USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 762 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 71 ASN : amide:sc= -4.77! C(o=-4!,f=-7.2!) USER MOD Set 1.2: A 90 SER OG : rot 70:sc= 0.743 USER MOD Set 2.1: A 78 LYS NZ :NH3+ 179:sc= 0.515 (180deg=0) USER MOD Set 2.2: A 86 THR OG1 : rot -130:sc= -2.03 USER MOD Set 3.1: A 19 ASN :FLIP amide:sc= -0.115 F(o=-2.8,f=-0.069) USER MOD Set 3.2: A 57 LYS NZ :NH3+ -176:sc= 0.0462 (180deg=0) USER MOD Set 4.1: A 35 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 38 ASN : amide:sc= -6.56! C(o=-6.6!,f=-8.7!) USER MOD Set 5.1: A 31 LYS NZ :NH3+ 156:sc= 0.0652 (180deg=0) USER MOD Set 5.2: A 33 ASN :FLIP amide:sc= -1.35 F(o=-2.8,f=-1.6) USER MOD Set 5.3: A 36 LYS NZ :NH3+ 160:sc= -0.282 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -1.64 USER MOD Single : A 21 SER OG : rot -156:sc= -4.59 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -0.158 X(o=-0.16,f=-0.008) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN :FLIP amide:sc= -0.118 F(o=-0.9,f=-0.12) USER MOD Single : A 56 SER OG : rot -170:sc= -0.707 USER MOD Single : A 64 ASN : amide:sc= -1.33 X(o=-1.3,f=-1.3) USER MOD Single : A 66 GLN :FLIP amide:sc= -1.5 F(o=-3.4!,f=-1.5) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.657 K(o=-0.66,f=-2) USER MOD Single : A 81 GLN :FLIP amide:sc= -0.026 F(o=-1,f=-0.026) USER MOD Single : A 84 MET CE :methyl -112:sc= -7.28! (180deg=-12.2!) USER MOD Single : A 91 MET CE :methyl -152:sc= -8.44! (180deg=-10.3!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 ASN :FLIP amide:sc= -4.86! C(o=-7.9!,f=-4.9!) USER MOD Single : A 97 LYS NZ :NH3+ -147:sc= 1.07 (180deg=-0.22) USER MOD Single : A 100 MET CE :methyl -145:sc= -2.14! (180deg=-4.55!) USER MOD Single : A 102 GLN : amide:sc= -0.162 X(o=-0.16,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 22 N ARG A 9 -4.433 -8.241 -11.629 1.00 0.00 N ATOM 23 CA ARG A 9 -3.238 -7.606 -11.091 1.00 0.00 C ATOM 24 C ARG A 9 -2.678 -6.570 -12.054 1.00 0.00 C ATOM 25 O ARG A 9 -2.600 -6.801 -13.261 1.00 0.00 O ATOM 26 CB ARG A 9 -2.174 -8.653 -10.774 1.00 0.00 C ATOM 27 CG ARG A 9 -2.550 -9.543 -9.604 1.00 0.00 C ATOM 28 CD ARG A 9 -1.326 -9.972 -8.811 1.00 0.00 C ATOM 29 NE ARG A 9 -1.646 -10.218 -7.407 1.00 0.00 N ATOM 30 CZ ARG A 9 -0.741 -10.223 -6.430 1.00 0.00 C ATOM 31 NH1 ARG A 9 0.539 -10.000 -6.699 1.00 0.00 N ATOM 32 NH2 ARG A 9 -1.119 -10.453 -5.179 1.00 0.00 N ATOM 0 HA ARG A 9 -3.521 -7.095 -10.171 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -2.007 -9.272 -11.656 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -1.232 -8.151 -10.554 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -3.241 -9.012 -8.949 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -3.074 -10.425 -9.971 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.906 -10.876 -9.252 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -0.560 -9.199 -8.879 1.00 0.00 H new ATOM 0 HE ARG A 9 -2.620 -10.396 -7.161 1.00 0.00 H new ATOM 0 HH11 ARG A 9 0.835 -9.823 -7.659 1.00 0.00 H new ATOM 0 HH12 ARG A 9 1.227 -10.005 -5.946 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -2.102 -10.626 -4.967 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -0.427 -10.457 -4.430 1.00 0.00 H new ATOM 46 N GLU A 10 -2.289 -5.427 -11.506 1.00 0.00 N ATOM 47 CA GLU A 10 -1.731 -4.345 -12.309 1.00 0.00 C ATOM 48 C GLU A 10 -0.998 -3.335 -11.433 1.00 0.00 C ATOM 49 O GLU A 10 -1.524 -2.881 -10.416 1.00 0.00 O ATOM 50 CB GLU A 10 -2.839 -3.644 -13.097 1.00 0.00 C ATOM 51 CG GLU A 10 -3.904 -3.008 -12.218 1.00 0.00 C ATOM 52 CD GLU A 10 -4.900 -2.184 -13.010 1.00 0.00 C ATOM 53 OE1 GLU A 10 -4.565 -1.777 -14.143 1.00 0.00 O ATOM 54 OE2 GLU A 10 -6.013 -1.946 -12.498 1.00 0.00 O ATOM 0 H GLU A 10 -2.349 -5.224 -10.508 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.015 -4.778 -13.007 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.393 -2.875 -13.727 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.313 -4.366 -13.762 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.435 -3.790 -11.675 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.423 -2.373 -11.474 1.00 0.00 H new ATOM 61 N PHE A 11 0.220 -2.986 -11.836 1.00 0.00 N ATOM 62 CA PHE A 11 1.027 -2.027 -11.090 1.00 0.00 C ATOM 63 C PHE A 11 0.611 -0.598 -11.431 1.00 0.00 C ATOM 64 O PHE A 11 0.257 -0.302 -12.571 1.00 0.00 O ATOM 65 CB PHE A 11 2.511 -2.226 -11.399 1.00 0.00 C ATOM 66 CG PHE A 11 3.046 -3.555 -10.948 1.00 0.00 C ATOM 67 CD1 PHE A 11 2.742 -4.712 -11.648 1.00 0.00 C ATOM 68 CD2 PHE A 11 3.852 -3.646 -9.824 1.00 0.00 C ATOM 69 CE1 PHE A 11 3.232 -5.936 -11.233 1.00 0.00 C ATOM 70 CE2 PHE A 11 4.345 -4.868 -9.406 1.00 0.00 C ATOM 71 CZ PHE A 11 4.035 -6.014 -10.112 1.00 0.00 C ATOM 0 H PHE A 11 0.670 -3.353 -12.675 1.00 0.00 H new ATOM 0 HA PHE A 11 0.862 -2.195 -10.026 1.00 0.00 H new ATOM 0 HB2 PHE A 11 2.666 -2.127 -12.473 1.00 0.00 H new ATOM 0 HB3 PHE A 11 3.083 -1.432 -10.920 1.00 0.00 H new ATOM 0 HD1 PHE A 11 2.116 -4.657 -12.526 1.00 0.00 H new ATOM 0 HD2 PHE A 11 4.097 -2.753 -9.269 1.00 0.00 H new ATOM 0 HE1 PHE A 11 2.987 -6.831 -11.785 1.00 0.00 H new ATOM 0 HE2 PHE A 11 4.972 -4.927 -8.528 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.420 -6.970 -9.788 1.00 0.00 H new ATOM 81 N LEU A 12 0.650 0.281 -10.434 1.00 0.00 N ATOM 82 CA LEU A 12 0.269 1.674 -10.638 1.00 0.00 C ATOM 83 C LEU A 12 1.211 2.617 -9.899 1.00 0.00 C ATOM 84 O LEU A 12 1.631 2.341 -8.775 1.00 0.00 O ATOM 85 CB LEU A 12 -1.168 1.908 -10.170 1.00 0.00 C ATOM 86 CG LEU A 12 -2.144 0.771 -10.473 1.00 0.00 C ATOM 87 CD1 LEU A 12 -3.269 0.744 -9.447 1.00 0.00 C ATOM 88 CD2 LEU A 12 -2.707 0.913 -11.879 1.00 0.00 C ATOM 0 H LEU A 12 0.940 0.055 -9.482 1.00 0.00 H new ATOM 0 HA LEU A 12 0.338 1.884 -11.705 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.159 2.081 -9.094 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.541 2.820 -10.636 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.602 -0.173 -10.413 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.954 -0.072 -9.679 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.850 0.594 -8.452 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.809 1.690 -9.475 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.400 0.095 -12.078 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.233 1.864 -11.966 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.892 0.882 -12.602 1.00 0.00 H new ATOM 100 N THR A 13 1.529 3.738 -10.538 1.00 0.00 N ATOM 101 CA THR A 13 2.411 4.737 -9.946 1.00 0.00 C ATOM 102 C THR A 13 1.609 5.957 -9.508 1.00 0.00 C ATOM 103 O THR A 13 0.745 6.436 -10.242 1.00 0.00 O ATOM 104 CB THR A 13 3.490 5.155 -10.944 1.00 0.00 C ATOM 105 OG1 THR A 13 4.115 4.019 -11.516 1.00 0.00 O ATOM 106 CG2 THR A 13 4.572 6.014 -10.326 1.00 0.00 C ATOM 0 H THR A 13 1.188 3.978 -11.469 1.00 0.00 H new ATOM 0 HA THR A 13 2.892 4.297 -9.072 1.00 0.00 H new ATOM 0 HB THR A 13 2.971 5.741 -11.703 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.801 4.309 -12.153 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.307 6.277 -11.087 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.128 6.923 -9.921 1.00 0.00 H new ATOM 0 HG23 THR A 13 5.062 5.461 -9.524 1.00 0.00 H new ATOM 114 N PHE A 14 1.889 6.454 -8.308 1.00 0.00 N ATOM 115 CA PHE A 14 1.173 7.613 -7.788 1.00 0.00 C ATOM 116 C PHE A 14 2.120 8.624 -7.149 1.00 0.00 C ATOM 117 O PHE A 14 2.958 8.273 -6.317 1.00 0.00 O ATOM 118 CB PHE A 14 0.122 7.169 -6.769 1.00 0.00 C ATOM 119 CG PHE A 14 -0.847 6.156 -7.308 1.00 0.00 C ATOM 120 CD1 PHE A 14 -1.416 6.320 -8.562 1.00 0.00 C ATOM 121 CD2 PHE A 14 -1.189 5.041 -6.561 1.00 0.00 C ATOM 122 CE1 PHE A 14 -2.307 5.388 -9.060 1.00 0.00 C ATOM 123 CE2 PHE A 14 -2.081 4.107 -7.054 1.00 0.00 C ATOM 124 CZ PHE A 14 -2.640 4.281 -8.304 1.00 0.00 C ATOM 0 H PHE A 14 2.600 6.076 -7.682 1.00 0.00 H new ATOM 0 HA PHE A 14 0.682 8.101 -8.630 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.626 6.750 -5.898 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.432 8.043 -6.426 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.160 7.185 -9.156 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -0.754 4.900 -5.583 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.742 5.525 -10.039 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.340 3.242 -6.462 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.337 3.552 -8.691 1.00 0.00 H new ATOM 134 N GLU A 15 1.962 9.886 -7.535 1.00 0.00 N ATOM 135 CA GLU A 15 2.781 10.967 -6.996 1.00 0.00 C ATOM 136 C GLU A 15 1.984 11.760 -5.965 1.00 0.00 C ATOM 137 O GLU A 15 1.045 12.477 -6.310 1.00 0.00 O ATOM 138 CB GLU A 15 3.249 11.893 -8.121 1.00 0.00 C ATOM 139 CG GLU A 15 3.674 11.157 -9.381 1.00 0.00 C ATOM 140 CD GLU A 15 2.539 11.000 -10.374 1.00 0.00 C ATOM 141 OE1 GLU A 15 1.584 10.254 -10.072 1.00 0.00 O ATOM 142 OE2 GLU A 15 2.606 11.621 -11.456 1.00 0.00 O ATOM 0 H GLU A 15 1.271 10.187 -8.222 1.00 0.00 H new ATOM 0 HA GLU A 15 3.657 10.534 -6.513 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.444 12.585 -8.369 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.085 12.493 -7.762 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.494 11.697 -9.854 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.055 10.172 -9.111 1.00 0.00 H new ATOM 149 N VAL A 16 2.352 11.614 -4.697 1.00 0.00 N ATOM 150 CA VAL A 16 1.654 12.305 -3.618 1.00 0.00 C ATOM 151 C VAL A 16 2.418 13.547 -3.163 1.00 0.00 C ATOM 152 O VAL A 16 3.453 13.440 -2.507 1.00 0.00 O ATOM 153 CB VAL A 16 1.426 11.381 -2.401 1.00 0.00 C ATOM 154 CG1 VAL A 16 0.071 11.662 -1.771 1.00 0.00 C ATOM 155 CG2 VAL A 16 1.539 9.916 -2.797 1.00 0.00 C ATOM 0 H VAL A 16 3.127 11.026 -4.391 1.00 0.00 H new ATOM 0 HA VAL A 16 0.687 12.606 -4.021 1.00 0.00 H new ATOM 0 HB VAL A 16 2.203 11.590 -1.666 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.076 11.004 -0.915 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.031 12.700 -1.441 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.715 11.484 -2.505 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.374 9.289 -1.921 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.790 9.685 -3.555 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.534 9.723 -3.199 1.00 0.00 H new ATOM 165 N PRO A 17 1.914 14.748 -3.507 1.00 0.00 N ATOM 166 CA PRO A 17 2.554 16.010 -3.130 1.00 0.00 C ATOM 167 C PRO A 17 2.332 16.366 -1.663 1.00 0.00 C ATOM 168 O PRO A 17 1.338 17.004 -1.317 1.00 0.00 O ATOM 169 CB PRO A 17 1.866 17.031 -4.034 1.00 0.00 C ATOM 170 CG PRO A 17 0.510 16.463 -4.272 1.00 0.00 C ATOM 171 CD PRO A 17 0.682 14.968 -4.291 1.00 0.00 C ATOM 0 HA PRO A 17 3.637 15.968 -3.248 1.00 0.00 H new ATOM 0 HB2 PRO A 17 1.809 18.009 -3.556 1.00 0.00 H new ATOM 0 HB3 PRO A 17 2.410 17.164 -4.969 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.183 16.766 -3.487 1.00 0.00 H new ATOM 0 HG3 PRO A 17 0.098 16.820 -5.216 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.173 14.461 -3.844 1.00 0.00 H new ATOM 0 HD3 PRO A 17 0.782 14.589 -5.308 1.00 0.00 H new ATOM 179 N LEU A 18 3.265 15.962 -0.802 1.00 0.00 N ATOM 180 CA LEU A 18 3.163 16.251 0.628 1.00 0.00 C ATOM 181 C LEU A 18 3.677 17.651 0.944 1.00 0.00 C ATOM 182 O LEU A 18 4.091 17.938 2.068 1.00 0.00 O ATOM 183 CB LEU A 18 3.943 15.221 1.437 1.00 0.00 C ATOM 184 CG LEU A 18 5.456 15.338 1.301 1.00 0.00 C ATOM 185 CD1 LEU A 18 6.056 16.020 2.525 1.00 0.00 C ATOM 186 CD2 LEU A 18 6.081 13.968 1.092 1.00 0.00 C ATOM 0 H LEU A 18 4.097 15.436 -1.068 1.00 0.00 H new ATOM 0 HA LEU A 18 2.110 16.199 0.903 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.675 15.322 2.489 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.637 14.222 1.125 1.00 0.00 H new ATOM 0 HG LEU A 18 5.674 15.952 0.427 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.137 16.093 2.407 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.634 17.020 2.628 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.827 15.435 3.416 1.00 0.00 H new ATOM 0 HD21 LEU A 18 7.162 14.072 0.997 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.851 13.329 1.945 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.678 13.519 0.184 1.00 0.00 H new ATOM 198 N ASN A 19 3.638 18.516 -0.058 1.00 0.00 N ATOM 199 CA ASN A 19 4.086 19.895 0.074 1.00 0.00 C ATOM 200 C ASN A 19 3.598 20.534 1.377 1.00 0.00 C ATOM 201 O ASN A 19 4.227 21.454 1.898 1.00 0.00 O ATOM 202 CB ASN A 19 3.586 20.705 -1.126 1.00 0.00 C ATOM 203 CG ASN A 19 2.109 21.069 -1.025 1.00 0.00 C ATOM 204 OD1 ASN A 19 1.270 20.091 -0.680 1.00 0.00 O flip ATOM 205 ND2 ASN A 19 1.728 22.215 -1.255 1.00 0.00 N flip ATOM 0 H ASN A 19 3.294 18.281 -0.989 1.00 0.00 H new ATOM 0 HA ASN A 19 5.176 19.896 0.100 1.00 0.00 H new ATOM 0 HB2 ASN A 19 4.175 21.618 -1.211 1.00 0.00 H new ATOM 0 HB3 ASN A 19 3.752 20.132 -2.038 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.403 22.934 -1.516 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.737 22.447 -1.185 1.00 0.00 H new ATOM 212 N ASP A 20 2.475 20.046 1.891 1.00 0.00 N ATOM 213 CA ASP A 20 1.910 20.582 3.126 1.00 0.00 C ATOM 214 C ASP A 20 1.319 19.479 4.002 1.00 0.00 C ATOM 215 O ASP A 20 0.564 19.756 4.934 1.00 0.00 O ATOM 216 CB ASP A 20 0.834 21.621 2.806 1.00 0.00 C ATOM 217 CG ASP A 20 0.828 22.769 3.796 1.00 0.00 C ATOM 218 OD1 ASP A 20 1.924 23.245 4.160 1.00 0.00 O ATOM 219 OD2 ASP A 20 -0.273 23.192 4.207 1.00 0.00 O ATOM 0 H ASP A 20 1.939 19.284 1.475 1.00 0.00 H new ATOM 0 HA ASP A 20 2.721 21.054 3.681 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.997 22.012 1.802 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.144 21.139 2.806 1.00 0.00 H new ATOM 224 N SER A 21 1.668 18.230 3.707 1.00 0.00 N ATOM 225 CA SER A 21 1.169 17.100 4.482 1.00 0.00 C ATOM 226 C SER A 21 2.285 16.469 5.315 1.00 0.00 C ATOM 227 O SER A 21 2.033 15.598 6.147 1.00 0.00 O ATOM 228 CB SER A 21 0.545 16.052 3.562 1.00 0.00 C ATOM 229 OG SER A 21 1.538 15.343 2.844 1.00 0.00 O ATOM 0 H SER A 21 2.291 17.976 2.941 1.00 0.00 H new ATOM 0 HA SER A 21 0.403 17.474 5.162 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.049 15.354 4.152 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.136 16.538 2.863 1.00 0.00 H new ATOM 0 HG SER A 21 1.148 14.975 2.024 1.00 0.00 H new ATOM 235 N GLY A 22 3.520 16.918 5.090 1.00 0.00 N ATOM 236 CA GLY A 22 4.650 16.387 5.831 1.00 0.00 C ATOM 237 C GLY A 22 4.472 16.516 7.332 1.00 0.00 C ATOM 238 O GLY A 22 4.961 15.683 8.095 1.00 0.00 O ATOM 0 H GLY A 22 3.756 17.639 4.408 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.788 15.337 5.574 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.557 16.911 5.529 1.00 0.00 H new ATOM 242 N SER A 23 3.764 17.560 7.756 1.00 0.00 N ATOM 243 CA SER A 23 3.518 17.791 9.178 1.00 0.00 C ATOM 244 C SER A 23 2.932 16.540 9.828 1.00 0.00 C ATOM 245 O SER A 23 3.307 16.170 10.940 1.00 0.00 O ATOM 246 CB SER A 23 2.569 18.976 9.367 1.00 0.00 C ATOM 247 OG SER A 23 3.262 20.111 9.858 1.00 0.00 O ATOM 0 H SER A 23 3.351 18.258 7.137 1.00 0.00 H new ATOM 0 HA SER A 23 4.468 18.022 9.660 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.093 19.220 8.417 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.774 18.703 10.061 1.00 0.00 H new ATOM 0 HG SER A 23 2.634 20.855 9.969 1.00 0.00 H new ATOM 253 N ALA A 24 2.020 15.891 9.114 1.00 0.00 N ATOM 254 CA ALA A 24 1.386 14.673 9.603 1.00 0.00 C ATOM 255 C ALA A 24 2.069 13.436 9.024 1.00 0.00 C ATOM 256 O ALA A 24 1.882 12.323 9.515 1.00 0.00 O ATOM 257 CB ALA A 24 -0.095 14.672 9.250 1.00 0.00 C ATOM 0 H ALA A 24 1.702 16.189 8.192 1.00 0.00 H new ATOM 0 HA ALA A 24 1.490 14.644 10.688 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.557 13.757 9.621 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.579 15.534 9.709 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.211 14.724 8.167 1.00 0.00 H new ATOM 263 N GLY A 25 2.859 13.641 7.972 1.00 0.00 N ATOM 264 CA GLY A 25 3.556 12.540 7.335 1.00 0.00 C ATOM 265 C GLY A 25 3.261 12.467 5.853 1.00 0.00 C ATOM 266 O GLY A 25 4.177 12.395 5.034 1.00 0.00 O ATOM 0 H GLY A 25 3.028 14.554 7.550 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.629 12.654 7.486 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.265 11.603 7.810 1.00 0.00 H new ATOM 270 N LEU A 26 1.977 12.492 5.508 1.00 0.00 N ATOM 271 CA LEU A 26 1.559 12.437 4.112 1.00 0.00 C ATOM 272 C LEU A 26 0.038 12.452 3.993 1.00 0.00 C ATOM 273 O LEU A 26 -0.511 13.028 3.055 1.00 0.00 O ATOM 274 CB LEU A 26 2.122 11.185 3.431 1.00 0.00 C ATOM 275 CG LEU A 26 1.663 10.963 1.986 1.00 0.00 C ATOM 276 CD1 LEU A 26 1.629 12.277 1.219 1.00 0.00 C ATOM 277 CD2 LEU A 26 2.575 9.964 1.290 1.00 0.00 C ATOM 0 H LEU A 26 1.209 12.550 6.176 1.00 0.00 H new ATOM 0 HA LEU A 26 1.953 13.322 3.612 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.210 11.243 3.444 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.842 10.313 4.022 1.00 0.00 H new ATOM 0 HG LEU A 26 0.652 10.557 2.007 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.300 12.093 0.196 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.936 12.964 1.705 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.626 12.717 1.206 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.237 9.816 0.264 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.596 10.346 1.284 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.546 9.013 1.822 1.00 0.00 H new ATOM 289 N GLY A 27 -0.640 11.814 4.943 1.00 0.00 N ATOM 290 CA GLY A 27 -2.084 11.769 4.909 1.00 0.00 C ATOM 291 C GLY A 27 -2.602 10.400 4.524 1.00 0.00 C ATOM 292 O GLY A 27 -3.465 10.280 3.656 1.00 0.00 O ATOM 0 H GLY A 27 -0.213 11.330 5.732 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.478 12.043 5.888 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.453 12.509 4.198 1.00 0.00 H new ATOM 296 N VAL A 28 -2.082 9.365 5.178 1.00 0.00 N ATOM 297 CA VAL A 28 -2.506 7.996 4.904 1.00 0.00 C ATOM 298 C VAL A 28 -1.921 7.015 5.916 1.00 0.00 C ATOM 299 O VAL A 28 -0.945 7.317 6.603 1.00 0.00 O ATOM 300 CB VAL A 28 -2.107 7.533 3.482 1.00 0.00 C ATOM 301 CG1 VAL A 28 -3.312 7.533 2.556 1.00 0.00 C ATOM 302 CG2 VAL A 28 -0.991 8.401 2.914 1.00 0.00 C ATOM 0 H VAL A 28 -1.367 9.448 5.901 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.593 8.000 4.983 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.733 6.512 3.556 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.007 7.204 1.562 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -4.071 6.854 2.946 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.724 8.540 2.494 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.732 8.052 1.914 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.327 9.437 2.861 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.115 8.336 3.560 1.00 0.00 H new ATOM 312 N SER A 29 -2.523 5.831 5.986 1.00 0.00 N ATOM 313 CA SER A 29 -2.070 4.784 6.894 1.00 0.00 C ATOM 314 C SER A 29 -2.151 3.427 6.207 1.00 0.00 C ATOM 315 O SER A 29 -3.164 3.096 5.591 1.00 0.00 O ATOM 316 CB SER A 29 -2.918 4.780 8.168 1.00 0.00 C ATOM 317 OG SER A 29 -2.125 4.491 9.307 1.00 0.00 O ATOM 0 H SER A 29 -3.331 5.573 5.420 1.00 0.00 H new ATOM 0 HA SER A 29 -1.033 4.982 7.167 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.398 5.751 8.292 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.713 4.040 8.077 1.00 0.00 H new ATOM 0 HG SER A 29 -2.689 4.496 10.108 1.00 0.00 H new ATOM 323 N VAL A 30 -1.080 2.646 6.302 1.00 0.00 N ATOM 324 CA VAL A 30 -1.042 1.332 5.669 1.00 0.00 C ATOM 325 C VAL A 30 -0.790 0.221 6.681 1.00 0.00 C ATOM 326 O VAL A 30 -0.143 0.430 7.708 1.00 0.00 O ATOM 327 CB VAL A 30 0.038 1.266 4.574 1.00 0.00 C ATOM 328 CG1 VAL A 30 -0.411 2.023 3.334 1.00 0.00 C ATOM 329 CG2 VAL A 30 1.359 1.812 5.093 1.00 0.00 C ATOM 0 H VAL A 30 -0.231 2.898 6.808 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.023 1.182 5.218 1.00 0.00 H new ATOM 0 HB VAL A 30 0.187 0.222 4.299 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.366 1.965 2.571 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.330 1.580 2.950 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.591 3.067 3.590 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.110 1.757 4.305 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.229 2.850 5.399 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.686 1.221 5.948 1.00 0.00 H new ATOM 339 N LYS A 31 -1.305 -0.965 6.374 1.00 0.00 N ATOM 340 CA LYS A 31 -1.144 -2.127 7.238 1.00 0.00 C ATOM 341 C LYS A 31 -0.432 -3.252 6.492 1.00 0.00 C ATOM 342 O LYS A 31 -0.663 -3.461 5.301 1.00 0.00 O ATOM 343 CB LYS A 31 -2.508 -2.590 7.758 1.00 0.00 C ATOM 344 CG LYS A 31 -3.316 -3.385 6.749 1.00 0.00 C ATOM 345 CD LYS A 31 -2.902 -4.842 6.753 1.00 0.00 C ATOM 346 CE LYS A 31 -4.065 -5.753 6.393 1.00 0.00 C ATOM 347 NZ LYS A 31 -4.840 -6.166 7.597 1.00 0.00 N ATOM 0 H LYS A 31 -1.842 -1.146 5.526 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.528 -1.848 8.093 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.358 -3.200 8.649 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.085 -1.717 8.063 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.378 -3.304 6.982 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -3.175 -2.966 5.753 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.088 -4.992 6.044 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.520 -5.110 7.738 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.726 -5.240 5.694 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.688 -6.639 5.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.808 -6.422 7.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.380 -6.986 8.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.874 -5.378 8.275 1.00 0.00 H new ATOM 361 N GLY A 32 0.440 -3.967 7.194 1.00 0.00 N ATOM 362 CA GLY A 32 1.177 -5.053 6.574 1.00 0.00 C ATOM 363 C GLY A 32 0.666 -6.419 6.984 1.00 0.00 C ATOM 364 O GLY A 32 0.379 -6.656 8.157 1.00 0.00 O ATOM 0 H GLY A 32 0.650 -3.814 8.180 1.00 0.00 H new ATOM 0 HA2 GLY A 32 1.113 -4.957 5.490 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.231 -4.969 6.840 1.00 0.00 H new ATOM 368 N ASN A 33 0.553 -7.322 6.014 1.00 0.00 N ATOM 369 CA ASN A 33 0.075 -8.674 6.278 1.00 0.00 C ATOM 370 C ASN A 33 1.125 -9.711 5.897 1.00 0.00 C ATOM 371 O ASN A 33 2.181 -9.373 5.361 1.00 0.00 O ATOM 372 CB ASN A 33 -1.224 -8.938 5.515 1.00 0.00 C ATOM 373 CG ASN A 33 -2.437 -8.933 6.422 1.00 0.00 C ATOM 374 OD1 ASN A 33 -2.469 -7.990 7.357 1.00 0.00 O flip ATOM 375 ND2 ASN A 33 -3.334 -9.766 6.286 1.00 0.00 N flip ATOM 0 H ASN A 33 0.786 -7.141 5.038 1.00 0.00 H new ATOM 0 HA ASN A 33 -0.118 -8.759 7.347 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.349 -8.180 4.742 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -1.156 -9.901 5.009 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -3.267 -10.473 5.553 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -4.144 -9.749 6.906 1.00 0.00 H new ATOM 382 N ARG A 34 0.825 -10.974 6.175 1.00 0.00 N ATOM 383 CA ARG A 34 1.740 -12.066 5.862 1.00 0.00 C ATOM 384 C ARG A 34 1.000 -13.211 5.178 1.00 0.00 C ATOM 385 O ARG A 34 -0.215 -13.349 5.317 1.00 0.00 O ATOM 386 CB ARG A 34 2.420 -12.571 7.136 1.00 0.00 C ATOM 387 CG ARG A 34 3.769 -11.922 7.402 1.00 0.00 C ATOM 388 CD ARG A 34 4.062 -11.842 8.893 1.00 0.00 C ATOM 389 NE ARG A 34 5.356 -11.219 9.163 1.00 0.00 N ATOM 390 CZ ARG A 34 5.701 -10.708 10.343 1.00 0.00 C ATOM 391 NH1 ARG A 34 4.853 -10.745 11.363 1.00 0.00 N ATOM 392 NH2 ARG A 34 6.898 -10.161 10.504 1.00 0.00 N ATOM 0 H ARG A 34 -0.046 -11.268 6.617 1.00 0.00 H new ATOM 0 HA ARG A 34 2.501 -11.688 5.180 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.763 -12.387 7.986 1.00 0.00 H new ATOM 0 HB3 ARG A 34 2.553 -13.650 7.064 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.553 -12.493 6.906 1.00 0.00 H new ATOM 0 HG3 ARG A 34 3.784 -10.920 6.972 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.275 -11.272 9.387 1.00 0.00 H new ATOM 0 HD3 ARG A 34 4.046 -12.845 9.320 1.00 0.00 H new ATOM 0 HE ARG A 34 6.035 -11.173 8.403 1.00 0.00 H new ATOM 0 HH11 ARG A 34 3.932 -11.166 11.245 1.00 0.00 H new ATOM 0 HH12 ARG A 34 5.123 -10.352 12.265 1.00 0.00 H new ATOM 0 HH21 ARG A 34 7.554 -10.132 9.724 1.00 0.00 H new ATOM 0 HH22 ARG A 34 7.162 -9.769 11.408 1.00 0.00 H new ATOM 406 N SER A 35 1.742 -14.032 4.443 1.00 0.00 N ATOM 407 CA SER A 35 1.159 -15.166 3.740 1.00 0.00 C ATOM 408 C SER A 35 0.498 -16.128 4.721 1.00 0.00 C ATOM 409 O SER A 35 0.993 -16.338 5.827 1.00 0.00 O ATOM 410 CB SER A 35 2.231 -15.900 2.934 1.00 0.00 C ATOM 411 OG SER A 35 1.684 -16.478 1.761 1.00 0.00 O ATOM 0 H SER A 35 2.750 -13.932 4.319 1.00 0.00 H new ATOM 0 HA SER A 35 0.398 -14.788 3.058 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.026 -15.205 2.664 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.683 -16.678 3.549 1.00 0.00 H new ATOM 0 HG SER A 35 2.391 -16.940 1.264 1.00 0.00 H new ATOM 417 N LYS A 36 -0.622 -16.710 4.310 1.00 0.00 N ATOM 418 CA LYS A 36 -1.348 -17.650 5.155 1.00 0.00 C ATOM 419 C LYS A 36 -0.826 -19.075 4.975 1.00 0.00 C ATOM 420 O LYS A 36 -1.424 -20.030 5.472 1.00 0.00 O ATOM 421 CB LYS A 36 -2.843 -17.599 4.840 1.00 0.00 C ATOM 422 CG LYS A 36 -3.584 -16.496 5.580 1.00 0.00 C ATOM 423 CD LYS A 36 -3.344 -15.138 4.941 1.00 0.00 C ATOM 424 CE LYS A 36 -3.250 -14.038 5.987 1.00 0.00 C ATOM 425 NZ LYS A 36 -3.867 -12.767 5.514 1.00 0.00 N ATOM 0 H LYS A 36 -1.047 -16.548 3.397 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.189 -17.358 6.193 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.975 -17.458 3.767 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -3.292 -18.560 5.093 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -4.652 -16.713 5.585 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.259 -16.472 6.620 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.423 -15.167 4.358 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.154 -14.913 4.247 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.745 -14.364 6.902 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.203 -13.863 6.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.091 -12.165 6.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.201 -12.269 4.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.740 -12.979 4.990 1.00 0.00 H new ATOM 439 N GLU A 37 0.289 -19.215 4.260 1.00 0.00 N ATOM 440 CA GLU A 37 0.880 -20.525 4.017 1.00 0.00 C ATOM 441 C GLU A 37 2.280 -20.621 4.620 1.00 0.00 C ATOM 442 O GLU A 37 2.704 -21.691 5.055 1.00 0.00 O ATOM 443 CB GLU A 37 0.940 -20.808 2.515 1.00 0.00 C ATOM 444 CG GLU A 37 -0.400 -20.656 1.814 1.00 0.00 C ATOM 445 CD GLU A 37 -0.657 -21.756 0.803 1.00 0.00 C ATOM 446 OE1 GLU A 37 0.324 -22.314 0.270 1.00 0.00 O ATOM 447 OE2 GLU A 37 -1.842 -22.061 0.547 1.00 0.00 O ATOM 0 H GLU A 37 0.799 -18.437 3.840 1.00 0.00 H new ATOM 0 HA GLU A 37 0.249 -21.271 4.499 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.660 -20.132 2.055 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.309 -21.822 2.359 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.197 -20.657 2.558 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.435 -19.690 1.311 1.00 0.00 H new ATOM 454 N ASN A 38 2.998 -19.500 4.640 1.00 0.00 N ATOM 455 CA ASN A 38 4.352 -19.476 5.186 1.00 0.00 C ATOM 456 C ASN A 38 4.610 -18.207 6.002 1.00 0.00 C ATOM 457 O ASN A 38 5.754 -17.902 6.339 1.00 0.00 O ATOM 458 CB ASN A 38 5.380 -19.594 4.057 1.00 0.00 C ATOM 459 CG ASN A 38 5.457 -18.346 3.197 1.00 0.00 C ATOM 460 OD1 ASN A 38 6.481 -17.664 3.165 1.00 0.00 O ATOM 461 ND2 ASN A 38 4.373 -18.041 2.492 1.00 0.00 N ATOM 0 H ASN A 38 2.667 -18.602 4.287 1.00 0.00 H new ATOM 0 HA ASN A 38 4.453 -20.329 5.857 1.00 0.00 H new ATOM 0 HB2 ASN A 38 6.362 -19.795 4.486 1.00 0.00 H new ATOM 0 HB3 ASN A 38 5.126 -20.447 3.428 1.00 0.00 H new ATOM 0 HD21 ASN A 38 4.369 -17.214 1.895 1.00 0.00 H new ATOM 0 HD22 ASN A 38 3.545 -18.634 2.548 1.00 0.00 H new ATOM 468 N HIS A 39 3.547 -17.474 6.323 1.00 0.00 N ATOM 469 CA HIS A 39 3.669 -16.245 7.105 1.00 0.00 C ATOM 470 C HIS A 39 4.680 -15.287 6.479 1.00 0.00 C ATOM 471 O HIS A 39 5.435 -14.618 7.186 1.00 0.00 O ATOM 472 CB HIS A 39 4.083 -16.575 8.541 1.00 0.00 C ATOM 473 CG HIS A 39 2.921 -16.794 9.462 1.00 0.00 C ATOM 474 ND1 HIS A 39 2.880 -17.810 10.392 1.00 0.00 N ATOM 475 CD2 HIS A 39 1.755 -16.119 9.592 1.00 0.00 C ATOM 476 CE1 HIS A 39 1.737 -17.751 11.053 1.00 0.00 C ATOM 477 NE2 HIS A 39 1.038 -16.733 10.587 1.00 0.00 N ATOM 0 H HIS A 39 2.592 -17.709 6.054 1.00 0.00 H new ATOM 0 HA HIS A 39 2.696 -15.753 7.113 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.705 -17.470 8.535 1.00 0.00 H new ATOM 0 HB3 HIS A 39 4.697 -15.762 8.930 1.00 0.00 H new ATOM 0 HD2 HIS A 39 1.447 -15.257 9.019 1.00 0.00 H new ATOM 0 HE1 HIS A 39 1.428 -18.422 11.841 1.00 0.00 H new ATOM 0 HE2 HIS A 39 0.114 -16.449 10.914 1.00 0.00 H new ATOM 486 N ALA A 40 4.685 -15.219 5.152 1.00 0.00 N ATOM 487 CA ALA A 40 5.600 -14.337 4.438 1.00 0.00 C ATOM 488 C ALA A 40 4.957 -12.978 4.182 1.00 0.00 C ATOM 489 O ALA A 40 3.921 -12.886 3.523 1.00 0.00 O ATOM 490 CB ALA A 40 6.034 -14.972 3.126 1.00 0.00 C ATOM 0 H ALA A 40 4.067 -15.763 4.550 1.00 0.00 H new ATOM 0 HA ALA A 40 6.481 -14.185 5.062 1.00 0.00 H new ATOM 0 HB1 ALA A 40 6.717 -14.301 2.605 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.538 -15.917 3.328 1.00 0.00 H new ATOM 0 HB3 ALA A 40 5.158 -15.154 2.503 1.00 0.00 H new ATOM 496 N ASP A 41 5.571 -11.924 4.711 1.00 0.00 N ATOM 497 CA ASP A 41 5.050 -10.571 4.541 1.00 0.00 C ATOM 498 C ASP A 41 4.801 -10.257 3.069 1.00 0.00 C ATOM 499 O ASP A 41 5.740 -10.079 2.294 1.00 0.00 O ATOM 500 CB ASP A 41 6.021 -9.550 5.133 1.00 0.00 C ATOM 501 CG ASP A 41 5.413 -8.164 5.224 1.00 0.00 C ATOM 502 OD1 ASP A 41 4.756 -7.869 6.247 1.00 0.00 O ATOM 503 OD2 ASP A 41 5.591 -7.373 4.275 1.00 0.00 O ATOM 0 H ASP A 41 6.429 -11.980 5.260 1.00 0.00 H new ATOM 0 HA ASP A 41 4.099 -10.510 5.070 1.00 0.00 H new ATOM 0 HB2 ASP A 41 6.327 -9.876 6.127 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.921 -9.510 4.520 1.00 0.00 H new ATOM 508 N LEU A 42 3.528 -10.189 2.693 1.00 0.00 N ATOM 509 CA LEU A 42 3.152 -9.895 1.315 1.00 0.00 C ATOM 510 C LEU A 42 3.382 -8.422 0.994 1.00 0.00 C ATOM 511 O LEU A 42 3.734 -8.068 -0.131 1.00 0.00 O ATOM 512 CB LEU A 42 1.687 -10.260 1.076 1.00 0.00 C ATOM 513 CG LEU A 42 1.271 -11.642 1.585 1.00 0.00 C ATOM 514 CD1 LEU A 42 -0.178 -11.626 2.050 1.00 0.00 C ATOM 515 CD2 LEU A 42 1.474 -12.690 0.502 1.00 0.00 C ATOM 0 H LEU A 42 2.739 -10.334 3.323 1.00 0.00 H new ATOM 0 HA LEU A 42 3.779 -10.495 0.655 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.059 -9.509 1.555 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.486 -10.208 0.006 1.00 0.00 H new ATOM 0 HG LEU A 42 1.901 -11.900 2.436 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.456 -12.617 2.408 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.293 -10.903 2.857 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.824 -11.347 1.218 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.173 -13.667 0.880 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.869 -12.436 -0.368 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.526 -12.719 0.217 1.00 0.00 H new ATOM 527 N GLY A 43 3.181 -7.566 1.992 1.00 0.00 N ATOM 528 CA GLY A 43 3.371 -6.141 1.795 1.00 0.00 C ATOM 529 C GLY A 43 2.388 -5.306 2.590 1.00 0.00 C ATOM 530 O GLY A 43 1.756 -5.798 3.528 1.00 0.00 O ATOM 0 H GLY A 43 2.890 -7.834 2.932 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.387 -5.871 2.082 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.267 -5.907 0.735 1.00 0.00 H new ATOM 534 N ILE A 44 2.260 -4.036 2.215 1.00 0.00 N ATOM 535 CA ILE A 44 1.348 -3.122 2.895 1.00 0.00 C ATOM 536 C ILE A 44 0.242 -2.654 1.952 1.00 0.00 C ATOM 537 O ILE A 44 0.435 -2.588 0.739 1.00 0.00 O ATOM 538 CB ILE A 44 2.082 -1.879 3.459 1.00 0.00 C ATOM 539 CG1 ILE A 44 3.600 -2.026 3.333 1.00 0.00 C ATOM 540 CG2 ILE A 44 1.695 -1.648 4.911 1.00 0.00 C ATOM 541 CD1 ILE A 44 4.185 -3.112 4.215 1.00 0.00 C ATOM 0 H ILE A 44 2.777 -3.616 1.443 1.00 0.00 H new ATOM 0 HA ILE A 44 0.916 -3.679 3.726 1.00 0.00 H new ATOM 0 HB ILE A 44 1.776 -1.015 2.870 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.850 -2.241 2.294 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.070 -1.075 3.584 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.219 -0.772 5.292 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.619 -1.486 4.979 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.969 -2.521 5.504 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.264 -3.156 4.071 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.967 -2.889 5.260 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.744 -4.073 3.950 1.00 0.00 H new ATOM 553 N PHE A 45 -0.914 -2.329 2.522 1.00 0.00 N ATOM 554 CA PHE A 45 -2.055 -1.863 1.738 1.00 0.00 C ATOM 555 C PHE A 45 -2.684 -0.639 2.394 1.00 0.00 C ATOM 556 O PHE A 45 -2.769 -0.558 3.618 1.00 0.00 O ATOM 557 CB PHE A 45 -3.107 -2.972 1.591 1.00 0.00 C ATOM 558 CG PHE A 45 -2.601 -4.350 1.920 1.00 0.00 C ATOM 559 CD1 PHE A 45 -2.298 -4.696 3.228 1.00 0.00 C ATOM 560 CD2 PHE A 45 -2.427 -5.296 0.923 1.00 0.00 C ATOM 561 CE1 PHE A 45 -1.832 -5.962 3.534 1.00 0.00 C ATOM 562 CE2 PHE A 45 -1.962 -6.563 1.223 1.00 0.00 C ATOM 563 CZ PHE A 45 -1.665 -6.895 2.531 1.00 0.00 C ATOM 0 H PHE A 45 -1.087 -2.380 3.526 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.695 -1.592 0.746 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.953 -2.743 2.240 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.481 -2.969 0.567 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.427 -3.969 4.016 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.657 -5.041 -0.101 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.599 -6.220 4.557 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.831 -7.292 0.437 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.302 -7.884 2.768 1.00 0.00 H new ATOM 573 N VAL A 46 -3.127 0.311 1.575 1.00 0.00 N ATOM 574 CA VAL A 46 -3.750 1.525 2.090 1.00 0.00 C ATOM 575 C VAL A 46 -4.871 1.183 3.068 1.00 0.00 C ATOM 576 O VAL A 46 -5.955 0.761 2.668 1.00 0.00 O ATOM 577 CB VAL A 46 -4.316 2.398 0.953 1.00 0.00 C ATOM 578 CG1 VAL A 46 -4.834 3.720 1.498 1.00 0.00 C ATOM 579 CG2 VAL A 46 -3.258 2.633 -0.116 1.00 0.00 C ATOM 0 H VAL A 46 -3.066 0.264 0.558 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.974 2.089 2.608 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.152 1.868 0.497 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.229 4.321 0.679 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.625 3.530 2.223 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.019 4.258 1.983 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.675 3.251 -0.911 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.400 3.140 0.326 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.940 1.676 -0.530 1.00 0.00 H new ATOM 589 N LYS A 47 -4.592 1.364 4.354 1.00 0.00 N ATOM 590 CA LYS A 47 -5.561 1.071 5.402 1.00 0.00 C ATOM 591 C LYS A 47 -6.525 2.236 5.593 1.00 0.00 C ATOM 592 O LYS A 47 -7.709 2.035 5.871 1.00 0.00 O ATOM 593 CB LYS A 47 -4.831 0.767 6.715 1.00 0.00 C ATOM 594 CG LYS A 47 -5.751 0.642 7.919 1.00 0.00 C ATOM 595 CD LYS A 47 -6.614 -0.610 7.837 1.00 0.00 C ATOM 596 CE LYS A 47 -8.087 -0.288 8.030 1.00 0.00 C ATOM 597 NZ LYS A 47 -8.821 -1.412 8.676 1.00 0.00 N ATOM 0 H LYS A 47 -3.697 1.714 4.696 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.140 0.198 5.103 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.271 -0.161 6.601 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.104 1.557 6.906 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.155 0.615 8.832 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.391 1.522 7.982 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.470 -1.089 6.869 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.294 -1.323 8.597 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.186 0.609 8.641 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.540 -0.066 7.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.822 -1.153 8.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.749 -2.262 8.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -8.406 -1.607 9.609 1.00 0.00 H new ATOM 611 N SER A 48 -6.015 3.451 5.446 1.00 0.00 N ATOM 612 CA SER A 48 -6.836 4.645 5.608 1.00 0.00 C ATOM 613 C SER A 48 -6.161 5.861 4.985 1.00 0.00 C ATOM 614 O SER A 48 -4.954 5.859 4.746 1.00 0.00 O ATOM 615 CB SER A 48 -7.113 4.902 7.088 1.00 0.00 C ATOM 616 OG SER A 48 -8.442 5.351 7.289 1.00 0.00 O ATOM 0 H SER A 48 -5.039 3.637 5.215 1.00 0.00 H new ATOM 0 HA SER A 48 -7.782 4.476 5.093 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.945 3.987 7.657 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.413 5.646 7.468 1.00 0.00 H new ATOM 0 HG SER A 48 -8.594 5.506 8.245 1.00 0.00 H new ATOM 622 N ILE A 49 -6.950 6.897 4.725 1.00 0.00 N ATOM 623 CA ILE A 49 -6.431 8.122 4.132 1.00 0.00 C ATOM 624 C ILE A 49 -6.908 9.346 4.900 1.00 0.00 C ATOM 625 O ILE A 49 -7.961 9.323 5.537 1.00 0.00 O ATOM 626 CB ILE A 49 -6.856 8.260 2.657 1.00 0.00 C ATOM 627 CG1 ILE A 49 -6.738 6.914 1.938 1.00 0.00 C ATOM 628 CG2 ILE A 49 -6.021 9.320 1.953 1.00 0.00 C ATOM 629 CD1 ILE A 49 -7.132 6.971 0.479 1.00 0.00 C ATOM 0 H ILE A 49 -7.952 6.912 4.916 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.344 8.061 4.184 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.899 8.575 2.628 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.710 6.559 2.015 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.366 6.183 2.447 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.337 9.401 0.913 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.158 10.280 2.450 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.969 9.039 1.991 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -7.024 5.982 0.034 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -8.169 7.295 0.395 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.488 7.677 -0.045 1.00 0.00 H new ATOM 641 N ILE A 50 -6.128 10.415 4.827 1.00 0.00 N ATOM 642 CA ILE A 50 -6.467 11.657 5.508 1.00 0.00 C ATOM 643 C ILE A 50 -6.904 12.713 4.498 1.00 0.00 C ATOM 644 O ILE A 50 -6.078 13.296 3.797 1.00 0.00 O ATOM 645 CB ILE A 50 -5.277 12.198 6.333 1.00 0.00 C ATOM 646 CG1 ILE A 50 -4.921 11.227 7.465 1.00 0.00 C ATOM 647 CG2 ILE A 50 -5.609 13.569 6.904 1.00 0.00 C ATOM 648 CD1 ILE A 50 -4.026 10.089 7.044 1.00 0.00 C ATOM 0 H ILE A 50 -5.254 10.447 4.302 1.00 0.00 H new ATOM 0 HA ILE A 50 -7.288 11.440 6.191 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.415 12.292 5.672 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.432 11.783 8.265 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.842 10.816 7.879 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.762 13.937 7.482 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.820 14.261 6.089 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.483 13.492 7.550 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.822 9.449 7.903 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.520 9.506 6.266 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.088 10.488 6.658 1.00 0.00 H new ATOM 660 N ASN A 51 -8.209 12.950 4.432 1.00 0.00 N ATOM 661 CA ASN A 51 -8.771 13.933 3.507 1.00 0.00 C ATOM 662 C ASN A 51 -8.311 15.343 3.869 1.00 0.00 C ATOM 663 O ASN A 51 -9.079 16.136 4.414 1.00 0.00 O ATOM 664 CB ASN A 51 -10.305 13.875 3.515 1.00 0.00 C ATOM 665 CG ASN A 51 -10.840 12.475 3.754 1.00 0.00 C ATOM 666 OD1 ASN A 51 -11.048 12.133 5.022 1.00 0.00 O flip ATOM 667 ND2 ASN A 51 -11.064 11.712 2.815 1.00 0.00 N flip ATOM 0 H ASN A 51 -8.902 12.474 5.010 1.00 0.00 H new ATOM 0 HA ASN A 51 -8.413 13.689 2.507 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.685 14.541 4.289 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.683 14.246 2.562 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -10.890 12.017 1.857 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -11.424 10.775 2.994 1.00 0.00 H new ATOM 674 N GLY A 52 -7.055 15.647 3.565 1.00 0.00 N ATOM 675 CA GLY A 52 -6.518 16.960 3.867 1.00 0.00 C ATOM 676 C GLY A 52 -5.132 17.177 3.289 1.00 0.00 C ATOM 677 O GLY A 52 -4.750 18.309 2.995 1.00 0.00 O ATOM 0 H GLY A 52 -6.399 15.008 3.115 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.193 17.722 3.476 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.480 17.092 4.948 1.00 0.00 H new ATOM 681 N GLY A 53 -4.373 16.095 3.129 1.00 0.00 N ATOM 682 CA GLY A 53 -3.034 16.208 2.588 1.00 0.00 C ATOM 683 C GLY A 53 -2.907 15.612 1.200 1.00 0.00 C ATOM 684 O GLY A 53 -3.905 15.274 0.563 1.00 0.00 O ATOM 0 H GLY A 53 -4.663 15.146 3.364 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.749 17.259 2.554 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.334 15.709 3.258 1.00 0.00 H new ATOM 688 N ALA A 54 -1.672 15.496 0.733 1.00 0.00 N ATOM 689 CA ALA A 54 -1.381 14.956 -0.589 1.00 0.00 C ATOM 690 C ALA A 54 -2.180 13.696 -0.902 1.00 0.00 C ATOM 691 O ALA A 54 -2.803 13.601 -1.955 1.00 0.00 O ATOM 692 CB ALA A 54 0.104 14.675 -0.710 1.00 0.00 C ATOM 0 H ALA A 54 -0.843 15.773 1.259 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.681 15.708 -1.319 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.318 14.271 -1.700 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.662 15.600 -0.567 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.400 13.951 0.049 1.00 0.00 H new ATOM 698 N ALA A 55 -2.148 12.725 0.001 1.00 0.00 N ATOM 699 CA ALA A 55 -2.869 11.470 -0.213 1.00 0.00 C ATOM 700 C ALA A 55 -4.328 11.730 -0.575 1.00 0.00 C ATOM 701 O ALA A 55 -4.905 11.039 -1.416 1.00 0.00 O ATOM 702 CB ALA A 55 -2.777 10.582 1.019 1.00 0.00 C ATOM 0 H ALA A 55 -1.637 12.777 0.882 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.400 10.952 -1.050 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.319 9.654 0.840 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.731 10.357 1.228 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -3.214 11.099 1.873 1.00 0.00 H new ATOM 708 N SER A 56 -4.913 12.737 0.059 1.00 0.00 N ATOM 709 CA SER A 56 -6.300 13.103 -0.198 1.00 0.00 C ATOM 710 C SER A 56 -6.450 13.702 -1.588 1.00 0.00 C ATOM 711 O SER A 56 -7.197 13.191 -2.425 1.00 0.00 O ATOM 712 CB SER A 56 -6.771 14.111 0.843 1.00 0.00 C ATOM 713 OG SER A 56 -8.063 14.604 0.528 1.00 0.00 O ATOM 0 H SER A 56 -4.447 13.317 0.757 1.00 0.00 H new ATOM 0 HA SER A 56 -6.910 12.202 -0.137 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.787 13.642 1.827 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.065 14.940 0.897 1.00 0.00 H new ATOM 0 HG SER A 56 -8.277 15.359 1.115 1.00 0.00 H new ATOM 719 N LYS A 57 -5.734 14.792 -1.823 1.00 0.00 N ATOM 720 CA LYS A 57 -5.777 15.482 -3.110 1.00 0.00 C ATOM 721 C LYS A 57 -5.284 14.579 -4.239 1.00 0.00 C ATOM 722 O LYS A 57 -5.631 14.783 -5.403 1.00 0.00 O ATOM 723 CB LYS A 57 -4.945 16.769 -3.067 1.00 0.00 C ATOM 724 CG LYS A 57 -3.643 16.646 -2.290 1.00 0.00 C ATOM 725 CD LYS A 57 -3.520 17.736 -1.237 1.00 0.00 C ATOM 726 CE LYS A 57 -2.081 18.204 -1.086 1.00 0.00 C ATOM 727 NZ LYS A 57 -1.999 19.606 -0.588 1.00 0.00 N ATOM 0 H LYS A 57 -5.113 15.221 -1.138 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.817 15.742 -3.307 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.718 17.075 -4.088 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -5.546 17.562 -2.623 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.594 15.668 -1.811 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.800 16.706 -2.978 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.152 18.581 -1.511 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.885 17.362 -0.280 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.555 17.543 -0.397 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.573 18.131 -2.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.004 19.908 -0.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.536 20.232 -1.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.400 19.658 0.370 1.00 0.00 H new ATOM 741 N ASP A 58 -4.471 13.588 -3.892 1.00 0.00 N ATOM 742 CA ASP A 58 -3.926 12.660 -4.877 1.00 0.00 C ATOM 743 C ASP A 58 -5.040 11.989 -5.676 1.00 0.00 C ATOM 744 O ASP A 58 -5.013 11.974 -6.907 1.00 0.00 O ATOM 745 CB ASP A 58 -3.068 11.598 -4.187 1.00 0.00 C ATOM 746 CG ASP A 58 -1.605 11.694 -4.573 1.00 0.00 C ATOM 747 OD1 ASP A 58 -1.198 12.750 -5.098 1.00 0.00 O ATOM 748 OD2 ASP A 58 -0.866 10.712 -4.350 1.00 0.00 O ATOM 0 H ASP A 58 -4.174 13.406 -2.933 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.305 13.230 -5.567 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.163 11.704 -3.106 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.444 10.608 -4.444 1.00 0.00 H new ATOM 753 N GLY A 59 -6.019 11.436 -4.967 1.00 0.00 N ATOM 754 CA GLY A 59 -7.128 10.771 -5.627 1.00 0.00 C ATOM 755 C GLY A 59 -6.687 9.540 -6.398 1.00 0.00 C ATOM 756 O GLY A 59 -7.173 9.283 -7.499 1.00 0.00 O ATOM 0 H GLY A 59 -6.064 11.436 -3.948 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.871 10.484 -4.883 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.613 11.469 -6.309 1.00 0.00 H new ATOM 760 N ARG A 60 -5.762 8.781 -5.817 1.00 0.00 N ATOM 761 CA ARG A 60 -5.253 7.571 -6.456 1.00 0.00 C ATOM 762 C ARG A 60 -5.110 6.445 -5.442 1.00 0.00 C ATOM 763 O ARG A 60 -5.636 5.350 -5.629 1.00 0.00 O ATOM 764 CB ARG A 60 -3.902 7.850 -7.114 1.00 0.00 C ATOM 765 CG ARG A 60 -3.867 9.165 -7.865 1.00 0.00 C ATOM 766 CD ARG A 60 -2.447 9.646 -8.101 1.00 0.00 C ATOM 767 NE ARG A 60 -2.277 11.023 -7.655 1.00 0.00 N ATOM 768 CZ ARG A 60 -1.333 11.844 -8.109 1.00 0.00 C ATOM 769 NH1 ARG A 60 -0.457 11.426 -9.015 1.00 0.00 N ATOM 770 NH2 ARG A 60 -1.263 13.088 -7.657 1.00 0.00 N ATOM 0 H ARG A 60 -5.350 8.982 -4.906 1.00 0.00 H new ATOM 0 HA ARG A 60 -5.967 7.263 -7.220 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.126 7.855 -6.349 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -3.666 7.039 -7.803 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.375 9.049 -8.823 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -4.417 9.919 -7.302 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -1.748 9.000 -7.570 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.206 9.572 -9.162 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.922 11.380 -6.950 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.505 10.470 -9.368 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.264 12.061 -9.358 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.933 13.416 -6.961 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.539 13.717 -8.005 1.00 0.00 H new ATOM 784 N LEU A 61 -4.392 6.735 -4.366 1.00 0.00 N ATOM 785 CA LEU A 61 -4.162 5.765 -3.299 1.00 0.00 C ATOM 786 C LEU A 61 -5.483 5.215 -2.766 1.00 0.00 C ATOM 787 O LEU A 61 -6.053 5.757 -1.821 1.00 0.00 O ATOM 788 CB LEU A 61 -3.377 6.419 -2.156 1.00 0.00 C ATOM 789 CG LEU A 61 -3.663 7.907 -1.953 1.00 0.00 C ATOM 790 CD1 LEU A 61 -3.812 8.223 -0.477 1.00 0.00 C ATOM 791 CD2 LEU A 61 -2.564 8.754 -2.577 1.00 0.00 C ATOM 0 H LEU A 61 -3.954 7.642 -4.206 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.584 4.938 -3.711 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.602 5.890 -1.230 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.311 6.290 -2.345 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.602 8.148 -2.451 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.015 9.286 -0.351 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.638 7.644 -0.063 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.890 7.966 0.045 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.786 9.810 -2.422 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.609 8.512 -2.111 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.509 8.548 -3.646 1.00 0.00 H new ATOM 803 N ARG A 62 -5.960 4.135 -3.374 1.00 0.00 N ATOM 804 CA ARG A 62 -7.211 3.516 -2.954 1.00 0.00 C ATOM 805 C ARG A 62 -7.002 2.686 -1.692 1.00 0.00 C ATOM 806 O ARG A 62 -5.982 2.013 -1.544 1.00 0.00 O ATOM 807 CB ARG A 62 -7.777 2.636 -4.071 1.00 0.00 C ATOM 808 CG ARG A 62 -8.167 3.409 -5.318 1.00 0.00 C ATOM 809 CD ARG A 62 -9.639 3.795 -5.301 1.00 0.00 C ATOM 810 NE ARG A 62 -9.859 5.086 -4.654 1.00 0.00 N ATOM 811 CZ ARG A 62 -10.130 5.234 -3.359 1.00 0.00 C ATOM 812 NH1 ARG A 62 -10.228 4.177 -2.562 1.00 0.00 N ATOM 813 NH2 ARG A 62 -10.303 6.450 -2.856 1.00 0.00 N ATOM 0 H ARG A 62 -5.501 3.671 -4.158 1.00 0.00 H new ATOM 0 HA ARG A 62 -7.926 4.310 -2.736 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -7.036 1.882 -4.338 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -8.651 2.105 -3.695 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -7.556 4.308 -5.395 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -7.959 2.805 -6.201 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -10.016 3.833 -6.323 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -10.209 3.026 -4.780 1.00 0.00 H new ATOM 0 HE ARG A 62 -9.801 5.926 -5.230 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -10.095 3.239 -2.940 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -10.436 4.303 -1.571 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -10.228 7.268 -3.461 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -10.511 6.567 -1.864 1.00 0.00 H new ATOM 827 N VAL A 63 -7.972 2.741 -0.786 1.00 0.00 N ATOM 828 CA VAL A 63 -7.893 1.998 0.466 1.00 0.00 C ATOM 829 C VAL A 63 -7.951 0.492 0.218 1.00 0.00 C ATOM 830 O VAL A 63 -8.956 -0.157 0.512 1.00 0.00 O ATOM 831 CB VAL A 63 -9.031 2.396 1.427 1.00 0.00 C ATOM 832 CG1 VAL A 63 -8.777 1.835 2.818 1.00 0.00 C ATOM 833 CG2 VAL A 63 -9.187 3.908 1.476 1.00 0.00 C ATOM 0 H VAL A 63 -8.823 3.293 -0.895 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.936 2.249 0.924 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.962 1.970 1.052 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.591 2.126 3.482 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.722 0.748 2.767 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.836 2.228 3.203 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -9.995 4.168 2.160 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -8.258 4.359 1.824 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.420 4.282 0.479 1.00 0.00 H new ATOM 843 N ASN A 64 -6.867 -0.060 -0.326 1.00 0.00 N ATOM 844 CA ASN A 64 -6.793 -1.493 -0.615 1.00 0.00 C ATOM 845 C ASN A 64 -5.567 -1.835 -1.464 1.00 0.00 C ATOM 846 O ASN A 64 -5.087 -2.968 -1.442 1.00 0.00 O ATOM 847 CB ASN A 64 -8.060 -1.968 -1.333 1.00 0.00 C ATOM 848 CG ASN A 64 -8.522 -0.992 -2.398 1.00 0.00 C ATOM 849 OD1 ASN A 64 -7.991 -0.970 -3.509 1.00 0.00 O ATOM 850 ND2 ASN A 64 -9.516 -0.180 -2.064 1.00 0.00 N ATOM 0 H ASN A 64 -6.028 0.463 -0.576 1.00 0.00 H new ATOM 0 HA ASN A 64 -6.705 -2.009 0.341 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.872 -2.939 -1.791 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -8.857 -2.109 -0.603 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -9.870 0.497 -2.739 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.926 -0.233 -1.132 1.00 0.00 H new ATOM 857 N ASP A 65 -5.070 -0.855 -2.215 1.00 0.00 N ATOM 858 CA ASP A 65 -3.906 -1.066 -3.070 1.00 0.00 C ATOM 859 C ASP A 65 -2.692 -1.483 -2.249 1.00 0.00 C ATOM 860 O ASP A 65 -2.411 -0.901 -1.201 1.00 0.00 O ATOM 861 CB ASP A 65 -3.592 0.209 -3.859 1.00 0.00 C ATOM 862 CG ASP A 65 -4.649 0.523 -4.899 1.00 0.00 C ATOM 863 OD1 ASP A 65 -5.194 -0.426 -5.503 1.00 0.00 O ATOM 864 OD2 ASP A 65 -4.936 1.721 -5.111 1.00 0.00 O ATOM 0 H ASP A 65 -5.454 0.089 -2.249 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.140 -1.870 -3.767 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.506 1.048 -3.168 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.625 0.100 -4.350 1.00 0.00 H new ATOM 869 N GLN A 66 -1.978 -2.496 -2.730 1.00 0.00 N ATOM 870 CA GLN A 66 -0.796 -2.997 -2.038 1.00 0.00 C ATOM 871 C GLN A 66 0.461 -2.262 -2.492 1.00 0.00 C ATOM 872 O GLN A 66 0.821 -2.297 -3.668 1.00 0.00 O ATOM 873 CB GLN A 66 -0.637 -4.498 -2.284 1.00 0.00 C ATOM 874 CG GLN A 66 0.012 -5.240 -1.127 1.00 0.00 C ATOM 875 CD GLN A 66 1.360 -5.830 -1.492 1.00 0.00 C ATOM 876 OE1 GLN A 66 2.320 -4.965 -1.804 1.00 0.00 O flip ATOM 877 NE2 GLN A 66 1.539 -7.047 -1.495 1.00 0.00 N flip ATOM 0 H GLN A 66 -2.198 -2.986 -3.597 1.00 0.00 H new ATOM 0 HA GLN A 66 -0.931 -2.819 -0.971 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.618 -4.932 -2.478 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.039 -4.649 -3.183 1.00 0.00 H new ATOM 0 HG2 GLN A 66 0.135 -4.557 -0.286 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.652 -6.039 -0.795 1.00 0.00 H new ATOM 0 HE21 GLN A 66 0.774 -7.676 -1.249 1.00 0.00 H new ATOM 0 HE22 GLN A 66 2.452 -7.428 -1.744 1.00 0.00 H new ATOM 886 N LEU A 67 1.129 -1.600 -1.552 1.00 0.00 N ATOM 887 CA LEU A 67 2.351 -0.863 -1.858 1.00 0.00 C ATOM 888 C LEU A 67 3.445 -1.809 -2.341 1.00 0.00 C ATOM 889 O LEU A 67 3.746 -2.809 -1.689 1.00 0.00 O ATOM 890 CB LEU A 67 2.830 -0.093 -0.626 1.00 0.00 C ATOM 891 CG LEU A 67 1.843 0.945 -0.087 1.00 0.00 C ATOM 892 CD1 LEU A 67 2.061 1.167 1.402 1.00 0.00 C ATOM 893 CD2 LEU A 67 1.980 2.254 -0.851 1.00 0.00 C ATOM 0 H LEU A 67 0.845 -1.559 -0.573 1.00 0.00 H new ATOM 0 HA LEU A 67 2.130 -0.153 -2.655 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.051 -0.808 0.167 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.765 0.410 -0.872 1.00 0.00 H new ATOM 0 HG LEU A 67 0.831 0.567 -0.231 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.350 1.908 1.767 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.913 0.228 1.935 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.077 1.524 1.572 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.271 2.982 -0.456 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.994 2.637 -0.738 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.773 2.082 -1.907 1.00 0.00 H new ATOM 905 N ILE A 68 4.035 -1.490 -3.488 1.00 0.00 N ATOM 906 CA ILE A 68 5.092 -2.319 -4.059 1.00 0.00 C ATOM 907 C ILE A 68 6.428 -1.583 -4.086 1.00 0.00 C ATOM 908 O ILE A 68 7.487 -2.202 -3.988 1.00 0.00 O ATOM 909 CB ILE A 68 4.741 -2.769 -5.489 1.00 0.00 C ATOM 910 CG1 ILE A 68 3.317 -3.328 -5.537 1.00 0.00 C ATOM 911 CG2 ILE A 68 5.741 -3.807 -5.977 1.00 0.00 C ATOM 912 CD1 ILE A 68 3.136 -4.591 -4.723 1.00 0.00 C ATOM 0 H ILE A 68 3.800 -0.665 -4.040 1.00 0.00 H new ATOM 0 HA ILE A 68 5.180 -3.195 -3.417 1.00 0.00 H new ATOM 0 HB ILE A 68 4.793 -1.904 -6.150 1.00 0.00 H new ATOM 0 HG12 ILE A 68 2.625 -2.569 -5.173 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.050 -3.532 -6.574 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.480 -4.116 -6.989 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.742 -3.376 -5.976 1.00 0.00 H new ATOM 0 HG23 ILE A 68 5.718 -4.673 -5.316 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.103 -4.931 -4.803 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.803 -5.366 -5.101 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.371 -4.387 -3.678 1.00 0.00 H new ATOM 924 N ALA A 69 6.377 -0.261 -4.224 1.00 0.00 N ATOM 925 CA ALA A 69 7.591 0.546 -4.267 1.00 0.00 C ATOM 926 C ALA A 69 7.314 1.991 -3.872 1.00 0.00 C ATOM 927 O ALA A 69 6.161 2.410 -3.766 1.00 0.00 O ATOM 928 CB ALA A 69 8.212 0.483 -5.655 1.00 0.00 C ATOM 0 H ALA A 69 5.511 0.272 -4.308 1.00 0.00 H new ATOM 0 HA ALA A 69 8.295 0.135 -3.543 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.118 1.089 -5.676 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.461 -0.551 -5.896 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.502 0.865 -6.389 1.00 0.00 H new ATOM 934 N VAL A 70 8.383 2.750 -3.654 1.00 0.00 N ATOM 935 CA VAL A 70 8.267 4.153 -3.270 1.00 0.00 C ATOM 936 C VAL A 70 9.536 4.924 -3.621 1.00 0.00 C ATOM 937 O VAL A 70 10.579 4.744 -2.992 1.00 0.00 O ATOM 938 CB VAL A 70 7.983 4.298 -1.761 1.00 0.00 C ATOM 939 CG1 VAL A 70 9.114 3.692 -0.941 1.00 0.00 C ATOM 940 CG2 VAL A 70 7.765 5.759 -1.393 1.00 0.00 C ATOM 0 H VAL A 70 9.343 2.416 -3.737 1.00 0.00 H new ATOM 0 HA VAL A 70 7.429 4.570 -3.829 1.00 0.00 H new ATOM 0 HB VAL A 70 7.068 3.752 -1.530 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.894 3.805 0.121 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.211 2.633 -1.181 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.048 4.204 -1.175 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.566 5.839 -0.324 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.658 6.334 -1.640 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.915 6.152 -1.951 1.00 0.00 H new ATOM 950 N ASN A 71 9.440 5.783 -4.631 1.00 0.00 N ATOM 951 CA ASN A 71 10.580 6.581 -5.066 1.00 0.00 C ATOM 952 C ASN A 71 11.749 5.687 -5.468 1.00 0.00 C ATOM 953 O ASN A 71 12.912 6.062 -5.315 1.00 0.00 O ATOM 954 CB ASN A 71 11.015 7.538 -3.955 1.00 0.00 C ATOM 955 CG ASN A 71 9.861 8.362 -3.415 1.00 0.00 C ATOM 956 OD1 ASN A 71 9.256 9.152 -4.139 1.00 0.00 O ATOM 957 ND2 ASN A 71 9.551 8.180 -2.136 1.00 0.00 N ATOM 0 H ASN A 71 8.585 5.944 -5.163 1.00 0.00 H new ATOM 0 HA ASN A 71 10.273 7.161 -5.936 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.461 6.966 -3.141 1.00 0.00 H new ATOM 0 HB3 ASN A 71 11.787 8.206 -4.337 1.00 0.00 H new ATOM 0 HD21 ASN A 71 8.784 8.706 -1.717 1.00 0.00 H new ATOM 0 HD22 ASN A 71 10.080 7.514 -1.573 1.00 0.00 H new ATOM 964 N GLY A 72 11.432 4.503 -5.979 1.00 0.00 N ATOM 965 CA GLY A 72 12.466 3.573 -6.392 1.00 0.00 C ATOM 966 C GLY A 72 12.764 2.525 -5.337 1.00 0.00 C ATOM 967 O GLY A 72 13.371 1.495 -5.630 1.00 0.00 O ATOM 0 H GLY A 72 10.477 4.170 -6.115 1.00 0.00 H new ATOM 0 HA2 GLY A 72 12.158 3.078 -7.313 1.00 0.00 H new ATOM 0 HA3 GLY A 72 13.378 4.126 -6.617 1.00 0.00 H new ATOM 971 N GLU A 73 12.339 2.786 -4.103 1.00 0.00 N ATOM 972 CA GLU A 73 12.567 1.855 -3.004 1.00 0.00 C ATOM 973 C GLU A 73 11.526 0.740 -3.010 1.00 0.00 C ATOM 974 O GLU A 73 10.385 0.941 -2.592 1.00 0.00 O ATOM 975 CB GLU A 73 12.533 2.596 -1.665 1.00 0.00 C ATOM 976 CG GLU A 73 13.639 2.176 -0.710 1.00 0.00 C ATOM 977 CD GLU A 73 14.738 3.215 -0.598 1.00 0.00 C ATOM 978 OE1 GLU A 73 14.844 4.068 -1.504 1.00 0.00 O ATOM 979 OE2 GLU A 73 15.492 3.175 0.398 1.00 0.00 O ATOM 0 H GLU A 73 11.836 3.634 -3.841 1.00 0.00 H new ATOM 0 HA GLU A 73 13.552 1.407 -3.138 1.00 0.00 H new ATOM 0 HB2 GLU A 73 12.611 3.667 -1.850 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.568 2.424 -1.188 1.00 0.00 H new ATOM 0 HG2 GLU A 73 13.213 1.995 0.277 1.00 0.00 H new ATOM 0 HG3 GLU A 73 14.068 1.233 -1.049 1.00 0.00 H new ATOM 986 N SER A 74 11.926 -0.433 -3.488 1.00 0.00 N ATOM 987 CA SER A 74 11.028 -1.581 -3.550 1.00 0.00 C ATOM 988 C SER A 74 10.523 -1.951 -2.160 1.00 0.00 C ATOM 989 O SER A 74 11.271 -1.910 -1.183 1.00 0.00 O ATOM 990 CB SER A 74 11.741 -2.777 -4.181 1.00 0.00 C ATOM 991 OG SER A 74 11.031 -3.980 -3.938 1.00 0.00 O ATOM 0 H SER A 74 12.867 -0.614 -3.838 1.00 0.00 H new ATOM 0 HA SER A 74 10.172 -1.309 -4.168 1.00 0.00 H new ATOM 0 HB2 SER A 74 11.840 -2.620 -5.255 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.750 -2.858 -3.776 1.00 0.00 H new ATOM 0 HG SER A 74 11.506 -4.730 -4.353 1.00 0.00 H new ATOM 997 N LEU A 75 9.246 -2.311 -2.079 1.00 0.00 N ATOM 998 CA LEU A 75 8.637 -2.690 -0.808 1.00 0.00 C ATOM 999 C LEU A 75 8.391 -4.195 -0.743 1.00 0.00 C ATOM 1000 O LEU A 75 8.254 -4.763 0.341 1.00 0.00 O ATOM 1001 CB LEU A 75 7.317 -1.940 -0.603 1.00 0.00 C ATOM 1002 CG LEU A 75 7.437 -0.507 -0.071 1.00 0.00 C ATOM 1003 CD1 LEU A 75 6.087 -0.014 0.429 1.00 0.00 C ATOM 1004 CD2 LEU A 75 8.475 -0.421 1.039 1.00 0.00 C ATOM 0 H LEU A 75 8.613 -2.348 -2.878 1.00 0.00 H new ATOM 0 HA LEU A 75 9.331 -2.419 -0.012 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.787 -1.910 -1.555 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.699 -2.513 0.088 1.00 0.00 H new ATOM 0 HG LEU A 75 7.764 0.132 -0.891 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.188 1.005 0.804 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.368 -0.030 -0.390 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.737 -0.663 1.232 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.540 0.606 1.398 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.184 -1.075 1.861 1.00 0.00 H new ATOM 0 HD23 LEU A 75 9.446 -0.733 0.654 1.00 0.00 H new ATOM 1016 N LEU A 76 8.330 -4.838 -1.908 1.00 0.00 N ATOM 1017 CA LEU A 76 8.094 -6.279 -1.980 1.00 0.00 C ATOM 1018 C LEU A 76 8.989 -7.035 -1.001 1.00 0.00 C ATOM 1019 O LEU A 76 8.517 -7.886 -0.246 1.00 0.00 O ATOM 1020 CB LEU A 76 8.334 -6.783 -3.407 1.00 0.00 C ATOM 1021 CG LEU A 76 7.173 -7.565 -4.019 1.00 0.00 C ATOM 1022 CD1 LEU A 76 7.157 -7.403 -5.531 1.00 0.00 C ATOM 1023 CD2 LEU A 76 7.265 -9.037 -3.641 1.00 0.00 C ATOM 0 H LEU A 76 8.441 -4.384 -2.815 1.00 0.00 H new ATOM 0 HA LEU A 76 7.056 -6.464 -1.704 1.00 0.00 H new ATOM 0 HB2 LEU A 76 8.553 -5.928 -4.046 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.220 -7.417 -3.408 1.00 0.00 H new ATOM 0 HG LEU A 76 6.241 -7.164 -3.621 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.323 -7.967 -5.949 1.00 0.00 H new ATOM 0 HD12 LEU A 76 7.044 -6.349 -5.783 1.00 0.00 H new ATOM 0 HD13 LEU A 76 8.093 -7.777 -5.947 1.00 0.00 H new ATOM 0 HD21 LEU A 76 6.430 -9.580 -4.085 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.204 -9.450 -4.011 1.00 0.00 H new ATOM 0 HD23 LEU A 76 7.227 -9.137 -2.556 1.00 0.00 H new ATOM 1035 N GLY A 77 10.278 -6.717 -1.016 1.00 0.00 N ATOM 1036 CA GLY A 77 11.213 -7.375 -0.122 1.00 0.00 C ATOM 1037 C GLY A 77 11.075 -6.898 1.311 1.00 0.00 C ATOM 1038 O GLY A 77 11.372 -7.634 2.250 1.00 0.00 O ATOM 0 H GLY A 77 10.692 -6.016 -1.630 1.00 0.00 H new ATOM 0 HA2 GLY A 77 11.052 -8.452 -0.161 1.00 0.00 H new ATOM 0 HA3 GLY A 77 12.231 -7.192 -0.467 1.00 0.00 H new ATOM 1042 N LYS A 78 10.621 -5.659 1.476 1.00 0.00 N ATOM 1043 CA LYS A 78 10.442 -5.078 2.801 1.00 0.00 C ATOM 1044 C LYS A 78 9.193 -5.625 3.475 1.00 0.00 C ATOM 1045 O LYS A 78 8.102 -5.600 2.907 1.00 0.00 O ATOM 1046 CB LYS A 78 10.353 -3.558 2.704 1.00 0.00 C ATOM 1047 CG LYS A 78 11.708 -2.881 2.633 1.00 0.00 C ATOM 1048 CD LYS A 78 11.647 -1.460 3.167 1.00 0.00 C ATOM 1049 CE LYS A 78 12.661 -1.234 4.275 1.00 0.00 C ATOM 1050 NZ LYS A 78 13.919 -0.627 3.760 1.00 0.00 N ATOM 0 H LYS A 78 10.370 -5.038 0.707 1.00 0.00 H new ATOM 0 HA LYS A 78 11.307 -5.350 3.406 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.774 -3.291 1.820 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.809 -3.177 3.568 1.00 0.00 H new ATOM 0 HG2 LYS A 78 12.434 -3.456 3.207 1.00 0.00 H new ATOM 0 HG3 LYS A 78 12.056 -2.868 1.600 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.833 -0.757 2.355 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.645 -1.255 3.543 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.229 -0.584 5.036 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.888 -2.184 4.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 14.579 -0.473 4.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 14.354 -1.267 3.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.704 0.284 3.306 1.00 0.00 H new ATOM 1064 N ALA A 79 9.366 -6.111 4.695 1.00 0.00 N ATOM 1065 CA ALA A 79 8.262 -6.657 5.463 1.00 0.00 C ATOM 1066 C ALA A 79 7.283 -5.555 5.842 1.00 0.00 C ATOM 1067 O ALA A 79 7.376 -4.433 5.348 1.00 0.00 O ATOM 1068 CB ALA A 79 8.788 -7.360 6.705 1.00 0.00 C ATOM 0 H ALA A 79 10.266 -6.137 5.175 1.00 0.00 H new ATOM 0 HA ALA A 79 7.733 -7.386 4.850 1.00 0.00 H new ATOM 0 HB1 ALA A 79 7.952 -7.766 7.275 1.00 0.00 H new ATOM 0 HB2 ALA A 79 9.454 -8.171 6.410 1.00 0.00 H new ATOM 0 HB3 ALA A 79 9.335 -6.647 7.322 1.00 0.00 H new ATOM 1074 N ASN A 80 6.345 -5.879 6.719 1.00 0.00 N ATOM 1075 CA ASN A 80 5.351 -4.910 7.160 1.00 0.00 C ATOM 1076 C ASN A 80 6.017 -3.695 7.802 1.00 0.00 C ATOM 1077 O ASN A 80 5.746 -2.556 7.426 1.00 0.00 O ATOM 1078 CB ASN A 80 4.377 -5.563 8.145 1.00 0.00 C ATOM 1079 CG ASN A 80 5.087 -6.377 9.208 1.00 0.00 C ATOM 1080 OD1 ASN A 80 5.491 -5.848 10.244 1.00 0.00 O ATOM 1081 ND2 ASN A 80 5.241 -7.670 8.957 1.00 0.00 N ATOM 0 H ASN A 80 6.251 -6.804 7.139 1.00 0.00 H new ATOM 0 HA ASN A 80 4.796 -4.570 6.286 1.00 0.00 H new ATOM 0 HB2 ASN A 80 3.777 -4.790 8.624 1.00 0.00 H new ATOM 0 HB3 ASN A 80 3.689 -6.207 7.598 1.00 0.00 H new ATOM 0 HD21 ASN A 80 5.710 -8.269 9.636 1.00 0.00 H new ATOM 0 HD22 ASN A 80 4.890 -8.066 8.085 1.00 0.00 H new ATOM 1088 N GLN A 81 6.886 -3.945 8.777 1.00 0.00 N ATOM 1089 CA GLN A 81 7.583 -2.867 9.474 1.00 0.00 C ATOM 1090 C GLN A 81 8.593 -2.171 8.563 1.00 0.00 C ATOM 1091 O GLN A 81 8.761 -0.952 8.630 1.00 0.00 O ATOM 1092 CB GLN A 81 8.291 -3.410 10.717 1.00 0.00 C ATOM 1093 CG GLN A 81 9.085 -4.683 10.462 1.00 0.00 C ATOM 1094 CD GLN A 81 10.543 -4.553 10.860 1.00 0.00 C ATOM 1095 OE1 GLN A 81 11.362 -4.044 9.948 1.00 0.00 O flip ATOM 1096 NE2 GLN A 81 10.927 -4.908 11.974 1.00 0.00 N flip ATOM 0 H GLN A 81 7.124 -4.882 9.102 1.00 0.00 H new ATOM 0 HA GLN A 81 6.837 -2.132 9.775 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.963 -2.645 11.105 1.00 0.00 H new ATOM 0 HB3 GLN A 81 7.549 -3.604 11.491 1.00 0.00 H new ATOM 0 HG2 GLN A 81 8.633 -5.505 11.017 1.00 0.00 H new ATOM 0 HG3 GLN A 81 9.023 -4.939 9.404 1.00 0.00 H new ATOM 0 HE21 GLN A 81 10.262 -5.294 12.644 1.00 0.00 H new ATOM 0 HE22 GLN A 81 11.911 -4.816 12.228 1.00 0.00 H new ATOM 1105 N GLU A 82 9.268 -2.945 7.719 1.00 0.00 N ATOM 1106 CA GLU A 82 10.262 -2.395 6.803 1.00 0.00 C ATOM 1107 C GLU A 82 9.622 -1.448 5.805 1.00 0.00 C ATOM 1108 O GLU A 82 10.064 -0.314 5.628 1.00 0.00 O ATOM 1109 CB GLU A 82 10.958 -3.524 6.048 1.00 0.00 C ATOM 1110 CG GLU A 82 12.221 -4.005 6.722 1.00 0.00 C ATOM 1111 CD GLU A 82 13.121 -4.792 5.789 1.00 0.00 C ATOM 1112 OE1 GLU A 82 12.640 -5.779 5.193 1.00 0.00 O ATOM 1113 OE2 GLU A 82 14.306 -4.422 5.655 1.00 0.00 O ATOM 0 H GLU A 82 9.145 -3.955 7.650 1.00 0.00 H new ATOM 0 HA GLU A 82 10.991 -1.840 7.394 1.00 0.00 H new ATOM 0 HB2 GLU A 82 10.268 -4.362 5.945 1.00 0.00 H new ATOM 0 HB3 GLU A 82 11.199 -3.183 5.041 1.00 0.00 H new ATOM 0 HG2 GLU A 82 12.769 -3.147 7.111 1.00 0.00 H new ATOM 0 HG3 GLU A 82 11.957 -4.628 7.576 1.00 0.00 H new ATOM 1120 N ALA A 83 8.582 -1.927 5.150 1.00 0.00 N ATOM 1121 CA ALA A 83 7.879 -1.129 4.162 1.00 0.00 C ATOM 1122 C ALA A 83 7.258 0.089 4.822 1.00 0.00 C ATOM 1123 O ALA A 83 7.173 1.161 4.224 1.00 0.00 O ATOM 1124 CB ALA A 83 6.824 -1.963 3.460 1.00 0.00 C ATOM 0 H ALA A 83 8.204 -2.865 5.284 1.00 0.00 H new ATOM 0 HA ALA A 83 8.592 -0.787 3.412 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.306 -1.349 2.723 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.300 -2.807 2.960 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.106 -2.333 4.192 1.00 0.00 H new ATOM 1130 N MET A 84 6.838 -0.083 6.069 1.00 0.00 N ATOM 1131 CA MET A 84 6.240 1.005 6.820 1.00 0.00 C ATOM 1132 C MET A 84 7.302 2.018 7.220 1.00 0.00 C ATOM 1133 O MET A 84 7.032 3.213 7.323 1.00 0.00 O ATOM 1134 CB MET A 84 5.522 0.475 8.056 1.00 0.00 C ATOM 1135 CG MET A 84 4.024 0.398 7.863 1.00 0.00 C ATOM 1136 SD MET A 84 3.224 -0.705 9.033 1.00 0.00 S ATOM 1137 CE MET A 84 3.139 -2.184 8.038 1.00 0.00 C ATOM 0 H MET A 84 6.902 -0.965 6.578 1.00 0.00 H new ATOM 0 HA MET A 84 5.507 1.500 6.183 1.00 0.00 H new ATOM 0 HB2 MET A 84 5.906 -0.516 8.299 1.00 0.00 H new ATOM 0 HB3 MET A 84 5.744 1.120 8.906 1.00 0.00 H new ATOM 0 HG2 MET A 84 3.598 1.396 7.963 1.00 0.00 H new ATOM 0 HG3 MET A 84 3.810 0.061 6.849 1.00 0.00 H new ATOM 0 HE1 MET A 84 2.098 -2.401 7.797 1.00 0.00 H new ATOM 0 HE2 MET A 84 3.701 -2.035 7.116 1.00 0.00 H new ATOM 0 HE3 MET A 84 3.565 -3.020 8.592 1.00 0.00 H new ATOM 1147 N GLU A 85 8.522 1.528 7.430 1.00 0.00 N ATOM 1148 CA GLU A 85 9.632 2.391 7.801 1.00 0.00 C ATOM 1149 C GLU A 85 10.152 3.107 6.564 1.00 0.00 C ATOM 1150 O GLU A 85 10.499 4.286 6.614 1.00 0.00 O ATOM 1151 CB GLU A 85 10.741 1.581 8.498 1.00 0.00 C ATOM 1152 CG GLU A 85 11.811 1.013 7.570 1.00 0.00 C ATOM 1153 CD GLU A 85 13.131 0.786 8.281 1.00 0.00 C ATOM 1154 OE1 GLU A 85 13.381 1.466 9.299 1.00 0.00 O ATOM 1155 OE2 GLU A 85 13.914 -0.072 7.821 1.00 0.00 O ATOM 0 H GLU A 85 8.763 0.540 7.349 1.00 0.00 H new ATOM 0 HA GLU A 85 9.287 3.141 8.513 1.00 0.00 H new ATOM 0 HB2 GLU A 85 11.225 2.219 9.237 1.00 0.00 H new ATOM 0 HB3 GLU A 85 10.280 0.757 9.042 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.461 0.070 7.150 1.00 0.00 H new ATOM 0 HG3 GLU A 85 11.964 1.697 6.735 1.00 0.00 H new ATOM 1162 N THR A 86 10.173 2.390 5.445 1.00 0.00 N ATOM 1163 CA THR A 86 10.613 2.966 4.186 1.00 0.00 C ATOM 1164 C THR A 86 9.640 4.064 3.781 1.00 0.00 C ATOM 1165 O THR A 86 10.035 5.104 3.256 1.00 0.00 O ATOM 1166 CB THR A 86 10.704 1.886 3.100 1.00 0.00 C ATOM 1167 OG1 THR A 86 11.989 1.288 3.098 1.00 0.00 O ATOM 1168 CG2 THR A 86 10.441 2.400 1.698 1.00 0.00 C ATOM 0 H THR A 86 9.891 1.412 5.388 1.00 0.00 H new ATOM 0 HA THR A 86 11.608 3.393 4.307 1.00 0.00 H new ATOM 0 HB THR A 86 9.924 1.167 3.353 1.00 0.00 H new ATOM 0 HG1 THR A 86 12.345 1.281 2.185 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.524 1.578 0.987 1.00 0.00 H new ATOM 0 HG22 THR A 86 9.438 2.823 1.648 1.00 0.00 H new ATOM 0 HG23 THR A 86 11.172 3.169 1.449 1.00 0.00 H new ATOM 1176 N LEU A 87 8.363 3.831 4.072 1.00 0.00 N ATOM 1177 CA LEU A 87 7.328 4.807 3.785 1.00 0.00 C ATOM 1178 C LEU A 87 7.547 6.006 4.685 1.00 0.00 C ATOM 1179 O LEU A 87 7.709 7.131 4.217 1.00 0.00 O ATOM 1180 CB LEU A 87 5.939 4.206 4.022 1.00 0.00 C ATOM 1181 CG LEU A 87 5.428 3.296 2.903 1.00 0.00 C ATOM 1182 CD1 LEU A 87 4.277 2.435 3.400 1.00 0.00 C ATOM 1183 CD2 LEU A 87 5.000 4.121 1.700 1.00 0.00 C ATOM 0 H LEU A 87 8.025 2.973 4.507 1.00 0.00 H new ATOM 0 HA LEU A 87 7.382 5.109 2.739 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.960 3.637 4.951 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.227 5.019 4.162 1.00 0.00 H new ATOM 0 HG LEU A 87 6.240 2.637 2.595 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.926 1.794 2.591 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.617 1.817 4.231 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.461 3.076 3.735 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.639 3.458 0.914 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.203 4.804 1.992 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.851 4.693 1.330 1.00 0.00 H new ATOM 1195 N ARG A 88 7.598 5.739 5.987 1.00 0.00 N ATOM 1196 CA ARG A 88 7.853 6.776 6.974 1.00 0.00 C ATOM 1197 C ARG A 88 9.152 7.492 6.625 1.00 0.00 C ATOM 1198 O ARG A 88 9.303 8.690 6.863 1.00 0.00 O ATOM 1199 CB ARG A 88 7.946 6.169 8.375 1.00 0.00 C ATOM 1200 CG ARG A 88 6.601 5.765 8.954 1.00 0.00 C ATOM 1201 CD ARG A 88 6.743 5.229 10.370 1.00 0.00 C ATOM 1202 NE ARG A 88 5.540 4.527 10.813 1.00 0.00 N ATOM 1203 CZ ARG A 88 5.265 4.263 12.087 1.00 0.00 C ATOM 1204 NH1 ARG A 88 6.100 4.638 13.047 1.00 0.00 N ATOM 1205 NH2 ARG A 88 4.149 3.619 12.404 1.00 0.00 N ATOM 0 H ARG A 88 7.465 4.808 6.381 1.00 0.00 H new ATOM 0 HA ARG A 88 7.030 7.490 6.965 1.00 0.00 H new ATOM 0 HB2 ARG A 88 8.595 5.294 8.340 1.00 0.00 H new ATOM 0 HB3 ARG A 88 8.418 6.889 9.043 1.00 0.00 H new ATOM 0 HG2 ARG A 88 5.931 6.625 8.955 1.00 0.00 H new ATOM 0 HG3 ARG A 88 6.144 5.005 8.320 1.00 0.00 H new ATOM 0 HD2 ARG A 88 7.596 4.552 10.418 1.00 0.00 H new ATOM 0 HD3 ARG A 88 6.953 6.054 11.051 1.00 0.00 H new ATOM 0 HE ARG A 88 4.873 4.222 10.104 1.00 0.00 H new ATOM 0 HH11 ARG A 88 6.960 5.133 12.810 1.00 0.00 H new ATOM 0 HH12 ARG A 88 5.882 4.432 14.022 1.00 0.00 H new ATOM 0 HH21 ARG A 88 3.503 3.327 11.671 1.00 0.00 H new ATOM 0 HH22 ARG A 88 3.937 3.416 13.381 1.00 0.00 H new ATOM 1219 N ARG A 89 10.077 6.740 6.032 1.00 0.00 N ATOM 1220 CA ARG A 89 11.360 7.289 5.616 1.00 0.00 C ATOM 1221 C ARG A 89 11.146 8.269 4.478 1.00 0.00 C ATOM 1222 O ARG A 89 11.587 9.418 4.535 1.00 0.00 O ATOM 1223 CB ARG A 89 12.300 6.169 5.166 1.00 0.00 C ATOM 1224 CG ARG A 89 13.452 5.928 6.122 1.00 0.00 C ATOM 1225 CD ARG A 89 14.561 5.124 5.467 1.00 0.00 C ATOM 1226 NE ARG A 89 15.815 5.212 6.214 1.00 0.00 N ATOM 1227 CZ ARG A 89 16.894 4.483 5.939 1.00 0.00 C ATOM 1228 NH1 ARG A 89 16.878 3.613 4.935 1.00 0.00 N ATOM 1229 NH2 ARG A 89 17.992 4.625 6.666 1.00 0.00 N ATOM 0 H ARG A 89 9.959 5.747 5.830 1.00 0.00 H new ATOM 0 HA ARG A 89 11.814 7.805 6.462 1.00 0.00 H new ATOM 0 HB2 ARG A 89 11.729 5.247 5.058 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.700 6.414 4.182 1.00 0.00 H new ATOM 0 HG2 ARG A 89 13.848 6.884 6.464 1.00 0.00 H new ATOM 0 HG3 ARG A 89 13.090 5.399 7.004 1.00 0.00 H new ATOM 0 HD2 ARG A 89 14.256 4.080 5.392 1.00 0.00 H new ATOM 0 HD3 ARG A 89 14.718 5.484 4.450 1.00 0.00 H new ATOM 0 HE ARG A 89 15.866 5.871 6.991 1.00 0.00 H new ATOM 0 HH11 ARG A 89 16.036 3.501 4.370 1.00 0.00 H new ATOM 0 HH12 ARG A 89 17.708 3.057 4.729 1.00 0.00 H new ATOM 0 HH21 ARG A 89 18.011 5.293 7.437 1.00 0.00 H new ATOM 0 HH22 ARG A 89 18.819 4.066 6.455 1.00 0.00 H new ATOM 1243 N SER A 90 10.448 7.807 3.450 1.00 0.00 N ATOM 1244 CA SER A 90 10.150 8.639 2.300 1.00 0.00 C ATOM 1245 C SER A 90 9.280 9.817 2.720 1.00 0.00 C ATOM 1246 O SER A 90 9.346 10.899 2.136 1.00 0.00 O ATOM 1247 CB SER A 90 9.445 7.822 1.214 1.00 0.00 C ATOM 1248 OG SER A 90 10.213 6.688 0.849 1.00 0.00 O ATOM 0 H SER A 90 10.078 6.858 3.392 1.00 0.00 H new ATOM 0 HA SER A 90 11.087 9.018 1.892 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.467 7.502 1.573 1.00 0.00 H new ATOM 0 HB3 SER A 90 9.275 8.447 0.337 1.00 0.00 H new ATOM 0 HG SER A 90 10.210 6.040 1.584 1.00 0.00 H new ATOM 1254 N MET A 91 8.467 9.589 3.745 1.00 0.00 N ATOM 1255 CA MET A 91 7.576 10.611 4.275 1.00 0.00 C ATOM 1256 C MET A 91 8.326 11.568 5.199 1.00 0.00 C ATOM 1257 O MET A 91 7.840 12.656 5.505 1.00 0.00 O ATOM 1258 CB MET A 91 6.427 9.952 5.043 1.00 0.00 C ATOM 1259 CG MET A 91 5.310 9.442 4.148 1.00 0.00 C ATOM 1260 SD MET A 91 4.898 7.714 4.445 1.00 0.00 S ATOM 1261 CE MET A 91 5.040 7.059 2.786 1.00 0.00 C ATOM 0 H MET A 91 8.408 8.693 4.230 1.00 0.00 H new ATOM 0 HA MET A 91 7.178 11.182 3.436 1.00 0.00 H new ATOM 0 HB2 MET A 91 6.821 9.121 5.627 1.00 0.00 H new ATOM 0 HB3 MET A 91 6.014 10.671 5.751 1.00 0.00 H new ATOM 0 HG2 MET A 91 4.421 10.053 4.303 1.00 0.00 H new ATOM 0 HG3 MET A 91 5.603 9.565 3.105 1.00 0.00 H new ATOM 0 HE1 MET A 91 4.379 6.199 2.676 1.00 0.00 H new ATOM 0 HE2 MET A 91 4.759 7.827 2.066 1.00 0.00 H new ATOM 0 HE3 MET A 91 6.069 6.751 2.603 1.00 0.00 H new ATOM 1271 N SER A 92 9.503 11.148 5.658 1.00 0.00 N ATOM 1272 CA SER A 92 10.304 11.962 6.566 1.00 0.00 C ATOM 1273 C SER A 92 11.320 12.824 5.823 1.00 0.00 C ATOM 1274 O SER A 92 11.409 14.030 6.062 1.00 0.00 O ATOM 1275 CB SER A 92 11.025 11.066 7.575 1.00 0.00 C ATOM 1276 OG SER A 92 11.857 11.831 8.431 1.00 0.00 O ATOM 0 H SER A 92 9.922 10.250 5.416 1.00 0.00 H new ATOM 0 HA SER A 92 9.622 12.633 7.088 1.00 0.00 H new ATOM 0 HB2 SER A 92 10.293 10.518 8.168 1.00 0.00 H new ATOM 0 HB3 SER A 92 11.625 10.326 7.046 1.00 0.00 H new ATOM 0 HG SER A 92 12.306 11.237 9.068 1.00 0.00 H new ATOM 1282 N THR A 93 12.097 12.208 4.942 1.00 0.00 N ATOM 1283 CA THR A 93 13.119 12.941 4.195 1.00 0.00 C ATOM 1284 C THR A 93 13.814 12.056 3.162 1.00 0.00 C ATOM 1285 O THR A 93 14.987 11.712 3.314 1.00 0.00 O ATOM 1286 CB THR A 93 14.156 13.499 5.164 1.00 0.00 C ATOM 1287 OG1 THR A 93 15.133 14.261 4.475 1.00 0.00 O ATOM 1288 CG2 THR A 93 14.874 12.414 5.934 1.00 0.00 C ATOM 0 H THR A 93 12.043 11.213 4.726 1.00 0.00 H new ATOM 0 HA THR A 93 12.624 13.752 3.662 1.00 0.00 H new ATOM 0 HB THR A 93 13.602 14.124 5.864 1.00 0.00 H new ATOM 0 HG1 THR A 93 15.787 14.610 5.116 1.00 0.00 H new ATOM 0 HG21 THR A 93 15.601 12.867 6.609 1.00 0.00 H new ATOM 0 HG22 THR A 93 14.151 11.839 6.512 1.00 0.00 H new ATOM 0 HG23 THR A 93 15.389 11.753 5.237 1.00 0.00 H new ATOM 1296 N GLU A 94 13.090 11.707 2.107 1.00 0.00 N ATOM 1297 CA GLU A 94 13.628 10.877 1.035 1.00 0.00 C ATOM 1298 C GLU A 94 12.676 10.909 -0.143 1.00 0.00 C ATOM 1299 O GLU A 94 13.081 11.100 -1.288 1.00 0.00 O ATOM 1300 CB GLU A 94 13.831 9.435 1.507 1.00 0.00 C ATOM 1301 CG GLU A 94 15.033 9.256 2.414 1.00 0.00 C ATOM 1302 CD GLU A 94 15.641 7.871 2.311 1.00 0.00 C ATOM 1303 OE1 GLU A 94 15.841 7.392 1.176 1.00 0.00 O ATOM 1304 OE2 GLU A 94 15.917 7.265 3.369 1.00 0.00 O ATOM 0 H GLU A 94 12.119 11.989 1.969 1.00 0.00 H new ATOM 0 HA GLU A 94 14.599 11.272 0.737 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.936 9.105 2.035 1.00 0.00 H new ATOM 0 HB3 GLU A 94 13.944 8.789 0.636 1.00 0.00 H new ATOM 0 HG2 GLU A 94 15.788 10.000 2.161 1.00 0.00 H new ATOM 0 HG3 GLU A 94 14.736 9.442 3.446 1.00 0.00 H new ATOM 1311 N GLY A 95 11.398 10.757 0.165 1.00 0.00 N ATOM 1312 CA GLY A 95 10.378 10.811 -0.854 1.00 0.00 C ATOM 1313 C GLY A 95 9.908 12.234 -1.040 1.00 0.00 C ATOM 1314 O GLY A 95 9.530 12.637 -2.138 1.00 0.00 O ATOM 0 H GLY A 95 11.049 10.596 1.110 1.00 0.00 H new ATOM 0 HA2 GLY A 95 10.771 10.423 -1.794 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.538 10.176 -0.573 1.00 0.00 H new ATOM 1318 N ASN A 96 9.963 12.998 0.047 1.00 0.00 N ATOM 1319 CA ASN A 96 9.571 14.399 0.027 1.00 0.00 C ATOM 1320 C ASN A 96 10.680 15.226 -0.622 1.00 0.00 C ATOM 1321 O ASN A 96 10.705 15.387 -1.840 1.00 0.00 O ATOM 1322 CB ASN A 96 9.288 14.883 1.457 1.00 0.00 C ATOM 1323 CG ASN A 96 9.175 16.393 1.563 1.00 0.00 C ATOM 1324 OD1 ASN A 96 8.458 17.001 0.626 1.00 0.00 O flip ATOM 1325 ND2 ASN A 96 9.727 17.006 2.477 1.00 0.00 N flip ATOM 0 H ASN A 96 10.278 12.665 0.958 1.00 0.00 H new ATOM 0 HA ASN A 96 8.659 14.519 -0.558 1.00 0.00 H new ATOM 0 HB2 ASN A 96 8.362 14.430 1.811 1.00 0.00 H new ATOM 0 HB3 ASN A 96 10.085 14.537 2.116 1.00 0.00 H new ATOM 0 HD21 ASN A 96 10.269 16.499 3.177 1.00 0.00 H new ATOM 0 HD22 ASN A 96 9.642 18.021 2.534 1.00 0.00 H new ATOM 1332 N LYS A 97 11.603 15.731 0.200 1.00 0.00 N ATOM 1333 CA LYS A 97 12.737 16.527 -0.280 1.00 0.00 C ATOM 1334 C LYS A 97 12.344 17.534 -1.369 1.00 0.00 C ATOM 1335 O LYS A 97 13.204 18.036 -2.092 1.00 0.00 O ATOM 1336 CB LYS A 97 13.833 15.592 -0.802 1.00 0.00 C ATOM 1337 CG LYS A 97 13.500 14.953 -2.140 1.00 0.00 C ATOM 1338 CD LYS A 97 14.534 13.920 -2.538 1.00 0.00 C ATOM 1339 CE LYS A 97 13.897 12.787 -3.320 1.00 0.00 C ATOM 1340 NZ LYS A 97 14.706 11.538 -3.253 1.00 0.00 N ATOM 0 H LYS A 97 11.587 15.601 1.212 1.00 0.00 H new ATOM 0 HA LYS A 97 13.105 17.108 0.566 1.00 0.00 H new ATOM 0 HB2 LYS A 97 14.763 16.153 -0.898 1.00 0.00 H new ATOM 0 HB3 LYS A 97 14.009 14.806 -0.067 1.00 0.00 H new ATOM 0 HG2 LYS A 97 12.518 14.483 -2.085 1.00 0.00 H new ATOM 0 HG3 LYS A 97 13.442 15.725 -2.908 1.00 0.00 H new ATOM 0 HD2 LYS A 97 15.311 14.391 -3.141 1.00 0.00 H new ATOM 0 HD3 LYS A 97 15.019 13.523 -1.646 1.00 0.00 H new ATOM 0 HE2 LYS A 97 12.898 12.593 -2.929 1.00 0.00 H new ATOM 0 HE3 LYS A 97 13.779 13.087 -4.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 14.610 11.014 -4.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 15.706 11.780 -3.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 14.368 10.947 -2.467 1.00 0.00 H new ATOM 1354 N ARG A 98 11.052 17.827 -1.486 1.00 0.00 N ATOM 1355 CA ARG A 98 10.572 18.767 -2.487 1.00 0.00 C ATOM 1356 C ARG A 98 9.101 19.119 -2.267 1.00 0.00 C ATOM 1357 O ARG A 98 8.679 20.248 -2.521 1.00 0.00 O ATOM 1358 CB ARG A 98 10.774 18.185 -3.883 1.00 0.00 C ATOM 1359 CG ARG A 98 9.907 16.969 -4.176 1.00 0.00 C ATOM 1360 CD ARG A 98 10.747 15.748 -4.512 1.00 0.00 C ATOM 1361 NE ARG A 98 11.011 15.644 -5.947 1.00 0.00 N ATOM 1362 CZ ARG A 98 12.165 15.235 -6.468 1.00 0.00 C ATOM 1363 NH1 ARG A 98 13.173 14.876 -5.683 1.00 0.00 N ATOM 1364 NH2 ARG A 98 12.313 15.181 -7.784 1.00 0.00 N ATOM 0 H ARG A 98 10.321 17.426 -0.899 1.00 0.00 H new ATOM 0 HA ARG A 98 11.149 19.687 -2.391 1.00 0.00 H new ATOM 0 HB2 ARG A 98 10.561 18.957 -4.622 1.00 0.00 H new ATOM 0 HB3 ARG A 98 11.822 17.909 -4.003 1.00 0.00 H new ATOM 0 HG2 ARG A 98 9.280 16.752 -3.311 1.00 0.00 H new ATOM 0 HG3 ARG A 98 9.238 17.191 -5.008 1.00 0.00 H new ATOM 0 HD2 ARG A 98 11.692 15.798 -3.972 1.00 0.00 H new ATOM 0 HD3 ARG A 98 10.233 14.849 -4.172 1.00 0.00 H new ATOM 0 HE ARG A 98 10.262 15.902 -6.590 1.00 0.00 H new ATOM 0 HH11 ARG A 98 13.068 14.912 -4.669 1.00 0.00 H new ATOM 0 HH12 ARG A 98 14.053 14.564 -6.094 1.00 0.00 H new ATOM 0 HH21 ARG A 98 11.543 15.453 -8.395 1.00 0.00 H new ATOM 0 HH22 ARG A 98 13.197 14.868 -8.185 1.00 0.00 H new ATOM 1378 N GLY A 99 8.326 18.148 -1.796 1.00 0.00 N ATOM 1379 CA GLY A 99 6.913 18.374 -1.552 1.00 0.00 C ATOM 1380 C GLY A 99 6.035 17.318 -2.202 1.00 0.00 C ATOM 1381 O GLY A 99 4.822 17.493 -2.305 1.00 0.00 O ATOM 0 H GLY A 99 8.652 17.206 -1.578 1.00 0.00 H new ATOM 0 HA2 GLY A 99 6.730 18.383 -0.478 1.00 0.00 H new ATOM 0 HA3 GLY A 99 6.635 19.357 -1.931 1.00 0.00 H new ATOM 1385 N MET A 100 6.651 16.222 -2.640 1.00 0.00 N ATOM 1386 CA MET A 100 5.924 15.138 -3.284 1.00 0.00 C ATOM 1387 C MET A 100 6.763 13.863 -3.322 1.00 0.00 C ATOM 1388 O MET A 100 7.991 13.923 -3.349 1.00 0.00 O ATOM 1389 CB MET A 100 5.527 15.545 -4.702 1.00 0.00 C ATOM 1390 CG MET A 100 6.662 15.449 -5.709 1.00 0.00 C ATOM 1391 SD MET A 100 6.151 15.913 -7.373 1.00 0.00 S ATOM 1392 CE MET A 100 4.574 15.074 -7.479 1.00 0.00 C ATOM 0 H MET A 100 7.655 16.064 -2.559 1.00 0.00 H new ATOM 0 HA MET A 100 5.024 14.937 -2.702 1.00 0.00 H new ATOM 0 HB2 MET A 100 4.704 14.912 -5.035 1.00 0.00 H new ATOM 0 HB3 MET A 100 5.155 16.569 -4.685 1.00 0.00 H new ATOM 0 HG2 MET A 100 7.481 16.094 -5.391 1.00 0.00 H new ATOM 0 HG3 MET A 100 7.046 14.429 -5.722 1.00 0.00 H new ATOM 0 HE1 MET A 100 4.418 14.720 -8.498 1.00 0.00 H new ATOM 0 HE2 MET A 100 4.567 14.226 -6.795 1.00 0.00 H new ATOM 0 HE3 MET A 100 3.775 15.765 -7.209 1.00 0.00 H new ATOM 1402 N ILE A 101 6.092 12.714 -3.329 1.00 0.00 N ATOM 1403 CA ILE A 101 6.781 11.424 -3.365 1.00 0.00 C ATOM 1404 C ILE A 101 6.019 10.425 -4.236 1.00 0.00 C ATOM 1405 O ILE A 101 4.795 10.482 -4.335 1.00 0.00 O ATOM 1406 CB ILE A 101 6.993 10.849 -1.936 1.00 0.00 C ATOM 1407 CG1 ILE A 101 6.420 9.435 -1.795 1.00 0.00 C ATOM 1408 CG2 ILE A 101 6.382 11.767 -0.888 1.00 0.00 C ATOM 1409 CD1 ILE A 101 6.605 8.856 -0.410 1.00 0.00 C ATOM 0 H ILE A 101 5.074 12.648 -3.310 1.00 0.00 H new ATOM 0 HA ILE A 101 7.764 11.591 -3.806 1.00 0.00 H new ATOM 0 HB ILE A 101 8.069 10.790 -1.773 1.00 0.00 H new ATOM 0 HG12 ILE A 101 5.357 9.454 -2.035 1.00 0.00 H new ATOM 0 HG13 ILE A 101 6.900 8.781 -2.523 1.00 0.00 H new ATOM 0 HG21 ILE A 101 6.543 11.344 0.104 1.00 0.00 H new ATOM 0 HG22 ILE A 101 6.853 12.748 -0.945 1.00 0.00 H new ATOM 0 HG23 ILE A 101 5.312 11.867 -1.071 1.00 0.00 H new ATOM 0 HD11 ILE A 101 6.178 7.854 -0.375 1.00 0.00 H new ATOM 0 HD12 ILE A 101 7.668 8.806 -0.175 1.00 0.00 H new ATOM 0 HD13 ILE A 101 6.102 9.490 0.320 1.00 0.00 H new ATOM 1421 N GLN A 102 6.754 9.514 -4.865 1.00 0.00 N ATOM 1422 CA GLN A 102 6.149 8.506 -5.728 1.00 0.00 C ATOM 1423 C GLN A 102 5.978 7.187 -4.985 1.00 0.00 C ATOM 1424 O GLN A 102 6.819 6.811 -4.167 1.00 0.00 O ATOM 1425 CB GLN A 102 7.004 8.295 -6.979 1.00 0.00 C ATOM 1426 CG GLN A 102 6.416 7.293 -7.957 1.00 0.00 C ATOM 1427 CD GLN A 102 7.476 6.594 -8.787 1.00 0.00 C ATOM 1428 OE1 GLN A 102 7.954 5.519 -8.427 1.00 0.00 O ATOM 1429 NE2 GLN A 102 7.850 7.206 -9.905 1.00 0.00 N ATOM 0 H GLN A 102 7.770 9.453 -4.793 1.00 0.00 H new ATOM 0 HA GLN A 102 5.164 8.863 -6.027 1.00 0.00 H new ATOM 0 HB2 GLN A 102 7.133 9.251 -7.486 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.996 7.957 -6.678 1.00 0.00 H new ATOM 0 HG2 GLN A 102 5.842 6.548 -7.406 1.00 0.00 H new ATOM 0 HG3 GLN A 102 5.720 7.805 -8.621 1.00 0.00 H new ATOM 0 HE21 GLN A 102 7.427 8.097 -10.165 1.00 0.00 H new ATOM 0 HE22 GLN A 102 8.561 6.785 -10.504 1.00 0.00 H new ATOM 1438 N LEU A 103 4.888 6.487 -5.274 1.00 0.00 N ATOM 1439 CA LEU A 103 4.611 5.210 -4.630 1.00 0.00 C ATOM 1440 C LEU A 103 3.936 4.241 -5.595 1.00 0.00 C ATOM 1441 O LEU A 103 2.875 4.534 -6.147 1.00 0.00 O ATOM 1442 CB LEU A 103 3.725 5.417 -3.399 1.00 0.00 C ATOM 1443 CG LEU A 103 4.384 6.188 -2.251 1.00 0.00 C ATOM 1444 CD1 LEU A 103 3.746 7.559 -2.090 1.00 0.00 C ATOM 1445 CD2 LEU A 103 4.288 5.400 -0.951 1.00 0.00 C ATOM 0 H LEU A 103 4.183 6.782 -5.949 1.00 0.00 H new ATOM 0 HA LEU A 103 5.563 4.779 -4.320 1.00 0.00 H new ATOM 0 HB2 LEU A 103 2.824 5.949 -3.704 1.00 0.00 H new ATOM 0 HB3 LEU A 103 3.410 4.442 -3.028 1.00 0.00 H new ATOM 0 HG LEU A 103 5.438 6.325 -2.493 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.228 8.091 -1.270 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.868 8.127 -3.012 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.684 7.443 -1.873 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.762 5.964 -0.148 1.00 0.00 H new ATOM 0 HD22 LEU A 103 3.240 5.229 -0.705 1.00 0.00 H new ATOM 0 HD23 LEU A 103 4.794 4.442 -1.068 1.00 0.00 H new ATOM 1457 N ILE A 104 4.555 3.081 -5.784 1.00 0.00 N ATOM 1458 CA ILE A 104 4.012 2.059 -6.670 1.00 0.00 C ATOM 1459 C ILE A 104 3.141 1.085 -5.892 1.00 0.00 C ATOM 1460 O ILE A 104 3.440 0.746 -4.746 1.00 0.00 O ATOM 1461 CB ILE A 104 5.126 1.279 -7.396 1.00 0.00 C ATOM 1462 CG1 ILE A 104 5.984 2.232 -8.224 1.00 0.00 C ATOM 1463 CG2 ILE A 104 4.532 0.191 -8.281 1.00 0.00 C ATOM 1464 CD1 ILE A 104 5.187 3.083 -9.189 1.00 0.00 C ATOM 0 H ILE A 104 5.434 2.825 -5.335 1.00 0.00 H new ATOM 0 HA ILE A 104 3.409 2.573 -7.419 1.00 0.00 H new ATOM 0 HB ILE A 104 5.758 0.802 -6.647 1.00 0.00 H new ATOM 0 HG12 ILE A 104 6.540 2.885 -7.551 1.00 0.00 H new ATOM 0 HG13 ILE A 104 6.718 1.653 -8.784 1.00 0.00 H new ATOM 0 HG21 ILE A 104 5.335 -0.347 -8.784 1.00 0.00 H new ATOM 0 HG22 ILE A 104 3.958 -0.504 -7.668 1.00 0.00 H new ATOM 0 HG23 ILE A 104 3.877 0.644 -9.025 1.00 0.00 H new ATOM 0 HD11 ILE A 104 5.863 3.735 -9.743 1.00 0.00 H new ATOM 0 HD12 ILE A 104 4.652 2.438 -9.886 1.00 0.00 H new ATOM 0 HD13 ILE A 104 4.471 3.689 -8.634 1.00 0.00 H new ATOM 1476 N VAL A 105 2.059 0.643 -6.514 1.00 0.00 N ATOM 1477 CA VAL A 105 1.140 -0.286 -5.869 1.00 0.00 C ATOM 1478 C VAL A 105 0.614 -1.333 -6.846 1.00 0.00 C ATOM 1479 O VAL A 105 0.582 -1.112 -8.056 1.00 0.00 O ATOM 1480 CB VAL A 105 -0.057 0.452 -5.243 1.00 0.00 C ATOM 1481 CG1 VAL A 105 0.390 1.282 -4.049 1.00 0.00 C ATOM 1482 CG2 VAL A 105 -0.747 1.324 -6.280 1.00 0.00 C ATOM 0 H VAL A 105 1.795 0.911 -7.462 1.00 0.00 H new ATOM 0 HA VAL A 105 1.710 -0.785 -5.085 1.00 0.00 H new ATOM 0 HB VAL A 105 -0.773 -0.290 -4.891 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.470 1.796 -3.621 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.834 0.629 -3.298 1.00 0.00 H new ATOM 0 HG13 VAL A 105 1.127 2.017 -4.372 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.591 1.838 -5.820 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.041 2.059 -6.665 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -1.105 0.701 -7.099 1.00 0.00 H new ATOM 1492 N ALA A 106 0.189 -2.467 -6.301 1.00 0.00 N ATOM 1493 CA ALA A 106 -0.355 -3.554 -7.105 1.00 0.00 C ATOM 1494 C ALA A 106 -1.796 -3.839 -6.700 1.00 0.00 C ATOM 1495 O ALA A 106 -2.102 -3.960 -5.513 1.00 0.00 O ATOM 1496 CB ALA A 106 0.500 -4.804 -6.955 1.00 0.00 C ATOM 0 H ALA A 106 0.211 -2.658 -5.299 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.343 -3.254 -8.153 1.00 0.00 H new ATOM 0 HB1 ALA A 106 0.081 -5.607 -7.562 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.516 -4.592 -7.287 1.00 0.00 H new ATOM 0 HB3 ALA A 106 0.516 -5.110 -5.909 1.00 0.00 H new ATOM 1502 N ARG A 107 -2.680 -3.933 -7.686 1.00 0.00 N ATOM 1503 CA ARG A 107 -4.091 -4.187 -7.417 1.00 0.00 C ATOM 1504 C ARG A 107 -4.686 -5.145 -8.445 1.00 0.00 C ATOM 1505 O ARG A 107 -4.338 -5.102 -9.625 1.00 0.00 O ATOM 1506 CB ARG A 107 -4.863 -2.866 -7.414 1.00 0.00 C ATOM 1507 CG ARG A 107 -6.363 -3.026 -7.231 1.00 0.00 C ATOM 1508 CD ARG A 107 -7.133 -2.238 -8.278 1.00 0.00 C ATOM 1509 NE ARG A 107 -7.123 -0.805 -7.998 1.00 0.00 N ATOM 1510 CZ ARG A 107 -7.821 0.091 -8.691 1.00 0.00 C ATOM 1511 NH1 ARG A 107 -8.589 -0.294 -9.702 1.00 0.00 N ATOM 1512 NH2 ARG A 107 -7.751 1.376 -8.373 1.00 0.00 N ATOM 0 H ARG A 107 -2.447 -3.838 -8.674 1.00 0.00 H new ATOM 0 HA ARG A 107 -4.174 -4.656 -6.437 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -4.476 -2.233 -6.616 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -4.676 -2.346 -8.353 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -6.629 -4.081 -7.298 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -6.648 -2.687 -6.235 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -6.698 -2.419 -9.261 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -8.163 -2.593 -8.315 1.00 0.00 H new ATOM 0 HE ARG A 107 -6.547 -0.471 -7.225 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -8.647 -1.281 -9.952 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -9.122 0.397 -10.230 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -7.162 1.678 -7.597 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -8.286 2.063 -8.904 1.00 0.00 H new