USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=21 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 : amide:sc= -2.27 K(o=-7.9,f=-5.1) USER MOD Set 1.2: B 52 ASN : amide:sc= -5.64! C(o=-7.9!,f=-13!) USER MOD Set 2.1: B 26 GLN : amide:sc= -9.99! C(o=-17!,f=-2.8!) USER MOD Set 2.2: B 55 GLN : amide:sc= -7.39! K(o=-17!,f=-2.8) USER MOD Set 3.1: B 23 ASN : amide:sc= -8.21! C(o=-8.4!,f=-17!) USER MOD Set 3.2: B 24 SER OG : rot -140:sc= -0.221 USER MOD Set 4.1: A 21 ASN : amide:sc= -1.36 K(o=-7.7,f=-8.5) USER MOD Set 4.2: A 52 ASN : amide:sc= -6.37! C(o=-7.7!,f=-16!) USER MOD Set 5.1: A 33 SER OG : rot 140:sc= -0.915 USER MOD Set 5.2: A 40 GLN : amide:sc= -0.109 K(o=-1,f=-2.1) USER MOD Set 6.1: A 13 THR OG1 : rot 116:sc= -2.18 USER MOD Set 6.2: B 17 MET CE :methyl -125:sc= -11.3! (180deg=-11.4!) USER MOD Single : A 1 VAL N :NH3+ 139:sc= -0.623 (180deg=-0.88) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.0044) USER MOD Single : A 4 LYS NZ :NH3+ -124:sc= -0.502 (180deg=-2.2) USER MOD Single : A 6 ASN : amide:sc= -3.59! C(o=-3.6!,f=-12!) USER MOD Single : A 7 LYS NZ :NH3+ -148:sc= 0.29 (180deg=-0.626) USER MOD Single : A 18 ASN : amide:sc= -5.09 K(o=-5.1,f=-2.9) USER MOD Single : A 23 ASN : amide:sc= -0.857 K(o=-0.86,f=-10!) USER MOD Single : A 26 GLN : amide:sc= -5.82! K(o=-5.8!,f=-3.9) USER MOD Single : A 28 LYS NZ :NH3+ 162:sc= -0.12 (180deg=-0.705) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -93:sc= 0.648 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 166:sc= -0.0419 (180deg=-0.448) USER MOD Single : A 55 GLN : amide:sc= -2.73 K(o=-2.7,f=-2.2) USER MOD Single : A 58 LYS NZ :NH3+ -152:sc= 1.78 (180deg=0.933) USER MOD Single : B 1 VAL N :NH3+ 179:sc= -0.511 (180deg=-0.547) USER MOD Single : B 3 ASN : amide:sc= -2.04 K(o=-2,f=-3.1!) USER MOD Single : B 4 LYS NZ :NH3+ 173:sc= 1.23 (180deg=1.18) USER MOD Single : B 6 ASN : amide:sc= -0.577! X(o=-0.58!,f=-0.37) USER MOD Single : B 7 LYS NZ :NH3+ 156:sc= -0.0314 (180deg=-0.829) USER MOD Single : B 32 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : B 33 SER OG : rot 180:sc= 0 USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN : amide:sc= -3.31 K(o=-3.3,f=-1) USER MOD Single : B 41 SER OG : rot 180:sc= -1.33 USER MOD Single : B 43 ASN : amide:sc= -0.789 K(o=-0.79,f=-0.055) USER MOD Single : B 49 LYS NZ :NH3+ 156:sc= -2.74! (180deg=-3.14!) USER MOD Single : B 50 LYS NZ :NH3+ -156:sc= -0.0816 (180deg=-0.68) USER MOD Single : B 58 LYS NZ :NH3+ -123:sc= 1.02 (180deg=-0.561!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 8.240 -18.815 4.358 1.00 0.00 N ATOM 2 CA VAL A 1 7.513 -18.163 5.487 1.00 0.00 C ATOM 3 C VAL A 1 6.798 -16.912 4.980 1.00 0.00 C ATOM 4 O VAL A 1 7.117 -16.394 3.906 1.00 0.00 O ATOM 5 CB VAL A 1 8.510 -17.789 6.603 1.00 0.00 C ATOM 6 CG1 VAL A 1 9.081 -19.063 7.240 1.00 0.00 C ATOM 7 CG2 VAL A 1 9.660 -16.945 6.028 1.00 0.00 C ATOM 0 H1 VAL A 1 9.170 -19.143 4.687 1.00 0.00 H new ATOM 0 H2 VAL A 1 7.689 -19.627 4.013 1.00 0.00 H new ATOM 0 H3 VAL A 1 8.368 -18.130 3.586 1.00 0.00 H new ATOM 0 HA VAL A 1 6.775 -18.856 5.892 1.00 0.00 H new ATOM 0 HB VAL A 1 7.984 -17.207 7.360 1.00 0.00 H new ATOM 0 HG11 VAL A 1 9.784 -18.792 8.027 1.00 0.00 H new ATOM 0 HG12 VAL A 1 8.269 -19.652 7.666 1.00 0.00 H new ATOM 0 HG13 VAL A 1 9.596 -19.651 6.480 1.00 0.00 H new ATOM 0 HG21 VAL A 1 10.357 -16.688 6.826 1.00 0.00 H new ATOM 0 HG22 VAL A 1 10.182 -17.516 5.261 1.00 0.00 H new ATOM 0 HG23 VAL A 1 9.257 -16.032 5.589 1.00 0.00 H new ATOM 19 N ASP A 2 5.833 -16.431 5.765 1.00 0.00 N ATOM 20 CA ASP A 2 5.073 -15.238 5.401 1.00 0.00 C ATOM 21 C ASP A 2 5.925 -13.984 5.565 1.00 0.00 C ATOM 22 O ASP A 2 6.648 -13.836 6.552 1.00 0.00 O ATOM 23 CB ASP A 2 3.820 -15.117 6.275 1.00 0.00 C ATOM 24 CG ASP A 2 2.980 -13.919 5.820 1.00 0.00 C ATOM 25 OD1 ASP A 2 2.185 -14.091 4.911 1.00 0.00 O ATOM 26 OD2 ASP A 2 3.153 -12.847 6.381 1.00 0.00 O ATOM 0 H ASP A 2 5.561 -16.849 6.655 1.00 0.00 H new ATOM 0 HA ASP A 2 4.778 -15.333 4.356 1.00 0.00 H new ATOM 0 HB2 ASP A 2 3.230 -16.031 6.209 1.00 0.00 H new ATOM 0 HB3 ASP A 2 4.105 -14.996 7.320 1.00 0.00 H new ATOM 31 N ASN A 3 5.818 -13.080 4.594 1.00 0.00 N ATOM 32 CA ASN A 3 6.565 -11.826 4.631 1.00 0.00 C ATOM 33 C ASN A 3 5.842 -10.825 5.532 1.00 0.00 C ATOM 34 O ASN A 3 5.006 -10.049 5.070 1.00 0.00 O ATOM 35 CB ASN A 3 6.692 -11.263 3.211 1.00 0.00 C ATOM 36 CG ASN A 3 7.559 -12.181 2.354 1.00 0.00 C ATOM 37 OD1 ASN A 3 8.746 -12.350 2.627 1.00 0.00 O ATOM 38 ND2 ASN A 3 7.031 -12.789 1.328 1.00 0.00 N ATOM 0 H ASN A 3 5.222 -13.192 3.774 1.00 0.00 H new ATOM 0 HA ASN A 3 7.562 -12.007 5.032 1.00 0.00 H new ATOM 0 HB2 ASN A 3 5.704 -11.162 2.763 1.00 0.00 H new ATOM 0 HB3 ASN A 3 7.130 -10.265 3.246 1.00 0.00 H new ATOM 0 HD21 ASN A 3 7.603 -13.406 0.751 1.00 0.00 H new ATOM 0 HD22 ASN A 3 6.046 -12.648 1.103 1.00 0.00 H new ATOM 45 N LYS A 4 6.164 -10.868 6.827 1.00 0.00 N ATOM 46 CA LYS A 4 5.538 -9.977 7.809 1.00 0.00 C ATOM 47 C LYS A 4 5.764 -8.505 7.457 1.00 0.00 C ATOM 48 O LYS A 4 4.832 -7.704 7.510 1.00 0.00 O ATOM 49 CB LYS A 4 6.089 -10.269 9.216 1.00 0.00 C ATOM 50 CG LYS A 4 7.630 -10.279 9.209 1.00 0.00 C ATOM 51 CD LYS A 4 8.145 -11.496 9.993 1.00 0.00 C ATOM 52 CE LYS A 4 8.032 -12.769 9.140 1.00 0.00 C ATOM 53 NZ LYS A 4 8.823 -12.611 7.885 1.00 0.00 N ATOM 0 H LYS A 4 6.853 -11.509 7.220 1.00 0.00 H new ATOM 0 HA LYS A 4 4.465 -10.166 7.792 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.729 -9.515 9.916 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.716 -11.232 9.565 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.998 -10.313 8.184 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.011 -9.360 9.654 1.00 0.00 H new ATOM 0 HD2 LYS A 4 9.183 -11.336 10.284 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.571 -11.614 10.912 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.395 -13.628 9.704 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.987 -12.964 8.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.206 -12.770 7.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.216 -11.649 7.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.599 -13.303 7.874 1.00 0.00 H new ATOM 67 N PHE A 5 7.002 -8.158 7.098 1.00 0.00 N ATOM 68 CA PHE A 5 7.334 -6.787 6.739 1.00 0.00 C ATOM 69 C PHE A 5 6.557 -6.366 5.494 1.00 0.00 C ATOM 70 O PHE A 5 6.057 -5.251 5.431 1.00 0.00 O ATOM 71 CB PHE A 5 8.851 -6.639 6.516 1.00 0.00 C ATOM 72 CG PHE A 5 9.242 -7.129 5.134 1.00 0.00 C ATOM 73 CD1 PHE A 5 9.368 -8.502 4.881 1.00 0.00 C ATOM 74 CD2 PHE A 5 9.468 -6.205 4.103 1.00 0.00 C ATOM 75 CE1 PHE A 5 9.723 -8.949 3.603 1.00 0.00 C ATOM 76 CE2 PHE A 5 9.821 -6.654 2.825 1.00 0.00 C ATOM 77 CZ PHE A 5 9.949 -8.025 2.576 1.00 0.00 C ATOM 0 H PHE A 5 7.786 -8.809 7.050 1.00 0.00 H new ATOM 0 HA PHE A 5 7.049 -6.130 7.561 1.00 0.00 H new ATOM 0 HB2 PHE A 5 9.140 -5.594 6.632 1.00 0.00 H new ATOM 0 HB3 PHE A 5 9.392 -7.205 7.274 1.00 0.00 H new ATOM 0 HD1 PHE A 5 9.191 -9.215 5.672 1.00 0.00 H new ATOM 0 HD2 PHE A 5 9.370 -5.147 4.295 1.00 0.00 H new ATOM 0 HE1 PHE A 5 9.823 -10.007 3.409 1.00 0.00 H new ATOM 0 HE2 PHE A 5 9.995 -5.942 2.031 1.00 0.00 H new ATOM 0 HZ PHE A 5 10.223 -8.371 1.590 1.00 0.00 H new ATOM 87 N ASN A 6 6.442 -7.278 4.518 1.00 0.00 N ATOM 88 CA ASN A 6 5.695 -6.998 3.300 1.00 0.00 C ATOM 89 C ASN A 6 4.229 -6.828 3.640 1.00 0.00 C ATOM 90 O ASN A 6 3.561 -5.918 3.159 1.00 0.00 O ATOM 91 CB ASN A 6 5.837 -8.165 2.330 1.00 0.00 C ATOM 92 CG ASN A 6 5.173 -7.846 0.998 1.00 0.00 C ATOM 93 OD1 ASN A 6 5.139 -6.696 0.589 1.00 0.00 O ATOM 94 ND2 ASN A 6 4.618 -8.808 0.310 1.00 0.00 N ATOM 0 H ASN A 6 6.857 -8.209 4.555 1.00 0.00 H new ATOM 0 HA ASN A 6 6.084 -6.088 2.843 1.00 0.00 H new ATOM 0 HB2 ASN A 6 6.893 -8.385 2.171 1.00 0.00 H new ATOM 0 HB3 ASN A 6 5.386 -9.059 2.761 1.00 0.00 H new ATOM 0 HD21 ASN A 6 4.153 -8.600 -0.574 1.00 0.00 H new ATOM 0 HD22 ASN A 6 4.650 -9.767 0.657 1.00 0.00 H new ATOM 101 N LYS A 7 3.754 -7.722 4.499 1.00 0.00 N ATOM 102 CA LYS A 7 2.381 -7.703 4.942 1.00 0.00 C ATOM 103 C LYS A 7 2.122 -6.370 5.619 1.00 0.00 C ATOM 104 O LYS A 7 1.106 -5.723 5.390 1.00 0.00 O ATOM 105 CB LYS A 7 2.165 -8.874 5.920 1.00 0.00 C ATOM 106 CG LYS A 7 0.671 -9.140 6.116 1.00 0.00 C ATOM 107 CD LYS A 7 0.463 -10.492 6.813 1.00 0.00 C ATOM 108 CE LYS A 7 0.223 -11.580 5.762 1.00 0.00 C ATOM 109 NZ LYS A 7 0.083 -12.900 6.438 1.00 0.00 N ATOM 0 H LYS A 7 4.313 -8.474 4.902 1.00 0.00 H new ATOM 0 HA LYS A 7 1.690 -7.817 4.107 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.653 -9.770 5.537 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.628 -8.644 6.879 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.227 -8.343 6.712 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.164 -9.137 5.151 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.337 -10.740 7.415 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.387 -10.435 7.493 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.677 -11.355 5.189 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.052 -11.607 5.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.452 -13.649 5.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.619 -12.892 7.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.921 -13.082 6.640 1.00 0.00 H new ATOM 123 N GLU A 8 3.082 -5.958 6.433 1.00 0.00 N ATOM 124 CA GLU A 8 2.985 -4.690 7.132 1.00 0.00 C ATOM 125 C GLU A 8 3.199 -3.513 6.180 1.00 0.00 C ATOM 126 O GLU A 8 2.520 -2.500 6.276 1.00 0.00 O ATOM 127 CB GLU A 8 3.989 -4.659 8.285 1.00 0.00 C ATOM 128 CG GLU A 8 3.927 -3.309 9.017 1.00 0.00 C ATOM 129 CD GLU A 8 5.054 -3.211 10.045 1.00 0.00 C ATOM 130 OE1 GLU A 8 6.196 -3.074 9.635 1.00 0.00 O ATOM 131 OE2 GLU A 8 4.760 -3.275 11.228 1.00 0.00 O ATOM 0 H GLU A 8 3.935 -6.484 6.624 1.00 0.00 H new ATOM 0 HA GLU A 8 1.979 -4.593 7.540 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.775 -5.468 8.983 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.996 -4.826 7.903 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.009 -2.494 8.298 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.963 -3.200 9.513 1.00 0.00 H new ATOM 138 N LEU A 9 4.123 -3.681 5.246 1.00 0.00 N ATOM 139 CA LEU A 9 4.409 -2.655 4.237 1.00 0.00 C ATOM 140 C LEU A 9 3.135 -2.401 3.467 1.00 0.00 C ATOM 141 O LEU A 9 2.800 -1.261 3.160 1.00 0.00 O ATOM 142 CB LEU A 9 5.529 -3.158 3.310 1.00 0.00 C ATOM 143 CG LEU A 9 5.682 -2.256 2.073 1.00 0.00 C ATOM 144 CD1 LEU A 9 6.457 -0.976 2.385 1.00 0.00 C ATOM 145 CD2 LEU A 9 6.435 -3.015 1.001 1.00 0.00 C ATOM 0 H LEU A 9 4.694 -4.522 5.160 1.00 0.00 H new ATOM 0 HA LEU A 9 4.745 -1.726 4.697 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.471 -3.189 3.858 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.311 -4.178 2.994 1.00 0.00 H new ATOM 0 HG LEU A 9 4.681 -1.979 1.741 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.540 -0.371 1.482 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.931 -0.410 3.154 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.454 -1.232 2.742 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.548 -2.384 0.120 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.419 -3.294 1.376 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.880 -3.914 0.734 1.00 0.00 H new ATOM 157 N GLY A 10 2.403 -3.470 3.202 1.00 0.00 N ATOM 158 CA GLY A 10 1.156 -3.354 2.522 1.00 0.00 C ATOM 159 C GLY A 10 0.101 -2.799 3.452 1.00 0.00 C ATOM 160 O GLY A 10 -0.720 -1.974 3.067 1.00 0.00 O ATOM 0 H GLY A 10 2.665 -4.423 3.454 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.266 -2.702 1.655 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.845 -4.330 2.149 1.00 0.00 H new ATOM 164 N TRP A 11 0.098 -3.286 4.680 1.00 0.00 N ATOM 165 CA TRP A 11 -0.899 -2.837 5.617 1.00 0.00 C ATOM 166 C TRP A 11 -0.727 -1.419 6.046 1.00 0.00 C ATOM 167 O TRP A 11 -1.685 -0.649 6.014 1.00 0.00 O ATOM 168 CB TRP A 11 -1.022 -3.755 6.810 1.00 0.00 C ATOM 169 CG TRP A 11 -2.482 -3.845 7.167 1.00 0.00 C ATOM 170 CD1 TRP A 11 -2.937 -3.957 8.417 1.00 0.00 C ATOM 171 CD2 TRP A 11 -3.679 -3.804 6.295 1.00 0.00 C ATOM 172 NE1 TRP A 11 -4.320 -4.023 8.390 1.00 0.00 N ATOM 173 CE2 TRP A 11 -4.820 -3.922 7.110 1.00 0.00 C ATOM 174 CE3 TRP A 11 -3.888 -3.686 4.896 1.00 0.00 C ATOM 175 CZ2 TRP A 11 -6.107 -3.921 6.571 1.00 0.00 C ATOM 176 CZ3 TRP A 11 -5.165 -3.682 4.353 1.00 0.00 C ATOM 177 CH2 TRP A 11 -6.283 -3.798 5.186 1.00 0.00 C ATOM 0 H TRP A 11 0.759 -3.975 5.039 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.838 -2.877 5.065 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -0.624 -4.742 6.576 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -0.445 -3.369 7.651 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -2.325 -3.991 9.306 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -4.901 -4.134 9.221 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -3.035 -3.597 4.240 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -6.966 -4.015 7.220 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -5.296 -3.589 3.285 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -7.277 -3.793 4.764 1.00 0.00 H new ATOM 188 N ALA A 12 0.468 -1.057 6.439 1.00 0.00 N ATOM 189 CA ALA A 12 0.692 0.293 6.850 1.00 0.00 C ATOM 190 C ALA A 12 0.296 1.213 5.693 1.00 0.00 C ATOM 191 O ALA A 12 -0.350 2.228 5.894 1.00 0.00 O ATOM 192 CB ALA A 12 2.151 0.480 7.243 1.00 0.00 C ATOM 0 H ALA A 12 1.283 -1.669 6.481 1.00 0.00 H new ATOM 0 HA ALA A 12 0.088 0.539 7.724 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.314 1.511 7.555 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.395 -0.191 8.066 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.790 0.254 6.389 1.00 0.00 H new ATOM 198 N THR A 13 0.618 0.782 4.465 1.00 0.00 N ATOM 199 CA THR A 13 0.235 1.515 3.263 1.00 0.00 C ATOM 200 C THR A 13 -1.274 1.718 3.247 1.00 0.00 C ATOM 201 O THR A 13 -1.745 2.822 2.997 1.00 0.00 O ATOM 202 CB THR A 13 0.681 0.704 2.046 1.00 0.00 C ATOM 203 OG1 THR A 13 2.072 0.860 1.886 1.00 0.00 O ATOM 204 CG2 THR A 13 -0.036 1.163 0.782 1.00 0.00 C ATOM 0 H THR A 13 1.144 -0.073 4.284 1.00 0.00 H new ATOM 0 HA THR A 13 0.711 2.495 3.244 1.00 0.00 H new ATOM 0 HB THR A 13 0.431 -0.344 2.210 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.515 -0.005 2.012 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.303 0.567 -0.065 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.111 1.037 0.907 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.187 2.214 0.599 1.00 0.00 H new ATOM 212 N TRP A 14 -2.010 0.648 3.538 1.00 0.00 N ATOM 213 CA TRP A 14 -3.473 0.690 3.574 1.00 0.00 C ATOM 214 C TRP A 14 -3.988 1.562 4.707 1.00 0.00 C ATOM 215 O TRP A 14 -4.891 2.365 4.519 1.00 0.00 O ATOM 216 CB TRP A 14 -3.991 -0.716 3.811 1.00 0.00 C ATOM 217 CG TRP A 14 -5.464 -0.787 3.577 1.00 0.00 C ATOM 218 CD1 TRP A 14 -6.403 -0.812 4.551 1.00 0.00 C ATOM 219 CD2 TRP A 14 -6.185 -0.870 2.316 1.00 0.00 C ATOM 220 NE1 TRP A 14 -7.647 -0.947 3.973 1.00 0.00 N ATOM 221 CE2 TRP A 14 -7.565 -0.984 2.601 1.00 0.00 C ATOM 222 CE3 TRP A 14 -5.787 -0.870 0.966 1.00 0.00 C ATOM 223 CZ2 TRP A 14 -8.502 -1.104 1.586 1.00 0.00 C ATOM 224 CZ3 TRP A 14 -6.725 -0.990 -0.041 1.00 0.00 C ATOM 225 CH2 TRP A 14 -8.071 -1.111 0.263 1.00 0.00 C ATOM 0 H TRP A 14 -1.615 -0.267 3.754 1.00 0.00 H new ATOM 0 HA TRP A 14 -3.818 1.103 2.626 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -3.479 -1.413 3.148 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -3.766 -1.024 4.832 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -6.209 -0.738 5.611 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -8.519 -1.011 4.498 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -4.741 -0.776 0.716 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -9.553 -1.191 1.819 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -6.407 -0.989 -1.073 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -8.793 -1.212 -0.534 1.00 0.00 H new ATOM 236 N GLU A 15 -3.418 1.374 5.888 1.00 0.00 N ATOM 237 CA GLU A 15 -3.836 2.126 7.061 1.00 0.00 C ATOM 238 C GLU A 15 -3.620 3.617 6.814 1.00 0.00 C ATOM 239 O GLU A 15 -4.457 4.447 7.177 1.00 0.00 O ATOM 240 CB GLU A 15 -3.051 1.618 8.273 1.00 0.00 C ATOM 241 CG GLU A 15 -3.435 0.147 8.539 1.00 0.00 C ATOM 242 CD GLU A 15 -2.459 -0.481 9.532 1.00 0.00 C ATOM 243 OE1 GLU A 15 -2.681 -0.343 10.723 1.00 0.00 O ATOM 244 OE2 GLU A 15 -1.500 -1.092 9.084 1.00 0.00 O ATOM 0 H GLU A 15 -2.665 0.707 6.059 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.898 1.982 7.260 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.980 1.700 8.089 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.272 2.229 9.148 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.450 0.094 8.932 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.426 -0.414 7.604 1.00 0.00 H new ATOM 251 N ILE A 16 -2.523 3.931 6.125 1.00 0.00 N ATOM 252 CA ILE A 16 -2.214 5.306 5.740 1.00 0.00 C ATOM 253 C ILE A 16 -3.205 5.734 4.646 1.00 0.00 C ATOM 254 O ILE A 16 -3.666 6.876 4.607 1.00 0.00 O ATOM 255 CB ILE A 16 -0.759 5.366 5.219 1.00 0.00 C ATOM 256 CG1 ILE A 16 0.209 5.042 6.370 1.00 0.00 C ATOM 257 CG2 ILE A 16 -0.432 6.755 4.655 1.00 0.00 C ATOM 258 CD1 ILE A 16 1.663 4.987 5.867 1.00 0.00 C ATOM 0 H ILE A 16 -1.831 3.247 5.821 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.305 5.982 6.590 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.649 4.634 4.419 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.118 5.798 7.150 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.061 4.086 6.819 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.597 6.769 4.296 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.107 6.981 3.830 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.553 7.503 5.438 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.328 4.756 6.700 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.755 4.214 5.104 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.937 5.952 5.440 1.00 0.00 H new ATOM 270 N PHE A 17 -3.532 4.770 3.783 1.00 0.00 N ATOM 271 CA PHE A 17 -4.484 4.957 2.681 1.00 0.00 C ATOM 272 C PHE A 17 -5.883 5.241 3.239 1.00 0.00 C ATOM 273 O PHE A 17 -6.665 5.988 2.648 1.00 0.00 O ATOM 274 CB PHE A 17 -4.528 3.650 1.873 1.00 0.00 C ATOM 275 CG PHE A 17 -4.790 3.877 0.403 1.00 0.00 C ATOM 276 CD1 PHE A 17 -3.720 4.110 -0.479 1.00 0.00 C ATOM 277 CD2 PHE A 17 -6.094 3.786 -0.090 1.00 0.00 C ATOM 278 CE1 PHE A 17 -3.961 4.247 -1.846 1.00 0.00 C ATOM 279 CE2 PHE A 17 -6.338 3.935 -1.456 1.00 0.00 C ATOM 280 CZ PHE A 17 -5.272 4.161 -2.334 1.00 0.00 C ATOM 0 H PHE A 17 -3.141 3.829 3.828 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.174 5.796 2.058 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.581 3.124 1.991 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.305 3.003 2.280 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.712 4.183 -0.098 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.915 3.600 0.587 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -3.140 4.419 -2.526 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.348 3.876 -1.835 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.460 4.270 -3.392 1.00 0.00 H new ATOM 290 N ASN A 18 -6.188 4.590 4.367 1.00 0.00 N ATOM 291 CA ASN A 18 -7.493 4.703 5.021 1.00 0.00 C ATOM 292 C ASN A 18 -7.546 5.817 6.074 1.00 0.00 C ATOM 293 O ASN A 18 -8.560 5.951 6.765 1.00 0.00 O ATOM 294 CB ASN A 18 -7.840 3.363 5.697 1.00 0.00 C ATOM 295 CG ASN A 18 -8.145 2.286 4.655 1.00 0.00 C ATOM 296 OD1 ASN A 18 -9.176 1.620 4.737 1.00 0.00 O ATOM 297 ND2 ASN A 18 -7.308 2.064 3.681 1.00 0.00 N ATOM 0 H ASN A 18 -5.537 3.971 4.850 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.215 4.956 4.245 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -7.008 3.042 6.324 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.701 3.494 6.352 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -7.509 1.341 2.991 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.452 2.614 3.609 1.00 0.00 H new ATOM 304 N LEU A 19 -6.483 6.623 6.208 1.00 0.00 N ATOM 305 CA LEU A 19 -6.508 7.698 7.202 1.00 0.00 C ATOM 306 C LEU A 19 -7.517 8.768 6.772 1.00 0.00 C ATOM 307 O LEU A 19 -7.629 9.066 5.581 1.00 0.00 O ATOM 308 CB LEU A 19 -5.123 8.318 7.392 1.00 0.00 C ATOM 309 CG LEU A 19 -4.416 7.678 8.604 1.00 0.00 C ATOM 310 CD1 LEU A 19 -3.024 8.245 8.717 1.00 0.00 C ATOM 311 CD2 LEU A 19 -5.154 7.996 9.906 1.00 0.00 C ATOM 0 H LEU A 19 -5.625 6.554 5.661 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.811 7.274 8.159 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.524 8.171 6.493 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.215 9.394 7.542 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.397 6.599 8.453 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.517 7.797 9.572 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.466 8.023 7.807 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.081 9.325 8.854 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.632 7.532 10.743 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.185 9.076 10.052 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.171 7.608 9.852 1.00 0.00 H new ATOM 323 N PRO A 20 -8.281 9.317 7.696 1.00 0.00 N ATOM 324 CA PRO A 20 -9.329 10.328 7.385 1.00 0.00 C ATOM 325 C PRO A 20 -8.838 11.762 7.140 1.00 0.00 C ATOM 326 O PRO A 20 -9.684 12.654 7.025 1.00 0.00 O ATOM 327 CB PRO A 20 -10.254 10.283 8.620 1.00 0.00 C ATOM 328 CG PRO A 20 -9.702 9.246 9.540 1.00 0.00 C ATOM 329 CD PRO A 20 -8.254 9.057 9.140 1.00 0.00 C ATOM 0 HA PRO A 20 -9.803 10.076 6.436 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.289 11.255 9.111 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.275 10.036 8.329 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.781 9.565 10.579 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.256 8.312 9.451 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.596 9.750 9.664 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -7.900 8.051 9.364 1.00 0.00 H new ATOM 337 N ASN A 21 -7.516 12.029 7.056 1.00 0.00 N ATOM 338 CA ASN A 21 -7.101 13.437 6.824 1.00 0.00 C ATOM 339 C ASN A 21 -5.873 13.582 5.936 1.00 0.00 C ATOM 340 O ASN A 21 -5.479 14.706 5.619 1.00 0.00 O ATOM 341 CB ASN A 21 -6.845 14.155 8.153 1.00 0.00 C ATOM 342 CG ASN A 21 -8.143 14.323 8.942 1.00 0.00 C ATOM 343 OD1 ASN A 21 -9.084 14.955 8.465 1.00 0.00 O ATOM 344 ND2 ASN A 21 -8.249 13.799 10.131 1.00 0.00 N ATOM 0 H ASN A 21 -6.763 11.346 7.138 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.935 13.898 6.295 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.126 13.588 8.745 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.401 15.132 7.963 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.111 13.914 10.664 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.470 13.274 10.528 1.00 0.00 H new ATOM 351 N LEU A 22 -5.277 12.478 5.518 1.00 0.00 N ATOM 352 CA LEU A 22 -4.104 12.562 4.652 1.00 0.00 C ATOM 353 C LEU A 22 -4.527 12.866 3.228 1.00 0.00 C ATOM 354 O LEU A 22 -5.529 12.332 2.746 1.00 0.00 O ATOM 355 CB LEU A 22 -3.323 11.251 4.687 1.00 0.00 C ATOM 356 CG LEU A 22 -2.885 10.956 6.121 1.00 0.00 C ATOM 357 CD1 LEU A 22 -2.111 9.653 6.159 1.00 0.00 C ATOM 358 CD2 LEU A 22 -1.980 12.069 6.630 1.00 0.00 C ATOM 0 H LEU A 22 -5.574 11.531 5.755 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.463 13.366 5.015 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.942 10.437 4.310 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.451 11.317 4.036 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.773 10.886 6.749 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.800 9.445 7.183 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.745 8.842 5.800 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.231 9.734 5.521 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.673 11.850 7.653 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.098 12.140 5.994 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.520 13.016 6.608 1.00 0.00 H new ATOM 370 N ASN A 23 -3.753 13.716 2.553 1.00 0.00 N ATOM 371 CA ASN A 23 -4.063 14.065 1.175 1.00 0.00 C ATOM 372 C ASN A 23 -3.332 13.115 0.241 1.00 0.00 C ATOM 373 O ASN A 23 -2.444 12.373 0.672 1.00 0.00 O ATOM 374 CB ASN A 23 -3.702 15.534 0.882 1.00 0.00 C ATOM 375 CG ASN A 23 -2.190 15.760 0.874 1.00 0.00 C ATOM 376 OD1 ASN A 23 -1.447 15.057 1.550 1.00 0.00 O ATOM 377 ND2 ASN A 23 -1.692 16.719 0.144 1.00 0.00 N ATOM 0 H ASN A 23 -2.921 14.167 2.934 1.00 0.00 H new ATOM 0 HA ASN A 23 -5.136 13.963 1.011 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -4.117 15.824 -0.083 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -4.161 16.177 1.633 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.685 16.884 0.136 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -2.309 17.305 -0.419 1.00 0.00 H new ATOM 384 N GLY A 24 -3.722 13.127 -1.028 1.00 0.00 N ATOM 385 CA GLY A 24 -3.115 12.246 -2.018 1.00 0.00 C ATOM 386 C GLY A 24 -1.592 12.276 -1.945 1.00 0.00 C ATOM 387 O GLY A 24 -0.944 11.270 -2.199 1.00 0.00 O ATOM 0 H GLY A 24 -4.454 13.735 -1.395 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.466 11.226 -1.861 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.437 12.544 -3.016 1.00 0.00 H new ATOM 391 N VAL A 25 -1.029 13.436 -1.601 1.00 0.00 N ATOM 392 CA VAL A 25 0.423 13.583 -1.510 1.00 0.00 C ATOM 393 C VAL A 25 1.007 12.931 -0.261 1.00 0.00 C ATOM 394 O VAL A 25 1.993 12.209 -0.363 1.00 0.00 O ATOM 395 CB VAL A 25 0.798 15.063 -1.560 1.00 0.00 C ATOM 396 CG1 VAL A 25 2.312 15.221 -1.369 1.00 0.00 C ATOM 397 CG2 VAL A 25 0.398 15.620 -2.931 1.00 0.00 C ATOM 0 H VAL A 25 -1.554 14.283 -1.382 1.00 0.00 H new ATOM 0 HA VAL A 25 0.854 13.062 -2.365 1.00 0.00 H new ATOM 0 HB VAL A 25 0.281 15.604 -0.767 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.575 16.278 -1.405 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.602 14.808 -0.403 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.836 14.689 -2.163 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.659 16.677 -2.984 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.927 15.076 -3.713 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.677 15.504 -3.071 1.00 0.00 H new ATOM 407 N GLN A 26 0.428 13.196 0.917 1.00 0.00 N ATOM 408 CA GLN A 26 0.976 12.611 2.143 1.00 0.00 C ATOM 409 C GLN A 26 0.861 11.100 2.118 1.00 0.00 C ATOM 410 O GLN A 26 1.809 10.401 2.469 1.00 0.00 O ATOM 411 CB GLN A 26 0.308 13.173 3.410 1.00 0.00 C ATOM 412 CG GLN A 26 1.237 14.215 4.080 1.00 0.00 C ATOM 413 CD GLN A 26 2.638 13.655 4.334 1.00 0.00 C ATOM 414 OE1 GLN A 26 3.591 14.416 4.492 1.00 0.00 O ATOM 415 NE2 GLN A 26 2.817 12.375 4.389 1.00 0.00 N ATOM 0 H GLN A 26 -0.391 13.790 1.045 1.00 0.00 H new ATOM 0 HA GLN A 26 2.030 12.888 2.179 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.646 13.635 3.154 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.093 12.363 4.107 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.309 15.098 3.445 1.00 0.00 H new ATOM 0 HG3 GLN A 26 0.799 14.537 5.025 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.027 11.743 4.258 1.00 0.00 H new ATOM 0 HE22 GLN A 26 3.748 11.997 4.563 1.00 0.00 H new ATOM 424 N VAL A 27 -0.283 10.594 1.669 1.00 0.00 N ATOM 425 CA VAL A 27 -0.464 9.145 1.579 1.00 0.00 C ATOM 426 C VAL A 27 0.571 8.591 0.605 1.00 0.00 C ATOM 427 O VAL A 27 1.232 7.589 0.876 1.00 0.00 O ATOM 428 CB VAL A 27 -1.879 8.793 1.095 1.00 0.00 C ATOM 429 CG1 VAL A 27 -2.027 7.271 1.036 1.00 0.00 C ATOM 430 CG2 VAL A 27 -2.919 9.361 2.069 1.00 0.00 C ATOM 0 H VAL A 27 -1.084 11.149 1.367 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.332 8.704 2.567 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.038 9.222 0.106 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.030 7.016 0.693 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.291 6.860 0.344 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.865 6.851 2.029 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.920 9.108 1.720 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.761 8.934 3.059 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.816 10.445 2.120 1.00 0.00 H new ATOM 440 N LYS A 28 0.720 9.300 -0.512 1.00 0.00 N ATOM 441 CA LYS A 28 1.690 8.956 -1.540 1.00 0.00 C ATOM 442 C LYS A 28 3.104 9.035 -0.967 1.00 0.00 C ATOM 443 O LYS A 28 3.979 8.253 -1.335 1.00 0.00 O ATOM 444 CB LYS A 28 1.517 9.932 -2.717 1.00 0.00 C ATOM 445 CG LYS A 28 2.448 9.588 -3.880 1.00 0.00 C ATOM 446 CD LYS A 28 2.594 10.821 -4.782 1.00 0.00 C ATOM 447 CE LYS A 28 1.269 11.108 -5.505 1.00 0.00 C ATOM 448 NZ LYS A 28 0.494 12.127 -4.740 1.00 0.00 N ATOM 0 H LYS A 28 0.168 10.131 -0.727 1.00 0.00 H new ATOM 0 HA LYS A 28 1.528 7.937 -1.890 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.483 9.908 -3.060 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.718 10.949 -2.379 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.423 9.279 -3.503 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.046 8.750 -4.449 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.886 11.685 -4.185 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.387 10.655 -5.512 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.464 11.468 -6.515 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.688 10.190 -5.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.233 12.544 -5.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.038 11.674 -3.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.136 12.875 -4.408 1.00 0.00 H new ATOM 462 N ALA A 29 3.307 9.997 -0.067 1.00 0.00 N ATOM 463 CA ALA A 29 4.595 10.209 0.568 1.00 0.00 C ATOM 464 C ALA A 29 4.928 9.069 1.488 1.00 0.00 C ATOM 465 O ALA A 29 6.049 8.565 1.489 1.00 0.00 O ATOM 466 CB ALA A 29 4.558 11.482 1.393 1.00 0.00 C ATOM 0 H ALA A 29 2.582 10.646 0.238 1.00 0.00 H new ATOM 0 HA ALA A 29 5.348 10.281 -0.217 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.527 11.636 1.867 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.332 12.329 0.745 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.788 11.396 2.160 1.00 0.00 H new ATOM 472 N PHE A 30 3.937 8.659 2.264 1.00 0.00 N ATOM 473 CA PHE A 30 4.120 7.574 3.170 1.00 0.00 C ATOM 474 C PHE A 30 4.364 6.331 2.365 1.00 0.00 C ATOM 475 O PHE A 30 5.248 5.547 2.690 1.00 0.00 O ATOM 476 CB PHE A 30 2.903 7.407 4.056 1.00 0.00 C ATOM 477 CG PHE A 30 2.752 8.609 4.964 1.00 0.00 C ATOM 478 CD1 PHE A 30 3.820 9.017 5.787 1.00 0.00 C ATOM 479 CD2 PHE A 30 1.539 9.315 4.998 1.00 0.00 C ATOM 480 CE1 PHE A 30 3.668 10.115 6.616 1.00 0.00 C ATOM 481 CE2 PHE A 30 1.398 10.409 5.843 1.00 0.00 C ATOM 482 CZ PHE A 30 2.464 10.809 6.648 1.00 0.00 C ATOM 0 H PHE A 30 3.004 9.071 2.273 1.00 0.00 H new ATOM 0 HA PHE A 30 4.972 7.770 3.820 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.010 7.291 3.442 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.000 6.500 4.653 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.754 8.475 5.771 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.717 9.008 4.368 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.489 10.434 7.241 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.463 10.949 5.876 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.354 11.663 7.300 1.00 0.00 H new ATOM 492 N ILE A 31 3.609 6.191 1.269 1.00 0.00 N ATOM 493 CA ILE A 31 3.801 5.061 0.387 1.00 0.00 C ATOM 494 C ILE A 31 5.213 5.111 -0.149 1.00 0.00 C ATOM 495 O ILE A 31 5.916 4.125 -0.151 1.00 0.00 O ATOM 496 CB ILE A 31 2.785 5.062 -0.780 1.00 0.00 C ATOM 497 CG1 ILE A 31 1.427 4.543 -0.262 1.00 0.00 C ATOM 498 CG2 ILE A 31 3.296 4.167 -1.941 1.00 0.00 C ATOM 499 CD1 ILE A 31 0.359 4.629 -1.356 1.00 0.00 C ATOM 0 H ILE A 31 2.875 6.840 0.985 1.00 0.00 H new ATOM 0 HA ILE A 31 3.637 4.142 0.950 1.00 0.00 H new ATOM 0 HB ILE A 31 2.667 6.077 -1.160 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.530 3.510 0.071 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.115 5.128 0.604 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.571 4.177 -2.755 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.251 4.549 -2.301 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.425 3.146 -1.583 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.590 4.258 -0.968 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.242 5.666 -1.670 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.663 4.024 -2.210 1.00 0.00 H new ATOM 511 N ASP A 32 5.621 6.279 -0.588 1.00 0.00 N ATOM 512 CA ASP A 32 6.957 6.433 -1.132 1.00 0.00 C ATOM 513 C ASP A 32 8.022 6.105 -0.090 1.00 0.00 C ATOM 514 O ASP A 32 9.011 5.437 -0.390 1.00 0.00 O ATOM 515 CB ASP A 32 7.134 7.860 -1.665 1.00 0.00 C ATOM 516 CG ASP A 32 8.470 7.985 -2.396 1.00 0.00 C ATOM 517 OD1 ASP A 32 8.515 7.649 -3.568 1.00 0.00 O ATOM 518 OD2 ASP A 32 9.429 8.406 -1.771 1.00 0.00 O ATOM 0 H ASP A 32 5.058 7.129 -0.581 1.00 0.00 H new ATOM 0 HA ASP A 32 7.081 5.728 -1.954 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.316 8.108 -2.341 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.093 8.572 -0.841 1.00 0.00 H new ATOM 523 N SER A 33 7.793 6.559 1.128 1.00 0.00 N ATOM 524 CA SER A 33 8.714 6.294 2.229 1.00 0.00 C ATOM 525 C SER A 33 8.694 4.799 2.554 1.00 0.00 C ATOM 526 O SER A 33 9.722 4.193 2.844 1.00 0.00 O ATOM 527 CB SER A 33 8.306 7.119 3.443 1.00 0.00 C ATOM 528 OG SER A 33 9.357 7.085 4.397 1.00 0.00 O ATOM 0 H SER A 33 6.977 7.114 1.385 1.00 0.00 H new ATOM 0 HA SER A 33 9.728 6.576 1.945 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.099 8.147 3.147 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.389 6.721 3.878 1.00 0.00 H new ATOM 0 HG SER A 33 9.461 7.972 4.801 1.00 0.00 H new ATOM 534 N LEU A 34 7.499 4.225 2.442 1.00 0.00 N ATOM 535 CA LEU A 34 7.259 2.795 2.645 1.00 0.00 C ATOM 536 C LEU A 34 8.088 2.016 1.630 1.00 0.00 C ATOM 537 O LEU A 34 8.842 1.109 1.972 1.00 0.00 O ATOM 538 CB LEU A 34 5.768 2.553 2.394 1.00 0.00 C ATOM 539 CG LEU A 34 4.997 2.397 3.703 1.00 0.00 C ATOM 540 CD1 LEU A 34 3.742 3.271 3.701 1.00 0.00 C ATOM 541 CD2 LEU A 34 4.585 0.947 3.838 1.00 0.00 C ATOM 0 H LEU A 34 6.655 4.747 2.204 1.00 0.00 H new ATOM 0 HA LEU A 34 7.535 2.476 3.650 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.354 3.385 1.824 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.641 1.657 1.787 1.00 0.00 H new ATOM 0 HG LEU A 34 5.632 2.704 4.534 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.209 3.144 4.643 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.027 4.317 3.584 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.095 2.976 2.875 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.032 0.811 4.767 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.953 0.668 2.995 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.474 0.316 3.849 1.00 0.00 H new ATOM 553 N ARG A 35 7.940 2.424 0.381 1.00 0.00 N ATOM 554 CA ARG A 35 8.670 1.828 -0.740 1.00 0.00 C ATOM 555 C ARG A 35 10.177 1.966 -0.524 1.00 0.00 C ATOM 556 O ARG A 35 10.938 1.022 -0.737 1.00 0.00 O ATOM 557 CB ARG A 35 8.289 2.561 -2.026 1.00 0.00 C ATOM 558 CG ARG A 35 6.810 2.340 -2.325 1.00 0.00 C ATOM 559 CD ARG A 35 6.366 3.227 -3.487 1.00 0.00 C ATOM 560 NE ARG A 35 6.943 2.755 -4.730 1.00 0.00 N ATOM 561 CZ ARG A 35 6.580 1.603 -5.279 1.00 0.00 C ATOM 562 NH1 ARG A 35 5.737 0.818 -4.667 1.00 0.00 N ATOM 563 NH2 ARG A 35 7.063 1.265 -6.433 1.00 0.00 N ATOM 0 H ARG A 35 7.311 3.179 0.109 1.00 0.00 H new ATOM 0 HA ARG A 35 8.412 0.771 -0.811 1.00 0.00 H new ATOM 0 HB2 ARG A 35 8.494 3.627 -1.923 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.896 2.199 -2.856 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.634 1.293 -2.570 1.00 0.00 H new ATOM 0 HG3 ARG A 35 6.215 2.564 -1.439 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.278 3.225 -3.559 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.672 4.257 -3.304 1.00 0.00 H new ATOM 0 HE ARG A 35 7.649 3.325 -5.196 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.353 1.089 -3.762 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.462 -0.066 -5.094 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.717 1.883 -6.913 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.789 0.381 -6.862 1.00 0.00 H new ATOM 577 N ASP A 36 10.582 3.161 -0.089 1.00 0.00 N ATOM 578 CA ASP A 36 11.986 3.460 0.175 1.00 0.00 C ATOM 579 C ASP A 36 12.493 2.648 1.359 1.00 0.00 C ATOM 580 O ASP A 36 13.627 2.165 1.359 1.00 0.00 O ATOM 581 CB ASP A 36 12.143 4.948 0.463 1.00 0.00 C ATOM 582 CG ASP A 36 13.622 5.310 0.607 1.00 0.00 C ATOM 583 OD1 ASP A 36 14.254 5.554 -0.408 1.00 0.00 O ATOM 584 OD2 ASP A 36 14.101 5.334 1.729 1.00 0.00 O ATOM 0 H ASP A 36 9.950 3.941 0.088 1.00 0.00 H new ATOM 0 HA ASP A 36 12.574 3.194 -0.703 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.696 5.530 -0.343 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.608 5.206 1.377 1.00 0.00 H new ATOM 589 N ASP A 37 11.630 2.506 2.360 1.00 0.00 N ATOM 590 CA ASP A 37 11.960 1.755 3.563 1.00 0.00 C ATOM 591 C ASP A 37 10.713 1.070 4.106 1.00 0.00 C ATOM 592 O ASP A 37 9.911 1.679 4.821 1.00 0.00 O ATOM 593 CB ASP A 37 12.571 2.680 4.628 1.00 0.00 C ATOM 594 CG ASP A 37 13.275 1.854 5.712 1.00 0.00 C ATOM 595 OD1 ASP A 37 12.643 0.966 6.267 1.00 0.00 O ATOM 596 OD2 ASP A 37 14.434 2.124 5.973 1.00 0.00 O ATOM 0 H ASP A 37 10.691 2.905 2.360 1.00 0.00 H new ATOM 0 HA ASP A 37 12.698 0.994 3.309 1.00 0.00 H new ATOM 0 HB2 ASP A 37 13.282 3.362 4.162 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.790 3.293 5.078 1.00 0.00 H new ATOM 601 N PRO A 38 10.532 -0.181 3.765 1.00 0.00 N ATOM 602 CA PRO A 38 9.356 -0.966 4.211 1.00 0.00 C ATOM 603 C PRO A 38 9.385 -1.286 5.700 1.00 0.00 C ATOM 604 O PRO A 38 8.341 -1.380 6.337 1.00 0.00 O ATOM 605 CB PRO A 38 9.393 -2.235 3.369 1.00 0.00 C ATOM 606 CG PRO A 38 10.574 -2.147 2.457 1.00 0.00 C ATOM 607 CD PRO A 38 11.432 -0.981 2.921 1.00 0.00 C ATOM 0 HA PRO A 38 8.434 -0.400 4.074 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.469 -3.115 4.008 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.473 -2.338 2.793 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.145 -3.075 2.481 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.251 -1.998 1.427 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.301 -1.325 3.481 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.806 -0.401 2.077 1.00 0.00 H new ATOM 615 N SER A 39 10.582 -1.430 6.252 1.00 0.00 N ATOM 616 CA SER A 39 10.722 -1.704 7.678 1.00 0.00 C ATOM 617 C SER A 39 10.161 -0.518 8.454 1.00 0.00 C ATOM 618 O SER A 39 9.640 -0.660 9.562 1.00 0.00 O ATOM 619 CB SER A 39 12.194 -1.920 8.038 1.00 0.00 C ATOM 620 OG SER A 39 12.742 -2.930 7.198 1.00 0.00 O ATOM 0 H SER A 39 11.463 -1.363 5.742 1.00 0.00 H new ATOM 0 HA SER A 39 10.175 -2.611 7.935 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.750 -0.990 7.917 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.285 -2.212 9.084 1.00 0.00 H new ATOM 0 HG SER A 39 13.685 -3.069 7.426 1.00 0.00 H new ATOM 626 N GLN A 40 10.278 0.654 7.829 1.00 0.00 N ATOM 627 CA GLN A 40 9.798 1.902 8.401 1.00 0.00 C ATOM 628 C GLN A 40 8.292 2.079 8.147 1.00 0.00 C ATOM 629 O GLN A 40 7.701 3.051 8.581 1.00 0.00 O ATOM 630 CB GLN A 40 10.581 3.064 7.763 1.00 0.00 C ATOM 631 CG GLN A 40 10.427 4.352 8.582 1.00 0.00 C ATOM 632 CD GLN A 40 11.233 5.474 7.936 1.00 0.00 C ATOM 633 OE1 GLN A 40 10.892 5.939 6.849 1.00 0.00 O ATOM 634 NE2 GLN A 40 12.291 5.939 8.542 1.00 0.00 N ATOM 0 H GLN A 40 10.710 0.760 6.911 1.00 0.00 H new ATOM 0 HA GLN A 40 9.954 1.889 9.480 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.636 2.799 7.692 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.225 3.231 6.747 1.00 0.00 H new ATOM 0 HG2 GLN A 40 9.376 4.634 8.640 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.769 4.187 9.604 1.00 0.00 H new ATOM 0 HE21 GLN A 40 12.573 5.553 9.443 1.00 0.00 H new ATOM 0 HE22 GLN A 40 12.836 6.688 8.115 1.00 0.00 H new ATOM 643 N SER A 41 7.675 1.143 7.427 1.00 0.00 N ATOM 644 CA SER A 41 6.248 1.242 7.098 1.00 0.00 C ATOM 645 C SER A 41 5.385 1.533 8.330 1.00 0.00 C ATOM 646 O SER A 41 4.434 2.313 8.257 1.00 0.00 O ATOM 647 CB SER A 41 5.790 -0.085 6.498 1.00 0.00 C ATOM 648 OG SER A 41 5.896 -1.113 7.476 1.00 0.00 O ATOM 0 H SER A 41 8.136 0.310 7.060 1.00 0.00 H new ATOM 0 HA SER A 41 6.128 2.067 6.396 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.760 -0.003 6.152 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.399 -0.332 5.629 1.00 0.00 H new ATOM 0 HG SER A 41 6.767 -1.554 7.393 1.00 0.00 H new ATOM 654 N ALA A 42 5.740 0.922 9.451 1.00 0.00 N ATOM 655 CA ALA A 42 5.018 1.121 10.701 1.00 0.00 C ATOM 656 C ALA A 42 5.181 2.552 11.170 1.00 0.00 C ATOM 657 O ALA A 42 4.261 3.170 11.706 1.00 0.00 O ATOM 658 CB ALA A 42 5.614 0.213 11.760 1.00 0.00 C ATOM 0 H ALA A 42 6.529 0.280 9.521 1.00 0.00 H new ATOM 0 HA ALA A 42 3.963 0.899 10.542 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.082 0.353 12.701 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.522 -0.826 11.442 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.667 0.458 11.899 1.00 0.00 H new ATOM 664 N ASN A 43 6.386 3.050 10.961 1.00 0.00 N ATOM 665 CA ASN A 43 6.755 4.388 11.344 1.00 0.00 C ATOM 666 C ASN A 43 6.036 5.414 10.482 1.00 0.00 C ATOM 667 O ASN A 43 5.667 6.487 10.938 1.00 0.00 O ATOM 668 CB ASN A 43 8.260 4.525 11.160 1.00 0.00 C ATOM 669 CG ASN A 43 8.995 4.176 12.450 1.00 0.00 C ATOM 670 OD1 ASN A 43 8.726 3.140 13.060 1.00 0.00 O ATOM 671 ND2 ASN A 43 9.917 4.978 12.901 1.00 0.00 N ATOM 0 H ASN A 43 7.139 2.526 10.515 1.00 0.00 H new ATOM 0 HA ASN A 43 6.473 4.567 12.381 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.594 3.869 10.356 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.504 5.545 10.861 1.00 0.00 H new ATOM 0 HD21 ASN A 43 10.417 4.748 13.760 1.00 0.00 H new ATOM 0 HD22 ASN A 43 10.139 5.835 12.395 1.00 0.00 H new ATOM 678 N LEU A 44 5.861 5.053 9.228 1.00 0.00 N ATOM 679 CA LEU A 44 5.205 5.895 8.245 1.00 0.00 C ATOM 680 C LEU A 44 3.750 5.932 8.534 1.00 0.00 C ATOM 681 O LEU A 44 3.110 6.969 8.465 1.00 0.00 O ATOM 682 CB LEU A 44 5.515 5.312 6.882 1.00 0.00 C ATOM 683 CG LEU A 44 7.035 5.299 6.788 1.00 0.00 C ATOM 684 CD1 LEU A 44 7.515 4.396 5.673 1.00 0.00 C ATOM 685 CD2 LEU A 44 7.500 6.722 6.601 1.00 0.00 C ATOM 0 H LEU A 44 6.174 4.156 8.856 1.00 0.00 H new ATOM 0 HA LEU A 44 5.560 6.925 8.275 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.106 4.307 6.782 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.077 5.915 6.087 1.00 0.00 H new ATOM 0 HG LEU A 44 7.462 4.892 7.704 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.604 4.412 5.636 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.173 3.378 5.857 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.114 4.747 4.722 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.588 6.743 6.530 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.069 7.128 5.686 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.180 7.324 7.451 1.00 0.00 H new ATOM 697 N LEU A 45 3.282 4.787 8.946 1.00 0.00 N ATOM 698 CA LEU A 45 1.911 4.633 9.377 1.00 0.00 C ATOM 699 C LEU A 45 1.720 5.526 10.596 1.00 0.00 C ATOM 700 O LEU A 45 0.700 6.193 10.758 1.00 0.00 O ATOM 701 CB LEU A 45 1.649 3.158 9.711 1.00 0.00 C ATOM 702 CG LEU A 45 0.372 3.000 10.542 1.00 0.00 C ATOM 703 CD1 LEU A 45 -0.827 3.604 9.800 1.00 0.00 C ATOM 704 CD2 LEU A 45 0.137 1.509 10.794 1.00 0.00 C ATOM 0 H LEU A 45 3.836 3.932 8.994 1.00 0.00 H new ATOM 0 HA LEU A 45 1.205 4.923 8.599 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.560 2.583 8.789 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.497 2.750 10.261 1.00 0.00 H new ATOM 0 HG LEU A 45 0.484 3.526 11.490 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.727 3.484 10.404 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.648 4.664 9.622 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.959 3.094 8.846 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.769 1.378 11.385 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.026 0.992 9.841 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.987 1.093 11.336 1.00 0.00 H new ATOM 716 N ALA A 46 2.759 5.550 11.423 1.00 0.00 N ATOM 717 CA ALA A 46 2.781 6.371 12.620 1.00 0.00 C ATOM 718 C ALA A 46 2.753 7.836 12.238 1.00 0.00 C ATOM 719 O ALA A 46 1.986 8.634 12.782 1.00 0.00 O ATOM 720 CB ALA A 46 4.068 6.106 13.398 1.00 0.00 C ATOM 0 H ALA A 46 3.606 5.001 11.280 1.00 0.00 H new ATOM 0 HA ALA A 46 1.911 6.126 13.230 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.084 6.723 14.297 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.113 5.054 13.679 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.927 6.352 12.774 1.00 0.00 H new ATOM 726 N GLU A 47 3.597 8.155 11.270 1.00 0.00 N ATOM 727 CA GLU A 47 3.712 9.487 10.748 1.00 0.00 C ATOM 728 C GLU A 47 2.412 9.893 10.099 1.00 0.00 C ATOM 729 O GLU A 47 2.023 11.047 10.137 1.00 0.00 O ATOM 730 CB GLU A 47 4.791 9.506 9.682 1.00 0.00 C ATOM 731 CG GLU A 47 6.197 9.539 10.270 1.00 0.00 C ATOM 732 CD GLU A 47 6.337 10.653 11.313 1.00 0.00 C ATOM 733 OE1 GLU A 47 6.069 11.797 10.978 1.00 0.00 O ATOM 734 OE2 GLU A 47 6.707 10.345 12.434 1.00 0.00 O ATOM 0 H GLU A 47 4.223 7.482 10.827 1.00 0.00 H new ATOM 0 HA GLU A 47 3.956 10.170 11.561 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.687 8.625 9.049 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.649 10.377 9.042 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.424 8.577 10.729 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.924 9.691 9.472 1.00 0.00 H new ATOM 741 N ALA A 48 1.761 8.920 9.491 1.00 0.00 N ATOM 742 CA ALA A 48 0.518 9.148 8.820 1.00 0.00 C ATOM 743 C ALA A 48 -0.536 9.531 9.821 1.00 0.00 C ATOM 744 O ALA A 48 -1.230 10.521 9.640 1.00 0.00 O ATOM 745 CB ALA A 48 0.132 7.876 8.099 1.00 0.00 C ATOM 0 H ALA A 48 2.087 7.954 9.454 1.00 0.00 H new ATOM 0 HA ALA A 48 0.614 9.962 8.102 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.814 8.025 7.579 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.906 7.618 7.377 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.025 7.067 8.821 1.00 0.00 H new ATOM 751 N LYS A 49 -0.617 8.763 10.902 1.00 0.00 N ATOM 752 CA LYS A 49 -1.565 9.067 11.955 1.00 0.00 C ATOM 753 C LYS A 49 -1.259 10.454 12.490 1.00 0.00 C ATOM 754 O LYS A 49 -2.158 11.181 12.891 1.00 0.00 O ATOM 755 CB LYS A 49 -1.478 8.025 13.077 1.00 0.00 C ATOM 756 CG LYS A 49 -2.018 6.681 12.567 1.00 0.00 C ATOM 757 CD LYS A 49 -1.991 5.645 13.698 1.00 0.00 C ATOM 758 CE LYS A 49 -2.440 4.284 13.158 1.00 0.00 C ATOM 759 NZ LYS A 49 -2.447 3.287 14.265 1.00 0.00 N ATOM 0 H LYS A 49 -0.043 7.936 11.067 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.580 9.040 11.558 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.445 7.913 13.405 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.053 8.356 13.942 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -3.037 6.804 12.199 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.416 6.332 11.728 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.986 5.570 14.112 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.647 5.960 14.509 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.435 4.365 12.721 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.769 3.957 12.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.752 2.363 13.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.490 3.203 14.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.104 3.598 15.008 1.00 0.00 H new ATOM 773 N LYS A 50 0.025 10.820 12.453 1.00 0.00 N ATOM 774 CA LYS A 50 0.452 12.123 12.903 1.00 0.00 C ATOM 775 C LYS A 50 0.063 13.186 11.893 1.00 0.00 C ATOM 776 O LYS A 50 -0.388 14.271 12.261 1.00 0.00 O ATOM 777 CB LYS A 50 1.970 12.116 13.135 1.00 0.00 C ATOM 778 CG LYS A 50 2.295 11.388 14.449 1.00 0.00 C ATOM 779 CD LYS A 50 3.778 10.973 14.477 1.00 0.00 C ATOM 780 CE LYS A 50 4.688 12.189 14.253 1.00 0.00 C ATOM 781 NZ LYS A 50 4.347 13.262 15.231 1.00 0.00 N ATOM 0 H LYS A 50 0.779 10.223 12.113 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.045 12.358 13.844 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.472 11.623 12.302 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.346 13.139 13.173 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.076 12.038 15.296 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.662 10.507 14.551 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.013 10.509 15.435 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.966 10.225 13.706 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.733 11.899 14.367 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.570 12.561 13.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.103 13.977 15.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.450 13.710 14.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.251 12.849 16.180 1.00 0.00 H new ATOM 795 N LEU A 51 0.230 12.853 10.621 1.00 0.00 N ATOM 796 CA LEU A 51 -0.114 13.764 9.545 1.00 0.00 C ATOM 797 C LEU A 51 -1.618 13.910 9.455 1.00 0.00 C ATOM 798 O LEU A 51 -2.133 15.002 9.254 1.00 0.00 O ATOM 799 CB LEU A 51 0.440 13.262 8.206 1.00 0.00 C ATOM 800 CG LEU A 51 1.776 13.942 7.872 1.00 0.00 C ATOM 801 CD1 LEU A 51 1.606 15.468 7.834 1.00 0.00 C ATOM 802 CD2 LEU A 51 2.846 13.559 8.904 1.00 0.00 C ATOM 0 H LEU A 51 0.603 11.956 10.311 1.00 0.00 H new ATOM 0 HA LEU A 51 0.333 14.734 9.761 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.579 12.182 8.248 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.281 13.460 7.413 1.00 0.00 H new ATOM 0 HG LEU A 51 2.098 13.599 6.889 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.562 15.935 7.596 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.873 15.734 7.072 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.262 15.820 8.807 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.786 14.049 8.652 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.525 13.877 9.896 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.987 12.478 8.898 1.00 0.00 H new ATOM 814 N ASN A 52 -2.309 12.787 9.624 1.00 0.00 N ATOM 815 CA ASN A 52 -3.758 12.764 9.587 1.00 0.00 C ATOM 816 C ASN A 52 -4.278 13.576 10.751 1.00 0.00 C ATOM 817 O ASN A 52 -5.155 14.421 10.592 1.00 0.00 O ATOM 818 CB ASN A 52 -4.254 11.312 9.687 1.00 0.00 C ATOM 819 CG ASN A 52 -5.619 11.224 10.367 1.00 0.00 C ATOM 820 OD1 ASN A 52 -6.605 11.739 9.853 1.00 0.00 O ATOM 821 ND2 ASN A 52 -5.734 10.588 11.497 1.00 0.00 N ATOM 0 H ASN A 52 -1.880 11.877 9.789 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.120 13.189 8.651 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -4.317 10.880 8.688 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.531 10.719 10.246 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -6.644 10.519 11.953 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -4.914 10.159 11.926 1.00 0.00 H new ATOM 828 N ASP A 53 -3.701 13.326 11.921 1.00 0.00 N ATOM 829 CA ASP A 53 -4.100 14.059 13.109 1.00 0.00 C ATOM 830 C ASP A 53 -3.798 15.545 12.932 1.00 0.00 C ATOM 831 O ASP A 53 -4.596 16.405 13.311 1.00 0.00 O ATOM 832 CB ASP A 53 -3.380 13.521 14.352 1.00 0.00 C ATOM 833 CG ASP A 53 -3.877 12.115 14.734 1.00 0.00 C ATOM 834 OD1 ASP A 53 -4.862 11.658 14.169 1.00 0.00 O ATOM 835 OD2 ASP A 53 -3.253 11.510 15.589 1.00 0.00 O ATOM 0 H ASP A 53 -2.968 12.633 12.068 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.172 13.925 13.250 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.307 13.489 14.166 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.538 14.203 15.188 1.00 0.00 H new ATOM 840 N ALA A 54 -2.641 15.828 12.332 1.00 0.00 N ATOM 841 CA ALA A 54 -2.223 17.197 12.076 1.00 0.00 C ATOM 842 C ALA A 54 -3.126 17.833 11.020 1.00 0.00 C ATOM 843 O ALA A 54 -3.483 19.009 11.116 1.00 0.00 O ATOM 844 CB ALA A 54 -0.774 17.201 11.589 1.00 0.00 C ATOM 0 H ALA A 54 -1.978 15.121 12.015 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.300 17.775 12.997 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.458 18.226 11.396 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.132 16.761 12.352 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.697 16.619 10.671 1.00 0.00 H new ATOM 850 N GLN A 55 -3.498 17.028 10.024 1.00 0.00 N ATOM 851 CA GLN A 55 -4.373 17.479 8.945 1.00 0.00 C ATOM 852 C GLN A 55 -5.833 17.474 9.403 1.00 0.00 C ATOM 853 O GLN A 55 -6.720 17.953 8.693 1.00 0.00 O ATOM 854 CB GLN A 55 -4.186 16.580 7.714 1.00 0.00 C ATOM 855 CG GLN A 55 -2.875 16.962 7.010 1.00 0.00 C ATOM 856 CD GLN A 55 -2.522 15.946 5.928 1.00 0.00 C ATOM 857 OE1 GLN A 55 -3.117 15.937 4.851 1.00 0.00 O ATOM 858 NE2 GLN A 55 -1.572 15.089 6.161 1.00 0.00 N ATOM 0 H GLN A 55 -3.204 16.055 9.944 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.107 18.501 8.676 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.161 15.532 8.013 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.028 16.697 7.031 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.971 17.953 6.566 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.068 17.017 7.740 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.082 15.101 7.056 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.317 14.405 5.449 1.00 0.00 H new ATOM 867 N ALA A 56 -6.064 16.935 10.604 1.00 0.00 N ATOM 868 CA ALA A 56 -7.406 16.870 11.181 1.00 0.00 C ATOM 869 C ALA A 56 -7.840 18.243 11.674 1.00 0.00 C ATOM 870 O ALA A 56 -7.023 19.162 11.778 1.00 0.00 O ATOM 871 CB ALA A 56 -7.439 15.868 12.346 1.00 0.00 C ATOM 0 H ALA A 56 -5.335 16.537 11.196 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.096 16.537 10.405 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.444 15.831 12.765 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.160 14.879 11.983 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.736 16.183 13.117 1.00 0.00 H new ATOM 877 N PRO A 57 -9.107 18.399 11.972 1.00 0.00 N ATOM 878 CA PRO A 57 -9.680 19.670 12.452 1.00 0.00 C ATOM 879 C PRO A 57 -9.468 19.838 13.952 1.00 0.00 C ATOM 880 O PRO A 57 -9.109 18.887 14.649 1.00 0.00 O ATOM 881 CB PRO A 57 -11.172 19.545 12.098 1.00 0.00 C ATOM 882 CG PRO A 57 -11.340 18.215 11.441 1.00 0.00 C ATOM 883 CD PRO A 57 -10.163 17.393 11.904 1.00 0.00 C ATOM 0 HA PRO A 57 -9.215 20.547 12.001 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -11.791 19.617 12.993 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -11.481 20.349 11.431 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -12.283 17.750 11.729 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -11.351 18.311 10.355 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -10.346 16.925 12.872 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -9.922 16.593 11.204 1.00 0.00 H new ATOM 891 N LYS A 58 -9.687 21.055 14.424 1.00 0.00 N ATOM 892 CA LYS A 58 -9.518 21.384 15.842 1.00 0.00 C ATOM 893 C LYS A 58 -10.703 22.209 16.348 1.00 0.00 C ATOM 894 O LYS A 58 -11.147 21.954 17.456 1.00 0.00 O ATOM 895 CB LYS A 58 -8.220 22.171 16.049 1.00 0.00 C ATOM 896 CG LYS A 58 -7.017 21.421 15.445 1.00 0.00 C ATOM 897 CD LYS A 58 -6.704 20.157 16.266 1.00 0.00 C ATOM 898 CE LYS A 58 -5.606 19.345 15.568 1.00 0.00 C ATOM 899 NZ LYS A 58 -6.185 18.629 14.395 1.00 0.00 N ATOM 900 OXT LYS A 58 -11.148 23.084 15.622 1.00 0.00 O ATOM 0 H LYS A 58 -9.985 21.841 13.846 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.470 20.453 16.406 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -8.309 23.154 15.587 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -8.055 22.333 17.114 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.233 21.147 14.412 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.145 22.075 15.426 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.382 20.434 17.270 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.603 19.551 16.376 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.802 20.005 15.244 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.170 18.629 16.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.640 17.762 14.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.175 18.380 14.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.145 19.245 13.558 1.00 0.00 H new TER 914 LYS A 58 ATOM 915 N VAL B 1 -19.010 -6.398 2.910 1.00 0.00 N ATOM 916 CA VAL B 1 -18.687 -5.953 1.523 1.00 0.00 C ATOM 917 C VAL B 1 -17.222 -6.273 1.214 1.00 0.00 C ATOM 918 O VAL B 1 -16.880 -6.610 0.078 1.00 0.00 O ATOM 919 CB VAL B 1 -18.960 -4.440 1.392 1.00 0.00 C ATOM 920 CG1 VAL B 1 -18.022 -3.639 2.311 1.00 0.00 C ATOM 921 CG2 VAL B 1 -18.750 -3.996 -0.064 1.00 0.00 C ATOM 0 H1 VAL B 1 -20.000 -6.166 3.127 1.00 0.00 H new ATOM 0 H2 VAL B 1 -18.871 -7.426 2.986 1.00 0.00 H new ATOM 0 H3 VAL B 1 -18.385 -5.913 3.585 1.00 0.00 H new ATOM 0 HA VAL B 1 -19.316 -6.481 0.806 1.00 0.00 H new ATOM 0 HB VAL B 1 -19.991 -4.249 1.688 1.00 0.00 H new ATOM 0 HG11 VAL B 1 -18.230 -2.574 2.204 1.00 0.00 H new ATOM 0 HG12 VAL B 1 -18.184 -3.938 3.346 1.00 0.00 H new ATOM 0 HG13 VAL B 1 -16.986 -3.836 2.034 1.00 0.00 H new ATOM 0 HG21 VAL B 1 -18.944 -2.927 -0.150 1.00 0.00 H new ATOM 0 HG22 VAL B 1 -17.723 -4.203 -0.363 1.00 0.00 H new ATOM 0 HG23 VAL B 1 -19.434 -4.542 -0.713 1.00 0.00 H new ATOM 933 N ASP B 2 -16.368 -6.168 2.234 1.00 0.00 N ATOM 934 CA ASP B 2 -14.943 -6.447 2.072 1.00 0.00 C ATOM 935 C ASP B 2 -14.698 -7.957 2.082 1.00 0.00 C ATOM 936 O ASP B 2 -15.075 -8.648 3.033 1.00 0.00 O ATOM 937 CB ASP B 2 -14.152 -5.780 3.205 1.00 0.00 C ATOM 938 CG ASP B 2 -12.651 -5.868 2.924 1.00 0.00 C ATOM 939 OD1 ASP B 2 -12.146 -4.995 2.238 1.00 0.00 O ATOM 940 OD2 ASP B 2 -12.029 -6.807 3.396 1.00 0.00 O ATOM 0 H ASP B 2 -16.639 -5.892 3.178 1.00 0.00 H new ATOM 0 HA ASP B 2 -14.608 -6.043 1.116 1.00 0.00 H new ATOM 0 HB2 ASP B 2 -14.451 -4.736 3.301 1.00 0.00 H new ATOM 0 HB3 ASP B 2 -14.381 -6.266 4.153 1.00 0.00 H new ATOM 945 N ASN B 3 -14.077 -8.458 1.013 1.00 0.00 N ATOM 946 CA ASN B 3 -13.789 -9.884 0.886 1.00 0.00 C ATOM 947 C ASN B 3 -12.876 -10.367 2.013 1.00 0.00 C ATOM 948 O ASN B 3 -12.140 -9.579 2.614 1.00 0.00 O ATOM 949 CB ASN B 3 -13.119 -10.164 -0.467 1.00 0.00 C ATOM 950 CG ASN B 3 -13.094 -11.664 -0.768 1.00 0.00 C ATOM 951 OD1 ASN B 3 -13.970 -12.410 -0.325 1.00 0.00 O ATOM 952 ND2 ASN B 3 -12.133 -12.154 -1.498 1.00 0.00 N ATOM 0 H ASN B 3 -13.764 -7.895 0.222 1.00 0.00 H new ATOM 0 HA ASN B 3 -14.734 -10.424 0.950 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -13.656 -9.640 -1.258 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -12.101 -9.774 -0.460 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -12.106 -13.153 -1.702 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -11.407 -11.539 -1.866 1.00 0.00 H new ATOM 959 N LYS B 4 -12.923 -11.674 2.278 1.00 0.00 N ATOM 960 CA LYS B 4 -12.095 -12.281 3.321 1.00 0.00 C ATOM 961 C LYS B 4 -10.609 -12.161 2.979 1.00 0.00 C ATOM 962 O LYS B 4 -9.744 -12.460 3.806 1.00 0.00 O ATOM 963 CB LYS B 4 -12.484 -13.755 3.512 1.00 0.00 C ATOM 964 CG LYS B 4 -12.552 -14.467 2.151 1.00 0.00 C ATOM 965 CD LYS B 4 -11.752 -15.777 2.198 1.00 0.00 C ATOM 966 CE LYS B 4 -10.258 -15.495 2.431 1.00 0.00 C ATOM 967 NZ LYS B 4 -9.441 -16.528 1.733 1.00 0.00 N ATOM 0 H LYS B 4 -13.526 -12.332 1.784 1.00 0.00 H new ATOM 0 HA LYS B 4 -12.270 -11.745 4.254 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -11.756 -14.251 4.154 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -13.449 -13.822 4.014 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -13.590 -14.675 1.893 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -12.154 -13.817 1.372 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -12.135 -16.414 2.995 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -11.883 -16.322 1.263 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -10.002 -14.502 2.060 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -10.038 -15.503 3.499 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -8.435 -16.272 1.790 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -9.589 -17.452 2.186 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -9.728 -16.582 0.735 1.00 0.00 H new ATOM 981 N PHE B 5 -10.329 -11.713 1.756 1.00 0.00 N ATOM 982 CA PHE B 5 -8.970 -11.534 1.283 1.00 0.00 C ATOM 983 C PHE B 5 -8.319 -10.303 1.898 1.00 0.00 C ATOM 984 O PHE B 5 -7.361 -9.788 1.353 1.00 0.00 O ATOM 985 CB PHE B 5 -8.975 -11.424 -0.251 1.00 0.00 C ATOM 986 CG PHE B 5 -8.909 -12.810 -0.835 1.00 0.00 C ATOM 987 CD1 PHE B 5 -9.867 -13.756 -0.465 1.00 0.00 C ATOM 988 CD2 PHE B 5 -7.895 -13.150 -1.734 1.00 0.00 C ATOM 989 CE1 PHE B 5 -9.812 -15.049 -0.991 1.00 0.00 C ATOM 990 CE2 PHE B 5 -7.838 -14.442 -2.264 1.00 0.00 C ATOM 991 CZ PHE B 5 -8.796 -15.393 -1.891 1.00 0.00 C ATOM 0 H PHE B 5 -11.042 -11.466 1.070 1.00 0.00 H new ATOM 0 HA PHE B 5 -8.383 -12.400 1.589 1.00 0.00 H new ATOM 0 HB2 PHE B 5 -9.876 -10.914 -0.590 1.00 0.00 H new ATOM 0 HB3 PHE B 5 -8.126 -10.830 -0.590 1.00 0.00 H new ATOM 0 HD1 PHE B 5 -10.651 -13.488 0.228 1.00 0.00 H new ATOM 0 HD2 PHE B 5 -7.156 -12.416 -2.019 1.00 0.00 H new ATOM 0 HE1 PHE B 5 -10.552 -15.782 -0.704 1.00 0.00 H new ATOM 0 HE2 PHE B 5 -7.056 -14.707 -2.960 1.00 0.00 H new ATOM 0 HZ PHE B 5 -8.751 -16.392 -2.298 1.00 0.00 H new ATOM 1001 N ASN B 6 -8.827 -9.840 3.040 1.00 0.00 N ATOM 1002 CA ASN B 6 -8.232 -8.675 3.698 1.00 0.00 C ATOM 1003 C ASN B 6 -6.776 -8.973 4.034 1.00 0.00 C ATOM 1004 O ASN B 6 -5.894 -8.175 3.729 1.00 0.00 O ATOM 1005 CB ASN B 6 -9.013 -8.320 4.968 1.00 0.00 C ATOM 1006 CG ASN B 6 -8.590 -6.942 5.467 1.00 0.00 C ATOM 1007 OD1 ASN B 6 -9.412 -6.030 5.555 1.00 0.00 O ATOM 1008 ND2 ASN B 6 -7.344 -6.731 5.786 1.00 0.00 N ATOM 0 H ASN B 6 -9.631 -10.242 3.521 1.00 0.00 H new ATOM 0 HA ASN B 6 -8.277 -7.820 3.023 1.00 0.00 H new ATOM 0 HB2 ASN B 6 -10.083 -8.329 4.762 1.00 0.00 H new ATOM 0 HB3 ASN B 6 -8.830 -9.068 5.739 1.00 0.00 H new ATOM 0 HD21 ASN B 6 -7.049 -5.809 6.109 1.00 0.00 H new ATOM 0 HD22 ASN B 6 -6.664 -7.487 5.713 1.00 0.00 H new ATOM 1015 N LYS B 7 -6.530 -10.146 4.616 1.00 0.00 N ATOM 1016 CA LYS B 7 -5.165 -10.557 4.934 1.00 0.00 C ATOM 1017 C LYS B 7 -4.364 -10.651 3.638 1.00 0.00 C ATOM 1018 O LYS B 7 -3.221 -10.196 3.560 1.00 0.00 O ATOM 1019 CB LYS B 7 -5.185 -11.920 5.640 1.00 0.00 C ATOM 1020 CG LYS B 7 -3.751 -12.375 5.961 1.00 0.00 C ATOM 1021 CD LYS B 7 -3.772 -13.777 6.593 1.00 0.00 C ATOM 1022 CE LYS B 7 -4.339 -14.815 5.603 1.00 0.00 C ATOM 1023 NZ LYS B 7 -3.847 -14.537 4.220 1.00 0.00 N ATOM 0 H LYS B 7 -7.250 -10.821 4.874 1.00 0.00 H new ATOM 0 HA LYS B 7 -4.703 -9.826 5.598 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -5.767 -11.853 6.559 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -5.675 -12.659 5.006 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -3.152 -12.387 5.050 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -3.280 -11.667 6.643 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -2.762 -14.063 6.888 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -4.377 -13.763 7.499 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -4.041 -15.818 5.907 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -5.428 -14.787 5.621 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -3.878 -15.412 3.658 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -4.452 -13.818 3.774 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -2.868 -14.187 4.263 1.00 0.00 H new ATOM 1037 N GLU B 8 -5.003 -11.235 2.624 1.00 0.00 N ATOM 1038 CA GLU B 8 -4.396 -11.394 1.307 1.00 0.00 C ATOM 1039 C GLU B 8 -4.180 -10.034 0.641 1.00 0.00 C ATOM 1040 O GLU B 8 -3.210 -9.837 -0.095 1.00 0.00 O ATOM 1041 CB GLU B 8 -5.316 -12.254 0.417 1.00 0.00 C ATOM 1042 CG GLU B 8 -5.266 -13.727 0.856 1.00 0.00 C ATOM 1043 CD GLU B 8 -6.454 -14.057 1.758 1.00 0.00 C ATOM 1044 OE1 GLU B 8 -6.427 -13.671 2.914 1.00 0.00 O ATOM 1045 OE2 GLU B 8 -7.378 -14.691 1.277 1.00 0.00 O ATOM 0 H GLU B 8 -5.950 -11.608 2.694 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.429 -11.883 1.429 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -6.340 -11.885 0.478 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -5.008 -12.168 -0.625 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -5.277 -14.374 -0.021 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -4.334 -13.923 1.386 1.00 0.00 H new ATOM 1052 N ARG B 9 -5.107 -9.112 0.897 1.00 0.00 N ATOM 1053 CA ARG B 9 -5.054 -7.781 0.324 1.00 0.00 C ATOM 1054 C ARG B 9 -3.818 -7.030 0.803 1.00 0.00 C ATOM 1055 O ARG B 9 -3.107 -6.439 -0.002 1.00 0.00 O ATOM 1056 CB ARG B 9 -6.311 -6.990 0.710 1.00 0.00 C ATOM 1057 CG ARG B 9 -6.198 -5.553 0.181 1.00 0.00 C ATOM 1058 CD ARG B 9 -7.472 -4.771 0.497 1.00 0.00 C ATOM 1059 NE ARG B 9 -7.682 -4.713 1.942 1.00 0.00 N ATOM 1060 CZ ARG B 9 -8.880 -4.920 2.473 1.00 0.00 C ATOM 1061 NH1 ARG B 9 -9.516 -6.028 2.228 1.00 0.00 N ATOM 1062 NH2 ARG B 9 -9.421 -4.013 3.235 1.00 0.00 N ATOM 0 H ARG B 9 -5.910 -9.272 1.505 1.00 0.00 H new ATOM 0 HA ARG B 9 -5.004 -7.883 -0.760 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -7.197 -7.472 0.297 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -6.429 -6.981 1.794 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -5.338 -5.058 0.632 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -6.029 -5.567 -0.896 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -7.398 -3.762 0.092 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -8.328 -5.245 0.016 1.00 0.00 H new ATOM 0 HE ARG B 9 -6.892 -4.509 2.554 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -9.094 -6.737 1.628 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -10.437 -6.188 2.636 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -8.924 -3.143 3.424 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -10.342 -4.173 3.643 1.00 0.00 H new ATOM 1076 N VAL B 10 -3.567 -7.049 2.120 1.00 0.00 N ATOM 1077 CA VAL B 10 -2.406 -6.340 2.654 1.00 0.00 C ATOM 1078 C VAL B 10 -1.129 -6.885 2.021 1.00 0.00 C ATOM 1079 O VAL B 10 -0.225 -6.122 1.716 1.00 0.00 O ATOM 1080 CB VAL B 10 -2.348 -6.317 4.214 1.00 0.00 C ATOM 1081 CG1 VAL B 10 -3.697 -6.713 4.853 1.00 0.00 C ATOM 1082 CG2 VAL B 10 -1.247 -7.225 4.754 1.00 0.00 C ATOM 0 H VAL B 10 -4.136 -7.534 2.814 1.00 0.00 H new ATOM 0 HA VAL B 10 -2.507 -5.291 2.376 1.00 0.00 H new ATOM 0 HB VAL B 10 -2.123 -5.287 4.489 1.00 0.00 H new ATOM 0 HG11 VAL B 10 -3.608 -6.683 5.939 1.00 0.00 H new ATOM 0 HG12 VAL B 10 -4.470 -6.015 4.533 1.00 0.00 H new ATOM 0 HG13 VAL B 10 -3.966 -7.722 4.539 1.00 0.00 H new ATOM 0 HG21 VAL B 10 -1.240 -7.180 5.843 1.00 0.00 H new ATOM 0 HG22 VAL B 10 -1.432 -8.250 4.434 1.00 0.00 H new ATOM 0 HG23 VAL B 10 -0.282 -6.894 4.371 1.00 0.00 H new ATOM 1092 N ILE B 11 -1.064 -8.199 1.788 1.00 0.00 N ATOM 1093 CA ILE B 11 0.121 -8.769 1.147 1.00 0.00 C ATOM 1094 C ILE B 11 0.269 -8.180 -0.254 1.00 0.00 C ATOM 1095 O ILE B 11 1.381 -7.872 -0.683 1.00 0.00 O ATOM 1096 CB ILE B 11 0.049 -10.306 1.072 1.00 0.00 C ATOM 1097 CG1 ILE B 11 -0.029 -10.884 2.507 1.00 0.00 C ATOM 1098 CG2 ILE B 11 1.301 -10.840 0.345 1.00 0.00 C ATOM 1099 CD1 ILE B 11 0.739 -12.215 2.613 1.00 0.00 C ATOM 0 H ILE B 11 -1.795 -8.870 2.026 1.00 0.00 H new ATOM 0 HA ILE B 11 0.991 -8.514 1.752 1.00 0.00 H new ATOM 0 HB ILE B 11 -0.839 -10.612 0.518 1.00 0.00 H new ATOM 0 HG12 ILE B 11 0.384 -10.165 3.215 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -1.072 -11.040 2.783 1.00 0.00 H new ATOM 0 HG21 ILE B 11 1.254 -11.928 0.290 1.00 0.00 H new ATOM 0 HG22 ILE B 11 1.340 -10.427 -0.663 1.00 0.00 H new ATOM 0 HG23 ILE B 11 2.195 -10.543 0.894 1.00 0.00 H new ATOM 0 HD11 ILE B 11 0.667 -12.597 3.631 1.00 0.00 H new ATOM 0 HD12 ILE B 11 0.308 -12.940 1.922 1.00 0.00 H new ATOM 0 HD13 ILE B 11 1.787 -12.052 2.360 1.00 0.00 H new ATOM 1111 N ALA B 12 -0.862 -8.004 -0.952 1.00 0.00 N ATOM 1112 CA ALA B 12 -0.847 -7.428 -2.287 1.00 0.00 C ATOM 1113 C ALA B 12 -0.409 -5.998 -2.215 1.00 0.00 C ATOM 1114 O ALA B 12 0.452 -5.597 -2.979 1.00 0.00 O ATOM 1115 CB ALA B 12 -2.236 -7.501 -2.908 1.00 0.00 C ATOM 0 H ALA B 12 -1.790 -8.253 -0.609 1.00 0.00 H new ATOM 0 HA ALA B 12 -0.150 -7.994 -2.905 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -2.211 -7.066 -3.907 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -2.551 -8.542 -2.973 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -2.941 -6.946 -2.289 1.00 0.00 H new ATOM 1121 N ILE B 13 -0.970 -5.254 -1.262 1.00 0.00 N ATOM 1122 CA ILE B 13 -0.599 -3.860 -1.078 1.00 0.00 C ATOM 1123 C ILE B 13 0.891 -3.822 -0.844 1.00 0.00 C ATOM 1124 O ILE B 13 1.606 -3.082 -1.493 1.00 0.00 O ATOM 1125 CB ILE B 13 -1.370 -3.280 0.126 1.00 0.00 C ATOM 1126 CG1 ILE B 13 -2.855 -3.329 -0.193 1.00 0.00 C ATOM 1127 CG2 ILE B 13 -0.991 -1.822 0.386 1.00 0.00 C ATOM 1128 CD1 ILE B 13 -3.689 -3.048 1.047 1.00 0.00 C ATOM 0 H ILE B 13 -1.678 -5.595 -0.612 1.00 0.00 H new ATOM 0 HA ILE B 13 -0.850 -3.258 -1.951 1.00 0.00 H new ATOM 0 HB ILE B 13 -1.123 -3.868 1.010 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -3.089 -2.597 -0.966 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -3.112 -4.309 -0.594 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -1.553 -1.447 1.241 1.00 0.00 H new ATOM 0 HG22 ILE B 13 0.076 -1.756 0.596 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -1.225 -1.223 -0.494 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -4.748 -3.089 0.791 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -3.471 -3.796 1.809 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -3.447 -2.057 1.431 1.00 0.00 H new ATOM 1140 N GLY B 14 1.346 -4.691 0.039 1.00 0.00 N ATOM 1141 CA GLY B 14 2.765 -4.812 0.333 1.00 0.00 C ATOM 1142 C GLY B 14 3.544 -5.163 -0.919 1.00 0.00 C ATOM 1143 O GLY B 14 4.627 -4.637 -1.149 1.00 0.00 O ATOM 0 H GLY B 14 0.751 -5.328 0.569 1.00 0.00 H new ATOM 0 HA2 GLY B 14 3.137 -3.875 0.748 1.00 0.00 H new ATOM 0 HA3 GLY B 14 2.920 -5.580 1.091 1.00 0.00 H new ATOM 1147 N GLU B 15 2.982 -6.054 -1.726 1.00 0.00 N ATOM 1148 CA GLU B 15 3.633 -6.479 -2.944 1.00 0.00 C ATOM 1149 C GLU B 15 3.762 -5.301 -3.881 1.00 0.00 C ATOM 1150 O GLU B 15 4.812 -5.111 -4.484 1.00 0.00 O ATOM 1151 CB GLU B 15 2.831 -7.604 -3.586 1.00 0.00 C ATOM 1152 CG GLU B 15 3.698 -8.376 -4.606 1.00 0.00 C ATOM 1153 CD GLU B 15 4.876 -9.072 -3.912 1.00 0.00 C ATOM 1154 OE1 GLU B 15 4.698 -9.550 -2.799 1.00 0.00 O ATOM 1155 OE2 GLU B 15 5.935 -9.132 -4.513 1.00 0.00 O ATOM 0 H GLU B 15 2.077 -6.492 -1.553 1.00 0.00 H new ATOM 0 HA GLU B 15 4.632 -6.855 -2.721 1.00 0.00 H new ATOM 0 HB2 GLU B 15 2.471 -8.287 -2.816 1.00 0.00 H new ATOM 0 HB3 GLU B 15 1.953 -7.193 -4.084 1.00 0.00 H new ATOM 0 HG2 GLU B 15 3.086 -9.116 -5.122 1.00 0.00 H new ATOM 0 HG3 GLU B 15 4.073 -7.688 -5.364 1.00 0.00 H new ATOM 1162 N ILE B 16 2.703 -4.486 -3.978 1.00 0.00 N ATOM 1163 CA ILE B 16 2.796 -3.301 -4.858 1.00 0.00 C ATOM 1164 C ILE B 16 3.977 -2.448 -4.387 1.00 0.00 C ATOM 1165 O ILE B 16 4.837 -2.043 -5.168 1.00 0.00 O ATOM 1166 CB ILE B 16 1.563 -2.350 -4.799 1.00 0.00 C ATOM 1167 CG1 ILE B 16 0.227 -3.078 -4.630 1.00 0.00 C ATOM 1168 CG2 ILE B 16 1.501 -1.523 -6.083 1.00 0.00 C ATOM 1169 CD1 ILE B 16 -0.114 -3.865 -5.884 1.00 0.00 C ATOM 0 H ILE B 16 1.816 -4.608 -3.490 1.00 0.00 H new ATOM 0 HA ILE B 16 2.885 -3.695 -5.870 1.00 0.00 H new ATOM 0 HB ILE B 16 1.703 -1.724 -3.918 1.00 0.00 H new ATOM 0 HG12 ILE B 16 0.279 -3.751 -3.774 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -0.563 -2.357 -4.421 1.00 0.00 H new ATOM 0 HG21 ILE B 16 0.639 -0.856 -6.045 1.00 0.00 H new ATOM 0 HG22 ILE B 16 2.412 -0.933 -6.180 1.00 0.00 H new ATOM 0 HG23 ILE B 16 1.407 -2.189 -6.941 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -1.067 -4.376 -5.745 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -0.187 -3.184 -6.732 1.00 0.00 H new ATOM 0 HD13 ILE B 16 0.667 -4.600 -6.076 1.00 0.00 H new ATOM 1181 N MET B 17 3.971 -2.186 -3.085 1.00 0.00 N ATOM 1182 CA MET B 17 4.993 -1.383 -2.422 1.00 0.00 C ATOM 1183 C MET B 17 6.382 -2.020 -2.574 1.00 0.00 C ATOM 1184 O MET B 17 7.381 -1.307 -2.688 1.00 0.00 O ATOM 1185 CB MET B 17 4.593 -1.228 -0.960 1.00 0.00 C ATOM 1186 CG MET B 17 3.154 -0.692 -0.891 1.00 0.00 C ATOM 1187 SD MET B 17 3.125 1.025 -1.401 1.00 0.00 S ATOM 1188 CE MET B 17 3.940 1.646 0.067 1.00 0.00 C ATOM 0 H MET B 17 3.248 -2.529 -2.452 1.00 0.00 H new ATOM 0 HA MET B 17 5.060 -0.399 -2.885 1.00 0.00 H new ATOM 0 HB2 MET B 17 4.663 -2.187 -0.446 1.00 0.00 H new ATOM 0 HB3 MET B 17 5.274 -0.545 -0.453 1.00 0.00 H new ATOM 0 HG2 MET B 17 2.504 -1.284 -1.535 1.00 0.00 H new ATOM 0 HG3 MET B 17 2.769 -0.787 0.124 1.00 0.00 H new ATOM 0 HE1 MET B 17 3.324 2.419 0.526 1.00 0.00 H new ATOM 0 HE2 MET B 17 4.086 0.830 0.775 1.00 0.00 H new ATOM 0 HE3 MET B 17 4.908 2.068 -0.205 1.00 0.00 H new ATOM 1198 N ARG B 18 6.435 -3.362 -2.608 1.00 0.00 N ATOM 1199 CA ARG B 18 7.704 -4.078 -2.786 1.00 0.00 C ATOM 1200 C ARG B 18 8.289 -3.792 -4.164 1.00 0.00 C ATOM 1201 O ARG B 18 9.504 -3.659 -4.315 1.00 0.00 O ATOM 1202 CB ARG B 18 7.499 -5.583 -2.659 1.00 0.00 C ATOM 1203 CG ARG B 18 7.201 -5.974 -1.209 1.00 0.00 C ATOM 1204 CD ARG B 18 8.473 -6.466 -0.509 1.00 0.00 C ATOM 1205 NE ARG B 18 8.869 -7.780 -1.016 1.00 0.00 N ATOM 1206 CZ ARG B 18 8.066 -8.836 -0.909 1.00 0.00 C ATOM 1207 NH1 ARG B 18 8.007 -9.504 0.208 1.00 0.00 N ATOM 1208 NH2 ARG B 18 7.338 -9.200 -1.922 1.00 0.00 N ATOM 0 H ARG B 18 5.619 -3.967 -2.515 1.00 0.00 H new ATOM 0 HA ARG B 18 8.387 -3.732 -2.010 1.00 0.00 H new ATOM 0 HB2 ARG B 18 6.676 -5.897 -3.301 1.00 0.00 H new ATOM 0 HB3 ARG B 18 8.391 -6.106 -3.005 1.00 0.00 H new ATOM 0 HG2 ARG B 18 6.793 -5.117 -0.673 1.00 0.00 H new ATOM 0 HG3 ARG B 18 6.442 -6.756 -1.186 1.00 0.00 H new ATOM 0 HD2 ARG B 18 9.281 -5.751 -0.668 1.00 0.00 H new ATOM 0 HD3 ARG B 18 8.304 -6.522 0.566 1.00 0.00 H new ATOM 0 HE ARG B 18 9.780 -7.889 -1.461 1.00 0.00 H new ATOM 0 HH11 ARG B 18 8.577 -9.218 1.004 1.00 0.00 H new ATOM 0 HH12 ARG B 18 7.391 -10.313 0.287 1.00 0.00 H new ATOM 0 HH21 ARG B 18 7.383 -8.677 -2.796 1.00 0.00 H new ATOM 0 HH22 ARG B 18 6.722 -10.009 -1.843 1.00 0.00 H new ATOM 1222 N LEU B 19 7.406 -3.714 -5.166 1.00 0.00 N ATOM 1223 CA LEU B 19 7.825 -3.460 -6.541 1.00 0.00 C ATOM 1224 C LEU B 19 8.575 -2.139 -6.636 1.00 0.00 C ATOM 1225 O LEU B 19 7.988 -1.082 -6.426 1.00 0.00 O ATOM 1226 CB LEU B 19 6.606 -3.408 -7.469 1.00 0.00 C ATOM 1227 CG LEU B 19 5.861 -4.745 -7.494 1.00 0.00 C ATOM 1228 CD1 LEU B 19 4.540 -4.576 -8.239 1.00 0.00 C ATOM 1229 CD2 LEU B 19 6.691 -5.793 -8.209 1.00 0.00 C ATOM 0 H LEU B 19 6.399 -3.824 -5.047 1.00 0.00 H new ATOM 0 HA LEU B 19 8.483 -4.273 -6.847 1.00 0.00 H new ATOM 0 HB2 LEU B 19 5.930 -2.620 -7.139 1.00 0.00 H new ATOM 0 HB3 LEU B 19 6.927 -3.150 -8.478 1.00 0.00 H new ATOM 0 HG LEU B 19 5.678 -5.064 -6.468 1.00 0.00 H new ATOM 0 HD11 LEU B 19 4.008 -5.527 -8.258 1.00 0.00 H new ATOM 0 HD12 LEU B 19 3.929 -3.829 -7.732 1.00 0.00 H new ATOM 0 HD13 LEU B 19 4.737 -4.251 -9.260 1.00 0.00 H new ATOM 0 HD21 LEU B 19 6.151 -6.740 -8.220 1.00 0.00 H new ATOM 0 HD22 LEU B 19 6.880 -5.471 -9.233 1.00 0.00 H new ATOM 0 HD23 LEU B 19 7.640 -5.923 -7.688 1.00 0.00 H new ATOM 1241 N PRO B 20 9.854 -2.176 -6.938 1.00 0.00 N ATOM 1242 CA PRO B 20 10.686 -0.950 -7.053 1.00 0.00 C ATOM 1243 C PRO B 20 10.496 -0.202 -8.377 1.00 0.00 C ATOM 1244 O PRO B 20 10.995 0.916 -8.526 1.00 0.00 O ATOM 1245 CB PRO B 20 12.128 -1.471 -6.927 1.00 0.00 C ATOM 1246 CG PRO B 20 12.050 -2.950 -6.744 1.00 0.00 C ATOM 1247 CD PRO B 20 10.668 -3.374 -7.203 1.00 0.00 C ATOM 0 HA PRO B 20 10.412 -0.220 -6.291 1.00 0.00 H new ATOM 0 HB2 PRO B 20 12.705 -1.224 -7.818 1.00 0.00 H new ATOM 0 HB3 PRO B 20 12.633 -1.005 -6.081 1.00 0.00 H new ATOM 0 HG2 PRO B 20 12.822 -3.453 -7.326 1.00 0.00 H new ATOM 0 HG3 PRO B 20 12.211 -3.220 -5.700 1.00 0.00 H new ATOM 0 HD2 PRO B 20 10.658 -3.644 -8.259 1.00 0.00 H new ATOM 0 HD3 PRO B 20 10.306 -4.240 -6.649 1.00 0.00 H new ATOM 1255 N ASN B 21 9.800 -0.817 -9.343 1.00 0.00 N ATOM 1256 CA ASN B 21 9.599 -0.179 -10.645 1.00 0.00 C ATOM 1257 C ASN B 21 8.270 0.575 -10.705 1.00 0.00 C ATOM 1258 O ASN B 21 8.094 1.442 -11.563 1.00 0.00 O ATOM 1259 CB ASN B 21 9.658 -1.223 -11.762 1.00 0.00 C ATOM 1260 CG ASN B 21 10.959 -2.019 -11.685 1.00 0.00 C ATOM 1261 OD1 ASN B 21 12.009 -1.477 -11.342 1.00 0.00 O ATOM 1262 ND2 ASN B 21 10.951 -3.283 -11.999 1.00 0.00 N ATOM 0 H ASN B 21 9.375 -1.739 -9.248 1.00 0.00 H new ATOM 0 HA ASN B 21 10.402 0.545 -10.784 1.00 0.00 H new ATOM 0 HB2 ASN B 21 8.807 -1.899 -11.681 1.00 0.00 H new ATOM 0 HB3 ASN B 21 9.583 -0.731 -12.732 1.00 0.00 H new ATOM 0 HD21 ASN B 21 11.815 -3.824 -11.961 1.00 0.00 H new ATOM 0 HD22 ASN B 21 10.081 -3.732 -12.283 1.00 0.00 H new ATOM 1269 N LEU B 22 7.331 0.255 -9.799 1.00 0.00 N ATOM 1270 CA LEU B 22 6.036 0.943 -9.801 1.00 0.00 C ATOM 1271 C LEU B 22 6.166 2.384 -9.341 1.00 0.00 C ATOM 1272 O LEU B 22 7.079 2.746 -8.596 1.00 0.00 O ATOM 1273 CB LEU B 22 5.000 0.247 -8.894 1.00 0.00 C ATOM 1274 CG LEU B 22 4.672 -1.166 -9.375 1.00 0.00 C ATOM 1275 CD1 LEU B 22 3.381 -1.652 -8.709 1.00 0.00 C ATOM 1276 CD2 LEU B 22 4.474 -1.154 -10.870 1.00 0.00 C ATOM 0 H LEU B 22 7.441 -0.456 -9.076 1.00 0.00 H new ATOM 0 HA LEU B 22 5.692 0.910 -10.835 1.00 0.00 H new ATOM 0 HB2 LEU B 22 5.383 0.203 -7.875 1.00 0.00 H new ATOM 0 HB3 LEU B 22 4.087 0.841 -8.866 1.00 0.00 H new ATOM 0 HG LEU B 22 5.494 -1.832 -9.113 1.00 0.00 H new ATOM 0 HD11 LEU B 22 3.150 -2.660 -9.054 1.00 0.00 H new ATOM 0 HD12 LEU B 22 3.511 -1.660 -7.627 1.00 0.00 H new ATOM 0 HD13 LEU B 22 2.562 -0.982 -8.971 1.00 0.00 H new ATOM 0 HD21 LEU B 22 4.240 -2.161 -11.214 1.00 0.00 H new ATOM 0 HD22 LEU B 22 3.652 -0.484 -11.123 1.00 0.00 H new ATOM 0 HD23 LEU B 22 5.387 -0.808 -11.355 1.00 0.00 H new ATOM 1288 N ASN B 23 5.210 3.188 -9.783 1.00 0.00 N ATOM 1289 CA ASN B 23 5.142 4.591 -9.426 1.00 0.00 C ATOM 1290 C ASN B 23 4.318 4.711 -8.146 1.00 0.00 C ATOM 1291 O ASN B 23 3.494 3.841 -7.861 1.00 0.00 O ATOM 1292 CB ASN B 23 4.493 5.337 -10.613 1.00 0.00 C ATOM 1293 CG ASN B 23 3.576 6.471 -10.191 1.00 0.00 C ATOM 1294 OD1 ASN B 23 2.419 6.509 -10.591 1.00 0.00 O ATOM 1295 ND2 ASN B 23 4.028 7.411 -9.434 1.00 0.00 N ATOM 0 H ASN B 23 4.459 2.881 -10.401 1.00 0.00 H new ATOM 0 HA ASN B 23 6.123 5.028 -9.236 1.00 0.00 H new ATOM 0 HB2 ASN B 23 5.279 5.736 -11.254 1.00 0.00 H new ATOM 0 HB3 ASN B 23 3.925 4.625 -11.212 1.00 0.00 H new ATOM 0 HD21 ASN B 23 3.422 8.187 -9.168 1.00 0.00 H new ATOM 0 HD22 ASN B 23 4.992 7.379 -9.101 1.00 0.00 H new ATOM 1302 N SER B 24 4.526 5.780 -7.383 1.00 0.00 N ATOM 1303 CA SER B 24 3.774 5.966 -6.145 1.00 0.00 C ATOM 1304 C SER B 24 2.282 6.018 -6.459 1.00 0.00 C ATOM 1305 O SER B 24 1.468 5.398 -5.773 1.00 0.00 O ATOM 1306 CB SER B 24 4.220 7.256 -5.454 1.00 0.00 C ATOM 1307 OG SER B 24 3.895 8.369 -6.279 1.00 0.00 O ATOM 0 H SER B 24 5.197 6.519 -7.594 1.00 0.00 H new ATOM 0 HA SER B 24 3.965 5.129 -5.473 1.00 0.00 H new ATOM 0 HB2 SER B 24 3.729 7.351 -4.485 1.00 0.00 H new ATOM 0 HB3 SER B 24 5.293 7.229 -5.266 1.00 0.00 H new ATOM 0 HG SER B 24 4.625 9.022 -6.249 1.00 0.00 H new ATOM 1313 N LEU B 25 1.947 6.738 -7.528 1.00 0.00 N ATOM 1314 CA LEU B 25 0.571 6.860 -7.980 1.00 0.00 C ATOM 1315 C LEU B 25 0.071 5.544 -8.566 1.00 0.00 C ATOM 1316 O LEU B 25 -1.088 5.176 -8.367 1.00 0.00 O ATOM 1317 CB LEU B 25 0.443 7.986 -9.021 1.00 0.00 C ATOM 1318 CG LEU B 25 -0.109 9.239 -8.369 1.00 0.00 C ATOM 1319 CD1 LEU B 25 -0.287 10.343 -9.420 1.00 0.00 C ATOM 1320 CD2 LEU B 25 -1.450 8.897 -7.732 1.00 0.00 C ATOM 0 H LEU B 25 2.620 7.249 -8.099 1.00 0.00 H new ATOM 0 HA LEU B 25 -0.046 7.108 -7.116 1.00 0.00 H new ATOM 0 HB2 LEU B 25 1.417 8.196 -9.463 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -0.213 7.669 -9.832 1.00 0.00 H new ATOM 0 HG LEU B 25 0.582 9.601 -7.608 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -0.684 11.239 -8.943 1.00 0.00 H new ATOM 0 HD12 LEU B 25 0.677 10.571 -9.875 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -0.981 10.004 -10.190 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -1.864 9.786 -7.257 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -2.137 8.542 -8.500 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -1.309 8.118 -6.983 1.00 0.00 H new ATOM 1332 N GLN B 26 0.953 4.828 -9.268 1.00 0.00 N ATOM 1333 CA GLN B 26 0.583 3.544 -9.849 1.00 0.00 C ATOM 1334 C GLN B 26 0.246 2.580 -8.735 1.00 0.00 C ATOM 1335 O GLN B 26 -0.689 1.788 -8.832 1.00 0.00 O ATOM 1336 CB GLN B 26 1.748 2.954 -10.640 1.00 0.00 C ATOM 1337 CG GLN B 26 1.861 3.591 -12.026 1.00 0.00 C ATOM 1338 CD GLN B 26 3.045 2.983 -12.770 1.00 0.00 C ATOM 1339 OE1 GLN B 26 3.272 3.294 -13.938 1.00 0.00 O ATOM 1340 NE2 GLN B 26 3.818 2.128 -12.157 1.00 0.00 N ATOM 0 H GLN B 26 1.916 5.115 -9.444 1.00 0.00 H new ATOM 0 HA GLN B 26 -0.269 3.698 -10.512 1.00 0.00 H new ATOM 0 HB2 GLN B 26 2.677 3.107 -10.091 1.00 0.00 H new ATOM 0 HB3 GLN B 26 1.612 1.877 -10.743 1.00 0.00 H new ATOM 0 HG2 GLN B 26 0.942 3.428 -12.589 1.00 0.00 H new ATOM 0 HG3 GLN B 26 1.991 4.669 -11.933 1.00 0.00 H new ATOM 0 HE21 GLN B 26 3.628 1.872 -11.188 1.00 0.00 H new ATOM 0 HE22 GLN B 26 4.612 1.716 -12.647 1.00 0.00 H new ATOM 1349 N VAL B 27 1.024 2.677 -7.669 1.00 0.00 N ATOM 1350 CA VAL B 27 0.828 1.835 -6.510 1.00 0.00 C ATOM 1351 C VAL B 27 -0.510 2.147 -5.896 1.00 0.00 C ATOM 1352 O VAL B 27 -1.284 1.245 -5.607 1.00 0.00 O ATOM 1353 CB VAL B 27 1.982 2.027 -5.524 1.00 0.00 C ATOM 1354 CG1 VAL B 27 1.695 1.297 -4.202 1.00 0.00 C ATOM 1355 CG2 VAL B 27 3.247 1.453 -6.171 1.00 0.00 C ATOM 0 H VAL B 27 1.799 3.335 -7.587 1.00 0.00 H new ATOM 0 HA VAL B 27 0.827 0.784 -6.798 1.00 0.00 H new ATOM 0 HB VAL B 27 2.107 3.086 -5.299 1.00 0.00 H new ATOM 0 HG11 VAL B 27 2.528 1.447 -3.515 1.00 0.00 H new ATOM 0 HG12 VAL B 27 0.783 1.695 -3.757 1.00 0.00 H new ATOM 0 HG13 VAL B 27 1.570 0.231 -4.394 1.00 0.00 H new ATOM 0 HG21 VAL B 27 4.091 1.575 -5.491 1.00 0.00 H new ATOM 0 HG22 VAL B 27 3.100 0.394 -6.381 1.00 0.00 H new ATOM 0 HG23 VAL B 27 3.452 1.982 -7.102 1.00 0.00 H new ATOM 1365 N VAL B 28 -0.800 3.430 -5.768 1.00 0.00 N ATOM 1366 CA VAL B 28 -2.077 3.859 -5.257 1.00 0.00 C ATOM 1367 C VAL B 28 -3.171 3.328 -6.186 1.00 0.00 C ATOM 1368 O VAL B 28 -4.257 2.977 -5.740 1.00 0.00 O ATOM 1369 CB VAL B 28 -2.127 5.391 -5.178 1.00 0.00 C ATOM 1370 CG1 VAL B 28 -3.499 5.814 -4.654 1.00 0.00 C ATOM 1371 CG2 VAL B 28 -1.020 5.906 -4.234 1.00 0.00 C ATOM 0 H VAL B 28 -0.164 4.189 -6.013 1.00 0.00 H new ATOM 0 HA VAL B 28 -2.230 3.468 -4.251 1.00 0.00 H new ATOM 0 HB VAL B 28 -1.965 5.816 -6.168 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -3.546 6.901 -4.594 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -4.274 5.454 -5.331 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -3.657 5.388 -3.663 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -1.062 6.994 -4.183 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -1.169 5.490 -3.237 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -0.046 5.598 -4.614 1.00 0.00 H new ATOM 1381 N ALA B 29 -2.858 3.260 -7.484 1.00 0.00 N ATOM 1382 CA ALA B 29 -3.797 2.757 -8.477 1.00 0.00 C ATOM 1383 C ALA B 29 -4.174 1.324 -8.137 1.00 0.00 C ATOM 1384 O ALA B 29 -5.352 0.951 -8.161 1.00 0.00 O ATOM 1385 CB ALA B 29 -3.145 2.799 -9.868 1.00 0.00 C ATOM 0 H ALA B 29 -1.958 3.549 -7.867 1.00 0.00 H new ATOM 0 HA ALA B 29 -4.692 3.378 -8.477 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -3.848 2.422 -10.611 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -2.875 3.826 -10.112 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -2.249 2.178 -9.869 1.00 0.00 H new ATOM 1391 N PHE B 30 -3.158 0.532 -7.801 1.00 0.00 N ATOM 1392 CA PHE B 30 -3.359 -0.838 -7.446 1.00 0.00 C ATOM 1393 C PHE B 30 -4.000 -0.940 -6.061 1.00 0.00 C ATOM 1394 O PHE B 30 -4.952 -1.687 -5.881 1.00 0.00 O ATOM 1395 CB PHE B 30 -2.002 -1.558 -7.519 1.00 0.00 C ATOM 1396 CG PHE B 30 -1.506 -1.536 -8.967 1.00 0.00 C ATOM 1397 CD1 PHE B 30 -2.300 -2.063 -10.012 1.00 0.00 C ATOM 1398 CD2 PHE B 30 -0.265 -0.938 -9.284 1.00 0.00 C ATOM 1399 CE1 PHE B 30 -1.855 -1.985 -11.330 1.00 0.00 C ATOM 1400 CE2 PHE B 30 0.165 -0.878 -10.606 1.00 0.00 C ATOM 1401 CZ PHE B 30 -0.630 -1.396 -11.628 1.00 0.00 C ATOM 0 H PHE B 30 -2.185 0.836 -7.772 1.00 0.00 H new ATOM 0 HA PHE B 30 -4.047 -1.320 -8.140 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -1.280 -1.068 -6.866 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -2.101 -2.586 -7.170 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -3.250 -2.525 -9.789 1.00 0.00 H new ATOM 0 HD2 PHE B 30 0.351 -0.527 -8.498 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -2.465 -2.385 -12.126 1.00 0.00 H new ATOM 0 HE2 PHE B 30 1.118 -0.428 -10.842 1.00 0.00 H new ATOM 0 HZ PHE B 30 -0.294 -1.340 -12.653 1.00 0.00 H new ATOM 1411 N ILE B 31 -3.512 -0.150 -5.099 1.00 0.00 N ATOM 1412 CA ILE B 31 -4.077 -0.162 -3.746 1.00 0.00 C ATOM 1413 C ILE B 31 -5.561 0.187 -3.800 1.00 0.00 C ATOM 1414 O ILE B 31 -6.400 -0.506 -3.226 1.00 0.00 O ATOM 1415 CB ILE B 31 -3.341 0.863 -2.858 1.00 0.00 C ATOM 1416 CG1 ILE B 31 -1.865 0.464 -2.695 1.00 0.00 C ATOM 1417 CG2 ILE B 31 -3.993 0.919 -1.470 1.00 0.00 C ATOM 1418 CD1 ILE B 31 -1.088 1.628 -2.063 1.00 0.00 C ATOM 0 H ILE B 31 -2.736 0.499 -5.229 1.00 0.00 H new ATOM 0 HA ILE B 31 -3.955 -1.159 -3.323 1.00 0.00 H new ATOM 0 HB ILE B 31 -3.405 1.840 -3.337 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -1.784 -0.424 -2.068 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -1.436 0.210 -3.665 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -3.467 1.645 -0.850 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -5.037 1.216 -1.570 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -3.939 -0.064 -1.003 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -0.041 1.346 -1.947 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.159 2.505 -2.707 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.512 1.860 -1.086 1.00 0.00 H new ATOM 1430 N ASN B 32 -5.868 1.260 -4.510 1.00 0.00 N ATOM 1431 CA ASN B 32 -7.237 1.719 -4.665 1.00 0.00 C ATOM 1432 C ASN B 32 -8.127 0.654 -5.312 1.00 0.00 C ATOM 1433 O ASN B 32 -9.325 0.612 -5.041 1.00 0.00 O ATOM 1434 CB ASN B 32 -7.245 2.988 -5.518 1.00 0.00 C ATOM 1435 CG ASN B 32 -8.621 3.645 -5.509 1.00 0.00 C ATOM 1436 OD1 ASN B 32 -9.411 3.458 -4.582 1.00 0.00 O ATOM 1437 ND2 ASN B 32 -8.945 4.413 -6.501 1.00 0.00 N ATOM 0 H ASN B 32 -5.178 1.835 -4.993 1.00 0.00 H new ATOM 0 HA ASN B 32 -7.641 1.925 -3.674 1.00 0.00 H new ATOM 0 HB2 ASN B 32 -6.501 3.689 -5.140 1.00 0.00 H new ATOM 0 HB3 ASN B 32 -6.962 2.744 -6.542 1.00 0.00 H new ATOM 0 HD21 ASN B 32 -9.858 4.867 -6.518 1.00 0.00 H new ATOM 0 HD22 ASN B 32 -8.287 4.564 -7.265 1.00 0.00 H new ATOM 1444 N SER B 33 -7.549 -0.209 -6.161 1.00 0.00 N ATOM 1445 CA SER B 33 -8.329 -1.246 -6.807 1.00 0.00 C ATOM 1446 C SER B 33 -8.684 -2.326 -5.798 1.00 0.00 C ATOM 1447 O SER B 33 -9.750 -2.935 -5.881 1.00 0.00 O ATOM 1448 CB SER B 33 -7.584 -1.793 -8.004 1.00 0.00 C ATOM 1449 OG SER B 33 -7.940 -1.050 -9.162 1.00 0.00 O ATOM 0 H SER B 33 -6.559 -0.201 -6.406 1.00 0.00 H new ATOM 0 HA SER B 33 -9.264 -0.828 -7.180 1.00 0.00 H new ATOM 0 HB2 SER B 33 -6.509 -1.732 -7.836 1.00 0.00 H new ATOM 0 HB3 SER B 33 -7.825 -2.846 -8.146 1.00 0.00 H new ATOM 0 HG SER B 33 -7.457 -1.402 -9.938 1.00 0.00 H new ATOM 1455 N LEU B 34 -7.813 -2.517 -4.804 1.00 0.00 N ATOM 1456 CA LEU B 34 -8.101 -3.474 -3.739 1.00 0.00 C ATOM 1457 C LEU B 34 -9.328 -2.937 -3.023 1.00 0.00 C ATOM 1458 O LEU B 34 -10.272 -3.660 -2.710 1.00 0.00 O ATOM 1459 CB LEU B 34 -6.929 -3.576 -2.753 1.00 0.00 C ATOM 1460 CG LEU B 34 -5.593 -3.646 -3.509 1.00 0.00 C ATOM 1461 CD1 LEU B 34 -4.439 -3.734 -2.537 1.00 0.00 C ATOM 1462 CD2 LEU B 34 -5.561 -4.865 -4.394 1.00 0.00 C ATOM 0 H LEU B 34 -6.920 -2.031 -4.716 1.00 0.00 H new ATOM 0 HA LEU B 34 -8.263 -4.472 -4.146 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.931 -2.714 -2.086 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -7.047 -4.462 -2.129 1.00 0.00 H new ATOM 0 HG LEU B 34 -5.500 -2.742 -4.111 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -3.501 -3.783 -3.090 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -4.436 -2.853 -1.895 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -4.546 -4.629 -1.925 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -4.610 -4.904 -4.925 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -5.673 -5.761 -3.783 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -6.377 -4.813 -5.115 1.00 0.00 H new ATOM 1474 N ARG B 35 -9.287 -1.621 -2.832 1.00 0.00 N ATOM 1475 CA ARG B 35 -10.385 -0.868 -2.219 1.00 0.00 C ATOM 1476 C ARG B 35 -11.643 -1.042 -3.062 1.00 0.00 C ATOM 1477 O ARG B 35 -12.733 -1.279 -2.537 1.00 0.00 O ATOM 1478 CB ARG B 35 -10.002 0.622 -2.183 1.00 0.00 C ATOM 1479 CG ARG B 35 -10.156 1.205 -0.771 1.00 0.00 C ATOM 1480 CD ARG B 35 -8.914 2.030 -0.414 1.00 0.00 C ATOM 1481 NE ARG B 35 -8.687 2.005 1.024 1.00 0.00 N ATOM 1482 CZ ARG B 35 -9.446 2.715 1.848 1.00 0.00 C ATOM 1483 NH1 ARG B 35 -10.539 2.199 2.330 1.00 0.00 N ATOM 1484 NH2 ARG B 35 -9.098 3.926 2.174 1.00 0.00 N ATOM 0 H ARG B 35 -8.490 -1.042 -3.098 1.00 0.00 H new ATOM 0 HA ARG B 35 -10.569 -1.231 -1.208 1.00 0.00 H new ATOM 0 HB2 ARG B 35 -8.972 0.743 -2.518 1.00 0.00 H new ATOM 0 HB3 ARG B 35 -10.631 1.178 -2.879 1.00 0.00 H new ATOM 0 HG2 ARG B 35 -11.047 1.831 -0.721 1.00 0.00 H new ATOM 0 HG3 ARG B 35 -10.290 0.401 -0.048 1.00 0.00 H new ATOM 0 HD2 ARG B 35 -8.043 1.631 -0.934 1.00 0.00 H new ATOM 0 HD3 ARG B 35 -9.043 3.059 -0.751 1.00 0.00 H new ATOM 0 HE ARG B 35 -7.933 1.433 1.403 1.00 0.00 H new ATOM 0 HH11 ARG B 35 -10.811 1.250 2.074 1.00 0.00 H new ATOM 0 HH12 ARG B 35 -11.124 2.744 2.964 1.00 0.00 H new ATOM 0 HH21 ARG B 35 -8.241 4.330 1.796 1.00 0.00 H new ATOM 0 HH22 ARG B 35 -9.682 4.471 2.808 1.00 0.00 H new ATOM 1498 N ASP B 36 -11.458 -0.935 -4.376 1.00 0.00 N ATOM 1499 CA ASP B 36 -12.548 -1.087 -5.329 1.00 0.00 C ATOM 1500 C ASP B 36 -13.139 -2.493 -5.222 1.00 0.00 C ATOM 1501 O ASP B 36 -14.353 -2.675 -5.313 1.00 0.00 O ATOM 1502 CB ASP B 36 -12.016 -0.830 -6.752 1.00 0.00 C ATOM 1503 CG ASP B 36 -11.567 0.634 -6.926 1.00 0.00 C ATOM 1504 OD1 ASP B 36 -11.931 1.469 -6.109 1.00 0.00 O ATOM 1505 OD2 ASP B 36 -10.858 0.898 -7.883 1.00 0.00 O ATOM 0 H ASP B 36 -10.553 -0.742 -4.805 1.00 0.00 H new ATOM 0 HA ASP B 36 -13.335 -0.366 -5.108 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -11.178 -1.496 -6.955 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -12.792 -1.064 -7.481 1.00 0.00 H new ATOM 1510 N ASP B 37 -12.258 -3.473 -5.004 1.00 0.00 N ATOM 1511 CA ASP B 37 -12.661 -4.873 -4.857 1.00 0.00 C ATOM 1512 C ASP B 37 -11.478 -5.708 -4.373 1.00 0.00 C ATOM 1513 O ASP B 37 -10.545 -5.978 -5.134 1.00 0.00 O ATOM 1514 CB ASP B 37 -13.184 -5.437 -6.190 1.00 0.00 C ATOM 1515 CG ASP B 37 -14.713 -5.458 -6.203 1.00 0.00 C ATOM 1516 OD1 ASP B 37 -15.283 -6.206 -5.424 1.00 0.00 O ATOM 1517 OD2 ASP B 37 -15.291 -4.734 -6.997 1.00 0.00 O ATOM 0 H ASP B 37 -11.253 -3.320 -4.925 1.00 0.00 H new ATOM 0 HA ASP B 37 -13.465 -4.921 -4.122 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -12.816 -4.830 -7.017 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -12.800 -6.446 -6.340 1.00 0.00 H new ATOM 1522 N PRO B 38 -11.499 -6.125 -3.127 1.00 0.00 N ATOM 1523 CA PRO B 38 -10.411 -6.951 -2.543 1.00 0.00 C ATOM 1524 C PRO B 38 -10.408 -8.380 -3.086 1.00 0.00 C ATOM 1525 O PRO B 38 -9.477 -9.148 -2.828 1.00 0.00 O ATOM 1526 CB PRO B 38 -10.673 -6.937 -1.036 1.00 0.00 C ATOM 1527 CG PRO B 38 -11.883 -6.090 -0.796 1.00 0.00 C ATOM 1528 CD PRO B 38 -12.559 -5.858 -2.139 1.00 0.00 C ATOM 0 HA PRO B 38 -9.431 -6.549 -2.800 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -10.835 -7.949 -0.666 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -9.812 -6.536 -0.501 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -12.565 -6.585 -0.105 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -11.601 -5.141 -0.341 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -13.410 -6.525 -2.277 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -12.936 -4.839 -2.225 1.00 0.00 H new ATOM 1536 N SER B 39 -11.453 -8.724 -3.840 1.00 0.00 N ATOM 1537 CA SER B 39 -11.575 -10.051 -4.422 1.00 0.00 C ATOM 1538 C SER B 39 -10.451 -10.288 -5.417 1.00 0.00 C ATOM 1539 O SER B 39 -9.872 -11.375 -5.461 1.00 0.00 O ATOM 1540 CB SER B 39 -12.929 -10.190 -5.123 1.00 0.00 C ATOM 1541 OG SER B 39 -13.097 -11.532 -5.561 1.00 0.00 O ATOM 0 H SER B 39 -12.226 -8.096 -4.059 1.00 0.00 H new ATOM 0 HA SER B 39 -11.507 -10.794 -3.627 1.00 0.00 H new ATOM 0 HB2 SER B 39 -13.734 -9.915 -4.442 1.00 0.00 H new ATOM 0 HB3 SER B 39 -12.983 -9.509 -5.972 1.00 0.00 H new ATOM 0 HG SER B 39 -13.964 -11.624 -6.009 1.00 0.00 H new ATOM 1547 N GLN B 40 -10.151 -9.260 -6.217 1.00 0.00 N ATOM 1548 CA GLN B 40 -9.100 -9.359 -7.213 1.00 0.00 C ATOM 1549 C GLN B 40 -7.862 -8.588 -6.784 1.00 0.00 C ATOM 1550 O GLN B 40 -7.130 -8.080 -7.631 1.00 0.00 O ATOM 1551 CB GLN B 40 -9.583 -8.867 -8.598 1.00 0.00 C ATOM 1552 CG GLN B 40 -11.121 -8.771 -8.681 1.00 0.00 C ATOM 1553 CD GLN B 40 -11.580 -7.328 -8.470 1.00 0.00 C ATOM 1554 OE1 GLN B 40 -12.651 -6.945 -8.939 1.00 0.00 O ATOM 1555 NE2 GLN B 40 -10.835 -6.501 -7.786 1.00 0.00 N ATOM 0 H GLN B 40 -10.624 -8.357 -6.188 1.00 0.00 H new ATOM 0 HA GLN B 40 -8.838 -10.413 -7.299 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -9.148 -7.889 -8.806 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -9.221 -9.547 -9.369 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -11.462 -9.129 -9.653 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -11.573 -9.416 -7.928 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -9.947 -6.817 -7.397 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -11.141 -5.539 -7.641 1.00 0.00 H new ATOM 1564 N SER B 41 -7.606 -8.513 -5.472 1.00 0.00 N ATOM 1565 CA SER B 41 -6.434 -7.803 -4.993 1.00 0.00 C ATOM 1566 C SER B 41 -5.183 -8.355 -5.648 1.00 0.00 C ATOM 1567 O SER B 41 -4.239 -7.623 -5.931 1.00 0.00 O ATOM 1568 CB SER B 41 -6.317 -7.945 -3.472 1.00 0.00 C ATOM 1569 OG SER B 41 -7.310 -7.153 -2.839 1.00 0.00 O ATOM 0 H SER B 41 -8.186 -8.929 -4.744 1.00 0.00 H new ATOM 0 HA SER B 41 -6.539 -6.749 -5.250 1.00 0.00 H new ATOM 0 HB2 SER B 41 -6.434 -8.990 -3.185 1.00 0.00 H new ATOM 0 HB3 SER B 41 -5.326 -7.633 -3.143 1.00 0.00 H new ATOM 0 HG SER B 41 -7.233 -7.248 -1.867 1.00 0.00 H new ATOM 1575 N ALA B 42 -5.219 -9.649 -5.890 1.00 0.00 N ATOM 1576 CA ALA B 42 -4.127 -10.361 -6.527 1.00 0.00 C ATOM 1577 C ALA B 42 -4.049 -10.029 -8.017 1.00 0.00 C ATOM 1578 O ALA B 42 -2.982 -10.123 -8.619 1.00 0.00 O ATOM 1579 CB ALA B 42 -4.371 -11.859 -6.366 1.00 0.00 C ATOM 0 H ALA B 42 -6.013 -10.242 -5.649 1.00 0.00 H new ATOM 0 HA ALA B 42 -3.189 -10.063 -6.058 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -3.560 -12.413 -6.839 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -4.411 -12.109 -5.306 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -5.316 -12.126 -6.838 1.00 0.00 H new ATOM 1585 N ASN B 43 -5.202 -9.681 -8.596 1.00 0.00 N ATOM 1586 CA ASN B 43 -5.312 -9.374 -10.019 1.00 0.00 C ATOM 1587 C ASN B 43 -4.651 -8.066 -10.391 1.00 0.00 C ATOM 1588 O ASN B 43 -3.820 -8.020 -11.292 1.00 0.00 O ATOM 1589 CB ASN B 43 -6.774 -9.269 -10.369 1.00 0.00 C ATOM 1590 CG ASN B 43 -6.977 -9.397 -11.876 1.00 0.00 C ATOM 1591 OD1 ASN B 43 -7.495 -10.409 -12.349 1.00 0.00 O ATOM 1592 ND2 ASN B 43 -6.589 -8.432 -12.662 1.00 0.00 N ATOM 0 H ASN B 43 -6.084 -9.605 -8.089 1.00 0.00 H new ATOM 0 HA ASN B 43 -4.808 -10.171 -10.565 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -7.334 -10.050 -9.854 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -7.168 -8.313 -10.024 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -6.714 -8.514 -13.671 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -6.160 -7.595 -12.268 1.00 0.00 H new ATOM 1599 N LEU B 44 -5.027 -6.998 -9.700 1.00 0.00 N ATOM 1600 CA LEU B 44 -4.447 -5.719 -9.983 1.00 0.00 C ATOM 1601 C LEU B 44 -3.040 -5.713 -9.418 1.00 0.00 C ATOM 1602 O LEU B 44 -2.147 -5.063 -9.942 1.00 0.00 O ATOM 1603 CB LEU B 44 -5.362 -4.544 -9.567 1.00 0.00 C ATOM 1604 CG LEU B 44 -5.492 -4.317 -8.071 1.00 0.00 C ATOM 1605 CD1 LEU B 44 -6.365 -5.378 -7.448 1.00 0.00 C ATOM 1606 CD2 LEU B 44 -4.152 -4.240 -7.379 1.00 0.00 C ATOM 0 H LEU B 44 -5.721 -7.004 -8.953 1.00 0.00 H new ATOM 0 HA LEU B 44 -4.359 -5.554 -11.057 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -4.982 -3.630 -10.024 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -6.356 -4.717 -9.979 1.00 0.00 H new ATOM 0 HG LEU B 44 -5.969 -3.347 -7.933 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -6.446 -5.199 -6.376 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -7.357 -5.343 -7.898 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -5.923 -6.360 -7.619 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -4.302 -4.077 -6.312 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -3.610 -5.174 -7.531 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -3.575 -3.414 -7.794 1.00 0.00 H new ATOM 1618 N LEU B 45 -2.829 -6.532 -8.387 1.00 0.00 N ATOM 1619 CA LEU B 45 -1.503 -6.707 -7.843 1.00 0.00 C ATOM 1620 C LEU B 45 -0.706 -7.345 -8.958 1.00 0.00 C ATOM 1621 O LEU B 45 0.462 -7.051 -9.182 1.00 0.00 O ATOM 1622 CB LEU B 45 -1.532 -7.644 -6.630 1.00 0.00 C ATOM 1623 CG LEU B 45 -0.155 -8.296 -6.426 1.00 0.00 C ATOM 1624 CD1 LEU B 45 0.899 -7.210 -6.221 1.00 0.00 C ATOM 1625 CD2 LEU B 45 -0.198 -9.235 -5.214 1.00 0.00 C ATOM 0 H LEU B 45 -3.558 -7.075 -7.923 1.00 0.00 H new ATOM 0 HA LEU B 45 -1.078 -5.761 -7.508 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -1.813 -7.085 -5.737 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -2.289 -8.415 -6.775 1.00 0.00 H new ATOM 0 HG LEU B 45 0.106 -8.879 -7.309 1.00 0.00 H new ATOM 0 HD11 LEU B 45 1.875 -7.673 -6.076 1.00 0.00 H new ATOM 0 HD12 LEU B 45 0.930 -6.563 -7.098 1.00 0.00 H new ATOM 0 HD13 LEU B 45 0.645 -6.617 -5.342 1.00 0.00 H new ATOM 0 HD21 LEU B 45 0.781 -9.694 -5.075 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -0.462 -8.666 -4.322 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -0.943 -10.013 -5.383 1.00 0.00 H new ATOM 1637 N ALA B 46 -1.410 -8.205 -9.679 1.00 0.00 N ATOM 1638 CA ALA B 46 -0.832 -8.886 -10.818 1.00 0.00 C ATOM 1639 C ALA B 46 -0.483 -7.825 -11.849 1.00 0.00 C ATOM 1640 O ALA B 46 0.599 -7.833 -12.428 1.00 0.00 O ATOM 1641 CB ALA B 46 -1.829 -9.897 -11.406 1.00 0.00 C ATOM 0 H ALA B 46 -2.383 -8.445 -9.492 1.00 0.00 H new ATOM 0 HA ALA B 46 0.058 -9.441 -10.520 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -1.377 -10.399 -12.261 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -2.088 -10.635 -10.647 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -2.730 -9.375 -11.727 1.00 0.00 H new ATOM 1647 N GLU B 47 -1.415 -6.880 -12.010 1.00 0.00 N ATOM 1648 CA GLU B 47 -1.236 -5.753 -12.909 1.00 0.00 C ATOM 1649 C GLU B 47 -0.052 -4.921 -12.436 1.00 0.00 C ATOM 1650 O GLU B 47 0.651 -4.314 -13.233 1.00 0.00 O ATOM 1651 CB GLU B 47 -2.489 -4.857 -12.918 1.00 0.00 C ATOM 1652 CG GLU B 47 -3.692 -5.580 -13.509 1.00 0.00 C ATOM 1653 CD GLU B 47 -3.379 -6.124 -14.907 1.00 0.00 C ATOM 1654 OE1 GLU B 47 -2.985 -5.340 -15.758 1.00 0.00 O ATOM 1655 OE2 GLU B 47 -3.534 -7.317 -15.105 1.00 0.00 O ATOM 0 H GLU B 47 -2.309 -6.881 -11.519 1.00 0.00 H new ATOM 0 HA GLU B 47 -1.063 -6.137 -13.915 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -2.718 -4.541 -11.900 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -2.287 -3.954 -13.495 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -3.985 -6.400 -12.854 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -4.540 -4.897 -13.563 1.00 0.00 H new ATOM 1662 N ALA B 48 0.132 -4.887 -11.118 1.00 0.00 N ATOM 1663 CA ALA B 48 1.198 -4.124 -10.508 1.00 0.00 C ATOM 1664 C ALA B 48 2.532 -4.781 -10.740 1.00 0.00 C ATOM 1665 O ALA B 48 3.475 -4.147 -11.174 1.00 0.00 O ATOM 1666 CB ALA B 48 0.950 -4.092 -9.014 1.00 0.00 C ATOM 0 H ALA B 48 -0.456 -5.388 -10.452 1.00 0.00 H new ATOM 0 HA ALA B 48 1.213 -3.125 -10.943 1.00 0.00 H new ATOM 0 HB1 ALA B 48 1.740 -3.522 -8.526 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -0.013 -3.621 -8.815 1.00 0.00 H new ATOM 0 HB3 ALA B 48 0.944 -5.110 -8.624 1.00 0.00 H new ATOM 1672 N LYS B 49 2.582 -6.069 -10.475 1.00 0.00 N ATOM 1673 CA LYS B 49 3.788 -6.832 -10.683 1.00 0.00 C ATOM 1674 C LYS B 49 4.106 -6.806 -12.174 1.00 0.00 C ATOM 1675 O LYS B 49 5.266 -6.776 -12.583 1.00 0.00 O ATOM 1676 CB LYS B 49 3.583 -8.242 -10.124 1.00 0.00 C ATOM 1677 CG LYS B 49 3.669 -8.209 -8.594 1.00 0.00 C ATOM 1678 CD LYS B 49 3.715 -9.644 -8.047 1.00 0.00 C ATOM 1679 CE LYS B 49 2.351 -10.329 -8.225 1.00 0.00 C ATOM 1680 NZ LYS B 49 1.876 -10.837 -6.907 1.00 0.00 N ATOM 0 H LYS B 49 1.796 -6.609 -10.113 1.00 0.00 H new ATOM 0 HA LYS B 49 4.644 -6.410 -10.156 1.00 0.00 H new ATOM 0 HB2 LYS B 49 2.613 -8.629 -10.435 1.00 0.00 H new ATOM 0 HB3 LYS B 49 4.339 -8.916 -10.526 1.00 0.00 H new ATOM 0 HG2 LYS B 49 4.559 -7.662 -8.282 1.00 0.00 H new ATOM 0 HG3 LYS B 49 2.809 -7.680 -8.183 1.00 0.00 H new ATOM 0 HD2 LYS B 49 4.486 -10.213 -8.567 1.00 0.00 H new ATOM 0 HD3 LYS B 49 3.987 -9.629 -6.992 1.00 0.00 H new ATOM 0 HE2 LYS B 49 1.629 -9.624 -8.637 1.00 0.00 H new ATOM 0 HE3 LYS B 49 2.435 -11.151 -8.935 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 0.840 -10.924 -6.921 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 2.299 -11.769 -6.721 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 2.158 -10.174 -6.157 1.00 0.00 H new ATOM 1694 N LYS B 50 3.033 -6.736 -12.965 1.00 0.00 N ATOM 1695 CA LYS B 50 3.119 -6.620 -14.413 1.00 0.00 C ATOM 1696 C LYS B 50 3.625 -5.234 -14.787 1.00 0.00 C ATOM 1697 O LYS B 50 4.440 -5.085 -15.687 1.00 0.00 O ATOM 1698 CB LYS B 50 1.732 -6.825 -15.001 1.00 0.00 C ATOM 1699 CG LYS B 50 1.781 -6.908 -16.532 1.00 0.00 C ATOM 1700 CD LYS B 50 0.396 -6.558 -17.098 1.00 0.00 C ATOM 1701 CE LYS B 50 -0.614 -7.671 -16.782 1.00 0.00 C ATOM 1702 NZ LYS B 50 -0.169 -8.949 -17.409 1.00 0.00 N ATOM 0 H LYS B 50 2.076 -6.759 -12.612 1.00 0.00 H new ATOM 0 HA LYS B 50 3.807 -7.370 -14.804 1.00 0.00 H new ATOM 0 HB2 LYS B 50 1.296 -7.740 -14.599 1.00 0.00 H new ATOM 0 HB3 LYS B 50 1.082 -6.003 -14.700 1.00 0.00 H new ATOM 0 HG2 LYS B 50 2.532 -6.221 -16.922 1.00 0.00 H new ATOM 0 HG3 LYS B 50 2.073 -7.910 -16.845 1.00 0.00 H new ATOM 0 HD2 LYS B 50 0.051 -5.615 -16.673 1.00 0.00 H new ATOM 0 HD3 LYS B 50 0.463 -6.416 -18.177 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -0.705 -7.797 -15.703 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -1.601 -7.396 -17.155 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -0.991 -9.569 -17.554 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 0.280 -8.748 -18.326 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 0.515 -9.422 -16.785 1.00 0.00 H new ATOM 1716 N LEU B 51 3.118 -4.218 -14.084 1.00 0.00 N ATOM 1717 CA LEU B 51 3.522 -2.837 -14.340 1.00 0.00 C ATOM 1718 C LEU B 51 4.955 -2.659 -13.938 1.00 0.00 C ATOM 1719 O LEU B 51 5.748 -2.048 -14.651 1.00 0.00 O ATOM 1720 CB LEU B 51 2.639 -1.859 -13.556 1.00 0.00 C ATOM 1721 CG LEU B 51 1.728 -1.107 -14.521 1.00 0.00 C ATOM 1722 CD1 LEU B 51 2.567 -0.085 -15.302 1.00 0.00 C ATOM 1723 CD2 LEU B 51 1.053 -2.106 -15.482 1.00 0.00 C ATOM 0 H LEU B 51 2.431 -4.326 -13.338 1.00 0.00 H new ATOM 0 HA LEU B 51 3.407 -2.627 -15.403 1.00 0.00 H new ATOM 0 HB2 LEU B 51 2.041 -2.400 -12.823 1.00 0.00 H new ATOM 0 HB3 LEU B 51 3.261 -1.155 -13.003 1.00 0.00 H new ATOM 0 HG LEU B 51 0.948 -0.582 -13.969 1.00 0.00 H new ATOM 0 HD11 LEU B 51 1.925 0.459 -15.995 1.00 0.00 H new ATOM 0 HD12 LEU B 51 3.026 0.617 -14.606 1.00 0.00 H new ATOM 0 HD13 LEU B 51 3.346 -0.604 -15.860 1.00 0.00 H new ATOM 0 HD21 LEU B 51 0.403 -1.566 -16.170 1.00 0.00 H new ATOM 0 HD22 LEU B 51 1.817 -2.640 -16.048 1.00 0.00 H new ATOM 0 HD23 LEU B 51 0.462 -2.820 -14.908 1.00 0.00 H new ATOM 1735 N ASN B 52 5.283 -3.251 -12.810 1.00 0.00 N ATOM 1736 CA ASN B 52 6.639 -3.221 -12.325 1.00 0.00 C ATOM 1737 C ASN B 52 7.486 -3.903 -13.366 1.00 0.00 C ATOM 1738 O ASN B 52 8.581 -3.453 -13.690 1.00 0.00 O ATOM 1739 CB ASN B 52 6.737 -3.951 -10.991 1.00 0.00 C ATOM 1740 CG ASN B 52 8.197 -4.118 -10.581 1.00 0.00 C ATOM 1741 OD1 ASN B 52 8.725 -3.342 -9.788 1.00 0.00 O ATOM 1742 ND2 ASN B 52 8.882 -5.091 -11.093 1.00 0.00 N ATOM 0 H ASN B 52 4.628 -3.757 -12.215 1.00 0.00 H new ATOM 0 HA ASN B 52 6.977 -2.198 -12.161 1.00 0.00 H new ATOM 0 HB2 ASN B 52 6.199 -3.394 -10.224 1.00 0.00 H new ATOM 0 HB3 ASN B 52 6.260 -4.928 -11.068 1.00 0.00 H new ATOM 0 HD21 ASN B 52 9.862 -5.214 -10.838 1.00 0.00 H new ATOM 0 HD22 ASN B 52 8.441 -5.734 -11.751 1.00 0.00 H new ATOM 1749 N ASP B 53 6.921 -4.976 -13.917 1.00 0.00 N ATOM 1750 CA ASP B 53 7.599 -5.710 -14.978 1.00 0.00 C ATOM 1751 C ASP B 53 7.678 -4.835 -16.227 1.00 0.00 C ATOM 1752 O ASP B 53 8.661 -4.872 -16.972 1.00 0.00 O ATOM 1753 CB ASP B 53 6.856 -7.008 -15.312 1.00 0.00 C ATOM 1754 CG ASP B 53 7.707 -7.864 -16.250 1.00 0.00 C ATOM 1755 OD1 ASP B 53 8.537 -8.607 -15.753 1.00 0.00 O ATOM 1756 OD2 ASP B 53 7.524 -7.754 -17.451 1.00 0.00 O ATOM 0 H ASP B 53 6.010 -5.350 -13.650 1.00 0.00 H new ATOM 0 HA ASP B 53 8.601 -5.966 -14.634 1.00 0.00 H new ATOM 0 HB2 ASP B 53 6.639 -7.560 -14.397 1.00 0.00 H new ATOM 0 HB3 ASP B 53 5.899 -6.780 -15.781 1.00 0.00 H new ATOM 1761 N ALA B 54 6.620 -4.049 -16.437 1.00 0.00 N ATOM 1762 CA ALA B 54 6.527 -3.152 -17.578 1.00 0.00 C ATOM 1763 C ALA B 54 7.592 -2.066 -17.489 1.00 0.00 C ATOM 1764 O ALA B 54 8.191 -1.683 -18.497 1.00 0.00 O ATOM 1765 CB ALA B 54 5.135 -2.520 -17.607 1.00 0.00 C ATOM 0 H ALA B 54 5.809 -4.020 -15.820 1.00 0.00 H new ATOM 0 HA ALA B 54 6.691 -3.719 -18.495 1.00 0.00 H new ATOM 0 HB1 ALA B 54 5.059 -1.846 -18.460 1.00 0.00 H new ATOM 0 HB2 ALA B 54 4.382 -3.303 -17.695 1.00 0.00 H new ATOM 0 HB3 ALA B 54 4.971 -1.960 -16.687 1.00 0.00 H new ATOM 1771 N GLN B 55 7.823 -1.583 -16.269 1.00 0.00 N ATOM 1772 CA GLN B 55 8.818 -0.547 -16.026 1.00 0.00 C ATOM 1773 C GLN B 55 10.186 -1.157 -15.735 1.00 0.00 C ATOM 1774 O GLN B 55 11.194 -0.448 -15.699 1.00 0.00 O ATOM 1775 CB GLN B 55 8.364 0.293 -14.850 1.00 0.00 C ATOM 1776 CG GLN B 55 7.101 1.067 -15.225 1.00 0.00 C ATOM 1777 CD GLN B 55 6.287 1.341 -13.973 1.00 0.00 C ATOM 1778 OE1 GLN B 55 6.084 2.494 -13.597 1.00 0.00 O ATOM 1779 NE2 GLN B 55 5.814 0.333 -13.296 1.00 0.00 N ATOM 0 H GLN B 55 7.331 -1.896 -15.432 1.00 0.00 H new ATOM 0 HA GLN B 55 8.914 0.073 -16.917 1.00 0.00 H new ATOM 0 HB2 GLN B 55 8.168 -0.346 -13.989 1.00 0.00 H new ATOM 0 HB3 GLN B 55 9.154 0.986 -14.560 1.00 0.00 H new ATOM 0 HG2 GLN B 55 7.367 2.005 -15.712 1.00 0.00 H new ATOM 0 HG3 GLN B 55 6.509 0.495 -15.939 1.00 0.00 H new ATOM 0 HE21 GLN B 55 5.986 -0.621 -13.614 1.00 0.00 H new ATOM 0 HE22 GLN B 55 5.271 0.498 -12.448 1.00 0.00 H new ATOM 1788 N ALA B 56 10.213 -2.475 -15.529 1.00 0.00 N ATOM 1789 CA ALA B 56 11.465 -3.178 -15.242 1.00 0.00 C ATOM 1790 C ALA B 56 12.369 -3.180 -16.462 1.00 0.00 C ATOM 1791 O ALA B 56 11.923 -2.893 -17.576 1.00 0.00 O ATOM 1792 CB ALA B 56 11.196 -4.627 -14.832 1.00 0.00 C ATOM 0 H ALA B 56 9.388 -3.074 -15.555 1.00 0.00 H new ATOM 0 HA ALA B 56 11.954 -2.653 -14.421 1.00 0.00 H new ATOM 0 HB1 ALA B 56 12.142 -5.128 -14.624 1.00 0.00 H new ATOM 0 HB2 ALA B 56 10.573 -4.642 -13.938 1.00 0.00 H new ATOM 0 HB3 ALA B 56 10.682 -5.145 -15.642 1.00 0.00 H new ATOM 1798 N PRO B 57 13.625 -3.500 -16.275 1.00 0.00 N ATOM 1799 CA PRO B 57 14.611 -3.542 -17.365 1.00 0.00 C ATOM 1800 C PRO B 57 14.529 -4.858 -18.127 1.00 0.00 C ATOM 1801 O PRO B 57 13.896 -5.815 -17.674 1.00 0.00 O ATOM 1802 CB PRO B 57 15.963 -3.386 -16.649 1.00 0.00 C ATOM 1803 CG PRO B 57 15.656 -3.286 -15.188 1.00 0.00 C ATOM 1804 CD PRO B 57 14.269 -3.868 -15.016 1.00 0.00 C ATOM 0 HA PRO B 57 14.447 -2.766 -18.112 1.00 0.00 H new ATOM 0 HB2 PRO B 57 16.611 -4.238 -16.853 1.00 0.00 H new ATOM 0 HB3 PRO B 57 16.487 -2.496 -16.998 1.00 0.00 H new ATOM 0 HG2 PRO B 57 16.387 -3.837 -14.596 1.00 0.00 H new ATOM 0 HG3 PRO B 57 15.690 -2.250 -14.852 1.00 0.00 H new ATOM 0 HD2 PRO B 57 14.295 -4.948 -14.872 1.00 0.00 H new ATOM 0 HD3 PRO B 57 13.753 -3.444 -14.155 1.00 0.00 H new ATOM 1812 N LYS B 58 15.161 -4.883 -19.287 1.00 0.00 N ATOM 1813 CA LYS B 58 15.167 -6.060 -20.142 1.00 0.00 C ATOM 1814 C LYS B 58 16.566 -6.307 -20.711 1.00 0.00 C ATOM 1815 O LYS B 58 16.980 -7.455 -20.737 1.00 0.00 O ATOM 1816 CB LYS B 58 14.172 -5.856 -21.281 1.00 0.00 C ATOM 1817 CG LYS B 58 12.755 -6.269 -20.838 1.00 0.00 C ATOM 1818 CD LYS B 58 11.958 -5.027 -20.400 1.00 0.00 C ATOM 1819 CE LYS B 58 10.721 -5.453 -19.599 1.00 0.00 C ATOM 1820 NZ LYS B 58 11.098 -5.670 -18.173 1.00 0.00 N ATOM 1821 OXT LYS B 58 17.204 -5.345 -21.113 1.00 0.00 O ATOM 0 H LYS B 58 15.683 -4.092 -19.663 1.00 0.00 H new ATOM 0 HA LYS B 58 14.880 -6.930 -19.551 1.00 0.00 H new ATOM 0 HB2 LYS B 58 14.173 -4.811 -21.590 1.00 0.00 H new ATOM 0 HB3 LYS B 58 14.475 -6.445 -22.147 1.00 0.00 H new ATOM 0 HG2 LYS B 58 12.241 -6.771 -21.657 1.00 0.00 H new ATOM 0 HG3 LYS B 58 12.815 -6.981 -20.015 1.00 0.00 H new ATOM 0 HD2 LYS B 58 12.588 -4.376 -19.794 1.00 0.00 H new ATOM 0 HD3 LYS B 58 11.655 -4.452 -21.275 1.00 0.00 H new ATOM 0 HE2 LYS B 58 9.949 -4.687 -19.669 1.00 0.00 H new ATOM 0 HE3 LYS B 58 10.301 -6.368 -20.018 1.00 0.00 H new ATOM 0 HZ1 LYS B 58 10.846 -6.639 -17.891 1.00 0.00 H new ATOM 0 HZ2 LYS B 58 12.123 -5.532 -18.060 1.00 0.00 H new ATOM 0 HZ3 LYS B 58 10.589 -4.991 -17.572 1.00 0.00 H new TER 1835 LYS B 58