USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 923 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: B 21 ASN :FLIP amide:sc= -0.733 F(o=-6.7,f=-4.4) USER MOD Set 1.2: B 52 ASN : amide:sc= -3.64! C(o=-4.4!,f=-13!) USER MOD Set 2.1: B 3 ASN : amide:sc= -1.57 K(o=-1.7,f=-2.5!) USER MOD Set 2.2: B 39 SER OG : rot 180:sc= -0.176 USER MOD Set 3.1: B 26 GLN :FLIP amide:sc= -2.04! C(o=-17!,f=-3.6!) USER MOD Set 3.2: B 55 GLN :FLIP amide:sc= -1.53 F(o=-4.6!,f=-3.6) USER MOD Set 4.1: A 28 LYS NZ :NH3+ -123:sc= 1.23 (180deg=0.133) USER MOD Set 4.2: B 23 ASN : amide:sc= -7.42! C(o=-4.2!,f=-13!) USER MOD Set 4.3: B 24 SER OG : rot -118:sc= 1.97 USER MOD Set 5.1: A 23 ASN : amide:sc= -4.9! C(o=-8.8!,f=-17!) USER MOD Set 5.2: A 26 GLN :FLIP amide:sc= -1.63 F(o=-11,f=-8.8) USER MOD Set 5.3: A 55 GLN :FLIP amide:sc= -2.3! C(o=-13!,f=-8.8!) USER MOD Set 6.1: A 21 ASN : amide:sc= -0.586 K(o=-5.5,f=-6.4) USER MOD Set 6.2: A 52 ASN :FLIP amide:sc= -4.9! C(o=-8.5!,f=-5.5!) USER MOD Set 7.1: A 13 THR OG1 : rot 105:sc= -3.15 USER MOD Set 7.2: B 17 MET CE :methyl -133:sc= -11.8! (180deg=-12.1!) USER MOD Single : A 1 VAL N :NH3+ -162:sc= -0.107 (180deg=-0.703) USER MOD Single : A 3 ASN : amide:sc= 0.122 K(o=0.12,f=-4.3!) USER MOD Single : A 4 LYS NZ :NH3+ -116:sc= -0.503 (180deg=-3.35!) USER MOD Single : A 6 ASN : amide:sc= -5.61! C(o=-5.6!,f=-11!) USER MOD Single : A 7 LYS NZ :NH3+ 146:sc= -0.831 (180deg=-4.05!) USER MOD Single : A 18 ASN : amide:sc= -3.91 K(o=-3.9,f=-4.5) USER MOD Single : A 33 SER OG : rot 73:sc= 0.811 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 41 SER OG : rot -93:sc= 0.785 USER MOD Single : A 43 ASN : amide:sc= -0.0244 K(o=-0.024,f=-0.71) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 141:sc= 1.11 (180deg=0.165) USER MOD Single : A 58 LYS NZ :NH3+ 143:sc= 0.922 (180deg=-0.168) USER MOD Single : B 1 VAL N :NH3+ -158:sc= -0.141 (180deg=-0.777) USER MOD Single : B 4 LYS NZ :NH3+ -134:sc= -0.19 (180deg=-2.77!) USER MOD Single : B 6 ASN :FLIP amide:sc= -0.779 F(o=-8.1!,f=-0.78) USER MOD Single : B 7 LYS NZ :NH3+ -130:sc= 0.775 (180deg=-0.416) USER MOD Single : B 32 ASN :FLIP amide:sc= -3.3! C(o=-4.1!,f=-3.3!) USER MOD Single : B 33 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : B 41 SER OG : rot 148:sc= -2.17 USER MOD Single : B 43 ASN :FLIP amide:sc= -0.0346 F(o=-0.65,f=-0.035) USER MOD Single : B 49 LYS NZ :NH3+ 147:sc= -0.0645 (180deg=-0.586) USER MOD Single : B 50 LYS NZ :NH3+ -134:sc= 0.628 (180deg=0.0235) USER MOD Single : B 58 LYS NZ :NH3+ -119:sc= -2.89 (180deg=-3.55!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 14.294 -13.648 7.092 1.00 0.00 N ATOM 2 CA VAL A 1 13.463 -13.836 5.870 1.00 0.00 C ATOM 3 C VAL A 1 12.017 -14.100 6.289 1.00 0.00 C ATOM 4 O VAL A 1 11.725 -15.104 6.942 1.00 0.00 O ATOM 5 CB VAL A 1 14.010 -15.022 5.052 1.00 0.00 C ATOM 6 CG1 VAL A 1 13.200 -15.184 3.757 1.00 0.00 C ATOM 7 CG2 VAL A 1 15.484 -14.771 4.700 1.00 0.00 C ATOM 0 H1 VAL A 1 15.185 -13.177 6.837 1.00 0.00 H new ATOM 0 H2 VAL A 1 13.776 -13.062 7.777 1.00 0.00 H new ATOM 0 H3 VAL A 1 14.502 -14.574 7.517 1.00 0.00 H new ATOM 0 HA VAL A 1 13.500 -12.940 5.251 1.00 0.00 H new ATOM 0 HB VAL A 1 13.925 -15.931 5.647 1.00 0.00 H new ATOM 0 HG11 VAL A 1 13.593 -16.024 3.185 1.00 0.00 H new ATOM 0 HG12 VAL A 1 12.154 -15.370 4.003 1.00 0.00 H new ATOM 0 HG13 VAL A 1 13.277 -14.273 3.163 1.00 0.00 H new ATOM 0 HG21 VAL A 1 15.868 -15.611 4.122 1.00 0.00 H new ATOM 0 HG22 VAL A 1 15.567 -13.857 4.112 1.00 0.00 H new ATOM 0 HG23 VAL A 1 16.064 -14.666 5.617 1.00 0.00 H new ATOM 19 N ASP A 2 11.123 -13.185 5.913 1.00 0.00 N ATOM 20 CA ASP A 2 9.705 -13.308 6.250 1.00 0.00 C ATOM 21 C ASP A 2 8.852 -12.453 5.316 1.00 0.00 C ATOM 22 O ASP A 2 9.375 -11.618 4.578 1.00 0.00 O ATOM 23 CB ASP A 2 9.474 -12.855 7.699 1.00 0.00 C ATOM 24 CG ASP A 2 9.813 -11.368 7.845 1.00 0.00 C ATOM 25 OD1 ASP A 2 10.961 -11.067 8.122 1.00 0.00 O ATOM 26 OD2 ASP A 2 8.919 -10.553 7.663 1.00 0.00 O ATOM 0 H ASP A 2 11.356 -12.350 5.375 1.00 0.00 H new ATOM 0 HA ASP A 2 9.415 -14.353 6.137 1.00 0.00 H new ATOM 0 HB2 ASP A 2 8.436 -13.029 7.982 1.00 0.00 H new ATOM 0 HB3 ASP A 2 10.092 -13.445 8.376 1.00 0.00 H new ATOM 31 N ASN A 3 7.538 -12.657 5.382 1.00 0.00 N ATOM 32 CA ASN A 3 6.596 -11.889 4.568 1.00 0.00 C ATOM 33 C ASN A 3 5.818 -10.908 5.451 1.00 0.00 C ATOM 34 O ASN A 3 4.949 -10.180 4.969 1.00 0.00 O ATOM 35 CB ASN A 3 5.623 -12.838 3.849 1.00 0.00 C ATOM 36 CG ASN A 3 4.631 -13.460 4.836 1.00 0.00 C ATOM 37 OD1 ASN A 3 4.979 -13.740 5.984 1.00 0.00 O ATOM 38 ND2 ASN A 3 3.405 -13.688 4.455 1.00 0.00 N ATOM 0 H ASN A 3 7.100 -13.348 5.991 1.00 0.00 H new ATOM 0 HA ASN A 3 7.154 -11.325 3.821 1.00 0.00 H new ATOM 0 HB2 ASN A 3 5.080 -12.292 3.078 1.00 0.00 H new ATOM 0 HB3 ASN A 3 6.183 -13.626 3.346 1.00 0.00 H new ATOM 0 HD21 ASN A 3 2.736 -14.097 5.107 1.00 0.00 H new ATOM 0 HD22 ASN A 3 3.115 -13.457 3.505 1.00 0.00 H new ATOM 45 N LYS A 4 6.139 -10.904 6.750 1.00 0.00 N ATOM 46 CA LYS A 4 5.469 -10.020 7.701 1.00 0.00 C ATOM 47 C LYS A 4 5.696 -8.558 7.321 1.00 0.00 C ATOM 48 O LYS A 4 4.757 -7.765 7.310 1.00 0.00 O ATOM 49 CB LYS A 4 5.997 -10.274 9.117 1.00 0.00 C ATOM 50 CG LYS A 4 5.089 -9.567 10.129 1.00 0.00 C ATOM 51 CD LYS A 4 5.667 -9.711 11.539 1.00 0.00 C ATOM 52 CE LYS A 4 4.733 -9.029 12.541 1.00 0.00 C ATOM 53 NZ LYS A 4 5.094 -7.588 12.658 1.00 0.00 N ATOM 0 H LYS A 4 6.856 -11.501 7.162 1.00 0.00 H new ATOM 0 HA LYS A 4 4.400 -10.229 7.674 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.024 -11.344 9.321 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.019 -9.906 9.208 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.995 -8.512 9.871 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.087 -9.994 10.092 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.782 -10.765 11.791 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.659 -9.262 11.585 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.698 -9.130 12.216 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.810 -9.514 13.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.422 -7.390 13.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 5.852 -7.364 11.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 4.260 -7.003 12.449 1.00 0.00 H new ATOM 67 N PHE A 5 6.948 -8.217 7.004 1.00 0.00 N ATOM 68 CA PHE A 5 7.293 -6.855 6.619 1.00 0.00 C ATOM 69 C PHE A 5 6.463 -6.429 5.407 1.00 0.00 C ATOM 70 O PHE A 5 5.998 -5.297 5.341 1.00 0.00 O ATOM 71 CB PHE A 5 8.805 -6.743 6.334 1.00 0.00 C ATOM 72 CG PHE A 5 9.126 -7.123 4.901 1.00 0.00 C ATOM 73 CD1 PHE A 5 9.257 -8.469 4.539 1.00 0.00 C ATOM 74 CD2 PHE A 5 9.296 -6.121 3.935 1.00 0.00 C ATOM 75 CE1 PHE A 5 9.557 -8.811 3.215 1.00 0.00 C ATOM 76 CE2 PHE A 5 9.597 -6.464 2.615 1.00 0.00 C ATOM 77 CZ PHE A 5 9.727 -7.809 2.254 1.00 0.00 C ATOM 0 H PHE A 5 7.734 -8.867 7.008 1.00 0.00 H new ATOM 0 HA PHE A 5 7.061 -6.180 7.443 1.00 0.00 H new ATOM 0 HB2 PHE A 5 9.139 -5.723 6.525 1.00 0.00 H new ATOM 0 HB3 PHE A 5 9.355 -7.391 7.016 1.00 0.00 H new ATOM 0 HD1 PHE A 5 9.127 -9.243 5.281 1.00 0.00 H new ATOM 0 HD2 PHE A 5 9.194 -5.082 4.212 1.00 0.00 H new ATOM 0 HE1 PHE A 5 9.657 -9.849 2.935 1.00 0.00 H new ATOM 0 HE2 PHE A 5 9.729 -5.691 1.873 1.00 0.00 H new ATOM 0 HZ PHE A 5 9.959 -8.074 1.233 1.00 0.00 H new ATOM 87 N ASN A 6 6.267 -7.359 4.465 1.00 0.00 N ATOM 88 CA ASN A 6 5.464 -7.085 3.275 1.00 0.00 C ATOM 89 C ASN A 6 4.015 -6.870 3.671 1.00 0.00 C ATOM 90 O ASN A 6 3.369 -5.928 3.221 1.00 0.00 O ATOM 91 CB ASN A 6 5.544 -8.270 2.314 1.00 0.00 C ATOM 92 CG ASN A 6 4.583 -8.095 1.143 1.00 0.00 C ATOM 93 OD1 ASN A 6 4.436 -7.003 0.624 1.00 0.00 O ATOM 94 ND2 ASN A 6 3.905 -9.120 0.709 1.00 0.00 N ATOM 0 H ASN A 6 6.653 -8.302 4.506 1.00 0.00 H new ATOM 0 HA ASN A 6 5.849 -6.189 2.788 1.00 0.00 H new ATOM 0 HB2 ASN A 6 6.563 -8.370 1.940 1.00 0.00 H new ATOM 0 HB3 ASN A 6 5.308 -9.191 2.847 1.00 0.00 H new ATOM 0 HD21 ASN A 6 3.251 -9.008 -0.066 1.00 0.00 H new ATOM 0 HD22 ASN A 6 4.028 -10.034 1.144 1.00 0.00 H new ATOM 101 N LYS A 7 3.524 -7.747 4.541 1.00 0.00 N ATOM 102 CA LYS A 7 2.161 -7.654 5.018 1.00 0.00 C ATOM 103 C LYS A 7 1.996 -6.303 5.696 1.00 0.00 C ATOM 104 O LYS A 7 0.983 -5.634 5.538 1.00 0.00 O ATOM 105 CB LYS A 7 1.886 -8.800 6.002 1.00 0.00 C ATOM 106 CG LYS A 7 0.375 -9.000 6.186 1.00 0.00 C ATOM 107 CD LYS A 7 0.109 -10.345 6.887 1.00 0.00 C ATOM 108 CE LYS A 7 -1.029 -11.095 6.179 1.00 0.00 C ATOM 109 NZ LYS A 7 -2.342 -10.545 6.621 1.00 0.00 N ATOM 0 H LYS A 7 4.055 -8.528 4.926 1.00 0.00 H new ATOM 0 HA LYS A 7 1.450 -7.738 4.196 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.338 -9.720 5.633 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.350 -8.580 6.964 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.040 -8.183 6.777 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.125 -8.979 5.217 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.014 -10.952 6.880 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.153 -10.174 7.931 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.927 -10.995 5.098 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.974 -12.159 6.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.017 -10.581 5.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.706 -11.111 7.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.220 -9.559 6.927 1.00 0.00 H new ATOM 123 N GLU A 8 3.041 -5.913 6.429 1.00 0.00 N ATOM 124 CA GLU A 8 3.063 -4.638 7.134 1.00 0.00 C ATOM 125 C GLU A 8 3.223 -3.459 6.170 1.00 0.00 C ATOM 126 O GLU A 8 2.583 -2.426 6.328 1.00 0.00 O ATOM 127 CB GLU A 8 4.204 -4.639 8.158 1.00 0.00 C ATOM 128 CG GLU A 8 3.847 -5.547 9.341 1.00 0.00 C ATOM 129 CD GLU A 8 5.019 -5.616 10.319 1.00 0.00 C ATOM 130 OE1 GLU A 8 5.993 -6.282 10.003 1.00 0.00 O ATOM 131 OE2 GLU A 8 4.928 -5.002 11.370 1.00 0.00 O ATOM 0 H GLU A 8 3.887 -6.470 6.548 1.00 0.00 H new ATOM 0 HA GLU A 8 2.108 -4.517 7.645 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.125 -4.985 7.688 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.388 -3.624 8.511 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.961 -5.165 9.849 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.603 -6.547 8.982 1.00 0.00 H new ATOM 138 N LEU A 9 4.067 -3.650 5.166 1.00 0.00 N ATOM 139 CA LEU A 9 4.322 -2.636 4.134 1.00 0.00 C ATOM 140 C LEU A 9 3.023 -2.312 3.418 1.00 0.00 C ATOM 141 O LEU A 9 2.731 -1.151 3.141 1.00 0.00 O ATOM 142 CB LEU A 9 5.379 -3.189 3.167 1.00 0.00 C ATOM 143 CG LEU A 9 5.583 -2.260 1.962 1.00 0.00 C ATOM 144 CD1 LEU A 9 6.408 -1.021 2.315 1.00 0.00 C ATOM 145 CD2 LEU A 9 6.317 -3.029 0.883 1.00 0.00 C ATOM 0 H LEU A 9 4.598 -4.511 5.037 1.00 0.00 H new ATOM 0 HA LEU A 9 4.698 -1.712 4.574 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.325 -3.315 3.694 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.074 -4.176 2.819 1.00 0.00 H new ATOM 0 HG LEU A 9 4.601 -1.926 1.628 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.524 -0.396 1.429 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.898 -0.454 3.094 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.391 -1.328 2.673 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.471 -2.384 0.018 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.282 -3.360 1.265 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.726 -3.896 0.589 1.00 0.00 H new ATOM 157 N GLY A 10 2.219 -3.335 3.166 1.00 0.00 N ATOM 158 CA GLY A 10 0.945 -3.127 2.538 1.00 0.00 C ATOM 159 C GLY A 10 -0.009 -2.512 3.529 1.00 0.00 C ATOM 160 O GLY A 10 -0.844 -1.682 3.191 1.00 0.00 O ATOM 0 H GLY A 10 2.434 -4.307 3.389 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.057 -2.475 1.672 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.548 -4.075 2.174 1.00 0.00 H new ATOM 164 N TRP A 11 0.109 -2.948 4.765 1.00 0.00 N ATOM 165 CA TRP A 11 -0.764 -2.457 5.797 1.00 0.00 C ATOM 166 C TRP A 11 -0.534 -1.038 6.139 1.00 0.00 C ATOM 167 O TRP A 11 -1.486 -0.261 6.175 1.00 0.00 O ATOM 168 CB TRP A 11 -0.675 -3.311 7.033 1.00 0.00 C ATOM 169 CG TRP A 11 -2.051 -3.630 7.474 1.00 0.00 C ATOM 170 CD1 TRP A 11 -2.396 -3.775 8.751 1.00 0.00 C ATOM 171 CD2 TRP A 11 -3.280 -3.809 6.679 1.00 0.00 C ATOM 172 NE1 TRP A 11 -3.730 -4.105 8.812 1.00 0.00 N ATOM 173 CE2 TRP A 11 -4.317 -4.118 7.564 1.00 0.00 C ATOM 174 CE3 TRP A 11 -3.593 -3.754 5.291 1.00 0.00 C ATOM 175 CZ2 TRP A 11 -5.602 -4.361 7.117 1.00 0.00 C ATOM 176 CZ3 TRP A 11 -4.890 -3.990 4.840 1.00 0.00 C ATOM 177 CH2 TRP A 11 -5.900 -4.294 5.753 1.00 0.00 C ATOM 0 H TRP A 11 0.796 -3.636 5.073 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.772 -2.520 5.386 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -0.121 -4.226 6.824 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -0.136 -2.785 7.821 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -1.738 -3.654 9.599 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -4.226 -4.315 9.678 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -2.814 -3.526 4.578 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -6.380 -4.604 7.825 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -5.113 -3.938 3.785 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -6.907 -4.477 5.408 1.00 0.00 H new ATOM 188 N ALA A 12 0.696 -0.677 6.386 1.00 0.00 N ATOM 189 CA ALA A 12 0.946 0.683 6.710 1.00 0.00 C ATOM 190 C ALA A 12 0.455 1.519 5.528 1.00 0.00 C ATOM 191 O ALA A 12 -0.203 2.530 5.703 1.00 0.00 O ATOM 192 CB ALA A 12 2.428 0.903 6.995 1.00 0.00 C ATOM 0 H ALA A 12 1.511 -1.290 6.368 1.00 0.00 H new ATOM 0 HA ALA A 12 0.418 0.980 7.616 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.600 1.951 7.241 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.734 0.278 7.834 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.011 0.637 6.113 1.00 0.00 H new ATOM 198 N THR A 13 0.712 1.012 4.314 1.00 0.00 N ATOM 199 CA THR A 13 0.239 1.655 3.094 1.00 0.00 C ATOM 200 C THR A 13 -1.275 1.819 3.137 1.00 0.00 C ATOM 201 O THR A 13 -1.784 2.893 2.845 1.00 0.00 O ATOM 202 CB THR A 13 0.639 0.776 1.905 1.00 0.00 C ATOM 203 OG1 THR A 13 1.952 1.114 1.518 1.00 0.00 O ATOM 204 CG2 THR A 13 -0.311 0.975 0.722 1.00 0.00 C ATOM 0 H THR A 13 1.246 0.157 4.158 1.00 0.00 H new ATOM 0 HA THR A 13 0.685 2.645 2.997 1.00 0.00 H new ATOM 0 HB THR A 13 0.584 -0.270 2.206 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.572 0.417 1.820 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.000 0.337 -0.106 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.325 0.712 1.022 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.285 2.018 0.406 1.00 0.00 H new ATOM 212 N TRP A 14 -1.967 0.740 3.499 1.00 0.00 N ATOM 213 CA TRP A 14 -3.430 0.730 3.571 1.00 0.00 C ATOM 214 C TRP A 14 -3.959 1.609 4.691 1.00 0.00 C ATOM 215 O TRP A 14 -4.887 2.380 4.494 1.00 0.00 O ATOM 216 CB TRP A 14 -3.883 -0.695 3.835 1.00 0.00 C ATOM 217 CG TRP A 14 -5.342 -0.860 3.535 1.00 0.00 C ATOM 218 CD1 TRP A 14 -6.306 -0.997 4.473 1.00 0.00 C ATOM 219 CD2 TRP A 14 -6.021 -0.925 2.243 1.00 0.00 C ATOM 220 NE1 TRP A 14 -7.521 -1.175 3.850 1.00 0.00 N ATOM 221 CE2 TRP A 14 -7.399 -1.140 2.481 1.00 0.00 C ATOM 222 CE3 TRP A 14 -5.592 -0.836 0.898 1.00 0.00 C ATOM 223 CZ2 TRP A 14 -8.301 -1.265 1.436 1.00 0.00 C ATOM 224 CZ3 TRP A 14 -6.500 -0.963 -0.137 1.00 0.00 C ATOM 225 CH2 TRP A 14 -7.841 -1.180 0.129 1.00 0.00 C ATOM 0 H TRP A 14 -1.533 -0.149 3.750 1.00 0.00 H new ATOM 0 HA TRP A 14 -3.815 1.116 2.627 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -3.302 -1.384 3.222 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -3.691 -0.954 4.876 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -6.148 -0.971 5.541 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -8.403 -1.315 4.343 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -4.548 -0.668 0.678 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -9.350 -1.427 1.636 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -6.161 -0.892 -1.160 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -8.537 -1.284 -0.690 1.00 0.00 H new ATOM 236 N GLU A 15 -3.370 1.474 5.868 1.00 0.00 N ATOM 237 CA GLU A 15 -3.800 2.247 7.022 1.00 0.00 C ATOM 238 C GLU A 15 -3.602 3.739 6.739 1.00 0.00 C ATOM 239 O GLU A 15 -4.449 4.563 7.089 1.00 0.00 O ATOM 240 CB GLU A 15 -3.021 1.773 8.252 1.00 0.00 C ATOM 241 CG GLU A 15 -3.416 0.312 8.582 1.00 0.00 C ATOM 242 CD GLU A 15 -2.434 -0.276 9.592 1.00 0.00 C ATOM 243 OE1 GLU A 15 -1.417 -0.800 9.164 1.00 0.00 O ATOM 244 OE2 GLU A 15 -2.710 -0.194 10.778 1.00 0.00 O ATOM 0 H GLU A 15 -2.594 0.837 6.050 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.861 2.096 7.221 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.949 1.838 8.064 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.235 2.420 9.103 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.428 0.282 8.986 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.418 -0.288 7.672 1.00 0.00 H new ATOM 251 N ILE A 16 -2.515 4.059 6.029 1.00 0.00 N ATOM 252 CA ILE A 16 -2.236 5.437 5.610 1.00 0.00 C ATOM 253 C ILE A 16 -3.256 5.815 4.525 1.00 0.00 C ATOM 254 O ILE A 16 -3.744 6.944 4.467 1.00 0.00 O ATOM 255 CB ILE A 16 -0.790 5.518 5.052 1.00 0.00 C ATOM 256 CG1 ILE A 16 0.218 5.240 6.178 1.00 0.00 C ATOM 257 CG2 ILE A 16 -0.495 6.905 4.460 1.00 0.00 C ATOM 258 CD1 ILE A 16 1.626 5.007 5.599 1.00 0.00 C ATOM 0 H ILE A 16 -1.813 3.381 5.732 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.320 6.127 6.450 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.697 4.771 4.263 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.238 6.081 6.871 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.096 4.365 6.747 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.526 6.928 4.078 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.191 7.109 3.647 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.610 7.663 5.235 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.326 4.812 6.412 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.605 4.151 4.925 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.945 5.893 5.050 1.00 0.00 H new ATOM 270 N PHE A 17 -3.580 4.820 3.691 1.00 0.00 N ATOM 271 CA PHE A 17 -4.560 4.960 2.605 1.00 0.00 C ATOM 272 C PHE A 17 -5.949 5.228 3.192 1.00 0.00 C ATOM 273 O PHE A 17 -6.747 5.979 2.629 1.00 0.00 O ATOM 274 CB PHE A 17 -4.607 3.631 1.829 1.00 0.00 C ATOM 275 CG PHE A 17 -4.778 3.822 0.341 1.00 0.00 C ATOM 276 CD1 PHE A 17 -3.665 4.081 -0.483 1.00 0.00 C ATOM 277 CD2 PHE A 17 -6.043 3.667 -0.227 1.00 0.00 C ATOM 278 CE1 PHE A 17 -3.832 4.192 -1.866 1.00 0.00 C ATOM 279 CE2 PHE A 17 -6.209 3.766 -1.607 1.00 0.00 C ATOM 280 CZ PHE A 17 -5.105 4.028 -2.426 1.00 0.00 C ATOM 0 H PHE A 17 -3.168 3.889 3.750 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.275 5.786 1.953 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.688 3.075 2.015 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.429 3.024 2.209 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.684 4.194 -0.046 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.896 3.470 0.405 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.983 4.403 -2.500 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.189 3.641 -2.044 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.235 4.104 -3.495 1.00 0.00 H new ATOM 290 N ASN A 18 -6.224 4.561 4.319 1.00 0.00 N ATOM 291 CA ASN A 18 -7.511 4.656 5.005 1.00 0.00 C ATOM 292 C ASN A 18 -7.553 5.784 6.042 1.00 0.00 C ATOM 293 O ASN A 18 -8.558 5.923 6.746 1.00 0.00 O ATOM 294 CB ASN A 18 -7.806 3.325 5.719 1.00 0.00 C ATOM 295 CG ASN A 18 -8.149 2.224 4.714 1.00 0.00 C ATOM 296 OD1 ASN A 18 -9.232 1.645 4.776 1.00 0.00 O ATOM 297 ND2 ASN A 18 -7.289 1.893 3.794 1.00 0.00 N ATOM 0 H ASN A 18 -5.558 3.941 4.779 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.260 4.876 4.245 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -6.940 3.026 6.309 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.635 3.458 6.414 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -7.514 1.155 3.127 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.390 2.372 3.740 1.00 0.00 H new ATOM 304 N LEU A 19 -6.489 6.593 6.156 1.00 0.00 N ATOM 305 CA LEU A 19 -6.508 7.671 7.143 1.00 0.00 C ATOM 306 C LEU A 19 -7.527 8.732 6.719 1.00 0.00 C ATOM 307 O LEU A 19 -7.595 9.086 5.540 1.00 0.00 O ATOM 308 CB LEU A 19 -5.123 8.299 7.323 1.00 0.00 C ATOM 309 CG LEU A 19 -4.428 7.695 8.558 1.00 0.00 C ATOM 310 CD1 LEU A 19 -3.062 8.318 8.694 1.00 0.00 C ATOM 311 CD2 LEU A 19 -5.205 8.004 9.837 1.00 0.00 C ATOM 0 H LEU A 19 -5.638 6.524 5.599 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.798 7.249 8.105 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.517 8.126 6.433 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.216 9.379 7.440 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.371 6.615 8.423 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.557 7.900 9.565 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.476 8.109 7.799 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.164 9.396 8.816 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.690 7.565 10.691 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.272 9.084 9.970 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.208 7.584 9.764 1.00 0.00 H new ATOM 323 N PRO A 20 -8.347 9.211 7.632 1.00 0.00 N ATOM 324 CA PRO A 20 -9.416 10.205 7.329 1.00 0.00 C ATOM 325 C PRO A 20 -8.947 11.663 7.324 1.00 0.00 C ATOM 326 O PRO A 20 -9.792 12.560 7.401 1.00 0.00 O ATOM 327 CB PRO A 20 -10.432 9.986 8.476 1.00 0.00 C ATOM 328 CG PRO A 20 -9.872 8.903 9.342 1.00 0.00 C ATOM 329 CD PRO A 20 -8.382 8.888 9.062 1.00 0.00 C ATOM 0 HA PRO A 20 -9.808 10.051 6.324 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.575 10.903 9.047 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.407 9.701 8.081 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -10.071 9.101 10.395 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.325 7.940 9.107 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.845 9.623 9.661 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -7.935 7.917 9.274 1.00 0.00 H new ATOM 337 N ASN A 21 -7.631 11.929 7.259 1.00 0.00 N ATOM 338 CA ASN A 21 -7.193 13.337 7.287 1.00 0.00 C ATOM 339 C ASN A 21 -5.950 13.614 6.444 1.00 0.00 C ATOM 340 O ASN A 21 -5.488 14.754 6.388 1.00 0.00 O ATOM 341 CB ASN A 21 -6.938 13.758 8.738 1.00 0.00 C ATOM 342 CG ASN A 21 -8.261 13.959 9.471 1.00 0.00 C ATOM 343 OD1 ASN A 21 -8.937 14.968 9.267 1.00 0.00 O ATOM 344 ND2 ASN A 21 -8.678 13.053 10.309 1.00 0.00 N ATOM 0 H ASN A 21 -6.888 11.233 7.190 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.998 13.924 6.844 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.345 12.997 9.246 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.358 14.681 8.760 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.565 13.179 10.797 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -8.118 12.218 10.477 1.00 0.00 H new ATOM 351 N LEU A 22 -5.414 12.595 5.785 1.00 0.00 N ATOM 352 CA LEU A 22 -4.224 12.787 4.955 1.00 0.00 C ATOM 353 C LEU A 22 -4.583 13.232 3.550 1.00 0.00 C ATOM 354 O LEU A 22 -5.651 12.896 3.034 1.00 0.00 O ATOM 355 CB LEU A 22 -3.416 11.498 4.886 1.00 0.00 C ATOM 356 CG LEU A 22 -2.942 11.122 6.288 1.00 0.00 C ATOM 357 CD1 LEU A 22 -2.170 9.818 6.221 1.00 0.00 C ATOM 358 CD2 LEU A 22 -2.021 12.206 6.839 1.00 0.00 C ATOM 0 H LEU A 22 -5.774 11.641 5.805 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.628 13.573 5.419 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.025 10.696 4.468 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.560 11.627 4.223 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.810 11.017 6.939 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.829 9.545 7.220 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.817 9.032 5.831 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.309 9.939 5.564 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.689 11.928 7.839 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.155 12.314 6.186 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.560 13.152 6.886 1.00 0.00 H new ATOM 370 N ASN A 23 -3.665 13.978 2.931 1.00 0.00 N ATOM 371 CA ASN A 23 -3.873 14.456 1.573 1.00 0.00 C ATOM 372 C ASN A 23 -3.248 13.457 0.597 1.00 0.00 C ATOM 373 O ASN A 23 -2.379 12.672 0.983 1.00 0.00 O ATOM 374 CB ASN A 23 -3.280 15.873 1.416 1.00 0.00 C ATOM 375 CG ASN A 23 -1.843 15.835 0.903 1.00 0.00 C ATOM 376 OD1 ASN A 23 -1.625 15.687 -0.289 1.00 0.00 O ATOM 377 ND2 ASN A 23 -0.848 15.970 1.729 1.00 0.00 N ATOM 0 H ASN A 23 -2.778 14.260 3.349 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.938 14.529 1.352 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.896 16.450 0.727 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.309 16.387 2.377 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.110 15.952 1.380 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -1.026 16.094 2.726 1.00 0.00 H new ATOM 384 N GLY A 24 -3.713 13.475 -0.652 1.00 0.00 N ATOM 385 CA GLY A 24 -3.216 12.545 -1.670 1.00 0.00 C ATOM 386 C GLY A 24 -1.689 12.462 -1.683 1.00 0.00 C ATOM 387 O GLY A 24 -1.128 11.374 -1.789 1.00 0.00 O ATOM 0 H GLY A 24 -4.430 14.120 -0.984 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.630 11.554 -1.487 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.569 12.861 -2.652 1.00 0.00 H new ATOM 391 N VAL A 25 -1.031 13.613 -1.569 1.00 0.00 N ATOM 392 CA VAL A 25 0.431 13.666 -1.569 1.00 0.00 C ATOM 393 C VAL A 25 1.015 13.056 -0.307 1.00 0.00 C ATOM 394 O VAL A 25 1.970 12.291 -0.391 1.00 0.00 O ATOM 395 CB VAL A 25 0.916 15.111 -1.703 1.00 0.00 C ATOM 396 CG1 VAL A 25 2.451 15.146 -1.728 1.00 0.00 C ATOM 397 CG2 VAL A 25 0.366 15.698 -3.003 1.00 0.00 C ATOM 0 H VAL A 25 -1.485 14.521 -1.475 1.00 0.00 H new ATOM 0 HA VAL A 25 0.774 13.083 -2.424 1.00 0.00 H new ATOM 0 HB VAL A 25 0.564 15.697 -0.854 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.790 16.178 -1.824 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.840 14.721 -0.803 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.814 14.565 -2.575 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.705 16.728 -3.109 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.723 15.109 -3.848 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.724 15.675 -2.980 1.00 0.00 H new ATOM 407 N GLN A 26 0.461 13.394 0.865 1.00 0.00 N ATOM 408 CA GLN A 26 0.996 12.840 2.101 1.00 0.00 C ATOM 409 C GLN A 26 0.855 11.328 2.107 1.00 0.00 C ATOM 410 O GLN A 26 1.808 10.622 2.432 1.00 0.00 O ATOM 411 CB GLN A 26 0.312 13.463 3.318 1.00 0.00 C ATOM 412 CG GLN A 26 1.241 14.532 3.918 1.00 0.00 C ATOM 413 CD GLN A 26 0.423 15.598 4.621 1.00 0.00 C ATOM 414 OE1 GLN A 26 -0.321 15.249 5.615 1.00 0.00 O flip ATOM 415 NE2 GLN A 26 0.460 16.770 4.250 1.00 0.00 N flip ATOM 0 H GLN A 26 -0.331 14.027 0.977 1.00 0.00 H new ATOM 0 HA GLN A 26 2.057 13.083 2.158 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.639 13.910 3.028 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.091 12.696 4.060 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.933 14.070 4.622 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.843 14.985 3.131 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.051 17.037 3.463 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.100 17.475 4.729 1.00 0.00 H new ATOM 424 N VAL A 27 -0.311 10.834 1.698 1.00 0.00 N ATOM 425 CA VAL A 27 -0.527 9.389 1.631 1.00 0.00 C ATOM 426 C VAL A 27 0.462 8.790 0.636 1.00 0.00 C ATOM 427 O VAL A 27 1.103 7.775 0.906 1.00 0.00 O ATOM 428 CB VAL A 27 -1.968 9.078 1.189 1.00 0.00 C ATOM 429 CG1 VAL A 27 -2.165 7.559 1.102 1.00 0.00 C ATOM 430 CG2 VAL A 27 -2.957 9.653 2.210 1.00 0.00 C ATOM 0 H VAL A 27 -1.109 11.401 1.412 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.372 8.954 2.619 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.146 9.528 0.212 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.186 7.342 0.789 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.467 7.143 0.376 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.982 7.112 2.079 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.976 9.431 1.894 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.774 9.204 3.186 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.825 10.733 2.276 1.00 0.00 H new ATOM 440 N LYS A 28 0.587 9.464 -0.504 1.00 0.00 N ATOM 441 CA LYS A 28 1.506 9.057 -1.560 1.00 0.00 C ATOM 442 C LYS A 28 2.949 9.080 -1.051 1.00 0.00 C ATOM 443 O LYS A 28 3.766 8.244 -1.435 1.00 0.00 O ATOM 444 CB LYS A 28 1.341 10.009 -2.763 1.00 0.00 C ATOM 445 CG LYS A 28 2.159 9.518 -3.963 1.00 0.00 C ATOM 446 CD LYS A 28 2.118 10.573 -5.077 1.00 0.00 C ATOM 447 CE LYS A 28 3.033 10.149 -6.230 1.00 0.00 C ATOM 448 NZ LYS A 28 4.457 10.317 -5.820 1.00 0.00 N ATOM 0 H LYS A 28 0.054 10.306 -0.720 1.00 0.00 H new ATOM 0 HA LYS A 28 1.276 8.038 -1.870 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.288 10.076 -3.038 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.662 11.013 -2.485 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.190 9.332 -3.662 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.758 8.573 -4.328 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.097 10.694 -5.438 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.435 11.540 -4.686 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.841 9.110 -6.498 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.824 10.751 -7.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.939 10.948 -6.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.497 10.730 -4.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.929 9.390 -5.816 1.00 0.00 H new ATOM 462 N ALA A 29 3.243 10.051 -0.189 1.00 0.00 N ATOM 463 CA ALA A 29 4.572 10.211 0.379 1.00 0.00 C ATOM 464 C ALA A 29 4.880 9.100 1.343 1.00 0.00 C ATOM 465 O ALA A 29 5.975 8.543 1.331 1.00 0.00 O ATOM 466 CB ALA A 29 4.663 11.527 1.125 1.00 0.00 C ATOM 0 H ALA A 29 2.567 10.744 0.132 1.00 0.00 H new ATOM 0 HA ALA A 29 5.289 10.190 -0.442 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.662 11.638 1.547 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.466 12.349 0.437 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.926 11.542 1.928 1.00 0.00 H new ATOM 472 N PHE A 30 3.898 8.777 2.173 1.00 0.00 N ATOM 473 CA PHE A 30 4.065 7.727 3.128 1.00 0.00 C ATOM 474 C PHE A 30 4.289 6.441 2.363 1.00 0.00 C ATOM 475 O PHE A 30 5.140 5.634 2.736 1.00 0.00 O ATOM 476 CB PHE A 30 2.849 7.647 4.047 1.00 0.00 C ATOM 477 CG PHE A 30 2.719 8.935 4.850 1.00 0.00 C ATOM 478 CD1 PHE A 30 3.829 9.449 5.547 1.00 0.00 C ATOM 479 CD2 PHE A 30 1.493 9.624 4.897 1.00 0.00 C ATOM 480 CE1 PHE A 30 3.709 10.632 6.271 1.00 0.00 C ATOM 481 CE2 PHE A 30 1.386 10.807 5.623 1.00 0.00 C ATOM 482 CZ PHE A 30 2.491 11.308 6.306 1.00 0.00 C ATOM 0 H PHE A 30 2.986 9.234 2.193 1.00 0.00 H new ATOM 0 HA PHE A 30 4.925 7.915 3.770 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.947 7.483 3.457 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.948 6.796 4.721 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.773 8.926 5.520 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.635 9.235 4.370 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.560 11.026 6.806 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.445 11.336 5.656 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.404 12.227 6.867 1.00 0.00 H new ATOM 492 N ILE A 31 3.572 6.297 1.239 1.00 0.00 N ATOM 493 CA ILE A 31 3.759 5.142 0.388 1.00 0.00 C ATOM 494 C ILE A 31 5.158 5.191 -0.198 1.00 0.00 C ATOM 495 O ILE A 31 5.876 4.211 -0.171 1.00 0.00 O ATOM 496 CB ILE A 31 2.692 5.089 -0.725 1.00 0.00 C ATOM 497 CG1 ILE A 31 1.340 4.708 -0.092 1.00 0.00 C ATOM 498 CG2 ILE A 31 3.072 4.055 -1.817 1.00 0.00 C ATOM 499 CD1 ILE A 31 0.237 4.727 -1.150 1.00 0.00 C ATOM 0 H ILE A 31 2.871 6.962 0.912 1.00 0.00 H new ATOM 0 HA ILE A 31 3.644 4.234 0.980 1.00 0.00 H new ATOM 0 HB ILE A 31 2.626 6.067 -1.201 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.407 3.717 0.356 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.097 5.405 0.710 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.301 4.040 -2.588 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.027 4.332 -2.264 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.155 3.065 -1.368 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.713 4.456 -0.690 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.161 5.726 -1.578 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.476 4.012 -1.937 1.00 0.00 H new ATOM 511 N ASP A 32 5.547 6.352 -0.700 1.00 0.00 N ATOM 512 CA ASP A 32 6.881 6.506 -1.278 1.00 0.00 C ATOM 513 C ASP A 32 7.952 6.130 -0.261 1.00 0.00 C ATOM 514 O ASP A 32 8.925 5.446 -0.583 1.00 0.00 O ATOM 515 CB ASP A 32 7.096 7.957 -1.741 1.00 0.00 C ATOM 516 CG ASP A 32 6.612 8.153 -3.176 1.00 0.00 C ATOM 517 OD1 ASP A 32 7.183 7.537 -4.063 1.00 0.00 O ATOM 518 OD2 ASP A 32 5.686 8.925 -3.371 1.00 0.00 O ATOM 0 H ASP A 32 4.971 7.193 -0.721 1.00 0.00 H new ATOM 0 HA ASP A 32 6.960 5.839 -2.137 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.561 8.637 -1.077 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.154 8.211 -1.673 1.00 0.00 H new ATOM 523 N SER A 33 7.739 6.567 0.967 1.00 0.00 N ATOM 524 CA SER A 33 8.651 6.274 2.066 1.00 0.00 C ATOM 525 C SER A 33 8.627 4.774 2.362 1.00 0.00 C ATOM 526 O SER A 33 9.660 4.153 2.601 1.00 0.00 O ATOM 527 CB SER A 33 8.227 7.075 3.295 1.00 0.00 C ATOM 528 OG SER A 33 8.285 8.462 2.992 1.00 0.00 O ATOM 0 H SER A 33 6.933 7.133 1.233 1.00 0.00 H new ATOM 0 HA SER A 33 9.668 6.557 1.795 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.216 6.798 3.593 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.882 6.847 4.136 1.00 0.00 H new ATOM 0 HG SER A 33 7.540 8.699 2.402 1.00 0.00 H new ATOM 534 N LEU A 34 7.423 4.213 2.290 1.00 0.00 N ATOM 535 CA LEU A 34 7.187 2.780 2.484 1.00 0.00 C ATOM 536 C LEU A 34 7.996 1.999 1.454 1.00 0.00 C ATOM 537 O LEU A 34 8.743 1.080 1.786 1.00 0.00 O ATOM 538 CB LEU A 34 5.692 2.540 2.259 1.00 0.00 C ATOM 539 CG LEU A 34 4.937 2.386 3.574 1.00 0.00 C ATOM 540 CD1 LEU A 34 3.652 3.216 3.563 1.00 0.00 C ATOM 541 CD2 LEU A 34 4.567 0.932 3.735 1.00 0.00 C ATOM 0 H LEU A 34 6.574 4.743 2.094 1.00 0.00 H new ATOM 0 HA LEU A 34 7.485 2.457 3.482 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.272 3.372 1.694 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.555 1.643 1.655 1.00 0.00 H new ATOM 0 HG LEU A 34 5.570 2.729 4.393 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.130 3.091 4.511 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.900 4.268 3.421 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.010 2.882 2.748 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.025 0.796 4.671 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.936 0.623 2.902 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.473 0.326 3.749 1.00 0.00 H new ATOM 553 N ARG A 35 7.840 2.411 0.203 1.00 0.00 N ATOM 554 CA ARG A 35 8.552 1.801 -0.923 1.00 0.00 C ATOM 555 C ARG A 35 10.061 1.874 -0.706 1.00 0.00 C ATOM 556 O ARG A 35 10.783 0.893 -0.898 1.00 0.00 O ATOM 557 CB ARG A 35 8.236 2.567 -2.203 1.00 0.00 C ATOM 558 CG ARG A 35 6.752 2.449 -2.517 1.00 0.00 C ATOM 559 CD ARG A 35 6.464 3.058 -3.881 1.00 0.00 C ATOM 560 NE ARG A 35 5.836 2.057 -4.711 1.00 0.00 N ATOM 561 CZ ARG A 35 6.526 1.043 -5.202 1.00 0.00 C ATOM 562 NH1 ARG A 35 6.751 0.010 -4.455 1.00 0.00 N ATOM 563 NH2 ARG A 35 6.989 1.087 -6.412 1.00 0.00 N ATOM 0 H ARG A 35 7.219 3.175 -0.064 1.00 0.00 H new ATOM 0 HA ARG A 35 8.234 0.761 -1.000 1.00 0.00 H new ATOM 0 HB2 ARG A 35 8.511 3.615 -2.088 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.825 2.171 -3.030 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.451 1.402 -2.505 1.00 0.00 H new ATOM 0 HG3 ARG A 35 6.167 2.958 -1.751 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.813 3.926 -3.778 1.00 0.00 H new ATOM 0 HD3 ARG A 35 7.388 3.406 -4.342 1.00 0.00 H new ATOM 0 HE ARG A 35 4.841 2.134 -4.922 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.397 -0.015 -3.499 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.282 -0.779 -4.823 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.822 1.909 -6.993 1.00 0.00 H new ATOM 0 HH22 ARG A 35 7.521 0.300 -6.784 1.00 0.00 H new ATOM 577 N ASP A 36 10.514 3.065 -0.309 1.00 0.00 N ATOM 578 CA ASP A 36 11.930 3.324 -0.062 1.00 0.00 C ATOM 579 C ASP A 36 12.431 2.517 1.126 1.00 0.00 C ATOM 580 O ASP A 36 13.548 1.995 1.111 1.00 0.00 O ATOM 581 CB ASP A 36 12.135 4.811 0.208 1.00 0.00 C ATOM 582 CG ASP A 36 13.628 5.138 0.269 1.00 0.00 C ATOM 583 OD1 ASP A 36 14.207 5.373 -0.778 1.00 0.00 O ATOM 584 OD2 ASP A 36 14.169 5.144 1.363 1.00 0.00 O ATOM 0 H ASP A 36 9.911 3.872 -0.151 1.00 0.00 H new ATOM 0 HA ASP A 36 12.496 3.025 -0.945 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.659 5.399 -0.576 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.657 5.086 1.148 1.00 0.00 H new ATOM 589 N ASP A 37 11.588 2.423 2.148 1.00 0.00 N ATOM 590 CA ASP A 37 11.927 1.681 3.352 1.00 0.00 C ATOM 591 C ASP A 37 10.683 1.024 3.930 1.00 0.00 C ATOM 592 O ASP A 37 9.901 1.658 4.645 1.00 0.00 O ATOM 593 CB ASP A 37 12.582 2.605 4.390 1.00 0.00 C ATOM 594 CG ASP A 37 13.303 1.777 5.461 1.00 0.00 C ATOM 595 OD1 ASP A 37 12.674 0.901 6.039 1.00 0.00 O ATOM 596 OD2 ASP A 37 14.473 2.029 5.688 1.00 0.00 O ATOM 0 H ASP A 37 10.663 2.853 2.165 1.00 0.00 H new ATOM 0 HA ASP A 37 12.643 0.902 3.091 1.00 0.00 H new ATOM 0 HB2 ASP A 37 13.290 3.271 3.898 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.824 3.234 4.856 1.00 0.00 H new ATOM 601 N PRO A 38 10.484 -0.233 3.625 1.00 0.00 N ATOM 602 CA PRO A 38 9.312 -0.994 4.112 1.00 0.00 C ATOM 603 C PRO A 38 9.370 -1.281 5.607 1.00 0.00 C ATOM 604 O PRO A 38 8.339 -1.350 6.269 1.00 0.00 O ATOM 605 CB PRO A 38 9.322 -2.285 3.304 1.00 0.00 C ATOM 606 CG PRO A 38 10.483 -2.230 2.365 1.00 0.00 C ATOM 607 CD PRO A 38 11.362 -1.062 2.783 1.00 0.00 C ATOM 0 HA PRO A 38 8.394 -0.422 3.978 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.406 -3.148 3.965 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.389 -2.396 2.751 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.046 -3.163 2.398 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.139 -2.101 1.339 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.239 -1.401 3.335 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.725 -0.507 1.918 1.00 0.00 H new ATOM 615 N SER A 39 10.576 -1.425 6.140 1.00 0.00 N ATOM 616 CA SER A 39 10.737 -1.669 7.569 1.00 0.00 C ATOM 617 C SER A 39 10.217 -0.451 8.326 1.00 0.00 C ATOM 618 O SER A 39 9.717 -0.553 9.447 1.00 0.00 O ATOM 619 CB SER A 39 12.212 -1.910 7.907 1.00 0.00 C ATOM 620 OG SER A 39 12.321 -2.326 9.262 1.00 0.00 O ATOM 0 H SER A 39 11.448 -1.378 5.613 1.00 0.00 H new ATOM 0 HA SER A 39 10.175 -2.557 7.858 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.629 -2.670 7.246 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.787 -0.998 7.747 1.00 0.00 H new ATOM 0 HG SER A 39 13.263 -2.483 9.481 1.00 0.00 H new ATOM 626 N GLN A 40 10.348 0.701 7.668 1.00 0.00 N ATOM 627 CA GLN A 40 9.908 1.978 8.210 1.00 0.00 C ATOM 628 C GLN A 40 8.405 2.186 7.984 1.00 0.00 C ATOM 629 O GLN A 40 7.849 3.174 8.424 1.00 0.00 O ATOM 630 CB GLN A 40 10.695 3.098 7.504 1.00 0.00 C ATOM 631 CG GLN A 40 10.566 4.429 8.251 1.00 0.00 C ATOM 632 CD GLN A 40 11.491 5.466 7.623 1.00 0.00 C ATOM 633 OE1 GLN A 40 11.209 5.975 6.538 1.00 0.00 O ATOM 634 NE2 GLN A 40 12.587 5.811 8.241 1.00 0.00 N ATOM 0 H GLN A 40 10.765 0.770 6.740 1.00 0.00 H new ATOM 0 HA GLN A 40 10.091 1.994 9.284 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.746 2.818 7.435 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.329 3.215 6.484 1.00 0.00 H new ATOM 0 HG2 GLN A 40 9.534 4.779 8.214 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.819 4.292 9.302 1.00 0.00 H new ATOM 0 HE21 GLN A 40 12.820 5.389 9.140 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.211 6.503 7.825 1.00 0.00 H new ATOM 643 N SER A 41 7.764 1.259 7.278 1.00 0.00 N ATOM 644 CA SER A 41 6.341 1.378 6.947 1.00 0.00 C ATOM 645 C SER A 41 5.469 1.724 8.155 1.00 0.00 C ATOM 646 O SER A 41 4.574 2.562 8.053 1.00 0.00 O ATOM 647 CB SER A 41 5.863 0.039 6.387 1.00 0.00 C ATOM 648 OG SER A 41 5.941 -0.958 7.399 1.00 0.00 O ATOM 0 H SER A 41 8.207 0.412 6.921 1.00 0.00 H new ATOM 0 HA SER A 41 6.243 2.190 6.226 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.837 0.129 6.029 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.475 -0.248 5.532 1.00 0.00 H new ATOM 0 HG SER A 41 6.802 -1.422 7.336 1.00 0.00 H new ATOM 654 N ALA A 42 5.745 1.099 9.290 1.00 0.00 N ATOM 655 CA ALA A 42 4.986 1.362 10.506 1.00 0.00 C ATOM 656 C ALA A 42 5.200 2.795 10.948 1.00 0.00 C ATOM 657 O ALA A 42 4.302 3.439 11.487 1.00 0.00 O ATOM 658 CB ALA A 42 5.472 0.435 11.607 1.00 0.00 C ATOM 0 H ALA A 42 6.487 0.407 9.396 1.00 0.00 H new ATOM 0 HA ALA A 42 3.927 1.195 10.310 1.00 0.00 H new ATOM 0 HB1 ALA A 42 4.908 0.627 12.520 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.326 -0.601 11.301 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.531 0.613 11.791 1.00 0.00 H new ATOM 664 N ASN A 43 6.414 3.271 10.707 1.00 0.00 N ATOM 665 CA ASN A 43 6.810 4.616 11.061 1.00 0.00 C ATOM 666 C ASN A 43 6.096 5.632 10.188 1.00 0.00 C ATOM 667 O ASN A 43 5.743 6.717 10.621 1.00 0.00 O ATOM 668 CB ASN A 43 8.306 4.742 10.843 1.00 0.00 C ATOM 669 CG ASN A 43 8.861 5.962 11.577 1.00 0.00 C ATOM 670 OD1 ASN A 43 8.555 7.099 11.219 1.00 0.00 O ATOM 671 ND2 ASN A 43 9.668 5.790 12.586 1.00 0.00 N ATOM 0 H ASN A 43 7.151 2.728 10.258 1.00 0.00 H new ATOM 0 HA ASN A 43 6.549 4.808 12.102 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.807 3.841 11.196 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.517 4.826 9.777 1.00 0.00 H new ATOM 0 HD21 ASN A 43 10.047 6.598 13.080 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.921 4.847 12.882 1.00 0.00 H new ATOM 678 N LEU A 44 5.920 5.246 8.941 1.00 0.00 N ATOM 679 CA LEU A 44 5.274 6.073 7.935 1.00 0.00 C ATOM 680 C LEU A 44 3.822 6.138 8.239 1.00 0.00 C ATOM 681 O LEU A 44 3.198 7.187 8.168 1.00 0.00 O ATOM 682 CB LEU A 44 5.569 5.444 6.586 1.00 0.00 C ATOM 683 CG LEU A 44 7.090 5.354 6.510 1.00 0.00 C ATOM 684 CD1 LEU A 44 7.541 4.454 5.382 1.00 0.00 C ATOM 685 CD2 LEU A 44 7.641 6.757 6.372 1.00 0.00 C ATOM 0 H LEU A 44 6.224 4.338 8.590 1.00 0.00 H new ATOM 0 HA LEU A 44 5.644 7.098 7.927 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.112 4.458 6.503 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.169 6.050 5.773 1.00 0.00 H new ATOM 0 HG LEU A 44 7.478 4.901 7.423 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.630 4.416 5.360 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.145 3.450 5.537 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.173 4.846 4.434 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.729 6.717 6.316 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.247 7.215 5.464 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.344 7.351 7.236 1.00 0.00 H new ATOM 697 N LEU A 45 3.337 5.005 8.675 1.00 0.00 N ATOM 698 CA LEU A 45 1.971 4.884 9.129 1.00 0.00 C ATOM 699 C LEU A 45 1.837 5.755 10.369 1.00 0.00 C ATOM 700 O LEU A 45 0.831 6.426 10.582 1.00 0.00 O ATOM 701 CB LEU A 45 1.666 3.414 9.447 1.00 0.00 C ATOM 702 CG LEU A 45 0.417 3.295 10.331 1.00 0.00 C ATOM 703 CD1 LEU A 45 -0.794 3.914 9.624 1.00 0.00 C ATOM 704 CD2 LEU A 45 0.156 1.815 10.620 1.00 0.00 C ATOM 0 H LEU A 45 3.875 4.140 8.727 1.00 0.00 H new ATOM 0 HA LEU A 45 1.262 5.208 8.367 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.515 2.861 8.520 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.519 2.962 9.953 1.00 0.00 H new ATOM 0 HG LEU A 45 0.579 3.831 11.266 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.673 3.823 10.262 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.599 4.967 9.423 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.972 3.392 8.684 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.730 1.718 11.248 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.004 1.284 9.682 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.016 1.388 11.137 1.00 0.00 H new ATOM 716 N ALA A 46 2.904 5.748 11.161 1.00 0.00 N ATOM 717 CA ALA A 46 2.972 6.541 12.373 1.00 0.00 C ATOM 718 C ALA A 46 2.919 8.010 12.023 1.00 0.00 C ATOM 719 O ALA A 46 2.169 8.791 12.610 1.00 0.00 O ATOM 720 CB ALA A 46 4.291 6.270 13.097 1.00 0.00 C ATOM 0 H ALA A 46 3.740 5.193 10.978 1.00 0.00 H new ATOM 0 HA ALA A 46 2.131 6.274 13.013 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.336 6.869 14.007 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.354 5.213 13.355 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.124 6.535 12.446 1.00 0.00 H new ATOM 726 N GLU A 47 3.721 8.351 11.029 1.00 0.00 N ATOM 727 CA GLU A 47 3.809 9.692 10.522 1.00 0.00 C ATOM 728 C GLU A 47 2.482 10.097 9.944 1.00 0.00 C ATOM 729 O GLU A 47 2.050 11.231 10.078 1.00 0.00 O ATOM 730 CB GLU A 47 4.843 9.716 9.407 1.00 0.00 C ATOM 731 CG GLU A 47 6.269 9.781 9.944 1.00 0.00 C ATOM 732 CD GLU A 47 6.431 10.914 10.965 1.00 0.00 C ATOM 733 OE1 GLU A 47 6.103 12.043 10.633 1.00 0.00 O ATOM 734 OE2 GLU A 47 6.881 10.633 12.063 1.00 0.00 O ATOM 0 H GLU A 47 4.333 7.689 10.552 1.00 0.00 H new ATOM 0 HA GLU A 47 4.087 10.374 11.326 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.730 8.825 8.790 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.660 10.576 8.763 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.528 8.830 10.409 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.964 9.931 9.118 1.00 0.00 H new ATOM 741 N ALA A 48 1.852 9.141 9.294 1.00 0.00 N ATOM 742 CA ALA A 48 0.581 9.365 8.677 1.00 0.00 C ATOM 743 C ALA A 48 -0.457 9.648 9.734 1.00 0.00 C ATOM 744 O ALA A 48 -1.171 10.629 9.640 1.00 0.00 O ATOM 745 CB ALA A 48 0.215 8.128 7.891 1.00 0.00 C ATOM 0 H ALA A 48 2.213 8.193 9.184 1.00 0.00 H new ATOM 0 HA ALA A 48 0.627 10.225 8.009 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.752 8.275 7.411 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.973 7.943 7.130 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.159 7.272 8.564 1.00 0.00 H new ATOM 751 N LYS A 49 -0.495 8.805 10.765 1.00 0.00 N ATOM 752 CA LYS A 49 -1.423 9.011 11.866 1.00 0.00 C ATOM 753 C LYS A 49 -1.137 10.358 12.499 1.00 0.00 C ATOM 754 O LYS A 49 -2.046 11.024 12.991 1.00 0.00 O ATOM 755 CB LYS A 49 -1.292 7.894 12.909 1.00 0.00 C ATOM 756 CG LYS A 49 -1.871 6.588 12.346 1.00 0.00 C ATOM 757 CD LYS A 49 -1.834 5.497 13.424 1.00 0.00 C ATOM 758 CE LYS A 49 -2.329 4.171 12.835 1.00 0.00 C ATOM 759 NZ LYS A 49 -2.822 3.292 13.932 1.00 0.00 N ATOM 0 H LYS A 49 0.101 7.982 10.857 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.444 8.990 11.485 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.244 7.753 13.175 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.818 8.172 13.822 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.896 6.748 12.012 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.298 6.271 11.475 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.819 5.381 13.803 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.459 5.786 14.269 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.127 4.356 12.116 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.522 3.677 12.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.158 2.393 13.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.049 3.106 14.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.605 3.763 14.429 1.00 0.00 H new ATOM 773 N LYS A 50 0.135 10.766 12.450 1.00 0.00 N ATOM 774 CA LYS A 50 0.529 12.047 12.991 1.00 0.00 C ATOM 775 C LYS A 50 0.068 13.160 12.073 1.00 0.00 C ATOM 776 O LYS A 50 -0.408 14.200 12.531 1.00 0.00 O ATOM 777 CB LYS A 50 2.048 12.095 13.199 1.00 0.00 C ATOM 778 CG LYS A 50 2.412 11.359 14.498 1.00 0.00 C ATOM 779 CD LYS A 50 3.932 11.421 14.730 1.00 0.00 C ATOM 780 CE LYS A 50 4.567 10.070 14.385 1.00 0.00 C ATOM 781 NZ LYS A 50 6.024 10.113 14.691 1.00 0.00 N ATOM 0 H LYS A 50 0.896 10.224 12.042 1.00 0.00 H new ATOM 0 HA LYS A 50 0.054 12.185 13.962 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.556 11.633 12.352 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.386 13.130 13.248 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.889 11.811 15.341 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.087 10.320 14.441 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.371 12.207 14.115 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.140 11.676 15.769 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.088 9.275 14.956 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.413 9.842 13.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.320 9.203 15.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.557 10.292 13.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.213 10.875 15.373 1.00 0.00 H new ATOM 795 N LEU A 51 0.191 12.919 10.774 1.00 0.00 N ATOM 796 CA LEU A 51 -0.235 13.889 9.783 1.00 0.00 C ATOM 797 C LEU A 51 -1.750 13.971 9.769 1.00 0.00 C ATOM 798 O LEU A 51 -2.325 15.058 9.731 1.00 0.00 O ATOM 799 CB LEU A 51 0.292 13.520 8.390 1.00 0.00 C ATOM 800 CG LEU A 51 1.610 14.253 8.089 1.00 0.00 C ATOM 801 CD1 LEU A 51 1.442 15.765 8.289 1.00 0.00 C ATOM 802 CD2 LEU A 51 2.728 13.722 8.999 1.00 0.00 C ATOM 0 H LEU A 51 0.582 12.061 10.386 1.00 0.00 H new ATOM 0 HA LEU A 51 0.176 14.863 10.049 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.448 12.443 8.330 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.452 13.777 7.636 1.00 0.00 H new ATOM 0 HG LEU A 51 1.880 14.068 7.049 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.384 16.268 8.072 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.669 16.137 7.617 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.153 15.966 9.321 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.657 14.247 8.778 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.457 13.887 10.042 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.864 12.655 8.823 1.00 0.00 H new ATOM 814 N ASN A 52 -2.385 12.802 9.826 1.00 0.00 N ATOM 815 CA ASN A 52 -3.822 12.709 9.852 1.00 0.00 C ATOM 816 C ASN A 52 -4.317 13.419 11.095 1.00 0.00 C ATOM 817 O ASN A 52 -5.246 14.214 11.042 1.00 0.00 O ATOM 818 CB ASN A 52 -4.217 11.221 9.880 1.00 0.00 C ATOM 819 CG ASN A 52 -5.182 10.907 11.014 1.00 0.00 C ATOM 820 OD1 ASN A 52 -6.445 11.020 10.798 1.00 0.00 O flip ATOM 821 ND2 ASN A 52 -4.767 10.547 12.115 1.00 0.00 N flip ATOM 0 H ASN A 52 -1.908 11.901 9.855 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.266 13.173 8.972 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -4.675 10.950 8.929 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.321 10.610 9.988 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -3.764 10.460 12.278 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.426 10.336 12.864 1.00 0.00 H new ATOM 828 N ASP A 53 -3.655 13.120 12.212 1.00 0.00 N ATOM 829 CA ASP A 53 -4.007 13.732 13.480 1.00 0.00 C ATOM 830 C ASP A 53 -3.803 15.238 13.409 1.00 0.00 C ATOM 831 O ASP A 53 -4.641 16.014 13.873 1.00 0.00 O ATOM 832 CB ASP A 53 -3.171 13.139 14.618 1.00 0.00 C ATOM 833 CG ASP A 53 -3.412 13.910 15.917 1.00 0.00 C ATOM 834 OD1 ASP A 53 -4.477 13.753 16.490 1.00 0.00 O ATOM 835 OD2 ASP A 53 -2.531 14.655 16.312 1.00 0.00 O ATOM 0 H ASP A 53 -2.878 12.461 12.259 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.058 13.526 13.682 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.429 12.089 14.758 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.113 13.175 14.357 1.00 0.00 H new ATOM 840 N ALA A 54 -2.688 15.638 12.802 1.00 0.00 N ATOM 841 CA ALA A 54 -2.371 17.044 12.641 1.00 0.00 C ATOM 842 C ALA A 54 -3.437 17.710 11.778 1.00 0.00 C ATOM 843 O ALA A 54 -3.843 18.844 12.034 1.00 0.00 O ATOM 844 CB ALA A 54 -0.998 17.185 11.979 1.00 0.00 C ATOM 0 H ALA A 54 -1.991 15.002 12.415 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.348 17.529 13.617 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.759 18.242 11.858 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.242 16.712 12.605 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.014 16.702 11.002 1.00 0.00 H new ATOM 850 N GLN A 55 -3.896 16.971 10.764 1.00 0.00 N ATOM 851 CA GLN A 55 -4.932 17.458 9.861 1.00 0.00 C ATOM 852 C GLN A 55 -6.328 17.166 10.422 1.00 0.00 C ATOM 853 O GLN A 55 -7.335 17.579 9.843 1.00 0.00 O ATOM 854 CB GLN A 55 -4.752 16.783 8.502 1.00 0.00 C ATOM 855 CG GLN A 55 -3.516 17.365 7.802 1.00 0.00 C ATOM 856 CD GLN A 55 -3.125 16.487 6.623 1.00 0.00 C ATOM 857 OE1 GLN A 55 -2.690 15.282 6.848 1.00 0.00 O flip ATOM 858 NE2 GLN A 55 -3.220 16.903 5.469 1.00 0.00 N flip ATOM 0 H GLN A 55 -3.563 16.031 10.551 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.840 18.539 9.754 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.637 15.707 8.631 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.638 16.938 7.887 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.726 18.378 7.458 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.687 17.433 8.506 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.561 17.848 5.294 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.957 16.303 4.687 1.00 0.00 H new ATOM 867 N ALA A 56 -6.373 16.458 11.555 1.00 0.00 N ATOM 868 CA ALA A 56 -7.639 16.117 12.203 1.00 0.00 C ATOM 869 C ALA A 56 -8.025 17.204 13.198 1.00 0.00 C ATOM 870 O ALA A 56 -7.202 17.605 14.021 1.00 0.00 O ATOM 871 CB ALA A 56 -7.521 14.772 12.932 1.00 0.00 C ATOM 0 H ALA A 56 -5.546 16.111 12.041 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.410 16.039 11.436 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.471 14.532 13.409 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.267 13.991 12.215 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.740 14.836 13.690 1.00 0.00 H new ATOM 877 N PRO A 57 -9.249 17.697 13.129 1.00 0.00 N ATOM 878 CA PRO A 57 -9.761 18.760 14.025 1.00 0.00 C ATOM 879 C PRO A 57 -9.376 18.554 15.480 1.00 0.00 C ATOM 880 O PRO A 57 -9.326 17.431 15.987 1.00 0.00 O ATOM 881 CB PRO A 57 -11.284 18.682 13.876 1.00 0.00 C ATOM 882 CG PRO A 57 -11.564 17.555 12.958 1.00 0.00 C ATOM 883 CD PRO A 57 -10.294 17.329 12.175 1.00 0.00 C ATOM 0 HA PRO A 57 -9.339 19.727 13.751 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -11.760 18.521 14.843 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -11.682 19.615 13.477 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -11.844 16.660 13.514 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -12.395 17.791 12.293 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -10.198 16.292 11.852 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -10.257 17.947 11.278 1.00 0.00 H new ATOM 891 N LYS A 58 -9.122 19.672 16.118 1.00 0.00 N ATOM 892 CA LYS A 58 -8.741 19.713 17.532 1.00 0.00 C ATOM 893 C LYS A 58 -9.342 20.941 18.218 1.00 0.00 C ATOM 894 O LYS A 58 -9.821 20.799 19.332 1.00 0.00 O ATOM 895 CB LYS A 58 -7.221 19.745 17.663 1.00 0.00 C ATOM 896 CG LYS A 58 -6.633 18.392 17.249 1.00 0.00 C ATOM 897 CD LYS A 58 -5.108 18.427 17.388 1.00 0.00 C ATOM 898 CE LYS A 58 -4.510 17.093 16.918 1.00 0.00 C ATOM 899 NZ LYS A 58 -3.419 17.355 15.937 1.00 0.00 N ATOM 900 OXT LYS A 58 -9.314 22.006 17.621 1.00 0.00 O ATOM 0 H LYS A 58 -9.171 20.591 15.678 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.127 18.817 18.017 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.810 20.537 17.037 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -6.941 19.974 18.691 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.046 17.599 17.872 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.909 18.165 16.219 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.699 19.247 16.798 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -4.833 18.613 18.426 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.121 16.536 17.771 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.284 16.476 16.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.653 16.666 16.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.792 17.265 14.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -3.050 18.317 16.077 1.00 0.00 H new TER 914 LYS A 58 ATOM 915 N VAL B 1 -16.053 -2.193 4.672 1.00 0.00 N ATOM 916 CA VAL B 1 -16.093 -3.684 4.683 1.00 0.00 C ATOM 917 C VAL B 1 -15.515 -4.207 3.370 1.00 0.00 C ATOM 918 O VAL B 1 -15.691 -3.591 2.317 1.00 0.00 O ATOM 919 CB VAL B 1 -17.547 -4.160 4.853 1.00 0.00 C ATOM 920 CG1 VAL B 1 -17.588 -5.692 4.954 1.00 0.00 C ATOM 921 CG2 VAL B 1 -18.144 -3.552 6.131 1.00 0.00 C ATOM 0 H1 VAL B 1 -16.081 -1.838 5.649 1.00 0.00 H new ATOM 0 H2 VAL B 1 -15.177 -1.873 4.212 1.00 0.00 H new ATOM 0 H3 VAL B 1 -16.873 -1.828 4.147 1.00 0.00 H new ATOM 0 HA VAL B 1 -15.501 -4.066 5.514 1.00 0.00 H new ATOM 0 HB VAL B 1 -18.128 -3.839 3.988 1.00 0.00 H new ATOM 0 HG11 VAL B 1 -18.620 -6.021 5.074 1.00 0.00 H new ATOM 0 HG12 VAL B 1 -17.171 -6.128 4.046 1.00 0.00 H new ATOM 0 HG13 VAL B 1 -17.001 -6.016 5.814 1.00 0.00 H new ATOM 0 HG21 VAL B 1 -19.173 -3.891 6.249 1.00 0.00 H new ATOM 0 HG22 VAL B 1 -17.557 -3.869 6.993 1.00 0.00 H new ATOM 0 HG23 VAL B 1 -18.126 -2.465 6.059 1.00 0.00 H new ATOM 933 N ASP B 2 -14.825 -5.346 3.449 1.00 0.00 N ATOM 934 CA ASP B 2 -14.212 -5.960 2.270 1.00 0.00 C ATOM 935 C ASP B 2 -14.296 -7.484 2.347 1.00 0.00 C ATOM 936 O ASP B 2 -14.715 -8.046 3.362 1.00 0.00 O ATOM 937 CB ASP B 2 -12.746 -5.521 2.159 1.00 0.00 C ATOM 938 CG ASP B 2 -12.666 -3.998 2.040 1.00 0.00 C ATOM 939 OD1 ASP B 2 -13.008 -3.486 0.986 1.00 0.00 O ATOM 940 OD2 ASP B 2 -12.270 -3.365 3.004 1.00 0.00 O ATOM 0 H ASP B 2 -14.677 -5.862 4.316 1.00 0.00 H new ATOM 0 HA ASP B 2 -14.756 -5.631 1.385 1.00 0.00 H new ATOM 0 HB2 ASP B 2 -12.190 -5.856 3.035 1.00 0.00 H new ATOM 0 HB3 ASP B 2 -12.283 -5.987 1.290 1.00 0.00 H new ATOM 945 N ASN B 3 -13.899 -8.141 1.255 1.00 0.00 N ATOM 946 CA ASN B 3 -13.927 -9.600 1.170 1.00 0.00 C ATOM 947 C ASN B 3 -12.962 -10.234 2.180 1.00 0.00 C ATOM 948 O ASN B 3 -12.254 -9.531 2.908 1.00 0.00 O ATOM 949 CB ASN B 3 -13.549 -10.031 -0.261 1.00 0.00 C ATOM 950 CG ASN B 3 -13.969 -11.478 -0.534 1.00 0.00 C ATOM 951 OD1 ASN B 3 -14.858 -12.014 0.131 1.00 0.00 O ATOM 952 ND2 ASN B 3 -13.374 -12.149 -1.480 1.00 0.00 N ATOM 0 H ASN B 3 -13.553 -7.681 0.413 1.00 0.00 H new ATOM 0 HA ASN B 3 -14.933 -9.944 1.409 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -14.029 -9.369 -0.982 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -12.473 -9.929 -0.402 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -13.644 -13.114 -1.668 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -12.638 -11.709 -2.032 1.00 0.00 H new ATOM 959 N LYS B 4 -12.938 -11.571 2.207 1.00 0.00 N ATOM 960 CA LYS B 4 -12.059 -12.320 3.114 1.00 0.00 C ATOM 961 C LYS B 4 -10.586 -11.987 2.863 1.00 0.00 C ATOM 962 O LYS B 4 -9.704 -12.423 3.604 1.00 0.00 O ATOM 963 CB LYS B 4 -12.281 -13.834 2.941 1.00 0.00 C ATOM 964 CG LYS B 4 -12.228 -14.219 1.446 1.00 0.00 C ATOM 965 CD LYS B 4 -11.173 -15.313 1.209 1.00 0.00 C ATOM 966 CE LYS B 4 -9.755 -14.724 1.304 1.00 0.00 C ATOM 967 NZ LYS B 4 -8.869 -15.390 0.307 1.00 0.00 N ATOM 0 H LYS B 4 -13.519 -12.159 1.609 1.00 0.00 H new ATOM 0 HA LYS B 4 -12.309 -12.028 4.134 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -11.519 -14.385 3.492 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -13.246 -14.117 3.362 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -13.206 -14.572 1.120 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -11.991 -13.340 0.846 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -11.293 -16.108 1.945 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -11.321 -15.763 0.227 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -9.783 -13.650 1.120 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -9.358 -14.865 2.309 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -7.969 -15.649 0.760 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -9.335 -16.247 -0.053 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -8.684 -14.739 -0.483 1.00 0.00 H new ATOM 981 N PHE B 5 -10.338 -11.232 1.797 1.00 0.00 N ATOM 982 CA PHE B 5 -8.994 -10.847 1.412 1.00 0.00 C ATOM 983 C PHE B 5 -8.364 -9.859 2.389 1.00 0.00 C ATOM 984 O PHE B 5 -7.288 -9.374 2.139 1.00 0.00 O ATOM 985 CB PHE B 5 -9.018 -10.262 -0.004 1.00 0.00 C ATOM 986 CG PHE B 5 -9.137 -11.399 -0.986 1.00 0.00 C ATOM 987 CD1 PHE B 5 -10.293 -12.187 -0.995 1.00 0.00 C ATOM 988 CD2 PHE B 5 -8.090 -11.679 -1.871 1.00 0.00 C ATOM 989 CE1 PHE B 5 -10.401 -13.257 -1.886 1.00 0.00 C ATOM 990 CE2 PHE B 5 -8.200 -12.746 -2.766 1.00 0.00 C ATOM 991 CZ PHE B 5 -9.354 -13.537 -2.773 1.00 0.00 C ATOM 0 H PHE B 5 -11.066 -10.873 1.179 1.00 0.00 H new ATOM 0 HA PHE B 5 -8.373 -11.743 1.433 1.00 0.00 H new ATOM 0 HB2 PHE B 5 -9.856 -9.575 -0.116 1.00 0.00 H new ATOM 0 HB3 PHE B 5 -8.109 -9.690 -0.194 1.00 0.00 H new ATOM 0 HD1 PHE B 5 -11.101 -11.968 -0.313 1.00 0.00 H new ATOM 0 HD2 PHE B 5 -7.198 -11.071 -1.862 1.00 0.00 H new ATOM 0 HE1 PHE B 5 -11.291 -13.868 -1.891 1.00 0.00 H new ATOM 0 HE2 PHE B 5 -7.394 -12.960 -3.452 1.00 0.00 H new ATOM 0 HZ PHE B 5 -9.437 -14.364 -3.463 1.00 0.00 H new ATOM 1001 N ASN B 6 -8.994 -9.582 3.522 1.00 0.00 N ATOM 1002 CA ASN B 6 -8.366 -8.673 4.492 1.00 0.00 C ATOM 1003 C ASN B 6 -6.965 -9.186 4.815 1.00 0.00 C ATOM 1004 O ASN B 6 -6.036 -8.400 4.943 1.00 0.00 O ATOM 1005 CB ASN B 6 -9.219 -8.541 5.766 1.00 0.00 C ATOM 1006 CG ASN B 6 -9.443 -9.896 6.452 1.00 0.00 C ATOM 1007 OD1 ASN B 6 -9.277 -11.008 5.790 1.00 0.00 O flip ATOM 1008 ND2 ASN B 6 -9.783 -9.936 7.633 1.00 0.00 N flip ATOM 0 H ASN B 6 -9.905 -9.953 3.793 1.00 0.00 H new ATOM 0 HA ASN B 6 -8.293 -7.677 4.056 1.00 0.00 H new ATOM 0 HB2 ASN B 6 -8.729 -7.859 6.461 1.00 0.00 H new ATOM 0 HB3 ASN B 6 -10.183 -8.099 5.513 1.00 0.00 H new ATOM 0 HD21 ASN B 6 -9.914 -9.070 8.156 1.00 0.00 H new ATOM 0 HD22 ASN B 6 -9.934 -10.835 8.090 1.00 0.00 H new ATOM 1015 N LYS B 7 -6.832 -10.512 4.877 1.00 0.00 N ATOM 1016 CA LYS B 7 -5.549 -11.166 5.099 1.00 0.00 C ATOM 1017 C LYS B 7 -4.709 -11.144 3.816 1.00 0.00 C ATOM 1018 O LYS B 7 -3.513 -10.877 3.847 1.00 0.00 O ATOM 1019 CB LYS B 7 -5.784 -12.620 5.535 1.00 0.00 C ATOM 1020 CG LYS B 7 -4.442 -13.337 5.751 1.00 0.00 C ATOM 1021 CD LYS B 7 -4.694 -14.819 6.059 1.00 0.00 C ATOM 1022 CE LYS B 7 -3.364 -15.580 6.078 1.00 0.00 C ATOM 1023 NZ LYS B 7 -2.814 -15.653 4.693 1.00 0.00 N ATOM 0 H LYS B 7 -7.613 -11.160 4.774 1.00 0.00 H new ATOM 0 HA LYS B 7 -5.010 -10.630 5.881 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -6.367 -12.641 6.456 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -6.366 -13.144 4.777 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -3.819 -13.241 4.861 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -3.898 -12.872 6.573 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -5.195 -14.919 7.022 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -5.358 -15.248 5.308 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -2.655 -15.078 6.737 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -3.513 -16.584 6.475 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -2.556 -16.636 4.473 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -3.532 -15.324 4.016 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -1.970 -15.049 4.622 1.00 0.00 H new ATOM 1037 N GLU B 8 -5.360 -11.495 2.702 1.00 0.00 N ATOM 1038 CA GLU B 8 -4.705 -11.589 1.390 1.00 0.00 C ATOM 1039 C GLU B 8 -4.359 -10.222 0.785 1.00 0.00 C ATOM 1040 O GLU B 8 -3.275 -10.033 0.228 1.00 0.00 O ATOM 1041 CB GLU B 8 -5.644 -12.329 0.421 1.00 0.00 C ATOM 1042 CG GLU B 8 -6.023 -13.714 0.975 1.00 0.00 C ATOM 1043 CD GLU B 8 -4.785 -14.471 1.465 1.00 0.00 C ATOM 1044 OE1 GLU B 8 -3.911 -14.733 0.654 1.00 0.00 O ATOM 1045 OE2 GLU B 8 -4.724 -14.764 2.650 1.00 0.00 O ATOM 0 H GLU B 8 -6.354 -11.722 2.683 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.767 -12.124 1.538 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -6.546 -11.738 0.259 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -5.158 -12.441 -0.548 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -6.731 -13.599 1.796 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -6.524 -14.294 0.200 1.00 0.00 H new ATOM 1052 N ARG B 9 -5.307 -9.299 0.870 1.00 0.00 N ATOM 1053 CA ARG B 9 -5.156 -7.959 0.307 1.00 0.00 C ATOM 1054 C ARG B 9 -3.989 -7.214 0.943 1.00 0.00 C ATOM 1055 O ARG B 9 -3.209 -6.584 0.249 1.00 0.00 O ATOM 1056 CB ARG B 9 -6.427 -7.129 0.557 1.00 0.00 C ATOM 1057 CG ARG B 9 -6.261 -5.731 -0.068 1.00 0.00 C ATOM 1058 CD ARG B 9 -7.192 -4.726 0.609 1.00 0.00 C ATOM 1059 NE ARG B 9 -8.554 -4.950 0.176 1.00 0.00 N ATOM 1060 CZ ARG B 9 -9.564 -4.242 0.662 1.00 0.00 C ATOM 1061 NH1 ARG B 9 -9.678 -4.068 1.948 1.00 0.00 N ATOM 1062 NH2 ARG B 9 -10.438 -3.720 -0.147 1.00 0.00 N ATOM 0 H ARG B 9 -6.204 -9.455 1.331 1.00 0.00 H new ATOM 0 HA ARG B 9 -4.975 -8.082 -0.761 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -7.293 -7.631 0.125 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -6.611 -7.040 1.628 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -5.227 -5.402 0.033 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -6.479 -5.775 -1.135 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -7.124 -4.826 1.692 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -6.885 -3.709 0.363 1.00 0.00 H new ATOM 0 HE ARG B 9 -8.742 -5.671 -0.521 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -8.990 -4.476 2.581 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -10.455 -3.523 2.322 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -10.346 -3.856 -1.154 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -11.216 -3.175 0.225 1.00 0.00 H new ATOM 1076 N VAL B 10 -3.891 -7.287 2.268 1.00 0.00 N ATOM 1077 CA VAL B 10 -2.834 -6.586 2.997 1.00 0.00 C ATOM 1078 C VAL B 10 -1.466 -7.004 2.467 1.00 0.00 C ATOM 1079 O VAL B 10 -0.566 -6.172 2.347 1.00 0.00 O ATOM 1080 CB VAL B 10 -3.013 -6.764 4.528 1.00 0.00 C ATOM 1081 CG1 VAL B 10 -3.268 -8.216 4.898 1.00 0.00 C ATOM 1082 CG2 VAL B 10 -1.799 -6.228 5.316 1.00 0.00 C ATOM 0 H VAL B 10 -4.528 -7.822 2.858 1.00 0.00 H new ATOM 0 HA VAL B 10 -2.907 -5.512 2.823 1.00 0.00 H new ATOM 0 HB VAL B 10 -3.888 -6.176 4.805 1.00 0.00 H new ATOM 0 HG11 VAL B 10 -3.388 -8.301 5.978 1.00 0.00 H new ATOM 0 HG12 VAL B 10 -4.175 -8.564 4.404 1.00 0.00 H new ATOM 0 HG13 VAL B 10 -2.424 -8.827 4.578 1.00 0.00 H new ATOM 0 HG21 VAL B 10 -1.966 -6.372 6.383 1.00 0.00 H new ATOM 0 HG22 VAL B 10 -0.902 -6.767 5.013 1.00 0.00 H new ATOM 0 HG23 VAL B 10 -1.671 -5.165 5.109 1.00 0.00 H new ATOM 1092 N ILE B 11 -1.332 -8.272 2.090 1.00 0.00 N ATOM 1093 CA ILE B 11 -0.080 -8.746 1.505 1.00 0.00 C ATOM 1094 C ILE B 11 0.110 -8.139 0.102 1.00 0.00 C ATOM 1095 O ILE B 11 1.213 -7.718 -0.240 1.00 0.00 O ATOM 1096 CB ILE B 11 -0.073 -10.278 1.437 1.00 0.00 C ATOM 1097 CG1 ILE B 11 -0.395 -10.825 2.832 1.00 0.00 C ATOM 1098 CG2 ILE B 11 1.315 -10.770 1.009 1.00 0.00 C ATOM 1099 CD1 ILE B 11 0.073 -12.277 2.979 1.00 0.00 C ATOM 0 H ILE B 11 -2.061 -8.980 2.176 1.00 0.00 H new ATOM 0 HA ILE B 11 0.749 -8.427 2.136 1.00 0.00 H new ATOM 0 HB ILE B 11 -0.812 -10.622 0.714 1.00 0.00 H new ATOM 0 HG12 ILE B 11 0.088 -10.206 3.589 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -1.469 -10.766 3.010 1.00 0.00 H new ATOM 0 HG21 ILE B 11 1.316 -11.859 0.962 1.00 0.00 H new ATOM 0 HG22 ILE B 11 1.558 -10.364 0.027 1.00 0.00 H new ATOM 0 HG23 ILE B 11 2.058 -10.437 1.734 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -0.169 -12.638 3.979 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -0.430 -12.898 2.238 1.00 0.00 H new ATOM 0 HD13 ILE B 11 1.151 -12.329 2.825 1.00 0.00 H new ATOM 1111 N ALA B 12 -0.978 -8.077 -0.694 1.00 0.00 N ATOM 1112 CA ALA B 12 -0.927 -7.503 -2.039 1.00 0.00 C ATOM 1113 C ALA B 12 -0.625 -6.033 -1.973 1.00 0.00 C ATOM 1114 O ALA B 12 0.178 -5.551 -2.757 1.00 0.00 O ATOM 1115 CB ALA B 12 -2.263 -7.712 -2.754 1.00 0.00 C ATOM 0 H ALA B 12 -1.899 -8.420 -0.421 1.00 0.00 H new ATOM 0 HA ALA B 12 -0.135 -8.006 -2.594 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -2.212 -7.280 -3.754 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -2.472 -8.779 -2.830 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -3.058 -7.226 -2.189 1.00 0.00 H new ATOM 1121 N ILE B 13 -1.230 -5.337 -1.011 1.00 0.00 N ATOM 1122 CA ILE B 13 -0.971 -3.917 -0.849 1.00 0.00 C ATOM 1123 C ILE B 13 0.520 -3.771 -0.648 1.00 0.00 C ATOM 1124 O ILE B 13 1.150 -2.930 -1.258 1.00 0.00 O ATOM 1125 CB ILE B 13 -1.743 -3.362 0.369 1.00 0.00 C ATOM 1126 CG1 ILE B 13 -3.249 -3.525 0.145 1.00 0.00 C ATOM 1127 CG2 ILE B 13 -1.448 -1.871 0.558 1.00 0.00 C ATOM 1128 CD1 ILE B 13 -4.001 -3.302 1.437 1.00 0.00 C ATOM 0 H ILE B 13 -1.893 -5.731 -0.343 1.00 0.00 H new ATOM 0 HA ILE B 13 -1.303 -3.355 -1.722 1.00 0.00 H new ATOM 0 HB ILE B 13 -1.426 -3.915 1.253 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -3.590 -2.815 -0.609 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -3.460 -4.523 -0.238 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -2.000 -1.497 1.420 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -0.380 -1.729 0.722 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -1.754 -1.324 -0.334 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -5.070 -3.421 1.261 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -3.672 -4.029 2.180 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -3.804 -2.295 1.803 1.00 0.00 H new ATOM 1140 N GLY B 14 1.069 -4.656 0.173 1.00 0.00 N ATOM 1141 CA GLY B 14 2.502 -4.681 0.432 1.00 0.00 C ATOM 1142 C GLY B 14 3.267 -5.089 -0.809 1.00 0.00 C ATOM 1143 O GLY B 14 4.355 -4.590 -1.066 1.00 0.00 O ATOM 0 H GLY B 14 0.540 -5.370 0.674 1.00 0.00 H new ATOM 0 HA2 GLY B 14 2.834 -3.696 0.761 1.00 0.00 H new ATOM 0 HA3 GLY B 14 2.717 -5.377 1.242 1.00 0.00 H new ATOM 1147 N GLU B 15 2.694 -6.017 -1.566 1.00 0.00 N ATOM 1148 CA GLU B 15 3.339 -6.515 -2.758 1.00 0.00 C ATOM 1149 C GLU B 15 3.482 -5.397 -3.765 1.00 0.00 C ATOM 1150 O GLU B 15 4.529 -5.271 -4.399 1.00 0.00 O ATOM 1151 CB GLU B 15 2.541 -7.685 -3.326 1.00 0.00 C ATOM 1152 CG GLU B 15 3.487 -8.654 -4.056 1.00 0.00 C ATOM 1153 CD GLU B 15 4.499 -9.261 -3.073 1.00 0.00 C ATOM 1154 OE1 GLU B 15 4.075 -9.768 -2.047 1.00 0.00 O ATOM 1155 OE2 GLU B 15 5.682 -9.215 -3.366 1.00 0.00 O ATOM 0 H GLU B 15 1.785 -6.435 -1.369 1.00 0.00 H new ATOM 0 HA GLU B 15 4.338 -6.878 -2.515 1.00 0.00 H new ATOM 0 HB2 GLU B 15 2.020 -8.206 -2.523 1.00 0.00 H new ATOM 0 HB3 GLU B 15 1.779 -7.318 -4.014 1.00 0.00 H new ATOM 0 HG2 GLU B 15 2.909 -9.448 -4.529 1.00 0.00 H new ATOM 0 HG3 GLU B 15 4.015 -8.127 -4.851 1.00 0.00 H new ATOM 1162 N ILE B 16 2.452 -4.550 -3.882 1.00 0.00 N ATOM 1163 CA ILE B 16 2.564 -3.411 -4.810 1.00 0.00 C ATOM 1164 C ILE B 16 3.769 -2.578 -4.370 1.00 0.00 C ATOM 1165 O ILE B 16 4.646 -2.227 -5.160 1.00 0.00 O ATOM 1166 CB ILE B 16 1.348 -2.445 -4.774 1.00 0.00 C ATOM 1167 CG1 ILE B 16 0.001 -3.171 -4.722 1.00 0.00 C ATOM 1168 CG2 ILE B 16 1.374 -1.557 -6.024 1.00 0.00 C ATOM 1169 CD1 ILE B 16 -0.216 -3.975 -5.991 1.00 0.00 C ATOM 0 H ILE B 16 1.570 -4.621 -3.374 1.00 0.00 H new ATOM 0 HA ILE B 16 2.640 -3.831 -5.813 1.00 0.00 H new ATOM 0 HB ILE B 16 1.439 -1.858 -3.860 1.00 0.00 H new ATOM 0 HG12 ILE B 16 -0.030 -3.832 -3.856 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -0.805 -2.447 -4.600 1.00 0.00 H new ATOM 0 HG21 ILE B 16 0.523 -0.877 -6.005 1.00 0.00 H new ATOM 0 HG22 ILE B 16 2.299 -0.981 -6.042 1.00 0.00 H new ATOM 0 HG23 ILE B 16 1.319 -2.182 -6.915 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -1.178 -4.485 -5.939 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -0.207 -3.306 -6.852 1.00 0.00 H new ATOM 0 HD13 ILE B 16 0.580 -4.712 -6.095 1.00 0.00 H new ATOM 1181 N MET B 17 3.764 -2.284 -3.073 1.00 0.00 N ATOM 1182 CA MET B 17 4.804 -1.503 -2.412 1.00 0.00 C ATOM 1183 C MET B 17 6.169 -2.201 -2.514 1.00 0.00 C ATOM 1184 O MET B 17 7.209 -1.541 -2.499 1.00 0.00 O ATOM 1185 CB MET B 17 4.389 -1.291 -0.961 1.00 0.00 C ATOM 1186 CG MET B 17 2.973 -0.701 -0.916 1.00 0.00 C ATOM 1187 SD MET B 17 2.999 0.998 -1.492 1.00 0.00 S ATOM 1188 CE MET B 17 4.035 1.628 -0.172 1.00 0.00 C ATOM 0 H MET B 17 3.023 -2.588 -2.441 1.00 0.00 H new ATOM 0 HA MET B 17 4.914 -0.536 -2.904 1.00 0.00 H new ATOM 0 HB2 MET B 17 4.418 -2.238 -0.421 1.00 0.00 H new ATOM 0 HB3 MET B 17 5.090 -0.620 -0.465 1.00 0.00 H new ATOM 0 HG2 MET B 17 2.303 -1.294 -1.538 1.00 0.00 H new ATOM 0 HG3 MET B 17 2.585 -0.743 0.102 1.00 0.00 H new ATOM 0 HE1 MET B 17 3.601 2.545 0.225 1.00 0.00 H new ATOM 0 HE2 MET B 17 4.104 0.885 0.623 1.00 0.00 H new ATOM 0 HE3 MET B 17 5.032 1.837 -0.560 1.00 0.00 H new ATOM 1198 N ARG B 18 6.163 -3.537 -2.630 1.00 0.00 N ATOM 1199 CA ARG B 18 7.405 -4.299 -2.763 1.00 0.00 C ATOM 1200 C ARG B 18 8.004 -4.118 -4.154 1.00 0.00 C ATOM 1201 O ARG B 18 9.227 -4.059 -4.301 1.00 0.00 O ATOM 1202 CB ARG B 18 7.160 -5.778 -2.508 1.00 0.00 C ATOM 1203 CG ARG B 18 6.926 -6.022 -1.013 1.00 0.00 C ATOM 1204 CD ARG B 18 7.834 -7.143 -0.514 1.00 0.00 C ATOM 1205 NE ARG B 18 7.432 -8.417 -1.110 1.00 0.00 N ATOM 1206 CZ ARG B 18 7.423 -9.544 -0.405 1.00 0.00 C ATOM 1207 NH1 ARG B 18 8.514 -9.965 0.169 1.00 0.00 N ATOM 1208 NH2 ARG B 18 6.324 -10.231 -0.295 1.00 0.00 N ATOM 0 H ARG B 18 5.316 -4.105 -2.634 1.00 0.00 H new ATOM 0 HA ARG B 18 8.107 -3.920 -2.020 1.00 0.00 H new ATOM 0 HB2 ARG B 18 6.295 -6.115 -3.079 1.00 0.00 H new ATOM 0 HB3 ARG B 18 8.015 -6.361 -2.850 1.00 0.00 H new ATOM 0 HG2 ARG B 18 7.123 -5.108 -0.453 1.00 0.00 H new ATOM 0 HG3 ARG B 18 5.883 -6.284 -0.839 1.00 0.00 H new ATOM 0 HD2 ARG B 18 8.870 -6.924 -0.770 1.00 0.00 H new ATOM 0 HD3 ARG B 18 7.781 -7.208 0.573 1.00 0.00 H new ATOM 0 HE ARG B 18 7.152 -8.441 -2.090 1.00 0.00 H new ATOM 0 HH11 ARG B 18 9.377 -9.430 0.078 1.00 0.00 H new ATOM 0 HH12 ARG B 18 8.505 -10.830 0.709 1.00 0.00 H new ATOM 0 HH21 ARG B 18 5.471 -9.905 -0.749 1.00 0.00 H new ATOM 0 HH22 ARG B 18 6.315 -11.096 0.246 1.00 0.00 H new ATOM 1222 N LEU B 19 7.134 -4.028 -5.173 1.00 0.00 N ATOM 1223 CA LEU B 19 7.590 -3.850 -6.554 1.00 0.00 C ATOM 1224 C LEU B 19 8.473 -2.605 -6.652 1.00 0.00 C ATOM 1225 O LEU B 19 7.993 -1.487 -6.456 1.00 0.00 O ATOM 1226 CB LEU B 19 6.399 -3.689 -7.506 1.00 0.00 C ATOM 1227 CG LEU B 19 5.508 -4.937 -7.542 1.00 0.00 C ATOM 1228 CD1 LEU B 19 4.249 -4.611 -8.327 1.00 0.00 C ATOM 1229 CD2 LEU B 19 6.208 -6.081 -8.255 1.00 0.00 C ATOM 0 H LEU B 19 6.121 -4.075 -5.065 1.00 0.00 H new ATOM 0 HA LEU B 19 8.157 -4.736 -6.840 1.00 0.00 H new ATOM 0 HB2 LEU B 19 5.804 -2.830 -7.197 1.00 0.00 H new ATOM 0 HB3 LEU B 19 6.766 -3.478 -8.511 1.00 0.00 H new ATOM 0 HG LEU B 19 5.281 -5.230 -6.517 1.00 0.00 H new ATOM 0 HD11 LEU B 19 3.604 -5.489 -8.362 1.00 0.00 H new ATOM 0 HD12 LEU B 19 3.720 -3.791 -7.842 1.00 0.00 H new ATOM 0 HD13 LEU B 19 4.519 -4.318 -9.342 1.00 0.00 H new ATOM 0 HD21 LEU B 19 5.556 -6.955 -8.268 1.00 0.00 H new ATOM 0 HD22 LEU B 19 6.438 -5.785 -9.278 1.00 0.00 H new ATOM 0 HD23 LEU B 19 7.132 -6.325 -7.731 1.00 0.00 H new ATOM 1241 N PRO B 20 9.750 -2.774 -6.920 1.00 0.00 N ATOM 1242 CA PRO B 20 10.712 -1.641 -7.007 1.00 0.00 C ATOM 1243 C PRO B 20 10.627 -0.821 -8.304 1.00 0.00 C ATOM 1244 O PRO B 20 11.329 0.184 -8.429 1.00 0.00 O ATOM 1245 CB PRO B 20 12.088 -2.318 -6.885 1.00 0.00 C ATOM 1246 CG PRO B 20 11.854 -3.783 -6.718 1.00 0.00 C ATOM 1247 CD PRO B 20 10.434 -4.054 -7.171 1.00 0.00 C ATOM 0 HA PRO B 20 10.500 -0.907 -6.230 1.00 0.00 H new ATOM 0 HB2 PRO B 20 12.690 -2.125 -7.773 1.00 0.00 H new ATOM 0 HB3 PRO B 20 12.638 -1.918 -6.033 1.00 0.00 H new ATOM 0 HG2 PRO B 20 12.565 -4.358 -7.311 1.00 0.00 H new ATOM 0 HG3 PRO B 20 11.992 -4.080 -5.678 1.00 0.00 H new ATOM 0 HD2 PRO B 20 10.394 -4.332 -8.224 1.00 0.00 H new ATOM 0 HD3 PRO B 20 9.981 -4.870 -6.608 1.00 0.00 H new ATOM 1255 N ASN B 21 9.800 -1.244 -9.269 1.00 0.00 N ATOM 1256 CA ASN B 21 9.699 -0.510 -10.536 1.00 0.00 C ATOM 1257 C ASN B 21 8.404 0.301 -10.631 1.00 0.00 C ATOM 1258 O ASN B 21 8.283 1.161 -11.505 1.00 0.00 O ATOM 1259 CB ASN B 21 9.789 -1.481 -11.718 1.00 0.00 C ATOM 1260 CG ASN B 21 11.070 -2.313 -11.639 1.00 0.00 C ATOM 1261 OD1 ASN B 21 11.073 -3.527 -12.112 1.00 0.00 O flip ATOM 1262 ND2 ASN B 21 12.094 -1.845 -11.141 1.00 0.00 N flip ATOM 0 H ASN B 21 9.205 -2.070 -9.201 1.00 0.00 H new ATOM 0 HA ASN B 21 10.533 0.191 -10.571 1.00 0.00 H new ATOM 0 HB2 ASN B 21 8.921 -2.140 -11.720 1.00 0.00 H new ATOM 0 HB3 ASN B 21 9.769 -0.924 -12.655 1.00 0.00 H new ATOM 0 HD21 ASN B 21 12.093 -0.895 -10.770 1.00 0.00 H new ATOM 0 HD22 ASN B 21 12.944 -2.408 -11.099 1.00 0.00 H new ATOM 1269 N LEU B 22 7.437 0.039 -9.739 1.00 0.00 N ATOM 1270 CA LEU B 22 6.176 0.785 -9.774 1.00 0.00 C ATOM 1271 C LEU B 22 6.349 2.218 -9.302 1.00 0.00 C ATOM 1272 O LEU B 22 7.278 2.547 -8.565 1.00 0.00 O ATOM 1273 CB LEU B 22 5.093 0.133 -8.892 1.00 0.00 C ATOM 1274 CG LEU B 22 4.661 -1.231 -9.422 1.00 0.00 C ATOM 1275 CD1 LEU B 22 3.342 -1.647 -8.762 1.00 0.00 C ATOM 1276 CD2 LEU B 22 4.452 -1.145 -10.916 1.00 0.00 C ATOM 0 H LEU B 22 7.502 -0.665 -9.004 1.00 0.00 H new ATOM 0 HA LEU B 22 5.863 0.772 -10.818 1.00 0.00 H new ATOM 0 HB2 LEU B 22 5.472 0.022 -7.876 1.00 0.00 H new ATOM 0 HB3 LEU B 22 4.226 0.791 -8.839 1.00 0.00 H new ATOM 0 HG LEU B 22 5.434 -1.965 -9.194 1.00 0.00 H new ATOM 0 HD11 LEU B 22 3.036 -2.622 -9.143 1.00 0.00 H new ATOM 0 HD12 LEU B 22 3.478 -1.706 -7.682 1.00 0.00 H new ATOM 0 HD13 LEU B 22 2.572 -0.910 -8.991 1.00 0.00 H new ATOM 0 HD21 LEU B 22 4.143 -2.119 -11.297 1.00 0.00 H new ATOM 0 HD22 LEU B 22 3.679 -0.408 -11.133 1.00 0.00 H new ATOM 0 HD23 LEU B 22 5.383 -0.846 -11.397 1.00 0.00 H new ATOM 1288 N ASN B 23 5.401 3.048 -9.717 1.00 0.00 N ATOM 1289 CA ASN B 23 5.365 4.445 -9.328 1.00 0.00 C ATOM 1290 C ASN B 23 4.493 4.545 -8.081 1.00 0.00 C ATOM 1291 O ASN B 23 3.623 3.702 -7.877 1.00 0.00 O ATOM 1292 CB ASN B 23 4.776 5.242 -10.513 1.00 0.00 C ATOM 1293 CG ASN B 23 3.892 6.399 -10.083 1.00 0.00 C ATOM 1294 OD1 ASN B 23 2.753 6.506 -10.524 1.00 0.00 O ATOM 1295 ND2 ASN B 23 4.354 7.288 -9.271 1.00 0.00 N ATOM 0 H ASN B 23 4.637 2.768 -10.332 1.00 0.00 H new ATOM 0 HA ASN B 23 6.350 4.850 -9.097 1.00 0.00 H new ATOM 0 HB2 ASN B 23 5.593 5.626 -11.124 1.00 0.00 H new ATOM 0 HB3 ASN B 23 4.197 4.567 -11.143 1.00 0.00 H new ATOM 0 HD21 ASN B 23 3.772 8.079 -8.996 1.00 0.00 H new ATOM 0 HD22 ASN B 23 5.301 7.200 -8.904 1.00 0.00 H new ATOM 1302 N SER B 24 4.701 5.567 -7.259 1.00 0.00 N ATOM 1303 CA SER B 24 3.890 5.719 -6.051 1.00 0.00 C ATOM 1304 C SER B 24 2.425 5.850 -6.437 1.00 0.00 C ATOM 1305 O SER B 24 1.554 5.218 -5.841 1.00 0.00 O ATOM 1306 CB SER B 24 4.333 6.943 -5.248 1.00 0.00 C ATOM 1307 OG SER B 24 5.201 7.748 -6.037 1.00 0.00 O ATOM 0 H SER B 24 5.407 6.290 -7.399 1.00 0.00 H new ATOM 0 HA SER B 24 4.025 4.836 -5.426 1.00 0.00 H new ATOM 0 HB2 SER B 24 3.462 7.523 -4.942 1.00 0.00 H new ATOM 0 HB3 SER B 24 4.842 6.627 -4.337 1.00 0.00 H new ATOM 0 HG SER B 24 6.080 7.800 -5.607 1.00 0.00 H new ATOM 1313 N LEU B 25 2.174 6.652 -7.467 1.00 0.00 N ATOM 1314 CA LEU B 25 0.828 6.852 -7.971 1.00 0.00 C ATOM 1315 C LEU B 25 0.298 5.568 -8.603 1.00 0.00 C ATOM 1316 O LEU B 25 -0.874 5.232 -8.435 1.00 0.00 O ATOM 1317 CB LEU B 25 0.800 8.003 -8.988 1.00 0.00 C ATOM 1318 CG LEU B 25 0.137 9.222 -8.374 1.00 0.00 C ATOM 1319 CD1 LEU B 25 0.138 10.383 -9.376 1.00 0.00 C ATOM 1320 CD2 LEU B 25 -1.293 8.850 -7.998 1.00 0.00 C ATOM 0 H LEU B 25 2.892 7.175 -7.968 1.00 0.00 H new ATOM 0 HA LEU B 25 0.182 7.116 -7.134 1.00 0.00 H new ATOM 0 HB2 LEU B 25 1.815 8.249 -9.299 1.00 0.00 H new ATOM 0 HB3 LEU B 25 0.258 7.696 -9.882 1.00 0.00 H new ATOM 0 HG LEU B 25 0.684 9.540 -7.486 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -0.340 11.253 -8.925 1.00 0.00 H new ATOM 0 HD12 LEU B 25 1.165 10.631 -9.644 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -0.410 10.091 -10.272 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -1.789 9.713 -7.554 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -1.835 8.540 -8.891 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -1.279 8.031 -7.279 1.00 0.00 H new ATOM 1332 N GLN B 26 1.174 4.834 -9.302 1.00 0.00 N ATOM 1333 CA GLN B 26 0.777 3.573 -9.912 1.00 0.00 C ATOM 1334 C GLN B 26 0.405 2.595 -8.821 1.00 0.00 C ATOM 1335 O GLN B 26 -0.557 1.841 -8.933 1.00 0.00 O ATOM 1336 CB GLN B 26 1.934 2.967 -10.696 1.00 0.00 C ATOM 1337 CG GLN B 26 2.106 3.644 -12.055 1.00 0.00 C ATOM 1338 CD GLN B 26 3.283 3.012 -12.786 1.00 0.00 C ATOM 1339 OE1 GLN B 26 4.016 2.121 -12.173 1.00 0.00 O flip ATOM 1340 NE2 GLN B 26 3.544 3.336 -13.944 1.00 0.00 N flip ATOM 0 H GLN B 26 2.149 5.093 -9.454 1.00 0.00 H new ATOM 0 HA GLN B 26 -0.062 3.764 -10.581 1.00 0.00 H new ATOM 0 HB2 GLN B 26 2.855 3.064 -10.121 1.00 0.00 H new ATOM 0 HB3 GLN B 26 1.759 1.901 -10.839 1.00 0.00 H new ATOM 0 HG2 GLN B 26 1.196 3.537 -12.646 1.00 0.00 H new ATOM 0 HG3 GLN B 26 2.276 4.713 -11.923 1.00 0.00 H new ATOM 0 HE21 GLN B 26 2.970 4.032 -14.421 1.00 0.00 H new ATOM 0 HE22 GLN B 26 4.334 2.909 -14.427 1.00 0.00 H new ATOM 1349 N VAL B 27 1.194 2.636 -7.760 1.00 0.00 N ATOM 1350 CA VAL B 27 0.988 1.773 -6.621 1.00 0.00 C ATOM 1351 C VAL B 27 -0.343 2.100 -5.986 1.00 0.00 C ATOM 1352 O VAL B 27 -1.139 1.208 -5.725 1.00 0.00 O ATOM 1353 CB VAL B 27 2.172 1.920 -5.658 1.00 0.00 C ATOM 1354 CG1 VAL B 27 1.866 1.283 -4.297 1.00 0.00 C ATOM 1355 CG2 VAL B 27 3.378 1.217 -6.300 1.00 0.00 C ATOM 0 H VAL B 27 1.990 3.267 -7.669 1.00 0.00 H new ATOM 0 HA VAL B 27 0.949 0.725 -6.920 1.00 0.00 H new ATOM 0 HB VAL B 27 2.376 2.977 -5.485 1.00 0.00 H new ATOM 0 HG11 VAL B 27 2.725 1.404 -3.637 1.00 0.00 H new ATOM 0 HG12 VAL B 27 0.997 1.770 -3.854 1.00 0.00 H new ATOM 0 HG13 VAL B 27 1.658 0.221 -4.431 1.00 0.00 H new ATOM 0 HG21 VAL B 27 4.242 1.302 -5.641 1.00 0.00 H new ATOM 0 HG22 VAL B 27 3.144 0.164 -6.458 1.00 0.00 H new ATOM 0 HG23 VAL B 27 3.605 1.686 -7.257 1.00 0.00 H new ATOM 1365 N VAL B 28 -0.604 3.386 -5.820 1.00 0.00 N ATOM 1366 CA VAL B 28 -1.868 3.835 -5.298 1.00 0.00 C ATOM 1367 C VAL B 28 -2.976 3.360 -6.243 1.00 0.00 C ATOM 1368 O VAL B 28 -4.076 3.045 -5.809 1.00 0.00 O ATOM 1369 CB VAL B 28 -1.880 5.365 -5.174 1.00 0.00 C ATOM 1370 CG1 VAL B 28 -3.243 5.806 -4.642 1.00 0.00 C ATOM 1371 CG2 VAL B 28 -0.771 5.820 -4.207 1.00 0.00 C ATOM 0 H VAL B 28 0.052 4.135 -6.043 1.00 0.00 H new ATOM 0 HA VAL B 28 -2.031 3.420 -4.303 1.00 0.00 H new ATOM 0 HB VAL B 28 -1.701 5.815 -6.150 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -3.264 6.892 -4.550 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -4.024 5.486 -5.332 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -3.415 5.355 -3.665 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -0.785 6.907 -4.123 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -0.941 5.378 -3.225 1.00 0.00 H new ATOM 0 HG23 VAL B 28 0.198 5.498 -4.587 1.00 0.00 H new ATOM 1381 N ALA B 29 -2.657 3.301 -7.542 1.00 0.00 N ATOM 1382 CA ALA B 29 -3.607 2.849 -8.550 1.00 0.00 C ATOM 1383 C ALA B 29 -4.033 1.421 -8.246 1.00 0.00 C ATOM 1384 O ALA B 29 -5.221 1.092 -8.286 1.00 0.00 O ATOM 1385 CB ALA B 29 -2.954 2.907 -9.940 1.00 0.00 C ATOM 0 H ALA B 29 -1.744 3.563 -7.914 1.00 0.00 H new ATOM 0 HA ALA B 29 -4.482 3.498 -8.536 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -3.667 2.568 -10.691 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -2.655 3.932 -10.159 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -2.076 2.262 -9.957 1.00 0.00 H new ATOM 1391 N PHE B 30 -3.048 0.582 -7.919 1.00 0.00 N ATOM 1392 CA PHE B 30 -3.303 -0.785 -7.591 1.00 0.00 C ATOM 1393 C PHE B 30 -3.958 -0.872 -6.215 1.00 0.00 C ATOM 1394 O PHE B 30 -4.947 -1.576 -6.057 1.00 0.00 O ATOM 1395 CB PHE B 30 -1.972 -1.548 -7.652 1.00 0.00 C ATOM 1396 CG PHE B 30 -1.435 -1.501 -9.079 1.00 0.00 C ATOM 1397 CD1 PHE B 30 -2.186 -2.031 -10.149 1.00 0.00 C ATOM 1398 CD2 PHE B 30 -0.200 -0.880 -9.346 1.00 0.00 C ATOM 1399 CE1 PHE B 30 -1.697 -1.939 -11.452 1.00 0.00 C ATOM 1400 CE2 PHE B 30 0.270 -0.789 -10.649 1.00 0.00 C ATOM 1401 CZ PHE B 30 -0.478 -1.317 -11.704 1.00 0.00 C ATOM 0 H PHE B 30 -2.064 0.848 -7.880 1.00 0.00 H new ATOM 0 HA PHE B 30 -3.995 -1.238 -8.301 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -1.252 -1.104 -6.964 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -2.116 -2.582 -7.338 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -3.137 -2.507 -9.960 1.00 0.00 H new ATOM 0 HD2 PHE B 30 0.384 -0.473 -8.534 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -2.268 -2.353 -12.270 1.00 0.00 H new ATOM 0 HE2 PHE B 30 1.217 -0.309 -10.848 1.00 0.00 H new ATOM 0 HZ PHE B 30 -0.110 -1.242 -12.717 1.00 0.00 H new ATOM 1411 N ILE B 31 -3.438 -0.110 -5.239 1.00 0.00 N ATOM 1412 CA ILE B 31 -4.014 -0.104 -3.887 1.00 0.00 C ATOM 1413 C ILE B 31 -5.484 0.307 -3.962 1.00 0.00 C ATOM 1414 O ILE B 31 -6.349 -0.326 -3.361 1.00 0.00 O ATOM 1415 CB ILE B 31 -3.242 0.869 -2.973 1.00 0.00 C ATOM 1416 CG1 ILE B 31 -1.773 0.419 -2.829 1.00 0.00 C ATOM 1417 CG2 ILE B 31 -3.886 0.890 -1.582 1.00 0.00 C ATOM 1418 CD1 ILE B 31 -0.941 1.570 -2.245 1.00 0.00 C ATOM 0 H ILE B 31 -2.631 0.502 -5.359 1.00 0.00 H new ATOM 0 HA ILE B 31 -3.936 -1.106 -3.466 1.00 0.00 H new ATOM 0 HB ILE B 31 -3.276 1.863 -3.419 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -1.711 -0.455 -2.180 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -1.375 0.124 -3.800 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -3.339 1.578 -0.938 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -4.922 1.218 -1.666 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -3.856 -0.111 -1.152 1.00 0.00 H new ATOM 0 HD11 ILE B 31 0.097 1.253 -2.143 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -0.994 2.431 -2.911 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.335 1.844 -1.266 1.00 0.00 H new ATOM 1430 N ASN B 32 -5.755 1.349 -4.736 1.00 0.00 N ATOM 1431 CA ASN B 32 -7.128 1.819 -4.928 1.00 0.00 C ATOM 1432 C ASN B 32 -7.990 0.698 -5.504 1.00 0.00 C ATOM 1433 O ASN B 32 -9.176 0.604 -5.195 1.00 0.00 O ATOM 1434 CB ASN B 32 -7.173 3.008 -5.905 1.00 0.00 C ATOM 1435 CG ASN B 32 -6.979 4.334 -5.178 1.00 0.00 C ATOM 1436 OD1 ASN B 32 -6.057 5.160 -5.584 1.00 0.00 O flip ATOM 1437 ND2 ASN B 32 -7.697 4.633 -4.224 1.00 0.00 N flip ATOM 0 H ASN B 32 -5.049 1.885 -5.241 1.00 0.00 H new ATOM 0 HA ASN B 32 -7.508 2.131 -3.955 1.00 0.00 H new ATOM 0 HB2 ASN B 32 -6.397 2.889 -6.661 1.00 0.00 H new ATOM 0 HB3 ASN B 32 -8.129 3.015 -6.428 1.00 0.00 H new ATOM 0 HD21 ASN B 32 -8.419 3.986 -3.906 1.00 0.00 H new ATOM 0 HD22 ASN B 32 -7.570 5.528 -3.751 1.00 0.00 H new ATOM 1444 N SER B 33 -7.379 -0.157 -6.336 1.00 0.00 N ATOM 1445 CA SER B 33 -8.084 -1.259 -6.937 1.00 0.00 C ATOM 1446 C SER B 33 -8.240 -2.378 -5.917 1.00 0.00 C ATOM 1447 O SER B 33 -9.222 -3.112 -5.951 1.00 0.00 O ATOM 1448 CB SER B 33 -7.392 -1.698 -8.217 1.00 0.00 C ATOM 1449 OG SER B 33 -7.799 -0.846 -9.280 1.00 0.00 O ATOM 0 H SER B 33 -6.395 -0.092 -6.598 1.00 0.00 H new ATOM 0 HA SER B 33 -9.088 -0.951 -7.229 1.00 0.00 H new ATOM 0 HB2 SER B 33 -6.310 -1.655 -8.094 1.00 0.00 H new ATOM 0 HB3 SER B 33 -7.646 -2.733 -8.446 1.00 0.00 H new ATOM 0 HG SER B 33 -7.355 -1.122 -10.109 1.00 0.00 H new ATOM 1455 N LEU B 34 -7.297 -2.462 -4.960 1.00 0.00 N ATOM 1456 CA LEU B 34 -7.415 -3.452 -3.886 1.00 0.00 C ATOM 1457 C LEU B 34 -8.693 -3.083 -3.134 1.00 0.00 C ATOM 1458 O LEU B 34 -9.504 -3.937 -2.771 1.00 0.00 O ATOM 1459 CB LEU B 34 -6.183 -3.403 -2.942 1.00 0.00 C ATOM 1460 CG LEU B 34 -4.882 -3.654 -3.736 1.00 0.00 C ATOM 1461 CD1 LEU B 34 -3.682 -3.827 -2.820 1.00 0.00 C ATOM 1462 CD2 LEU B 34 -5.024 -4.913 -4.539 1.00 0.00 C ATOM 0 H LEU B 34 -6.467 -1.871 -4.912 1.00 0.00 H new ATOM 0 HA LEU B 34 -7.455 -4.468 -4.279 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.134 -2.432 -2.449 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -6.288 -4.153 -2.158 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.720 -2.786 -4.375 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -2.789 -4.001 -3.420 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -3.548 -2.925 -2.222 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -3.848 -4.679 -2.160 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -4.107 -5.092 -5.100 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -5.209 -5.753 -3.869 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -5.859 -4.810 -5.232 1.00 0.00 H new ATOM 1474 N ARG B 35 -8.869 -1.768 -2.997 1.00 0.00 N ATOM 1475 CA ARG B 35 -10.066 -1.167 -2.382 1.00 0.00 C ATOM 1476 C ARG B 35 -11.303 -1.462 -3.229 1.00 0.00 C ATOM 1477 O ARG B 35 -12.341 -1.882 -2.713 1.00 0.00 O ATOM 1478 CB ARG B 35 -9.870 0.365 -2.343 1.00 0.00 C ATOM 1479 CG ARG B 35 -9.970 0.926 -0.916 1.00 0.00 C ATOM 1480 CD ARG B 35 -8.714 1.749 -0.596 1.00 0.00 C ATOM 1481 NE ARG B 35 -8.414 1.684 0.826 1.00 0.00 N ATOM 1482 CZ ARG B 35 -9.215 2.245 1.721 1.00 0.00 C ATOM 1483 NH1 ARG B 35 -10.212 1.569 2.214 1.00 0.00 N ATOM 1484 NH2 ARG B 35 -9.005 3.473 2.106 1.00 0.00 N ATOM 0 H ARG B 35 -8.184 -1.081 -3.310 1.00 0.00 H new ATOM 0 HA ARG B 35 -10.203 -1.580 -1.382 1.00 0.00 H new ATOM 0 HB2 ARG B 35 -8.896 0.616 -2.763 1.00 0.00 H new ATOM 0 HB3 ARG B 35 -10.621 0.842 -2.973 1.00 0.00 H new ATOM 0 HG2 ARG B 35 -10.859 1.549 -0.821 1.00 0.00 H new ATOM 0 HG3 ARG B 35 -10.075 0.110 -0.200 1.00 0.00 H new ATOM 0 HD2 ARG B 35 -7.868 1.371 -1.170 1.00 0.00 H new ATOM 0 HD3 ARG B 35 -8.865 2.786 -0.895 1.00 0.00 H new ATOM 0 HE ARG B 35 -7.573 1.199 1.140 1.00 0.00 H new ATOM 0 HH11 ARG B 35 -10.376 0.609 1.912 1.00 0.00 H new ATOM 0 HH12 ARG B 35 -10.829 1.999 2.903 1.00 0.00 H new ATOM 0 HH21 ARG B 35 -8.224 4.002 1.718 1.00 0.00 H new ATOM 0 HH22 ARG B 35 -9.622 3.904 2.795 1.00 0.00 H new ATOM 1498 N ASP B 36 -11.168 -1.214 -4.530 1.00 0.00 N ATOM 1499 CA ASP B 36 -12.253 -1.417 -5.485 1.00 0.00 C ATOM 1500 C ASP B 36 -12.652 -2.884 -5.577 1.00 0.00 C ATOM 1501 O ASP B 36 -13.834 -3.211 -5.701 1.00 0.00 O ATOM 1502 CB ASP B 36 -11.799 -0.932 -6.869 1.00 0.00 C ATOM 1503 CG ASP B 36 -11.489 0.573 -6.864 1.00 0.00 C ATOM 1504 OD1 ASP B 36 -12.062 1.290 -6.056 1.00 0.00 O ATOM 1505 OD2 ASP B 36 -10.673 0.987 -7.671 1.00 0.00 O ATOM 0 H ASP B 36 -10.306 -0.868 -4.950 1.00 0.00 H new ATOM 0 HA ASP B 36 -13.119 -0.851 -5.142 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -10.912 -1.486 -7.177 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -12.577 -1.142 -7.603 1.00 0.00 H new ATOM 1510 N ASP B 37 -11.649 -3.755 -5.544 1.00 0.00 N ATOM 1511 CA ASP B 37 -11.876 -5.194 -5.652 1.00 0.00 C ATOM 1512 C ASP B 37 -10.903 -5.957 -4.763 1.00 0.00 C ATOM 1513 O ASP B 37 -9.785 -6.286 -5.174 1.00 0.00 O ATOM 1514 CB ASP B 37 -11.739 -5.650 -7.122 1.00 0.00 C ATOM 1515 CG ASP B 37 -11.844 -4.464 -8.082 1.00 0.00 C ATOM 1516 OD1 ASP B 37 -10.818 -3.870 -8.373 1.00 0.00 O ATOM 1517 OD2 ASP B 37 -12.948 -4.163 -8.505 1.00 0.00 O ATOM 0 H ASP B 37 -10.669 -3.490 -5.443 1.00 0.00 H new ATOM 0 HA ASP B 37 -12.890 -5.411 -5.315 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -10.781 -6.151 -7.262 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -12.516 -6.378 -7.353 1.00 0.00 H new ATOM 1522 N PRO B 38 -11.314 -6.247 -3.555 1.00 0.00 N ATOM 1523 CA PRO B 38 -10.473 -6.997 -2.595 1.00 0.00 C ATOM 1524 C PRO B 38 -10.240 -8.435 -3.047 1.00 0.00 C ATOM 1525 O PRO B 38 -9.170 -9.002 -2.820 1.00 0.00 O ATOM 1526 CB PRO B 38 -11.245 -6.969 -1.281 1.00 0.00 C ATOM 1527 CG PRO B 38 -12.502 -6.188 -1.500 1.00 0.00 C ATOM 1528 CD PRO B 38 -12.625 -5.892 -2.988 1.00 0.00 C ATOM 0 HA PRO B 38 -9.484 -6.549 -2.506 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -11.478 -7.982 -0.954 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -10.644 -6.511 -0.495 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -13.366 -6.754 -1.152 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -12.477 -5.260 -0.929 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -13.424 -6.478 -3.443 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -12.860 -4.842 -3.164 1.00 0.00 H new ATOM 1536 N SER B 39 -11.251 -9.011 -3.698 1.00 0.00 N ATOM 1537 CA SER B 39 -11.160 -10.375 -4.194 1.00 0.00 C ATOM 1538 C SER B 39 -10.084 -10.449 -5.260 1.00 0.00 C ATOM 1539 O SER B 39 -9.299 -11.397 -5.303 1.00 0.00 O ATOM 1540 CB SER B 39 -12.505 -10.813 -4.781 1.00 0.00 C ATOM 1541 OG SER B 39 -13.526 -10.622 -3.810 1.00 0.00 O ATOM 0 H SER B 39 -12.140 -8.550 -3.892 1.00 0.00 H new ATOM 0 HA SER B 39 -10.904 -11.042 -3.370 1.00 0.00 H new ATOM 0 HB2 SER B 39 -12.728 -10.236 -5.679 1.00 0.00 H new ATOM 0 HB3 SER B 39 -12.461 -11.861 -5.078 1.00 0.00 H new ATOM 0 HG SER B 39 -14.388 -10.900 -4.183 1.00 0.00 H new ATOM 1547 N GLN B 40 -10.058 -9.427 -6.118 1.00 0.00 N ATOM 1548 CA GLN B 40 -9.080 -9.359 -7.185 1.00 0.00 C ATOM 1549 C GLN B 40 -7.872 -8.542 -6.761 1.00 0.00 C ATOM 1550 O GLN B 40 -7.136 -8.053 -7.611 1.00 0.00 O ATOM 1551 CB GLN B 40 -9.693 -8.774 -8.470 1.00 0.00 C ATOM 1552 CG GLN B 40 -11.227 -8.809 -8.403 1.00 0.00 C ATOM 1553 CD GLN B 40 -11.821 -8.343 -9.724 1.00 0.00 C ATOM 1554 OE1 GLN B 40 -11.784 -7.155 -10.044 1.00 0.00 O ATOM 1555 NE2 GLN B 40 -12.372 -9.218 -10.512 1.00 0.00 N ATOM 0 H GLN B 40 -10.706 -8.640 -6.088 1.00 0.00 H new ATOM 0 HA GLN B 40 -8.755 -10.378 -7.396 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -9.353 -7.747 -8.607 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -9.349 -9.341 -9.335 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -11.566 -9.821 -8.180 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -11.578 -8.170 -7.593 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -12.400 -10.201 -10.242 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -12.776 -8.921 -11.400 1.00 0.00 H new ATOM 1564 N SER B 41 -7.644 -8.409 -5.446 1.00 0.00 N ATOM 1565 CA SER B 41 -6.488 -7.665 -4.977 1.00 0.00 C ATOM 1566 C SER B 41 -5.230 -8.236 -5.614 1.00 0.00 C ATOM 1567 O SER B 41 -4.279 -7.517 -5.909 1.00 0.00 O ATOM 1568 CB SER B 41 -6.391 -7.777 -3.456 1.00 0.00 C ATOM 1569 OG SER B 41 -7.374 -6.948 -2.862 1.00 0.00 O ATOM 0 H SER B 41 -8.234 -8.800 -4.712 1.00 0.00 H new ATOM 0 HA SER B 41 -6.591 -6.616 -5.254 1.00 0.00 H new ATOM 0 HB2 SER B 41 -6.536 -8.812 -3.146 1.00 0.00 H new ATOM 0 HB3 SER B 41 -5.397 -7.480 -3.121 1.00 0.00 H new ATOM 0 HG SER B 41 -7.677 -7.351 -2.022 1.00 0.00 H new ATOM 1575 N ALA B 42 -5.272 -9.539 -5.839 1.00 0.00 N ATOM 1576 CA ALA B 42 -4.185 -10.264 -6.466 1.00 0.00 C ATOM 1577 C ALA B 42 -4.118 -9.951 -7.963 1.00 0.00 C ATOM 1578 O ALA B 42 -3.063 -10.074 -8.580 1.00 0.00 O ATOM 1579 CB ALA B 42 -4.434 -11.757 -6.283 1.00 0.00 C ATOM 0 H ALA B 42 -6.068 -10.125 -5.589 1.00 0.00 H new ATOM 0 HA ALA B 42 -3.243 -9.967 -6.005 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -3.626 -12.320 -6.749 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -4.474 -11.992 -5.219 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -5.381 -12.028 -6.750 1.00 0.00 H new ATOM 1585 N ASN B 43 -5.273 -9.583 -8.529 1.00 0.00 N ATOM 1586 CA ASN B 43 -5.406 -9.288 -9.952 1.00 0.00 C ATOM 1587 C ASN B 43 -4.720 -8.000 -10.350 1.00 0.00 C ATOM 1588 O ASN B 43 -3.907 -7.986 -11.267 1.00 0.00 O ATOM 1589 CB ASN B 43 -6.871 -9.158 -10.278 1.00 0.00 C ATOM 1590 CG ASN B 43 -7.105 -9.321 -11.778 1.00 0.00 C ATOM 1591 OD1 ASN B 43 -6.719 -8.380 -12.594 1.00 0.00 O flip ATOM 1592 ND2 ASN B 43 -7.641 -10.337 -12.216 1.00 0.00 N flip ATOM 0 H ASN B 43 -6.143 -9.482 -8.007 1.00 0.00 H new ATOM 0 HA ASN B 43 -4.932 -10.102 -10.501 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -7.439 -9.912 -9.732 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -7.237 -8.185 -9.951 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -7.942 -11.071 -11.575 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -7.785 -10.445 -13.220 1.00 0.00 H new ATOM 1599 N LEU B 44 -5.051 -6.915 -9.661 1.00 0.00 N ATOM 1600 CA LEU B 44 -4.440 -5.653 -9.971 1.00 0.00 C ATOM 1601 C LEU B 44 -3.017 -5.683 -9.439 1.00 0.00 C ATOM 1602 O LEU B 44 -2.125 -5.062 -9.994 1.00 0.00 O ATOM 1603 CB LEU B 44 -5.301 -4.441 -9.540 1.00 0.00 C ATOM 1604 CG LEU B 44 -5.442 -4.265 -8.040 1.00 0.00 C ATOM 1605 CD1 LEU B 44 -6.342 -5.336 -7.476 1.00 0.00 C ATOM 1606 CD2 LEU B 44 -4.097 -4.235 -7.352 1.00 0.00 C ATOM 0 H LEU B 44 -5.728 -6.894 -8.899 1.00 0.00 H new ATOM 0 HA LEU B 44 -4.382 -5.505 -11.049 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -4.864 -3.535 -9.959 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -6.295 -4.546 -9.975 1.00 0.00 H new ATOM 0 HG LEU B 44 -5.906 -3.297 -7.848 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -6.437 -5.201 -6.399 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -7.326 -5.265 -7.939 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -5.914 -6.317 -7.683 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -4.240 -4.108 -6.279 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -3.571 -5.171 -7.539 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -3.508 -3.404 -7.741 1.00 0.00 H new ATOM 1618 N LEU B 45 -2.797 -6.495 -8.398 1.00 0.00 N ATOM 1619 CA LEU B 45 -1.460 -6.696 -7.884 1.00 0.00 C ATOM 1620 C LEU B 45 -0.705 -7.363 -9.016 1.00 0.00 C ATOM 1621 O LEU B 45 0.460 -7.079 -9.288 1.00 0.00 O ATOM 1622 CB LEU B 45 -1.500 -7.606 -6.646 1.00 0.00 C ATOM 1623 CG LEU B 45 -0.163 -8.343 -6.453 1.00 0.00 C ATOM 1624 CD1 LEU B 45 0.980 -7.335 -6.308 1.00 0.00 C ATOM 1625 CD2 LEU B 45 -0.246 -9.224 -5.199 1.00 0.00 C ATOM 0 H LEU B 45 -3.526 -7.013 -7.908 1.00 0.00 H new ATOM 0 HA LEU B 45 -0.988 -5.764 -7.574 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -1.721 -7.010 -5.760 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -2.306 -8.332 -6.751 1.00 0.00 H new ATOM 0 HG LEU B 45 0.032 -8.968 -7.325 1.00 0.00 H new ATOM 0 HD11 LEU B 45 1.921 -7.869 -6.172 1.00 0.00 H new ATOM 0 HD12 LEU B 45 1.038 -6.720 -7.206 1.00 0.00 H new ATOM 0 HD13 LEU B 45 0.796 -6.698 -5.443 1.00 0.00 H new ATOM 0 HD21 LEU B 45 0.700 -9.748 -5.059 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -0.447 -8.600 -4.328 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -1.049 -9.951 -5.318 1.00 0.00 H new ATOM 1637 N ALA B 46 -1.447 -8.217 -9.711 1.00 0.00 N ATOM 1638 CA ALA B 46 -0.922 -8.913 -10.868 1.00 0.00 C ATOM 1639 C ALA B 46 -0.579 -7.864 -11.917 1.00 0.00 C ATOM 1640 O ALA B 46 0.470 -7.903 -12.544 1.00 0.00 O ATOM 1641 CB ALA B 46 -1.967 -9.896 -11.422 1.00 0.00 C ATOM 0 H ALA B 46 -2.417 -8.441 -9.488 1.00 0.00 H new ATOM 0 HA ALA B 46 -0.037 -9.488 -10.596 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -1.557 -10.411 -12.291 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -2.222 -10.626 -10.654 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -2.863 -9.348 -11.714 1.00 0.00 H new ATOM 1647 N GLU B 47 -1.475 -6.892 -12.040 1.00 0.00 N ATOM 1648 CA GLU B 47 -1.296 -5.775 -12.947 1.00 0.00 C ATOM 1649 C GLU B 47 -0.105 -4.935 -12.504 1.00 0.00 C ATOM 1650 O GLU B 47 0.554 -4.294 -13.319 1.00 0.00 O ATOM 1651 CB GLU B 47 -2.543 -4.876 -12.961 1.00 0.00 C ATOM 1652 CG GLU B 47 -3.758 -5.616 -13.512 1.00 0.00 C ATOM 1653 CD GLU B 47 -3.450 -6.252 -14.871 1.00 0.00 C ATOM 1654 OE1 GLU B 47 -3.100 -5.522 -15.785 1.00 0.00 O ATOM 1655 OE2 GLU B 47 -3.571 -7.462 -14.977 1.00 0.00 O ATOM 0 H GLU B 47 -2.346 -6.860 -11.511 1.00 0.00 H new ATOM 0 HA GLU B 47 -1.128 -6.178 -13.946 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -2.754 -4.529 -11.950 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -2.348 -3.991 -13.567 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -4.067 -6.388 -12.808 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -4.594 -4.924 -13.613 1.00 0.00 H new ATOM 1662 N ALA B 48 0.122 -4.908 -11.190 1.00 0.00 N ATOM 1663 CA ALA B 48 1.175 -4.116 -10.612 1.00 0.00 C ATOM 1664 C ALA B 48 2.517 -4.727 -10.873 1.00 0.00 C ATOM 1665 O ALA B 48 3.428 -4.056 -11.316 1.00 0.00 O ATOM 1666 CB ALA B 48 0.941 -4.053 -9.114 1.00 0.00 C ATOM 0 H ALA B 48 -0.424 -5.437 -10.510 1.00 0.00 H new ATOM 0 HA ALA B 48 1.164 -3.121 -11.058 1.00 0.00 H new ATOM 0 HB1 ALA B 48 1.726 -3.457 -8.648 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -0.028 -3.595 -8.916 1.00 0.00 H new ATOM 0 HB3 ALA B 48 0.957 -5.061 -8.701 1.00 0.00 H new ATOM 1672 N LYS B 49 2.624 -6.012 -10.622 1.00 0.00 N ATOM 1673 CA LYS B 49 3.869 -6.704 -10.865 1.00 0.00 C ATOM 1674 C LYS B 49 4.139 -6.675 -12.363 1.00 0.00 C ATOM 1675 O LYS B 49 5.284 -6.586 -12.792 1.00 0.00 O ATOM 1676 CB LYS B 49 3.811 -8.105 -10.272 1.00 0.00 C ATOM 1677 CG LYS B 49 2.704 -8.904 -10.920 1.00 0.00 C ATOM 1678 CD LYS B 49 2.621 -10.299 -10.284 1.00 0.00 C ATOM 1679 CE LYS B 49 2.117 -10.188 -8.836 1.00 0.00 C ATOM 1680 NZ LYS B 49 3.266 -10.305 -7.892 1.00 0.00 N ATOM 0 H LYS B 49 1.872 -6.594 -10.253 1.00 0.00 H new ATOM 0 HA LYS B 49 4.707 -6.214 -10.370 1.00 0.00 H new ATOM 0 HB2 LYS B 49 4.766 -8.609 -10.419 1.00 0.00 H new ATOM 0 HB3 LYS B 49 3.644 -8.045 -9.197 1.00 0.00 H new ATOM 0 HG2 LYS B 49 1.753 -8.385 -10.803 1.00 0.00 H new ATOM 0 HG3 LYS B 49 2.888 -8.994 -11.991 1.00 0.00 H new ATOM 0 HD2 LYS B 49 1.950 -10.933 -10.864 1.00 0.00 H new ATOM 0 HD3 LYS B 49 3.602 -10.774 -10.301 1.00 0.00 H new ATOM 0 HE2 LYS B 49 1.610 -9.234 -8.690 1.00 0.00 H new ATOM 0 HE3 LYS B 49 1.387 -10.972 -8.634 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 3.087 -9.717 -7.053 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 3.377 -11.297 -7.602 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 4.136 -9.983 -8.362 1.00 0.00 H new ATOM 1694 N LYS B 50 3.050 -6.663 -13.142 1.00 0.00 N ATOM 1695 CA LYS B 50 3.143 -6.538 -14.592 1.00 0.00 C ATOM 1696 C LYS B 50 3.633 -5.142 -14.940 1.00 0.00 C ATOM 1697 O LYS B 50 4.438 -4.971 -15.847 1.00 0.00 O ATOM 1698 CB LYS B 50 1.784 -6.761 -15.239 1.00 0.00 C ATOM 1699 CG LYS B 50 1.443 -8.257 -15.275 1.00 0.00 C ATOM 1700 CD LYS B 50 -0.001 -8.437 -15.765 1.00 0.00 C ATOM 1701 CE LYS B 50 -0.465 -9.879 -15.522 1.00 0.00 C ATOM 1702 NZ LYS B 50 -1.950 -9.899 -15.373 1.00 0.00 N ATOM 0 H LYS B 50 2.097 -6.739 -12.787 1.00 0.00 H new ATOM 0 HA LYS B 50 3.838 -7.290 -14.965 1.00 0.00 H new ATOM 0 HB2 LYS B 50 1.017 -6.221 -14.683 1.00 0.00 H new ATOM 0 HB3 LYS B 50 1.787 -6.358 -16.252 1.00 0.00 H new ATOM 0 HG2 LYS B 50 2.132 -8.783 -15.936 1.00 0.00 H new ATOM 0 HG3 LYS B 50 1.559 -8.692 -14.282 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -0.659 -7.742 -15.243 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -0.065 -8.200 -16.827 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -0.162 -10.516 -16.353 1.00 0.00 H new ATOM 0 HE3 LYS B 50 0.008 -10.279 -14.625 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -2.209 -10.483 -14.552 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -2.298 -8.929 -15.231 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -2.380 -10.299 -16.232 1.00 0.00 H new ATOM 1716 N LEU B 51 3.141 -4.143 -14.200 1.00 0.00 N ATOM 1717 CA LEU B 51 3.556 -2.762 -14.431 1.00 0.00 C ATOM 1718 C LEU B 51 4.991 -2.602 -14.009 1.00 0.00 C ATOM 1719 O LEU B 51 5.798 -1.985 -14.703 1.00 0.00 O ATOM 1720 CB LEU B 51 2.673 -1.788 -13.644 1.00 0.00 C ATOM 1721 CG LEU B 51 1.800 -1.004 -14.616 1.00 0.00 C ATOM 1722 CD1 LEU B 51 2.682 -0.012 -15.389 1.00 0.00 C ATOM 1723 CD2 LEU B 51 1.103 -1.985 -15.580 1.00 0.00 C ATOM 0 H LEU B 51 2.464 -4.265 -13.447 1.00 0.00 H new ATOM 0 HA LEU B 51 3.452 -2.535 -15.492 1.00 0.00 H new ATOM 0 HB2 LEU B 51 2.049 -2.335 -12.936 1.00 0.00 H new ATOM 0 HB3 LEU B 51 3.293 -1.106 -13.062 1.00 0.00 H new ATOM 0 HG LEU B 51 1.034 -0.448 -14.076 1.00 0.00 H new ATOM 0 HD11 LEU B 51 2.066 0.554 -16.088 1.00 0.00 H new ATOM 0 HD12 LEU B 51 3.159 0.673 -14.688 1.00 0.00 H new ATOM 0 HD13 LEU B 51 3.447 -0.559 -15.940 1.00 0.00 H new ATOM 0 HD21 LEU B 51 0.477 -1.427 -16.277 1.00 0.00 H new ATOM 0 HD22 LEU B 51 1.855 -2.545 -16.136 1.00 0.00 H new ATOM 0 HD23 LEU B 51 0.483 -2.677 -15.010 1.00 0.00 H new ATOM 1735 N ASN B 52 5.301 -3.218 -12.887 1.00 0.00 N ATOM 1736 CA ASN B 52 6.654 -3.216 -12.378 1.00 0.00 C ATOM 1737 C ASN B 52 7.509 -3.877 -13.425 1.00 0.00 C ATOM 1738 O ASN B 52 8.603 -3.421 -13.751 1.00 0.00 O ATOM 1739 CB ASN B 52 6.712 -3.999 -11.071 1.00 0.00 C ATOM 1740 CG ASN B 52 8.156 -4.214 -10.634 1.00 0.00 C ATOM 1741 OD1 ASN B 52 8.643 -3.555 -9.722 1.00 0.00 O ATOM 1742 ND2 ASN B 52 8.870 -5.104 -11.249 1.00 0.00 N ATOM 0 H ASN B 52 4.632 -3.727 -12.310 1.00 0.00 H new ATOM 0 HA ASN B 52 7.004 -2.204 -12.176 1.00 0.00 H new ATOM 0 HB2 ASN B 52 6.168 -3.461 -10.295 1.00 0.00 H new ATOM 0 HB3 ASN B 52 6.218 -4.962 -11.196 1.00 0.00 H new ATOM 0 HD21 ASN B 52 9.840 -5.258 -10.975 1.00 0.00 H new ATOM 0 HD22 ASN B 52 8.462 -5.650 -12.007 1.00 0.00 H new ATOM 1749 N ASP B 53 6.946 -4.945 -13.975 1.00 0.00 N ATOM 1750 CA ASP B 53 7.611 -5.681 -15.042 1.00 0.00 C ATOM 1751 C ASP B 53 7.727 -4.787 -16.275 1.00 0.00 C ATOM 1752 O ASP B 53 8.714 -4.841 -17.010 1.00 0.00 O ATOM 1753 CB ASP B 53 6.829 -6.949 -15.401 1.00 0.00 C ATOM 1754 CG ASP B 53 7.649 -7.817 -16.353 1.00 0.00 C ATOM 1755 OD1 ASP B 53 8.474 -8.577 -15.871 1.00 0.00 O ATOM 1756 OD2 ASP B 53 7.445 -7.706 -17.551 1.00 0.00 O ATOM 0 H ASP B 53 6.037 -5.319 -13.702 1.00 0.00 H new ATOM 0 HA ASP B 53 8.603 -5.974 -14.698 1.00 0.00 H new ATOM 0 HB2 ASP B 53 6.594 -7.509 -14.496 1.00 0.00 H new ATOM 0 HB3 ASP B 53 5.880 -6.681 -15.866 1.00 0.00 H new ATOM 1761 N ALA B 54 6.694 -3.966 -16.480 1.00 0.00 N ATOM 1762 CA ALA B 54 6.640 -3.047 -17.609 1.00 0.00 C ATOM 1763 C ALA B 54 7.735 -1.991 -17.493 1.00 0.00 C ATOM 1764 O ALA B 54 8.355 -1.616 -18.490 1.00 0.00 O ATOM 1765 CB ALA B 54 5.265 -2.377 -17.644 1.00 0.00 C ATOM 0 H ALA B 54 5.878 -3.923 -15.869 1.00 0.00 H new ATOM 0 HA ALA B 54 6.800 -3.604 -18.532 1.00 0.00 H new ATOM 0 HB1 ALA B 54 5.218 -1.688 -18.487 1.00 0.00 H new ATOM 0 HB2 ALA B 54 4.492 -3.138 -17.754 1.00 0.00 H new ATOM 0 HB3 ALA B 54 5.104 -1.828 -16.716 1.00 0.00 H new ATOM 1771 N GLN B 55 7.970 -1.525 -16.265 1.00 0.00 N ATOM 1772 CA GLN B 55 8.995 -0.518 -16.009 1.00 0.00 C ATOM 1773 C GLN B 55 10.342 -1.164 -15.697 1.00 0.00 C ATOM 1774 O GLN B 55 11.348 -0.468 -15.535 1.00 0.00 O ATOM 1775 CB GLN B 55 8.562 0.333 -14.835 1.00 0.00 C ATOM 1776 CG GLN B 55 7.300 1.113 -15.194 1.00 0.00 C ATOM 1777 CD GLN B 55 6.486 1.348 -13.936 1.00 0.00 C ATOM 1778 OE1 GLN B 55 6.014 0.319 -13.291 1.00 0.00 O flip ATOM 1779 NE2 GLN B 55 6.285 2.489 -13.524 1.00 0.00 N flip ATOM 0 H GLN B 55 7.463 -1.830 -15.434 1.00 0.00 H new ATOM 0 HA GLN B 55 9.113 0.094 -16.903 1.00 0.00 H new ATOM 0 HB2 GLN B 55 8.375 -0.299 -13.967 1.00 0.00 H new ATOM 0 HB3 GLN B 55 9.360 1.023 -14.561 1.00 0.00 H new ATOM 0 HG2 GLN B 55 7.565 2.065 -15.654 1.00 0.00 H new ATOM 0 HG3 GLN B 55 6.711 0.559 -15.925 1.00 0.00 H new ATOM 0 HE21 GLN B 55 6.658 3.289 -14.035 1.00 0.00 H new ATOM 0 HE22 GLN B 55 5.745 2.636 -12.671 1.00 0.00 H new ATOM 1788 N ALA B 56 10.355 -2.495 -15.602 1.00 0.00 N ATOM 1789 CA ALA B 56 11.586 -3.225 -15.294 1.00 0.00 C ATOM 1790 C ALA B 56 12.617 -3.066 -16.400 1.00 0.00 C ATOM 1791 O ALA B 56 12.291 -2.652 -17.516 1.00 0.00 O ATOM 1792 CB ALA B 56 11.301 -4.711 -15.095 1.00 0.00 C ATOM 0 H ALA B 56 9.534 -3.086 -15.733 1.00 0.00 H new ATOM 0 HA ALA B 56 11.985 -2.802 -14.372 1.00 0.00 H new ATOM 0 HB1 ALA B 56 12.231 -5.232 -14.867 1.00 0.00 H new ATOM 0 HB2 ALA B 56 10.601 -4.840 -14.269 1.00 0.00 H new ATOM 0 HB3 ALA B 56 10.867 -5.124 -16.006 1.00 0.00 H new ATOM 1798 N PRO B 57 13.856 -3.381 -16.104 1.00 0.00 N ATOM 1799 CA PRO B 57 14.967 -3.270 -17.072 1.00 0.00 C ATOM 1800 C PRO B 57 15.032 -4.470 -18.014 1.00 0.00 C ATOM 1801 O PRO B 57 14.154 -5.336 -17.997 1.00 0.00 O ATOM 1802 CB PRO B 57 16.221 -3.187 -16.180 1.00 0.00 C ATOM 1803 CG PRO B 57 15.746 -3.282 -14.762 1.00 0.00 C ATOM 1804 CD PRO B 57 14.356 -3.881 -14.819 1.00 0.00 C ATOM 0 HA PRO B 57 14.856 -2.409 -17.730 1.00 0.00 H new ATOM 0 HB2 PRO B 57 16.915 -3.995 -16.411 1.00 0.00 H new ATOM 0 HB3 PRO B 57 16.754 -2.251 -16.348 1.00 0.00 H new ATOM 0 HG2 PRO B 57 16.414 -3.906 -14.169 1.00 0.00 H new ATOM 0 HG3 PRO B 57 15.727 -2.299 -14.292 1.00 0.00 H new ATOM 0 HD2 PRO B 57 14.380 -4.970 -14.788 1.00 0.00 H new ATOM 0 HD3 PRO B 57 13.736 -3.552 -13.985 1.00 0.00 H new ATOM 1812 N LYS B 58 16.078 -4.500 -18.834 1.00 0.00 N ATOM 1813 CA LYS B 58 16.283 -5.573 -19.798 1.00 0.00 C ATOM 1814 C LYS B 58 17.477 -6.441 -19.394 1.00 0.00 C ATOM 1815 O LYS B 58 18.484 -5.880 -18.990 1.00 0.00 O ATOM 1816 CB LYS B 58 16.524 -4.967 -21.175 1.00 0.00 C ATOM 1817 CG LYS B 58 15.195 -4.478 -21.779 1.00 0.00 C ATOM 1818 CD LYS B 58 15.244 -2.958 -22.023 1.00 0.00 C ATOM 1819 CE LYS B 58 14.912 -2.197 -20.729 1.00 0.00 C ATOM 1820 NZ LYS B 58 16.173 -1.872 -20.003 1.00 0.00 N ATOM 1821 OXT LYS B 58 17.367 -7.652 -19.493 1.00 0.00 O ATOM 0 H LYS B 58 16.804 -3.784 -18.848 1.00 0.00 H new ATOM 0 HA LYS B 58 15.395 -6.204 -19.822 1.00 0.00 H new ATOM 0 HB2 LYS B 58 17.225 -4.136 -21.097 1.00 0.00 H new ATOM 0 HB3 LYS B 58 16.980 -5.708 -21.832 1.00 0.00 H new ATOM 0 HG2 LYS B 58 15.002 -4.997 -22.718 1.00 0.00 H new ATOM 0 HG3 LYS B 58 14.372 -4.719 -21.106 1.00 0.00 H new ATOM 0 HD2 LYS B 58 16.234 -2.672 -22.377 1.00 0.00 H new ATOM 0 HD3 LYS B 58 14.535 -2.686 -22.805 1.00 0.00 H new ATOM 0 HE2 LYS B 58 14.369 -1.281 -20.963 1.00 0.00 H new ATOM 0 HE3 LYS B 58 14.262 -2.801 -20.096 1.00 0.00 H new ATOM 0 HZ1 LYS B 58 16.162 -2.327 -19.068 1.00 0.00 H new ATOM 0 HZ2 LYS B 58 16.987 -2.220 -20.548 1.00 0.00 H new ATOM 0 HZ3 LYS B 58 16.250 -0.842 -19.886 1.00 0.00 H new TER 1835 LYS B 58