100 21.378 13.514 -19.849 1.00 0.00 C ATOM 1656 O GLY A 100 21.408 14.572 -20.458 1.00 0.00 O ATOM 1657 OXT GLY A 100 20.501 13.207 -19.059 1.00 0.00 O ATOM 0 H GLY A 100 22.373 11.368 -21.844 1.00 0.00 H new ATOM 0 HA2 GLY A 100 22.278 11.576 -19.589 1.00 0.00 H new ATOM 0 HA3 GLY A 100 23.430 12.895 -19.656 1.00 0.00 H new TER 1661 GLY A 100