USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=20 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= -0.768 K(o=-6.9,f=-4.9) USER MOD Set 1.2: B 52 ASN : amide:sc= -6.09! C(o=-6.9!,f=-4.5!) USER MOD Set 2.1: B 3 ASN : amide:sc= -1.4 K(o=-1.4,f=-2.4) USER MOD Set 2.2: B 39 SER OG : rot 180:sc= 0 USER MOD Set 3.1: B 26 GLN : amide:sc= -9.06! K(o=-15!,f=-1.1) USER MOD Set 3.2: B 55 GLN : amide:sc= -6.42! K(o=-15!,f=-1.1) USER MOD Set 4.1: B 23 ASN : amide:sc= -9.07! C(o=-9.4!,f=-19!) USER MOD Set 4.2: B 24 SER OG : rot -140:sc= -0.323 USER MOD Set 5.1: A 23 ASN : amide:sc= -4.29! C(o=-20!,f=-17!) USER MOD Set 5.2: A 26 GLN : amide:sc= -6.75! K(o=-20!,f=-9.6) USER MOD Set 5.3: A 55 GLN : amide:sc= -9.33! C(o=-20!,f=-9.6!) USER MOD Set 6.1: A 21 ASN : amide:sc= -3.65! K(o=-15!,f=-11) USER MOD Set 6.2: A 52 ASN : amide:sc= -11.5! C(o=-15!,f=-19!) USER MOD Set 7.1: A 13 THR OG1 : rot 112:sc= -1.77 USER MOD Set 7.2: B 17 MET CE :methyl -124:sc= -11.7! (180deg=-11.9!) USER MOD Set 8.1: A 7 LYS NZ :NH3+ 169:sc= -0.896 (180deg=-0.899) USER MOD Set 8.2: B 7 LYS NZ :NH3+ -130:sc= 0.518 (180deg=-0.607) USER MOD Set 9.1: A 3 ASN : amide:sc= -3.26! C(o=-9.8!,f=-10!) USER MOD Set 9.2: A 6 ASN : amide:sc= -6.56! C(o=-9.8!,f=-13!) USER MOD Single : A 1 VAL N :NH3+ 134:sc= -0.601 (180deg=-0.906) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -7.83! K(o=-7.8!,f=-1.9) USER MOD Single : A 28 LYS NZ :NH3+ 160:sc= -0.69 (180deg=-1.25) USER MOD Single : A 33 SER OG : rot 75:sc= 0.71 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.293 K(o=-0.29,f=-1.8) USER MOD Single : A 41 SER OG : rot -90:sc= 0.384 USER MOD Single : A 43 ASN : amide:sc= -0.0869 X(o=-0.087,f=-0.0015) USER MOD Single : A 49 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.284) USER MOD Single : A 50 LYS NZ :NH3+ -124:sc= 0.954 (180deg=0.0254) USER MOD Single : A 58 LYS NZ :NH3+ -162:sc= 1.16 (180deg=0.778) USER MOD Single : B 1 VAL N :NH3+ -159:sc= -0.0931 (180deg=-0.79) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 6 ASN : amide:sc= -6.64! K(o=-6.6!,f=-0.3) USER MOD Single : B 32 ASN : amide:sc= -4.43! C(o=-4.4!,f=-3.6!) USER MOD Single : B 33 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN : amide:sc= 0 K(o=0,f=-2.5!) USER MOD Single : B 41 SER OG : rot 5:sc= -2.21! USER MOD Single : B 43 ASN : amide:sc= -0.684 K(o=-0.68,f=-0.043) USER MOD Single : B 49 LYS NZ :NH3+ 155:sc= -2.53 (180deg=-3.2!) USER MOD Single : B 50 LYS NZ :NH3+ 169:sc= -1.93! (180deg=-2.08!) USER MOD Single : B 58 LYS NZ :NH3+ -121:sc= -0.428 (180deg=-1.11!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 13.557 -14.979 5.810 1.00 0.00 N ATOM 2 CA VAL A 1 12.706 -14.297 6.829 1.00 0.00 C ATOM 3 C VAL A 1 11.251 -14.299 6.361 1.00 0.00 C ATOM 4 O VAL A 1 10.972 -14.477 5.173 1.00 0.00 O ATOM 5 CB VAL A 1 13.194 -12.850 7.036 1.00 0.00 C ATOM 6 CG1 VAL A 1 14.589 -12.859 7.676 1.00 0.00 C ATOM 7 CG2 VAL A 1 13.257 -12.111 5.689 1.00 0.00 C ATOM 0 H1 VAL A 1 14.409 -14.410 5.633 1.00 0.00 H new ATOM 0 H2 VAL A 1 13.834 -15.918 6.161 1.00 0.00 H new ATOM 0 H3 VAL A 1 13.021 -15.085 4.925 1.00 0.00 H new ATOM 0 HA VAL A 1 12.778 -14.830 7.777 1.00 0.00 H new ATOM 0 HB VAL A 1 12.493 -12.336 7.693 1.00 0.00 H new ATOM 0 HG11 VAL A 1 14.930 -11.834 7.820 1.00 0.00 H new ATOM 0 HG12 VAL A 1 14.544 -13.365 8.640 1.00 0.00 H new ATOM 0 HG13 VAL A 1 15.286 -13.384 7.023 1.00 0.00 H new ATOM 0 HG21 VAL A 1 13.603 -11.090 5.850 1.00 0.00 H new ATOM 0 HG22 VAL A 1 13.948 -12.628 5.023 1.00 0.00 H new ATOM 0 HG23 VAL A 1 12.265 -12.091 5.238 1.00 0.00 H new ATOM 19 N ASP A 2 10.331 -14.096 7.307 1.00 0.00 N ATOM 20 CA ASP A 2 8.904 -14.069 6.993 1.00 0.00 C ATOM 21 C ASP A 2 8.549 -12.802 6.215 1.00 0.00 C ATOM 22 O ASP A 2 9.180 -11.756 6.391 1.00 0.00 O ATOM 23 CB ASP A 2 8.077 -14.135 8.282 1.00 0.00 C ATOM 24 CG ASP A 2 6.610 -14.418 7.950 1.00 0.00 C ATOM 25 OD1 ASP A 2 6.265 -15.581 7.828 1.00 0.00 O ATOM 26 OD2 ASP A 2 5.857 -13.469 7.814 1.00 0.00 O ATOM 0 H ASP A 2 10.549 -13.949 8.292 1.00 0.00 H new ATOM 0 HA ASP A 2 8.673 -14.936 6.375 1.00 0.00 H new ATOM 0 HB2 ASP A 2 8.468 -14.916 8.935 1.00 0.00 H new ATOM 0 HB3 ASP A 2 8.160 -13.194 8.826 1.00 0.00 H new ATOM 31 N ASN A 3 7.535 -12.910 5.357 1.00 0.00 N ATOM 32 CA ASN A 3 7.088 -11.776 4.545 1.00 0.00 C ATOM 33 C ASN A 3 6.180 -10.841 5.356 1.00 0.00 C ATOM 34 O ASN A 3 5.411 -10.065 4.787 1.00 0.00 O ATOM 35 CB ASN A 3 6.340 -12.296 3.301 1.00 0.00 C ATOM 36 CG ASN A 3 6.499 -11.329 2.125 1.00 0.00 C ATOM 37 OD1 ASN A 3 7.552 -10.713 1.953 1.00 0.00 O ATOM 38 ND2 ASN A 3 5.508 -11.163 1.294 1.00 0.00 N ATOM 0 H ASN A 3 7.007 -13.770 5.205 1.00 0.00 H new ATOM 0 HA ASN A 3 7.963 -11.206 4.232 1.00 0.00 H new ATOM 0 HB2 ASN A 3 6.724 -13.278 3.024 1.00 0.00 H new ATOM 0 HB3 ASN A 3 5.283 -12.422 3.533 1.00 0.00 H new ATOM 0 HD21 ASN A 3 5.606 -10.525 0.504 1.00 0.00 H new ATOM 0 HD22 ASN A 3 4.635 -11.671 1.433 1.00 0.00 H new ATOM 45 N LYS A 4 6.270 -10.925 6.689 1.00 0.00 N ATOM 46 CA LYS A 4 5.450 -10.086 7.566 1.00 0.00 C ATOM 47 C LYS A 4 5.652 -8.608 7.240 1.00 0.00 C ATOM 48 O LYS A 4 4.691 -7.844 7.199 1.00 0.00 O ATOM 49 CB LYS A 4 5.813 -10.343 9.036 1.00 0.00 C ATOM 50 CG LYS A 4 4.830 -9.596 9.947 1.00 0.00 C ATOM 51 CD LYS A 4 5.200 -9.825 11.416 1.00 0.00 C ATOM 52 CE LYS A 4 4.134 -9.191 12.314 1.00 0.00 C ATOM 53 NZ LYS A 4 4.518 -9.368 13.743 1.00 0.00 N ATOM 0 H LYS A 4 6.898 -11.561 7.180 1.00 0.00 H new ATOM 0 HA LYS A 4 4.403 -10.343 7.403 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.780 -11.412 9.248 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.832 -10.010 9.233 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.850 -8.530 9.720 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.814 -9.943 9.761 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.276 -10.893 11.621 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.176 -9.389 11.629 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.032 -8.131 12.083 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.164 -9.653 12.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 3.794 -8.937 14.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.594 -10.382 13.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.434 -8.908 13.916 1.00 0.00 H new ATOM 67 N PHE A 5 6.906 -8.218 6.996 1.00 0.00 N ATOM 68 CA PHE A 5 7.225 -6.838 6.664 1.00 0.00 C ATOM 69 C PHE A 5 6.428 -6.399 5.438 1.00 0.00 C ATOM 70 O PHE A 5 5.945 -5.276 5.391 1.00 0.00 O ATOM 71 CB PHE A 5 8.739 -6.665 6.440 1.00 0.00 C ATOM 72 CG PHE A 5 9.146 -7.147 5.063 1.00 0.00 C ATOM 73 CD1 PHE A 5 9.301 -8.518 4.818 1.00 0.00 C ATOM 74 CD2 PHE A 5 9.372 -6.220 4.033 1.00 0.00 C ATOM 75 CE1 PHE A 5 9.682 -8.963 3.548 1.00 0.00 C ATOM 76 CE2 PHE A 5 9.754 -6.668 2.765 1.00 0.00 C ATOM 77 CZ PHE A 5 9.908 -8.038 2.522 1.00 0.00 C ATOM 0 H PHE A 5 7.712 -8.842 7.024 1.00 0.00 H new ATOM 0 HA PHE A 5 6.944 -6.200 7.502 1.00 0.00 H new ATOM 0 HB2 PHE A 5 9.009 -5.615 6.556 1.00 0.00 H new ATOM 0 HB3 PHE A 5 9.288 -7.221 7.200 1.00 0.00 H new ATOM 0 HD1 PHE A 5 9.126 -9.231 5.610 1.00 0.00 H new ATOM 0 HD2 PHE A 5 9.251 -5.163 4.220 1.00 0.00 H new ATOM 0 HE1 PHE A 5 9.802 -10.020 3.359 1.00 0.00 H new ATOM 0 HE2 PHE A 5 9.930 -5.956 1.972 1.00 0.00 H new ATOM 0 HZ PHE A 5 10.202 -8.382 1.541 1.00 0.00 H new ATOM 87 N ASN A 6 6.275 -7.304 4.461 1.00 0.00 N ATOM 88 CA ASN A 6 5.500 -7.002 3.264 1.00 0.00 C ATOM 89 C ASN A 6 4.050 -6.762 3.641 1.00 0.00 C ATOM 90 O ASN A 6 3.425 -5.811 3.182 1.00 0.00 O ATOM 91 CB ASN A 6 5.554 -8.175 2.296 1.00 0.00 C ATOM 92 CG ASN A 6 4.844 -7.829 0.994 1.00 0.00 C ATOM 93 OD1 ASN A 6 4.904 -6.696 0.540 1.00 0.00 O ATOM 94 ND2 ASN A 6 4.153 -8.747 0.381 1.00 0.00 N ATOM 0 H ASN A 6 6.676 -8.241 4.481 1.00 0.00 H new ATOM 0 HA ASN A 6 5.921 -6.113 2.794 1.00 0.00 H new ATOM 0 HB2 ASN A 6 6.592 -8.437 2.092 1.00 0.00 H new ATOM 0 HB3 ASN A 6 5.088 -9.050 2.750 1.00 0.00 H new ATOM 0 HD21 ASN A 6 3.659 -8.522 -0.482 1.00 0.00 H new ATOM 0 HD22 ASN A 6 4.106 -9.691 0.764 1.00 0.00 H new ATOM 101 N LYS A 7 3.531 -7.634 4.502 1.00 0.00 N ATOM 102 CA LYS A 7 2.163 -7.514 4.958 1.00 0.00 C ATOM 103 C LYS A 7 2.027 -6.189 5.676 1.00 0.00 C ATOM 104 O LYS A 7 1.070 -5.460 5.476 1.00 0.00 O ATOM 105 CB LYS A 7 1.824 -8.681 5.897 1.00 0.00 C ATOM 106 CG LYS A 7 0.314 -8.728 6.164 1.00 0.00 C ATOM 107 CD LYS A 7 -0.042 -10.015 6.923 1.00 0.00 C ATOM 108 CE LYS A 7 -0.488 -11.094 5.934 1.00 0.00 C ATOM 109 NZ LYS A 7 -1.031 -12.259 6.683 1.00 0.00 N ATOM 0 H LYS A 7 4.041 -8.426 4.893 1.00 0.00 H new ATOM 0 HA LYS A 7 1.470 -7.550 4.117 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.151 -9.621 5.453 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.363 -8.568 6.838 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.011 -7.857 6.745 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.232 -8.688 5.222 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.821 -10.364 7.491 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.837 -9.816 7.641 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.247 -10.695 5.261 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.354 -11.406 5.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.502 -12.908 6.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.254 -12.757 7.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.718 -11.928 7.390 1.00 0.00 H new ATOM 123 N GLU A 8 3.028 -5.877 6.490 1.00 0.00 N ATOM 124 CA GLU A 8 3.040 -4.625 7.227 1.00 0.00 C ATOM 125 C GLU A 8 3.229 -3.440 6.281 1.00 0.00 C ATOM 126 O GLU A 8 2.600 -2.399 6.442 1.00 0.00 O ATOM 127 CB GLU A 8 4.142 -4.656 8.291 1.00 0.00 C ATOM 128 CG GLU A 8 3.772 -5.646 9.411 1.00 0.00 C ATOM 129 CD GLU A 8 2.397 -5.317 10.004 1.00 0.00 C ATOM 130 OE1 GLU A 8 2.216 -4.198 10.458 1.00 0.00 O ATOM 131 OE2 GLU A 8 1.547 -6.194 9.996 1.00 0.00 O ATOM 0 H GLU A 8 3.839 -6.474 6.654 1.00 0.00 H new ATOM 0 HA GLU A 8 2.078 -4.502 7.725 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.089 -4.947 7.836 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.283 -3.659 8.709 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.768 -6.662 9.016 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.528 -5.612 10.196 1.00 0.00 H new ATOM 138 N LEU A 9 4.063 -3.641 5.273 1.00 0.00 N ATOM 139 CA LEU A 9 4.317 -2.632 4.242 1.00 0.00 C ATOM 140 C LEU A 9 3.006 -2.336 3.537 1.00 0.00 C ATOM 141 O LEU A 9 2.669 -1.182 3.291 1.00 0.00 O ATOM 142 CB LEU A 9 5.374 -3.182 3.269 1.00 0.00 C ATOM 143 CG LEU A 9 5.526 -2.289 2.028 1.00 0.00 C ATOM 144 CD1 LEU A 9 6.345 -1.034 2.319 1.00 0.00 C ATOM 145 CD2 LEU A 9 6.242 -3.071 0.947 1.00 0.00 C ATOM 0 H LEU A 9 4.586 -4.507 5.141 1.00 0.00 H new ATOM 0 HA LEU A 9 4.698 -1.705 4.670 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.333 -3.260 3.780 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.095 -4.189 2.960 1.00 0.00 H new ATOM 0 HG LEU A 9 4.526 -1.986 1.716 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.426 -0.434 1.413 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.853 -0.451 3.098 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.342 -1.320 2.655 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.355 -2.447 0.061 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.226 -3.372 1.307 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.661 -3.958 0.694 1.00 0.00 H new ATOM 157 N GLY A 10 2.247 -3.388 3.263 1.00 0.00 N ATOM 158 CA GLY A 10 0.967 -3.236 2.644 1.00 0.00 C ATOM 159 C GLY A 10 -0.037 -2.724 3.649 1.00 0.00 C ATOM 160 O GLY A 10 -0.920 -1.938 3.325 1.00 0.00 O ATOM 0 H GLY A 10 2.509 -4.353 3.466 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.040 -2.543 1.806 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.634 -4.192 2.240 1.00 0.00 H new ATOM 164 N TRP A 11 0.070 -3.202 4.880 1.00 0.00 N ATOM 165 CA TRP A 11 -0.882 -2.789 5.874 1.00 0.00 C ATOM 166 C TRP A 11 -0.743 -1.345 6.241 1.00 0.00 C ATOM 167 O TRP A 11 -1.727 -0.605 6.231 1.00 0.00 O ATOM 168 CB TRP A 11 -0.860 -3.655 7.117 1.00 0.00 C ATOM 169 CG TRP A 11 -2.271 -3.763 7.622 1.00 0.00 C ATOM 170 CD1 TRP A 11 -2.605 -3.808 8.917 1.00 0.00 C ATOM 171 CD2 TRP A 11 -3.545 -3.803 6.867 1.00 0.00 C ATOM 172 NE1 TRP A 11 -3.980 -3.915 9.021 1.00 0.00 N ATOM 173 CE2 TRP A 11 -4.599 -3.899 7.792 1.00 0.00 C ATOM 174 CE3 TRP A 11 -3.888 -3.774 5.488 1.00 0.00 C ATOM 175 CZ2 TRP A 11 -5.933 -3.960 7.381 1.00 0.00 C ATOM 176 CZ3 TRP A 11 -5.211 -3.829 5.073 1.00 0.00 C ATOM 177 CH2 TRP A 11 -6.242 -3.920 6.017 1.00 0.00 C ATOM 0 H TRP A 11 0.786 -3.855 5.198 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.855 -2.923 5.401 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -0.459 -4.642 6.888 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -0.214 -3.217 7.877 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -1.914 -3.767 9.746 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -4.478 -3.996 9.907 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -3.104 -3.708 4.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -6.723 -4.038 8.114 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -5.446 -3.802 4.019 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -7.272 -3.959 5.693 1.00 0.00 H new ATOM 188 N ALA A 12 0.466 -0.933 6.549 1.00 0.00 N ATOM 189 CA ALA A 12 0.682 0.440 6.898 1.00 0.00 C ATOM 190 C ALA A 12 0.245 1.308 5.720 1.00 0.00 C ATOM 191 O ALA A 12 -0.390 2.338 5.903 1.00 0.00 O ATOM 192 CB ALA A 12 2.149 0.669 7.236 1.00 0.00 C ATOM 0 H ALA A 12 1.298 -1.523 6.563 1.00 0.00 H new ATOM 0 HA ALA A 12 0.097 0.706 7.779 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.303 1.715 7.500 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.431 0.037 8.078 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.765 0.418 6.372 1.00 0.00 H new ATOM 198 N THR A 13 0.536 0.831 4.501 1.00 0.00 N ATOM 199 CA THR A 13 0.127 1.525 3.286 1.00 0.00 C ATOM 200 C THR A 13 -1.378 1.735 3.297 1.00 0.00 C ATOM 201 O THR A 13 -1.844 2.837 3.060 1.00 0.00 O ATOM 202 CB THR A 13 0.526 0.654 2.091 1.00 0.00 C ATOM 203 OG1 THR A 13 1.887 0.875 1.802 1.00 0.00 O ATOM 204 CG2 THR A 13 -0.324 0.979 0.861 1.00 0.00 C ATOM 0 H THR A 13 1.053 -0.033 4.337 1.00 0.00 H new ATOM 0 HA THR A 13 0.610 2.500 3.221 1.00 0.00 H new ATOM 0 HB THR A 13 0.359 -0.392 2.346 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.401 0.067 2.011 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.018 0.345 0.029 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.375 0.798 1.087 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.186 2.026 0.589 1.00 0.00 H new ATOM 212 N TRP A 14 -2.105 0.665 3.598 1.00 0.00 N ATOM 213 CA TRP A 14 -3.569 0.686 3.655 1.00 0.00 C ATOM 214 C TRP A 14 -4.087 1.640 4.715 1.00 0.00 C ATOM 215 O TRP A 14 -5.018 2.398 4.476 1.00 0.00 O ATOM 216 CB TRP A 14 -4.027 -0.708 4.035 1.00 0.00 C ATOM 217 CG TRP A 14 -5.468 -0.943 3.705 1.00 0.00 C ATOM 218 CD1 TRP A 14 -6.444 -1.089 4.626 1.00 0.00 C ATOM 219 CD2 TRP A 14 -6.114 -1.095 2.406 1.00 0.00 C ATOM 220 NE1 TRP A 14 -7.625 -1.389 3.993 1.00 0.00 N ATOM 221 CE2 TRP A 14 -7.480 -1.399 2.632 1.00 0.00 C ATOM 222 CE3 TRP A 14 -5.670 -1.027 1.067 1.00 0.00 C ATOM 223 CZ2 TRP A 14 -8.351 -1.634 1.587 1.00 0.00 C ATOM 224 CZ3 TRP A 14 -6.554 -1.257 0.029 1.00 0.00 C ATOM 225 CH2 TRP A 14 -7.882 -1.566 0.287 1.00 0.00 C ATOM 0 H TRP A 14 -1.698 -0.246 3.811 1.00 0.00 H new ATOM 0 HA TRP A 14 -3.947 1.011 2.686 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -3.413 -1.444 3.516 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -3.872 -0.860 5.103 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -6.316 -0.986 5.693 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -8.502 -1.581 4.477 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -4.637 -0.795 0.853 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -9.387 -1.868 1.782 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -6.208 -1.196 -0.992 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -8.556 -1.755 -0.535 1.00 0.00 H new ATOM 236 N GLU A 15 -3.489 1.563 5.894 1.00 0.00 N ATOM 237 CA GLU A 15 -3.903 2.393 7.011 1.00 0.00 C ATOM 238 C GLU A 15 -3.664 3.867 6.684 1.00 0.00 C ATOM 239 O GLU A 15 -4.518 4.714 6.949 1.00 0.00 O ATOM 240 CB GLU A 15 -3.134 1.950 8.258 1.00 0.00 C ATOM 241 CG GLU A 15 -3.533 0.501 8.609 1.00 0.00 C ATOM 242 CD GLU A 15 -2.570 -0.073 9.646 1.00 0.00 C ATOM 243 OE1 GLU A 15 -2.788 0.161 10.823 1.00 0.00 O ATOM 244 OE2 GLU A 15 -1.629 -0.741 9.246 1.00 0.00 O ATOM 0 H GLU A 15 -2.714 0.933 6.101 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.970 2.276 7.201 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.060 2.012 8.079 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.357 2.614 9.093 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.552 0.480 8.997 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.521 -0.115 7.710 1.00 0.00 H new ATOM 251 N ILE A 16 -2.528 4.147 6.044 1.00 0.00 N ATOM 252 CA ILE A 16 -2.203 5.508 5.608 1.00 0.00 C ATOM 253 C ILE A 16 -3.183 5.896 4.492 1.00 0.00 C ATOM 254 O ILE A 16 -3.659 7.029 4.415 1.00 0.00 O ATOM 255 CB ILE A 16 -0.752 5.542 5.066 1.00 0.00 C ATOM 256 CG1 ILE A 16 0.248 5.187 6.183 1.00 0.00 C ATOM 257 CG2 ILE A 16 -0.405 6.933 4.514 1.00 0.00 C ATOM 258 CD1 ILE A 16 1.640 4.922 5.584 1.00 0.00 C ATOM 0 H ILE A 16 -1.818 3.451 5.816 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.285 6.207 6.441 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.683 4.809 4.263 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.303 6.002 6.904 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.097 4.306 6.724 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.619 6.931 4.140 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.088 7.183 3.702 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.499 7.674 5.308 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.338 4.672 6.383 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.581 4.092 4.880 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.988 5.814 5.064 1.00 0.00 H new ATOM 270 N PHE A 17 -3.475 4.905 3.646 1.00 0.00 N ATOM 271 CA PHE A 17 -4.401 5.048 2.519 1.00 0.00 C ATOM 272 C PHE A 17 -5.809 5.344 3.033 1.00 0.00 C ATOM 273 O PHE A 17 -6.562 6.108 2.428 1.00 0.00 O ATOM 274 CB PHE A 17 -4.427 3.716 1.751 1.00 0.00 C ATOM 275 CG PHE A 17 -4.668 3.897 0.275 1.00 0.00 C ATOM 276 CD1 PHE A 17 -3.601 4.213 -0.578 1.00 0.00 C ATOM 277 CD2 PHE A 17 -5.942 3.675 -0.247 1.00 0.00 C ATOM 278 CE1 PHE A 17 -3.814 4.306 -1.953 1.00 0.00 C ATOM 279 CE2 PHE A 17 -6.160 3.779 -1.623 1.00 0.00 C ATOM 280 CZ PHE A 17 -5.094 4.089 -2.475 1.00 0.00 C ATOM 0 H PHE A 17 -3.071 3.972 3.725 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.075 5.865 1.876 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.479 3.198 1.899 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.207 3.078 2.166 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.616 4.384 -0.171 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.760 3.423 0.412 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.993 4.545 -2.613 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.149 3.621 -2.028 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.260 4.161 -3.540 1.00 0.00 H new ATOM 290 N ASN A 18 -6.156 4.678 4.137 1.00 0.00 N ATOM 291 CA ASN A 18 -7.479 4.796 4.743 1.00 0.00 C ATOM 292 C ASN A 18 -7.552 5.907 5.793 1.00 0.00 C ATOM 293 O ASN A 18 -8.597 6.074 6.428 1.00 0.00 O ATOM 294 CB ASN A 18 -7.862 3.461 5.409 1.00 0.00 C ATOM 295 CG ASN A 18 -7.931 2.313 4.393 1.00 0.00 C ATOM 296 OD1 ASN A 18 -8.426 1.236 4.718 1.00 0.00 O ATOM 297 ND2 ASN A 18 -7.459 2.466 3.185 1.00 0.00 N ATOM 0 H ASN A 18 -5.528 4.045 4.632 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.174 5.048 3.942 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -7.132 3.218 6.182 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.827 3.566 5.904 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -7.503 1.695 2.519 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -7.047 3.357 2.908 1.00 0.00 H new ATOM 304 N LEU A 19 -6.469 6.675 5.990 1.00 0.00 N ATOM 305 CA LEU A 19 -6.515 7.741 6.985 1.00 0.00 C ATOM 306 C LEU A 19 -7.466 8.836 6.499 1.00 0.00 C ATOM 307 O LEU A 19 -7.409 9.228 5.332 1.00 0.00 O ATOM 308 CB LEU A 19 -5.124 8.319 7.266 1.00 0.00 C ATOM 309 CG LEU A 19 -4.522 7.666 8.528 1.00 0.00 C ATOM 310 CD1 LEU A 19 -3.157 8.258 8.780 1.00 0.00 C ATOM 311 CD2 LEU A 19 -5.376 7.943 9.766 1.00 0.00 C ATOM 0 H LEU A 19 -5.585 6.580 5.491 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.880 7.324 7.924 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.471 8.146 6.411 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.191 9.398 7.403 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.475 6.591 8.357 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.722 7.804 9.670 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.513 8.065 7.922 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.249 9.334 8.930 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.921 7.468 10.635 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.439 9.019 9.932 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.378 7.540 9.615 1.00 0.00 H new ATOM 323 N PRO A 20 -8.369 9.300 7.338 1.00 0.00 N ATOM 324 CA PRO A 20 -9.384 10.320 6.952 1.00 0.00 C ATOM 325 C PRO A 20 -8.894 11.772 6.942 1.00 0.00 C ATOM 326 O PRO A 20 -9.734 12.677 6.940 1.00 0.00 O ATOM 327 CB PRO A 20 -10.493 10.139 8.015 1.00 0.00 C ATOM 328 CG PRO A 20 -10.051 9.035 8.918 1.00 0.00 C ATOM 329 CD PRO A 20 -8.550 8.929 8.748 1.00 0.00 C ATOM 0 HA PRO A 20 -9.696 10.160 5.920 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.644 11.061 8.577 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.444 9.894 7.543 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -10.312 9.251 9.954 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.540 8.097 8.655 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -8.016 9.603 9.418 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -8.187 7.922 8.954 1.00 0.00 H new ATOM 337 N ASN A 21 -7.572 12.034 6.950 1.00 0.00 N ATOM 338 CA ASN A 21 -7.137 13.448 6.962 1.00 0.00 C ATOM 339 C ASN A 21 -5.866 13.707 6.160 1.00 0.00 C ATOM 340 O ASN A 21 -5.441 14.858 6.038 1.00 0.00 O ATOM 341 CB ASN A 21 -6.938 13.927 8.406 1.00 0.00 C ATOM 342 CG ASN A 21 -8.249 13.859 9.184 1.00 0.00 C ATOM 343 OD1 ASN A 21 -9.168 14.633 8.923 1.00 0.00 O ATOM 344 ND2 ASN A 21 -8.390 12.973 10.129 1.00 0.00 N ATOM 0 H ASN A 21 -6.827 11.337 6.949 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.934 14.012 6.477 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.185 13.311 8.898 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.562 14.950 8.406 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.263 12.921 10.653 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.627 12.331 10.345 1.00 0.00 H new ATOM 351 N LEU A 22 -5.266 12.664 5.607 1.00 0.00 N ATOM 352 CA LEU A 22 -4.048 12.840 4.819 1.00 0.00 C ATOM 353 C LEU A 22 -4.363 13.312 3.411 1.00 0.00 C ATOM 354 O LEU A 22 -5.415 12.988 2.858 1.00 0.00 O ATOM 355 CB LEU A 22 -3.270 11.534 4.749 1.00 0.00 C ATOM 356 CG LEU A 22 -2.881 11.089 6.157 1.00 0.00 C ATOM 357 CD1 LEU A 22 -2.092 9.797 6.069 1.00 0.00 C ATOM 358 CD2 LEU A 22 -2.008 12.149 6.826 1.00 0.00 C ATOM 0 H LEU A 22 -5.593 11.701 5.685 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.444 13.601 5.314 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.875 10.765 4.268 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.376 11.664 4.139 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.788 10.945 6.744 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.811 9.473 7.071 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.704 9.028 5.598 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.193 9.960 5.475 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.738 11.818 7.829 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.103 12.299 6.238 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.559 13.087 6.889 1.00 0.00 H new ATOM 370 N ASN A 23 -3.427 14.068 2.832 1.00 0.00 N ATOM 371 CA ASN A 23 -3.599 14.569 1.478 1.00 0.00 C ATOM 372 C ASN A 23 -2.985 13.571 0.496 1.00 0.00 C ATOM 373 O ASN A 23 -2.154 12.746 0.886 1.00 0.00 O ATOM 374 CB ASN A 23 -2.971 15.974 1.350 1.00 0.00 C ATOM 375 CG ASN A 23 -1.522 15.907 0.876 1.00 0.00 C ATOM 376 OD1 ASN A 23 -1.275 15.776 -0.312 1.00 0.00 O ATOM 377 ND2 ASN A 23 -0.548 16.000 1.731 1.00 0.00 N ATOM 0 H ASN A 23 -2.552 14.341 3.279 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.659 14.669 1.242 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.555 16.571 0.649 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.015 16.481 2.314 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.419 15.963 1.408 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -0.750 16.110 2.725 1.00 0.00 H new ATOM 384 N GLY A 24 -3.412 13.635 -0.765 1.00 0.00 N ATOM 385 CA GLY A 24 -2.921 12.711 -1.791 1.00 0.00 C ATOM 386 C GLY A 24 -1.399 12.580 -1.768 1.00 0.00 C ATOM 387 O GLY A 24 -0.868 11.479 -1.889 1.00 0.00 O ATOM 0 H GLY A 24 -4.095 14.314 -1.101 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.371 11.730 -1.639 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.239 13.059 -2.774 1.00 0.00 H new ATOM 391 N VAL A 25 -0.709 13.706 -1.607 1.00 0.00 N ATOM 392 CA VAL A 25 0.753 13.716 -1.569 1.00 0.00 C ATOM 393 C VAL A 25 1.288 13.074 -0.299 1.00 0.00 C ATOM 394 O VAL A 25 2.231 12.293 -0.369 1.00 0.00 O ATOM 395 CB VAL A 25 1.281 15.148 -1.667 1.00 0.00 C ATOM 396 CG1 VAL A 25 2.817 15.140 -1.659 1.00 0.00 C ATOM 397 CG2 VAL A 25 0.775 15.772 -2.968 1.00 0.00 C ATOM 0 H VAL A 25 -1.138 14.625 -1.501 1.00 0.00 H new ATOM 0 HA VAL A 25 1.100 13.135 -2.423 1.00 0.00 H new ATOM 0 HB VAL A 25 0.928 15.729 -0.815 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.187 16.163 -1.729 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.174 14.688 -0.734 1.00 0.00 H new ATOM 0 HG13 VAL A 25 3.182 14.563 -2.509 1.00 0.00 H new ATOM 0 HG21 VAL A 25 1.145 16.794 -3.049 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.134 15.188 -3.815 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.315 15.780 -2.968 1.00 0.00 H new ATOM 407 N GLN A 26 0.710 13.406 0.862 1.00 0.00 N ATOM 408 CA GLN A 26 1.201 12.825 2.105 1.00 0.00 C ATOM 409 C GLN A 26 1.029 11.316 2.094 1.00 0.00 C ATOM 410 O GLN A 26 1.959 10.587 2.432 1.00 0.00 O ATOM 411 CB GLN A 26 0.500 13.450 3.312 1.00 0.00 C ATOM 412 CG GLN A 26 1.434 14.498 3.943 1.00 0.00 C ATOM 413 CD GLN A 26 0.619 15.574 4.632 1.00 0.00 C ATOM 414 OE1 GLN A 26 0.704 16.751 4.283 1.00 0.00 O ATOM 415 NE2 GLN A 26 -0.174 15.234 5.593 1.00 0.00 N ATOM 0 H GLN A 26 -0.072 14.053 0.961 1.00 0.00 H new ATOM 0 HA GLN A 26 2.266 13.043 2.188 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.436 13.916 3.005 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.249 12.681 4.042 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.099 14.018 4.661 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.064 14.945 3.174 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -0.240 14.257 5.878 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.734 15.943 6.067 1.00 0.00 H new ATOM 424 N VAL A 27 -0.140 10.850 1.657 1.00 0.00 N ATOM 425 CA VAL A 27 -0.382 9.407 1.574 1.00 0.00 C ATOM 426 C VAL A 27 0.610 8.797 0.589 1.00 0.00 C ATOM 427 O VAL A 27 1.215 7.756 0.851 1.00 0.00 O ATOM 428 CB VAL A 27 -1.819 9.121 1.108 1.00 0.00 C ATOM 429 CG1 VAL A 27 -2.041 7.607 1.035 1.00 0.00 C ATOM 430 CG2 VAL A 27 -2.817 9.727 2.101 1.00 0.00 C ATOM 0 H VAL A 27 -0.921 11.435 1.360 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.250 8.966 2.562 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.970 9.564 0.124 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.060 7.404 0.705 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.336 7.170 0.328 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.885 7.168 2.021 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.834 9.522 1.766 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.663 9.286 3.086 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.665 10.805 2.158 1.00 0.00 H new ATOM 440 N LYS A 28 0.778 9.492 -0.532 1.00 0.00 N ATOM 441 CA LYS A 28 1.704 9.088 -1.578 1.00 0.00 C ATOM 442 C LYS A 28 3.135 9.073 -1.047 1.00 0.00 C ATOM 443 O LYS A 28 3.941 8.233 -1.438 1.00 0.00 O ATOM 444 CB LYS A 28 1.570 10.077 -2.748 1.00 0.00 C ATOM 445 CG LYS A 28 2.427 9.650 -3.943 1.00 0.00 C ATOM 446 CD LYS A 28 2.621 10.857 -4.869 1.00 0.00 C ATOM 447 CE LYS A 28 1.296 11.213 -5.556 1.00 0.00 C ATOM 448 NZ LYS A 28 0.605 12.286 -4.783 1.00 0.00 N ATOM 0 H LYS A 28 0.273 10.354 -0.739 1.00 0.00 H new ATOM 0 HA LYS A 28 1.468 8.079 -1.917 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.526 10.143 -3.053 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.870 11.073 -2.421 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.393 9.278 -3.601 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.944 8.835 -4.482 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.983 11.710 -4.296 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.379 10.632 -5.619 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.482 11.548 -6.576 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.660 10.330 -5.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.091 12.760 -5.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.119 11.866 -3.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.305 12.980 -4.452 1.00 0.00 H new ATOM 462 N ALA A 29 3.433 10.019 -0.158 1.00 0.00 N ATOM 463 CA ALA A 29 4.755 10.138 0.431 1.00 0.00 C ATOM 464 C ALA A 29 5.010 9.013 1.394 1.00 0.00 C ATOM 465 O ALA A 29 6.085 8.420 1.396 1.00 0.00 O ATOM 466 CB ALA A 29 4.878 11.449 1.180 1.00 0.00 C ATOM 0 H ALA A 29 2.766 10.718 0.169 1.00 0.00 H new ATOM 0 HA ALA A 29 5.485 10.099 -0.377 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.874 11.526 1.617 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.719 12.278 0.491 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.130 11.487 1.972 1.00 0.00 H new ATOM 472 N PHE A 30 4.006 8.717 2.208 1.00 0.00 N ATOM 473 CA PHE A 30 4.122 7.655 3.156 1.00 0.00 C ATOM 474 C PHE A 30 4.301 6.369 2.378 1.00 0.00 C ATOM 475 O PHE A 30 5.117 5.527 2.747 1.00 0.00 O ATOM 476 CB PHE A 30 2.894 7.614 4.064 1.00 0.00 C ATOM 477 CG PHE A 30 2.791 8.908 4.862 1.00 0.00 C ATOM 478 CD1 PHE A 30 3.912 9.408 5.551 1.00 0.00 C ATOM 479 CD2 PHE A 30 1.574 9.617 4.915 1.00 0.00 C ATOM 480 CE1 PHE A 30 3.814 10.596 6.273 1.00 0.00 C ATOM 481 CE2 PHE A 30 1.489 10.804 5.640 1.00 0.00 C ATOM 482 CZ PHE A 30 2.606 11.290 6.315 1.00 0.00 C ATOM 0 H PHE A 30 3.110 9.205 2.219 1.00 0.00 H new ATOM 0 HA PHE A 30 4.981 7.804 3.810 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.994 7.474 3.466 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.962 6.763 4.742 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.848 8.871 5.520 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.707 9.240 4.393 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.675 10.979 6.801 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.556 11.347 5.678 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.536 12.211 6.875 1.00 0.00 H new ATOM 492 N ILE A 31 3.589 6.267 1.242 1.00 0.00 N ATOM 493 CA ILE A 31 3.745 5.115 0.378 1.00 0.00 C ATOM 494 C ILE A 31 5.154 5.109 -0.170 1.00 0.00 C ATOM 495 O ILE A 31 5.832 4.106 -0.114 1.00 0.00 O ATOM 496 CB ILE A 31 2.731 5.122 -0.790 1.00 0.00 C ATOM 497 CG1 ILE A 31 1.376 4.585 -0.278 1.00 0.00 C ATOM 498 CG2 ILE A 31 3.253 4.241 -1.961 1.00 0.00 C ATOM 499 CD1 ILE A 31 0.312 4.667 -1.377 1.00 0.00 C ATOM 0 H ILE A 31 2.916 6.961 0.917 1.00 0.00 H new ATOM 0 HA ILE A 31 3.555 4.217 0.966 1.00 0.00 H new ATOM 0 HB ILE A 31 2.605 6.140 -1.160 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.489 3.552 0.050 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.055 5.161 0.590 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.530 4.254 -2.777 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.206 4.633 -2.315 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.389 3.217 -1.613 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.635 4.284 -0.996 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.186 5.705 -1.685 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.627 4.070 -2.233 1.00 0.00 H new ATOM 511 N ASP A 32 5.575 6.248 -0.694 1.00 0.00 N ATOM 512 CA ASP A 32 6.905 6.368 -1.280 1.00 0.00 C ATOM 513 C ASP A 32 7.983 5.985 -0.275 1.00 0.00 C ATOM 514 O ASP A 32 8.933 5.275 -0.604 1.00 0.00 O ATOM 515 CB ASP A 32 7.128 7.799 -1.780 1.00 0.00 C ATOM 516 CG ASP A 32 8.414 7.869 -2.601 1.00 0.00 C ATOM 517 OD1 ASP A 32 8.353 7.580 -3.786 1.00 0.00 O ATOM 518 OD2 ASP A 32 9.442 8.201 -2.033 1.00 0.00 O ATOM 0 H ASP A 32 5.019 7.102 -0.727 1.00 0.00 H new ATOM 0 HA ASP A 32 6.972 5.680 -2.123 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.281 8.117 -2.387 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.189 8.484 -0.934 1.00 0.00 H new ATOM 523 N SER A 33 7.799 6.440 0.948 1.00 0.00 N ATOM 524 CA SER A 33 8.720 6.137 2.036 1.00 0.00 C ATOM 525 C SER A 33 8.659 4.643 2.356 1.00 0.00 C ATOM 526 O SER A 33 9.671 4.008 2.643 1.00 0.00 O ATOM 527 CB SER A 33 8.336 6.964 3.259 1.00 0.00 C ATOM 528 OG SER A 33 8.478 8.345 2.955 1.00 0.00 O ATOM 0 H SER A 33 7.011 7.028 1.220 1.00 0.00 H new ATOM 0 HA SER A 33 9.740 6.388 1.744 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.308 6.748 3.551 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.970 6.699 4.105 1.00 0.00 H new ATOM 0 HG SER A 33 7.740 8.630 2.377 1.00 0.00 H new ATOM 534 N LEU A 34 7.446 4.105 2.264 1.00 0.00 N ATOM 535 CA LEU A 34 7.175 2.685 2.493 1.00 0.00 C ATOM 536 C LEU A 34 7.944 1.835 1.480 1.00 0.00 C ATOM 537 O LEU A 34 8.681 0.927 1.849 1.00 0.00 O ATOM 538 CB LEU A 34 5.671 2.479 2.305 1.00 0.00 C ATOM 539 CG LEU A 34 4.946 2.346 3.640 1.00 0.00 C ATOM 540 CD1 LEU A 34 3.679 3.204 3.650 1.00 0.00 C ATOM 541 CD2 LEU A 34 4.552 0.897 3.825 1.00 0.00 C ATOM 0 H LEU A 34 6.614 4.646 2.026 1.00 0.00 H new ATOM 0 HA LEU A 34 7.489 2.388 3.494 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.256 3.319 1.748 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.499 1.584 1.707 1.00 0.00 H new ATOM 0 HG LEU A 34 5.605 2.679 4.442 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.175 3.097 4.610 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.946 4.249 3.495 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.012 2.878 2.852 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.031 0.780 4.775 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.894 0.592 3.011 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.446 0.274 3.822 1.00 0.00 H new ATOM 553 N ARG A 35 7.773 2.157 0.203 1.00 0.00 N ATOM 554 CA ARG A 35 8.472 1.427 -0.877 1.00 0.00 C ATOM 555 C ARG A 35 9.982 1.604 -0.725 1.00 0.00 C ATOM 556 O ARG A 35 10.747 0.643 -0.820 1.00 0.00 O ATOM 557 CB ARG A 35 8.064 1.930 -2.281 1.00 0.00 C ATOM 558 CG ARG A 35 6.867 2.877 -2.179 1.00 0.00 C ATOM 559 CD ARG A 35 6.258 3.248 -3.538 1.00 0.00 C ATOM 560 NE ARG A 35 7.009 2.676 -4.637 1.00 0.00 N ATOM 561 CZ ARG A 35 6.653 1.532 -5.197 1.00 0.00 C ATOM 562 NH1 ARG A 35 6.075 0.614 -4.482 1.00 0.00 N ATOM 563 NH2 ARG A 35 6.876 1.334 -6.459 1.00 0.00 N ATOM 0 H ARG A 35 7.165 2.910 -0.120 1.00 0.00 H new ATOM 0 HA ARG A 35 8.189 0.378 -0.789 1.00 0.00 H new ATOM 0 HB2 ARG A 35 8.904 2.444 -2.749 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.813 1.083 -2.919 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.099 2.412 -1.561 1.00 0.00 H new ATOM 0 HG3 ARG A 35 7.178 3.789 -1.669 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.226 2.899 -3.582 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.232 4.333 -3.641 1.00 0.00 H new ATOM 0 HE ARG A 35 7.832 3.167 -4.987 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.897 0.776 -3.491 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.800 -0.269 -4.912 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.325 2.060 -7.018 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.602 0.452 -6.893 1.00 0.00 H new ATOM 577 N ASP A 36 10.387 2.853 -0.479 1.00 0.00 N ATOM 578 CA ASP A 36 11.795 3.194 -0.298 1.00 0.00 C ATOM 579 C ASP A 36 12.364 2.450 0.901 1.00 0.00 C ATOM 580 O ASP A 36 13.528 2.044 0.907 1.00 0.00 O ATOM 581 CB ASP A 36 11.939 4.697 -0.083 1.00 0.00 C ATOM 582 CG ASP A 36 13.415 5.094 -0.068 1.00 0.00 C ATOM 583 OD1 ASP A 36 13.963 5.304 -1.138 1.00 0.00 O ATOM 584 OD2 ASP A 36 13.976 5.177 1.013 1.00 0.00 O ATOM 0 H ASP A 36 9.752 3.648 -0.401 1.00 0.00 H new ATOM 0 HA ASP A 36 12.346 2.902 -1.192 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.419 5.236 -0.875 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.469 4.983 0.858 1.00 0.00 H new ATOM 589 N ASP A 37 11.516 2.276 1.909 1.00 0.00 N ATOM 590 CA ASP A 37 11.900 1.579 3.127 1.00 0.00 C ATOM 591 C ASP A 37 10.673 0.958 3.780 1.00 0.00 C ATOM 592 O ASP A 37 9.934 1.624 4.513 1.00 0.00 O ATOM 593 CB ASP A 37 12.605 2.534 4.102 1.00 0.00 C ATOM 594 CG ASP A 37 13.307 1.740 5.208 1.00 0.00 C ATOM 595 OD1 ASP A 37 12.627 1.028 5.930 1.00 0.00 O ATOM 596 OD2 ASP A 37 14.517 1.854 5.316 1.00 0.00 O ATOM 0 H ASP A 37 10.553 2.611 1.904 1.00 0.00 H new ATOM 0 HA ASP A 37 12.600 0.785 2.867 1.00 0.00 H new ATOM 0 HB2 ASP A 37 13.332 3.143 3.564 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.879 3.218 4.541 1.00 0.00 H new ATOM 601 N PRO A 38 10.438 -0.303 3.513 1.00 0.00 N ATOM 602 CA PRO A 38 9.271 -1.031 4.067 1.00 0.00 C ATOM 603 C PRO A 38 9.375 -1.274 5.565 1.00 0.00 C ATOM 604 O PRO A 38 8.361 -1.337 6.259 1.00 0.00 O ATOM 605 CB PRO A 38 9.232 -2.346 3.299 1.00 0.00 C ATOM 606 CG PRO A 38 10.358 -2.340 2.315 1.00 0.00 C ATOM 607 CD PRO A 38 11.263 -1.167 2.655 1.00 0.00 C ATOM 0 HA PRO A 38 8.359 -0.446 3.949 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.328 -3.190 3.983 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.277 -2.459 2.785 1.00 0.00 H new ATOM 0 HG2 PRO A 38 10.913 -3.277 2.363 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.977 -2.247 1.298 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.163 -1.497 3.173 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.587 -0.642 1.756 1.00 0.00 H new ATOM 615 N SER A 39 10.599 -1.392 6.060 1.00 0.00 N ATOM 616 CA SER A 39 10.812 -1.600 7.486 1.00 0.00 C ATOM 617 C SER A 39 10.263 -0.394 8.243 1.00 0.00 C ATOM 618 O SER A 39 9.844 -0.498 9.397 1.00 0.00 O ATOM 619 CB SER A 39 12.305 -1.773 7.783 1.00 0.00 C ATOM 620 OG SER A 39 12.470 -2.159 9.142 1.00 0.00 O ATOM 0 H SER A 39 11.452 -1.348 5.502 1.00 0.00 H new ATOM 0 HA SER A 39 10.295 -2.505 7.805 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.734 -2.527 7.124 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.837 -0.841 7.590 1.00 0.00 H new ATOM 0 HG SER A 39 13.424 -2.272 9.336 1.00 0.00 H new ATOM 626 N GLN A 40 10.274 0.750 7.555 1.00 0.00 N ATOM 627 CA GLN A 40 9.784 2.003 8.115 1.00 0.00 C ATOM 628 C GLN A 40 8.272 2.151 7.927 1.00 0.00 C ATOM 629 O GLN A 40 7.695 3.139 8.342 1.00 0.00 O ATOM 630 CB GLN A 40 10.489 3.185 7.426 1.00 0.00 C ATOM 631 CG GLN A 40 11.577 3.764 8.335 1.00 0.00 C ATOM 632 CD GLN A 40 12.785 2.830 8.385 1.00 0.00 C ATOM 633 OE1 GLN A 40 12.690 1.712 8.893 1.00 0.00 O ATOM 634 NE2 GLN A 40 13.922 3.222 7.882 1.00 0.00 N ATOM 0 H GLN A 40 10.622 0.830 6.599 1.00 0.00 H new ATOM 0 HA GLN A 40 10.000 1.998 9.183 1.00 0.00 H new ATOM 0 HB2 GLN A 40 10.930 2.855 6.486 1.00 0.00 H new ATOM 0 HB3 GLN A 40 9.761 3.959 7.182 1.00 0.00 H new ATOM 0 HG2 GLN A 40 11.882 4.744 7.968 1.00 0.00 H new ATOM 0 HG3 GLN A 40 11.180 3.909 9.340 1.00 0.00 H new ATOM 0 HE21 GLN A 40 14.001 4.148 7.461 1.00 0.00 H new ATOM 0 HE22 GLN A 40 14.732 2.603 7.909 1.00 0.00 H new ATOM 643 N SER A 41 7.639 1.183 7.282 1.00 0.00 N ATOM 644 CA SER A 41 6.202 1.260 7.012 1.00 0.00 C ATOM 645 C SER A 41 5.397 1.612 8.265 1.00 0.00 C ATOM 646 O SER A 41 4.428 2.369 8.194 1.00 0.00 O ATOM 647 CB SER A 41 5.729 -0.099 6.498 1.00 0.00 C ATOM 648 OG SER A 41 5.854 -1.070 7.532 1.00 0.00 O ATOM 0 H SER A 41 8.091 0.337 6.935 1.00 0.00 H new ATOM 0 HA SER A 41 6.041 2.047 6.275 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.692 -0.034 6.170 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.320 -0.397 5.632 1.00 0.00 H new ATOM 0 HG SER A 41 6.738 -1.490 7.481 1.00 0.00 H new ATOM 654 N ALA A 42 5.823 1.084 9.403 1.00 0.00 N ATOM 655 CA ALA A 42 5.165 1.356 10.673 1.00 0.00 C ATOM 656 C ALA A 42 5.335 2.814 11.047 1.00 0.00 C ATOM 657 O ALA A 42 4.429 3.457 11.574 1.00 0.00 O ATOM 658 CB ALA A 42 5.829 0.524 11.754 1.00 0.00 C ATOM 0 H ALA A 42 6.627 0.460 9.473 1.00 0.00 H new ATOM 0 HA ALA A 42 4.106 1.116 10.581 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.345 0.718 12.711 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.735 -0.534 11.508 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.884 0.789 11.820 1.00 0.00 H new ATOM 664 N ASN A 43 6.532 3.300 10.773 1.00 0.00 N ATOM 665 CA ASN A 43 6.912 4.660 11.067 1.00 0.00 C ATOM 666 C ASN A 43 6.147 5.648 10.196 1.00 0.00 C ATOM 667 O ASN A 43 5.804 6.741 10.620 1.00 0.00 O ATOM 668 CB ASN A 43 8.408 4.787 10.803 1.00 0.00 C ATOM 669 CG ASN A 43 9.204 4.351 12.031 1.00 0.00 C ATOM 670 OD1 ASN A 43 9.181 5.025 13.060 1.00 0.00 O ATOM 671 ND2 ASN A 43 9.911 3.255 11.982 1.00 0.00 N ATOM 0 H ASN A 43 7.272 2.751 10.335 1.00 0.00 H new ATOM 0 HA ASN A 43 6.676 4.891 12.106 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.686 4.174 9.945 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.653 5.819 10.550 1.00 0.00 H new ATOM 0 HD21 ASN A 43 10.446 2.956 12.798 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.929 2.697 11.128 1.00 0.00 H new ATOM 678 N LEU A 44 5.907 5.230 8.974 1.00 0.00 N ATOM 679 CA LEU A 44 5.204 6.021 7.976 1.00 0.00 C ATOM 680 C LEU A 44 3.752 6.043 8.309 1.00 0.00 C ATOM 681 O LEU A 44 3.072 7.059 8.195 1.00 0.00 O ATOM 682 CB LEU A 44 5.492 5.375 6.634 1.00 0.00 C ATOM 683 CG LEU A 44 7.016 5.342 6.523 1.00 0.00 C ATOM 684 CD1 LEU A 44 7.479 4.407 5.428 1.00 0.00 C ATOM 685 CD2 LEU A 44 7.492 6.753 6.292 1.00 0.00 C ATOM 0 H LEU A 44 6.199 4.314 8.634 1.00 0.00 H new ATOM 0 HA LEU A 44 5.532 7.060 7.949 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.072 4.371 6.582 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.050 5.948 5.819 1.00 0.00 H new ATOM 0 HG LEU A 44 7.446 4.952 7.446 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.568 4.412 5.382 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.130 3.397 5.640 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.074 4.738 4.472 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.579 6.761 6.208 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.054 7.138 5.371 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.188 7.381 7.129 1.00 0.00 H new ATOM 697 N LEU A 45 3.331 4.914 8.807 1.00 0.00 N ATOM 698 CA LEU A 45 1.980 4.754 9.291 1.00 0.00 C ATOM 699 C LEU A 45 1.838 5.661 10.505 1.00 0.00 C ATOM 700 O LEU A 45 0.822 6.316 10.707 1.00 0.00 O ATOM 701 CB LEU A 45 1.741 3.286 9.666 1.00 0.00 C ATOM 702 CG LEU A 45 0.495 3.146 10.548 1.00 0.00 C ATOM 703 CD1 LEU A 45 -0.729 3.726 9.830 1.00 0.00 C ATOM 704 CD2 LEU A 45 0.273 1.664 10.852 1.00 0.00 C ATOM 0 H LEU A 45 3.910 4.078 8.891 1.00 0.00 H new ATOM 0 HA LEU A 45 1.244 5.022 8.533 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.621 2.690 8.761 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.611 2.894 10.193 1.00 0.00 H new ATOM 0 HG LEU A 45 0.639 3.696 11.478 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.608 3.621 10.466 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.560 4.781 9.617 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.891 3.189 8.896 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.611 1.550 11.479 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.129 1.119 9.919 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.143 1.266 11.375 1.00 0.00 H new ATOM 716 N ALA A 46 2.909 5.704 11.284 1.00 0.00 N ATOM 717 CA ALA A 46 2.973 6.536 12.470 1.00 0.00 C ATOM 718 C ALA A 46 2.913 7.993 12.077 1.00 0.00 C ATOM 719 O ALA A 46 2.173 8.790 12.656 1.00 0.00 O ATOM 720 CB ALA A 46 4.290 6.297 13.201 1.00 0.00 C ATOM 0 H ALA A 46 3.756 5.163 11.109 1.00 0.00 H new ATOM 0 HA ALA A 46 2.132 6.283 13.116 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.331 6.925 14.091 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.359 5.249 13.493 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.122 6.546 12.542 1.00 0.00 H new ATOM 726 N GLU A 47 3.704 8.311 11.066 1.00 0.00 N ATOM 727 CA GLU A 47 3.778 9.644 10.537 1.00 0.00 C ATOM 728 C GLU A 47 2.449 10.034 9.949 1.00 0.00 C ATOM 729 O GLU A 47 2.018 11.169 10.055 1.00 0.00 O ATOM 730 CB GLU A 47 4.819 9.672 9.429 1.00 0.00 C ATOM 731 CG GLU A 47 6.241 9.767 9.978 1.00 0.00 C ATOM 732 CD GLU A 47 6.370 10.897 11.008 1.00 0.00 C ATOM 733 OE1 GLU A 47 6.028 12.024 10.678 1.00 0.00 O ATOM 734 OE2 GLU A 47 6.806 10.618 12.112 1.00 0.00 O ATOM 0 H GLU A 47 4.312 7.642 10.594 1.00 0.00 H new ATOM 0 HA GLU A 47 4.044 10.336 11.336 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.725 8.772 8.821 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.627 10.521 8.773 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.519 8.819 10.439 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.938 9.939 9.158 1.00 0.00 H new ATOM 741 N ALA A 48 1.813 9.065 9.324 1.00 0.00 N ATOM 742 CA ALA A 48 0.539 9.283 8.709 1.00 0.00 C ATOM 743 C ALA A 48 -0.506 9.528 9.770 1.00 0.00 C ATOM 744 O ALA A 48 -1.278 10.472 9.674 1.00 0.00 O ATOM 745 CB ALA A 48 0.208 8.059 7.898 1.00 0.00 C ATOM 0 H ALA A 48 2.169 8.114 9.233 1.00 0.00 H new ATOM 0 HA ALA A 48 0.563 10.159 8.061 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.760 8.193 7.415 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.975 7.908 7.138 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.169 7.188 8.553 1.00 0.00 H new ATOM 751 N LYS A 49 -0.487 8.699 10.811 1.00 0.00 N ATOM 752 CA LYS A 49 -1.407 8.876 11.923 1.00 0.00 C ATOM 753 C LYS A 49 -1.153 10.238 12.540 1.00 0.00 C ATOM 754 O LYS A 49 -2.069 10.882 13.032 1.00 0.00 O ATOM 755 CB LYS A 49 -1.215 7.769 12.971 1.00 0.00 C ATOM 756 CG LYS A 49 -1.681 6.416 12.405 1.00 0.00 C ATOM 757 CD LYS A 49 -3.215 6.345 12.387 1.00 0.00 C ATOM 758 CE LYS A 49 -3.662 4.987 11.836 1.00 0.00 C ATOM 759 NZ LYS A 49 -5.151 4.919 11.824 1.00 0.00 N ATOM 0 H LYS A 49 0.149 7.907 10.905 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.434 8.814 11.563 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.166 7.709 13.259 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.780 8.009 13.872 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.292 6.283 11.395 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.280 5.603 13.010 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -3.607 6.487 13.394 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.619 7.149 11.772 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.273 4.846 10.827 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.256 4.183 12.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.453 3.924 11.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -5.526 5.374 12.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.514 5.412 10.983 1.00 0.00 H new ATOM 773 N LYS A 50 0.106 10.678 12.474 1.00 0.00 N ATOM 774 CA LYS A 50 0.484 11.968 13.001 1.00 0.00 C ATOM 775 C LYS A 50 -0.009 13.073 12.090 1.00 0.00 C ATOM 776 O LYS A 50 -0.528 14.091 12.551 1.00 0.00 O ATOM 777 CB LYS A 50 2.010 12.026 13.144 1.00 0.00 C ATOM 778 CG LYS A 50 2.446 13.301 13.878 1.00 0.00 C ATOM 779 CD LYS A 50 3.881 13.654 13.465 1.00 0.00 C ATOM 780 CE LYS A 50 4.873 12.668 14.095 1.00 0.00 C ATOM 781 NZ LYS A 50 6.248 12.968 13.603 1.00 0.00 N ATOM 0 H LYS A 50 0.873 10.150 12.058 1.00 0.00 H new ATOM 0 HA LYS A 50 0.027 12.109 13.980 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.361 11.150 13.690 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.473 11.994 12.158 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.772 14.123 13.636 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.391 13.151 14.956 1.00 0.00 H new ATOM 0 HD2 LYS A 50 3.971 13.628 12.379 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.118 14.670 13.780 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.839 12.745 15.182 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.598 11.645 13.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.655 12.115 13.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.205 13.730 12.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.844 13.268 14.401 1.00 0.00 H new ATOM 795 N LEU A 51 0.155 12.855 10.796 1.00 0.00 N ATOM 796 CA LEU A 51 -0.272 13.824 9.808 1.00 0.00 C ATOM 797 C LEU A 51 -1.785 13.883 9.771 1.00 0.00 C ATOM 798 O LEU A 51 -2.376 14.958 9.685 1.00 0.00 O ATOM 799 CB LEU A 51 0.277 13.464 8.420 1.00 0.00 C ATOM 800 CG LEU A 51 1.596 14.202 8.141 1.00 0.00 C ATOM 801 CD1 LEU A 51 1.414 15.715 8.325 1.00 0.00 C ATOM 802 CD2 LEU A 51 2.703 13.688 9.074 1.00 0.00 C ATOM 0 H LEU A 51 0.582 12.014 10.408 1.00 0.00 H new ATOM 0 HA LEU A 51 0.120 14.802 10.087 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.438 12.388 8.357 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.457 13.722 7.657 1.00 0.00 H new ATOM 0 HG LEU A 51 1.887 14.008 7.109 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.358 16.222 8.124 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.653 16.077 7.634 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.102 15.922 9.349 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.631 14.220 8.865 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.413 13.858 10.111 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.851 12.621 8.909 1.00 0.00 H new ATOM 814 N ASN A 52 -2.394 12.709 9.853 1.00 0.00 N ATOM 815 CA ASN A 52 -3.831 12.592 9.852 1.00 0.00 C ATOM 816 C ASN A 52 -4.395 13.278 11.077 1.00 0.00 C ATOM 817 O ASN A 52 -5.356 14.041 10.991 1.00 0.00 O ATOM 818 CB ASN A 52 -4.213 11.120 9.882 1.00 0.00 C ATOM 819 CG ASN A 52 -5.722 10.969 9.916 1.00 0.00 C ATOM 820 OD1 ASN A 52 -6.356 10.953 8.872 1.00 0.00 O ATOM 821 ND2 ASN A 52 -6.335 10.859 11.062 1.00 0.00 N ATOM 0 H ASN A 52 -1.901 11.818 9.922 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.234 13.061 8.954 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.810 10.615 9.005 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.773 10.641 10.756 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -7.350 10.759 11.090 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.800 10.873 11.930 1.00 0.00 H new ATOM 828 N ASP A 53 -3.771 13.000 12.220 1.00 0.00 N ATOM 829 CA ASP A 53 -4.200 13.594 13.471 1.00 0.00 C ATOM 830 C ASP A 53 -4.007 15.103 13.423 1.00 0.00 C ATOM 831 O ASP A 53 -4.859 15.865 13.884 1.00 0.00 O ATOM 832 CB ASP A 53 -3.421 12.996 14.650 1.00 0.00 C ATOM 833 CG ASP A 53 -3.841 11.541 14.928 1.00 0.00 C ATOM 834 OD1 ASP A 53 -4.781 11.062 14.305 1.00 0.00 O ATOM 835 OD2 ASP A 53 -3.203 10.921 15.763 1.00 0.00 O ATOM 0 H ASP A 53 -2.972 12.371 12.299 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.258 13.376 13.614 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.353 13.032 14.437 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.589 13.600 15.542 1.00 0.00 H new ATOM 840 N ALA A 54 -2.885 15.521 12.841 1.00 0.00 N ATOM 841 CA ALA A 54 -2.576 16.932 12.703 1.00 0.00 C ATOM 842 C ALA A 54 -3.585 17.592 11.768 1.00 0.00 C ATOM 843 O ALA A 54 -4.011 18.726 11.997 1.00 0.00 O ATOM 844 CB ALA A 54 -1.163 17.092 12.138 1.00 0.00 C ATOM 0 H ALA A 54 -2.176 14.896 12.458 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.630 17.412 13.680 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.931 18.152 12.034 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.446 16.628 12.815 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.105 16.610 11.162 1.00 0.00 H new ATOM 850 N GLN A 55 -3.965 16.859 10.719 1.00 0.00 N ATOM 851 CA GLN A 55 -4.931 17.351 9.741 1.00 0.00 C ATOM 852 C GLN A 55 -6.367 17.078 10.195 1.00 0.00 C ATOM 853 O GLN A 55 -7.323 17.456 9.514 1.00 0.00 O ATOM 854 CB GLN A 55 -4.662 16.672 8.399 1.00 0.00 C ATOM 855 CG GLN A 55 -3.385 17.252 7.782 1.00 0.00 C ATOM 856 CD GLN A 55 -2.944 16.397 6.604 1.00 0.00 C ATOM 857 OE1 GLN A 55 -2.989 16.836 5.456 1.00 0.00 O ATOM 858 NE2 GLN A 55 -2.521 15.189 6.826 1.00 0.00 N ATOM 0 H GLN A 55 -3.616 15.920 10.527 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.818 18.431 9.642 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.556 15.596 8.538 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.506 16.824 7.726 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.562 18.276 7.453 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.594 17.290 8.531 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.485 14.828 7.779 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.225 14.601 6.047 1.00 0.00 H new ATOM 867 N ALA A 56 -6.510 16.425 11.351 1.00 0.00 N ATOM 868 CA ALA A 56 -7.831 16.110 11.895 1.00 0.00 C ATOM 869 C ALA A 56 -8.526 17.372 12.382 1.00 0.00 C ATOM 870 O ALA A 56 -7.897 18.424 12.516 1.00 0.00 O ATOM 871 CB ALA A 56 -7.707 15.106 13.047 1.00 0.00 C ATOM 0 H ALA A 56 -5.730 16.106 11.926 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.430 15.666 11.100 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.698 14.881 13.442 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.245 14.189 12.682 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.090 15.533 13.837 1.00 0.00 H new ATOM 877 N PRO A 57 -9.810 17.293 12.635 1.00 0.00 N ATOM 878 CA PRO A 57 -10.620 18.445 13.104 1.00 0.00 C ATOM 879 C PRO A 57 -10.477 18.672 14.609 1.00 0.00 C ATOM 880 O PRO A 57 -11.388 19.179 15.266 1.00 0.00 O ATOM 881 CB PRO A 57 -12.055 18.046 12.706 1.00 0.00 C ATOM 882 CG PRO A 57 -11.962 16.710 12.040 1.00 0.00 C ATOM 883 CD PRO A 57 -10.662 16.108 12.513 1.00 0.00 C ATOM 0 HA PRO A 57 -10.308 19.393 12.665 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -12.700 17.997 13.583 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -12.489 18.785 12.032 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -12.808 16.078 12.311 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -11.975 16.812 10.955 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -10.775 15.586 13.463 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -10.261 15.388 11.799 1.00 0.00 H new ATOM 891 N LYS A 58 -9.307 18.297 15.119 1.00 0.00 N ATOM 892 CA LYS A 58 -8.970 18.440 16.539 1.00 0.00 C ATOM 893 C LYS A 58 -10.099 17.905 17.440 1.00 0.00 C ATOM 894 O LYS A 58 -10.880 18.699 17.946 1.00 0.00 O ATOM 895 CB LYS A 58 -8.644 19.907 16.856 1.00 0.00 C ATOM 896 CG LYS A 58 -7.170 20.204 16.525 1.00 0.00 C ATOM 897 CD LYS A 58 -7.012 20.516 15.025 1.00 0.00 C ATOM 898 CE LYS A 58 -5.743 19.849 14.480 1.00 0.00 C ATOM 899 NZ LYS A 58 -5.953 18.375 14.384 1.00 0.00 N ATOM 900 OXT LYS A 58 -10.166 16.698 17.600 1.00 0.00 O ATOM 0 H LYS A 58 -8.561 17.883 14.560 1.00 0.00 H new ATOM 0 HA LYS A 58 -8.085 17.838 16.748 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -9.294 20.565 16.279 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -8.837 20.111 17.909 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.820 21.049 17.118 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.550 19.348 16.793 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.884 20.159 14.477 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.960 21.594 14.873 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.499 20.256 13.499 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.898 20.064 15.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.032 17.897 14.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.454 18.040 15.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.520 18.159 13.539 1.00 0.00 H new TER 914 LYS A 58 ATOM 915 N VAL B 1 -12.407 -7.873 7.742 1.00 0.00 N ATOM 916 CA VAL B 1 -13.575 -6.953 7.606 1.00 0.00 C ATOM 917 C VAL B 1 -14.187 -7.137 6.219 1.00 0.00 C ATOM 918 O VAL B 1 -15.375 -7.438 6.088 1.00 0.00 O ATOM 919 CB VAL B 1 -13.110 -5.498 7.800 1.00 0.00 C ATOM 920 CG1 VAL B 1 -14.320 -4.554 7.761 1.00 0.00 C ATOM 921 CG2 VAL B 1 -12.399 -5.357 9.154 1.00 0.00 C ATOM 0 H1 VAL B 1 -12.203 -8.029 8.750 1.00 0.00 H new ATOM 0 H2 VAL B 1 -12.627 -8.783 7.289 1.00 0.00 H new ATOM 0 H3 VAL B 1 -11.576 -7.449 7.282 1.00 0.00 H new ATOM 0 HA VAL B 1 -14.324 -7.181 8.364 1.00 0.00 H new ATOM 0 HB VAL B 1 -12.421 -5.236 6.997 1.00 0.00 H new ATOM 0 HG11 VAL B 1 -13.984 -3.526 7.899 1.00 0.00 H new ATOM 0 HG12 VAL B 1 -14.822 -4.646 6.798 1.00 0.00 H new ATOM 0 HG13 VAL B 1 -15.014 -4.819 8.559 1.00 0.00 H new ATOM 0 HG21 VAL B 1 -12.072 -4.326 9.287 1.00 0.00 H new ATOM 0 HG22 VAL B 1 -13.087 -5.626 9.956 1.00 0.00 H new ATOM 0 HG23 VAL B 1 -11.533 -6.019 9.181 1.00 0.00 H new ATOM 933 N ASP B 2 -13.357 -6.961 5.190 1.00 0.00 N ATOM 934 CA ASP B 2 -13.795 -7.112 3.804 1.00 0.00 C ATOM 935 C ASP B 2 -13.847 -8.599 3.428 1.00 0.00 C ATOM 936 O ASP B 2 -14.020 -9.456 4.300 1.00 0.00 O ATOM 937 CB ASP B 2 -12.830 -6.351 2.876 1.00 0.00 C ATOM 938 CG ASP B 2 -11.410 -6.904 3.017 1.00 0.00 C ATOM 939 OD1 ASP B 2 -10.725 -6.490 3.937 1.00 0.00 O ATOM 940 OD2 ASP B 2 -11.030 -7.738 2.207 1.00 0.00 O ATOM 0 H ASP B 2 -12.373 -6.713 5.293 1.00 0.00 H new ATOM 0 HA ASP B 2 -14.796 -6.695 3.691 1.00 0.00 H new ATOM 0 HB2 ASP B 2 -13.162 -6.442 1.842 1.00 0.00 H new ATOM 0 HB3 ASP B 2 -12.840 -5.289 3.122 1.00 0.00 H new ATOM 945 N ASN B 3 -13.691 -8.896 2.134 1.00 0.00 N ATOM 946 CA ASN B 3 -13.710 -10.274 1.645 1.00 0.00 C ATOM 947 C ASN B 3 -12.653 -11.115 2.374 1.00 0.00 C ATOM 948 O ASN B 3 -11.804 -10.572 3.086 1.00 0.00 O ATOM 949 CB ASN B 3 -13.434 -10.270 0.134 1.00 0.00 C ATOM 950 CG ASN B 3 -13.613 -11.666 -0.455 1.00 0.00 C ATOM 951 OD1 ASN B 3 -12.651 -12.267 -0.930 1.00 0.00 O ATOM 952 ND2 ASN B 3 -14.792 -12.223 -0.449 1.00 0.00 N ATOM 0 H ASN B 3 -13.550 -8.196 1.406 1.00 0.00 H new ATOM 0 HA ASN B 3 -14.688 -10.715 1.839 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -14.109 -9.572 -0.361 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -12.419 -9.919 -0.054 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -14.917 -13.158 -0.838 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -15.590 -11.724 -0.055 1.00 0.00 H new ATOM 959 N LYS B 4 -12.710 -12.440 2.191 1.00 0.00 N ATOM 960 CA LYS B 4 -11.751 -13.341 2.840 1.00 0.00 C ATOM 961 C LYS B 4 -10.318 -12.921 2.513 1.00 0.00 C ATOM 962 O LYS B 4 -9.379 -13.244 3.244 1.00 0.00 O ATOM 963 CB LYS B 4 -12.013 -14.795 2.420 1.00 0.00 C ATOM 964 CG LYS B 4 -11.658 -14.999 0.945 1.00 0.00 C ATOM 965 CD LYS B 4 -12.081 -16.400 0.498 1.00 0.00 C ATOM 966 CE LYS B 4 -13.605 -16.457 0.361 1.00 0.00 C ATOM 967 NZ LYS B 4 -13.986 -17.635 -0.469 1.00 0.00 N ATOM 0 H LYS B 4 -13.402 -12.908 1.606 1.00 0.00 H new ATOM 0 HA LYS B 4 -11.883 -13.274 3.920 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -11.423 -15.471 3.039 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -13.061 -15.044 2.586 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -12.157 -14.247 0.334 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -10.586 -14.869 0.798 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -11.611 -16.646 -0.454 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -11.743 -17.141 1.222 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -14.067 -16.528 1.346 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -13.974 -15.540 -0.099 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -15.021 -17.674 -0.562 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -13.556 -17.549 -1.412 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -13.647 -18.506 -0.013 1.00 0.00 H new ATOM 981 N PHE B 5 -10.175 -12.184 1.415 1.00 0.00 N ATOM 982 CA PHE B 5 -8.885 -11.685 0.978 1.00 0.00 C ATOM 983 C PHE B 5 -8.390 -10.552 1.868 1.00 0.00 C ATOM 984 O PHE B 5 -7.381 -9.959 1.569 1.00 0.00 O ATOM 985 CB PHE B 5 -8.983 -11.192 -0.472 1.00 0.00 C ATOM 986 CG PHE B 5 -8.846 -12.369 -1.400 1.00 0.00 C ATOM 987 CD1 PHE B 5 -9.748 -13.429 -1.301 1.00 0.00 C ATOM 988 CD2 PHE B 5 -7.818 -12.405 -2.348 1.00 0.00 C ATOM 989 CE1 PHE B 5 -9.623 -14.533 -2.147 1.00 0.00 C ATOM 990 CE2 PHE B 5 -7.693 -13.507 -3.198 1.00 0.00 C ATOM 991 CZ PHE B 5 -8.595 -14.572 -3.096 1.00 0.00 C ATOM 0 H PHE B 5 -10.951 -11.919 0.808 1.00 0.00 H new ATOM 0 HA PHE B 5 -8.170 -12.505 1.046 1.00 0.00 H new ATOM 0 HB2 PHE B 5 -9.938 -10.692 -0.636 1.00 0.00 H new ATOM 0 HB3 PHE B 5 -8.201 -10.460 -0.674 1.00 0.00 H new ATOM 0 HD1 PHE B 5 -10.543 -13.396 -0.570 1.00 0.00 H new ATOM 0 HD2 PHE B 5 -7.122 -11.582 -2.423 1.00 0.00 H new ATOM 0 HE1 PHE B 5 -10.319 -15.356 -2.069 1.00 0.00 H new ATOM 0 HE2 PHE B 5 -6.902 -13.537 -3.932 1.00 0.00 H new ATOM 0 HZ PHE B 5 -8.498 -15.425 -3.751 1.00 0.00 H new ATOM 1001 N ASN B 6 -9.081 -10.258 2.968 1.00 0.00 N ATOM 1002 CA ASN B 6 -8.627 -9.186 3.868 1.00 0.00 C ATOM 1003 C ASN B 6 -7.175 -9.438 4.276 1.00 0.00 C ATOM 1004 O ASN B 6 -6.376 -8.510 4.334 1.00 0.00 O ATOM 1005 CB ASN B 6 -9.540 -9.088 5.106 1.00 0.00 C ATOM 1006 CG ASN B 6 -9.518 -10.372 5.945 1.00 0.00 C ATOM 1007 OD1 ASN B 6 -9.778 -10.323 7.147 1.00 0.00 O ATOM 1008 ND2 ASN B 6 -9.232 -11.519 5.393 1.00 0.00 N ATOM 0 H ASN B 6 -9.937 -10.731 3.258 1.00 0.00 H new ATOM 0 HA ASN B 6 -8.683 -8.233 3.342 1.00 0.00 H new ATOM 0 HB2 ASN B 6 -9.223 -8.247 5.723 1.00 0.00 H new ATOM 0 HB3 ASN B 6 -10.562 -8.882 4.787 1.00 0.00 H new ATOM 0 HD21 ASN B 6 -9.225 -12.369 5.957 1.00 0.00 H new ATOM 0 HD22 ASN B 6 -9.016 -11.566 4.397 1.00 0.00 H new ATOM 1015 N LYS B 7 -6.841 -10.709 4.491 1.00 0.00 N ATOM 1016 CA LYS B 7 -5.480 -11.110 4.825 1.00 0.00 C ATOM 1017 C LYS B 7 -4.601 -11.010 3.578 1.00 0.00 C ATOM 1018 O LYS B 7 -3.504 -10.452 3.608 1.00 0.00 O ATOM 1019 CB LYS B 7 -5.499 -12.563 5.330 1.00 0.00 C ATOM 1020 CG LYS B 7 -4.072 -13.068 5.596 1.00 0.00 C ATOM 1021 CD LYS B 7 -4.117 -14.566 5.931 1.00 0.00 C ATOM 1022 CE LYS B 7 -2.696 -15.136 5.990 1.00 0.00 C ATOM 1023 NZ LYS B 7 -2.056 -15.021 4.646 1.00 0.00 N ATOM 0 H LYS B 7 -7.503 -11.484 4.439 1.00 0.00 H new ATOM 0 HA LYS B 7 -5.079 -10.457 5.600 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -6.088 -12.627 6.245 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -5.984 -13.203 4.593 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -3.445 -12.898 4.721 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -3.625 -12.513 6.421 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -4.618 -14.718 6.887 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -4.699 -15.097 5.178 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -2.107 -14.597 6.732 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -2.724 -16.180 6.303 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -1.647 -15.939 4.376 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -2.770 -14.740 3.944 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -1.304 -14.304 4.680 1.00 0.00 H new ATOM 1037 N GLU B 8 -5.120 -11.581 2.493 1.00 0.00 N ATOM 1038 CA GLU B 8 -4.434 -11.615 1.202 1.00 0.00 C ATOM 1039 C GLU B 8 -4.247 -10.215 0.616 1.00 0.00 C ATOM 1040 O GLU B 8 -3.277 -9.951 -0.099 1.00 0.00 O ATOM 1041 CB GLU B 8 -5.272 -12.461 0.223 1.00 0.00 C ATOM 1042 CG GLU B 8 -5.438 -13.896 0.760 1.00 0.00 C ATOM 1043 CD GLU B 8 -4.091 -14.475 1.208 1.00 0.00 C ATOM 1044 OE1 GLU B 8 -3.213 -14.606 0.372 1.00 0.00 O ATOM 1045 OE2 GLU B 8 -3.955 -14.762 2.389 1.00 0.00 O ATOM 0 H GLU B 8 -6.033 -12.036 2.484 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.445 -12.048 1.352 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -6.251 -12.003 0.082 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -4.788 -12.485 -0.753 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -6.135 -13.896 1.598 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -5.871 -14.530 -0.014 1.00 0.00 H new ATOM 1052 N ARG B 9 -5.195 -9.338 0.915 1.00 0.00 N ATOM 1053 CA ARG B 9 -5.185 -7.978 0.425 1.00 0.00 C ATOM 1054 C ARG B 9 -4.012 -7.218 1.017 1.00 0.00 C ATOM 1055 O ARG B 9 -3.317 -6.503 0.314 1.00 0.00 O ATOM 1056 CB ARG B 9 -6.499 -7.295 0.823 1.00 0.00 C ATOM 1057 CG ARG B 9 -6.555 -5.862 0.277 1.00 0.00 C ATOM 1058 CD ARG B 9 -7.624 -5.079 1.036 1.00 0.00 C ATOM 1059 NE ARG B 9 -7.199 -4.900 2.421 1.00 0.00 N ATOM 1060 CZ ARG B 9 -8.046 -5.045 3.431 1.00 0.00 C ATOM 1061 NH1 ARG B 9 -9.006 -4.183 3.608 1.00 0.00 N ATOM 1062 NH2 ARG B 9 -7.910 -6.048 4.250 1.00 0.00 N ATOM 0 H ARG B 9 -5.995 -9.557 1.508 1.00 0.00 H new ATOM 0 HA ARG B 9 -5.085 -7.984 -0.660 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -7.343 -7.868 0.439 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -6.592 -7.279 1.909 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -5.584 -5.379 0.389 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -6.784 -5.874 -0.789 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -7.784 -4.109 0.565 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -8.574 -5.611 1.001 1.00 0.00 H new ATOM 0 HE ARG B 9 -6.228 -4.658 2.616 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -9.108 -3.394 2.969 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -9.656 -4.296 4.386 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -7.154 -6.719 4.114 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -8.560 -6.163 5.028 1.00 0.00 H new ATOM 1076 N VAL B 10 -3.806 -7.391 2.321 1.00 0.00 N ATOM 1077 CA VAL B 10 -2.726 -6.700 3.021 1.00 0.00 C ATOM 1078 C VAL B 10 -1.386 -7.031 2.380 1.00 0.00 C ATOM 1079 O VAL B 10 -0.523 -6.165 2.249 1.00 0.00 O ATOM 1080 CB VAL B 10 -2.705 -7.102 4.503 1.00 0.00 C ATOM 1081 CG1 VAL B 10 -1.699 -6.230 5.263 1.00 0.00 C ATOM 1082 CG2 VAL B 10 -4.118 -6.978 5.121 1.00 0.00 C ATOM 0 H VAL B 10 -4.370 -8.001 2.912 1.00 0.00 H new ATOM 0 HA VAL B 10 -2.901 -5.627 2.948 1.00 0.00 H new ATOM 0 HB VAL B 10 -2.395 -8.144 4.583 1.00 0.00 H new ATOM 0 HG11 VAL B 10 -1.688 -6.519 6.314 1.00 0.00 H new ATOM 0 HG12 VAL B 10 -0.705 -6.367 4.838 1.00 0.00 H new ATOM 0 HG13 VAL B 10 -1.988 -5.183 5.178 1.00 0.00 H new ATOM 0 HG21 VAL B 10 -4.082 -7.267 6.171 1.00 0.00 H new ATOM 0 HG22 VAL B 10 -4.461 -5.947 5.040 1.00 0.00 H new ATOM 0 HG23 VAL B 10 -4.807 -7.633 4.588 1.00 0.00 H new ATOM 1092 N ILE B 11 -1.229 -8.284 1.971 1.00 0.00 N ATOM 1093 CA ILE B 11 0.002 -8.715 1.328 1.00 0.00 C ATOM 1094 C ILE B 11 0.121 -8.093 -0.062 1.00 0.00 C ATOM 1095 O ILE B 11 1.206 -7.683 -0.459 1.00 0.00 O ATOM 1096 CB ILE B 11 0.057 -10.244 1.263 1.00 0.00 C ATOM 1097 CG1 ILE B 11 -0.215 -10.797 2.681 1.00 0.00 C ATOM 1098 CG2 ILE B 11 1.450 -10.687 0.767 1.00 0.00 C ATOM 1099 CD1 ILE B 11 0.481 -12.148 2.891 1.00 0.00 C ATOM 0 H ILE B 11 -1.934 -9.014 2.073 1.00 0.00 H new ATOM 0 HA ILE B 11 0.851 -8.373 1.920 1.00 0.00 H new ATOM 0 HB ILE B 11 -0.692 -10.628 0.571 1.00 0.00 H new ATOM 0 HG12 ILE B 11 0.137 -10.084 3.426 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -1.289 -10.911 2.830 1.00 0.00 H new ATOM 0 HG21 ILE B 11 1.490 -11.775 0.720 1.00 0.00 H new ATOM 0 HG22 ILE B 11 1.631 -10.274 -0.225 1.00 0.00 H new ATOM 0 HG23 ILE B 11 2.214 -10.325 1.455 1.00 0.00 H new ATOM 0 HD11 ILE B 11 0.272 -12.513 3.897 1.00 0.00 H new ATOM 0 HD12 ILE B 11 0.109 -12.866 2.160 1.00 0.00 H new ATOM 0 HD13 ILE B 11 1.557 -12.026 2.765 1.00 0.00 H new ATOM 1111 N ALA B 12 -1.006 -8.002 -0.786 1.00 0.00 N ATOM 1112 CA ALA B 12 -1.016 -7.398 -2.114 1.00 0.00 C ATOM 1113 C ALA B 12 -0.693 -5.937 -2.007 1.00 0.00 C ATOM 1114 O ALA B 12 0.118 -5.439 -2.773 1.00 0.00 O ATOM 1115 CB ALA B 12 -2.386 -7.560 -2.761 1.00 0.00 C ATOM 0 H ALA B 12 -1.915 -8.340 -0.470 1.00 0.00 H new ATOM 0 HA ALA B 12 -0.268 -7.899 -2.729 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -2.377 -7.104 -3.751 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -2.622 -8.620 -2.852 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -3.140 -7.072 -2.144 1.00 0.00 H new ATOM 1121 N ILE B 13 -1.292 -5.270 -1.019 1.00 0.00 N ATOM 1122 CA ILE B 13 -1.022 -3.859 -0.800 1.00 0.00 C ATOM 1123 C ILE B 13 0.474 -3.721 -0.600 1.00 0.00 C ATOM 1124 O ILE B 13 1.091 -2.810 -1.116 1.00 0.00 O ATOM 1125 CB ILE B 13 -1.768 -3.362 0.455 1.00 0.00 C ATOM 1126 CG1 ILE B 13 -3.280 -3.504 0.289 1.00 0.00 C ATOM 1127 CG2 ILE B 13 -1.474 -1.887 0.709 1.00 0.00 C ATOM 1128 CD1 ILE B 13 -3.938 -3.334 1.642 1.00 0.00 C ATOM 0 H ILE B 13 -1.959 -5.683 -0.368 1.00 0.00 H new ATOM 0 HA ILE B 13 -1.361 -3.264 -1.648 1.00 0.00 H new ATOM 0 HB ILE B 13 -1.422 -3.971 1.290 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -3.655 -2.756 -0.410 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -3.524 -4.481 -0.129 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -2.010 -1.557 1.599 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -0.403 -1.750 0.859 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -1.798 -1.298 -0.149 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -5.018 -3.433 1.536 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -3.568 -4.099 2.325 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -3.702 -2.347 2.040 1.00 0.00 H new ATOM 1140 N GLY B 14 1.036 -4.679 0.127 1.00 0.00 N ATOM 1141 CA GLY B 14 2.470 -4.717 0.385 1.00 0.00 C ATOM 1142 C GLY B 14 3.257 -5.063 -0.868 1.00 0.00 C ATOM 1143 O GLY B 14 4.335 -4.528 -1.098 1.00 0.00 O ATOM 0 H GLY B 14 0.515 -5.446 0.552 1.00 0.00 H new ATOM 0 HA2 GLY B 14 2.797 -3.749 0.765 1.00 0.00 H new ATOM 0 HA3 GLY B 14 2.681 -5.452 1.162 1.00 0.00 H new ATOM 1147 N GLU B 15 2.717 -5.978 -1.664 1.00 0.00 N ATOM 1148 CA GLU B 15 3.388 -6.420 -2.867 1.00 0.00 C ATOM 1149 C GLU B 15 3.516 -5.269 -3.829 1.00 0.00 C ATOM 1150 O GLU B 15 4.562 -5.103 -4.448 1.00 0.00 O ATOM 1151 CB GLU B 15 2.612 -7.572 -3.488 1.00 0.00 C ATOM 1152 CG GLU B 15 3.501 -8.343 -4.494 1.00 0.00 C ATOM 1153 CD GLU B 15 4.714 -8.970 -3.790 1.00 0.00 C ATOM 1154 OE1 GLU B 15 4.575 -9.395 -2.651 1.00 0.00 O ATOM 1155 OE2 GLU B 15 5.768 -9.007 -4.401 1.00 0.00 O ATOM 0 H GLU B 15 1.816 -6.425 -1.493 1.00 0.00 H new ATOM 0 HA GLU B 15 4.390 -6.773 -2.624 1.00 0.00 H new ATOM 0 HB2 GLU B 15 2.266 -8.248 -2.707 1.00 0.00 H new ATOM 0 HB3 GLU B 15 1.726 -7.190 -3.995 1.00 0.00 H new ATOM 0 HG2 GLU B 15 2.914 -9.123 -4.979 1.00 0.00 H new ATOM 0 HG3 GLU B 15 3.841 -7.666 -5.278 1.00 0.00 H new ATOM 1162 N ILE B 16 2.468 -4.449 -3.934 1.00 0.00 N ATOM 1163 CA ILE B 16 2.569 -3.287 -4.837 1.00 0.00 C ATOM 1164 C ILE B 16 3.762 -2.442 -4.387 1.00 0.00 C ATOM 1165 O ILE B 16 4.625 -2.058 -5.178 1.00 0.00 O ATOM 1166 CB ILE B 16 1.348 -2.327 -4.776 1.00 0.00 C ATOM 1167 CG1 ILE B 16 0.002 -3.052 -4.724 1.00 0.00 C ATOM 1168 CG2 ILE B 16 1.364 -1.419 -6.009 1.00 0.00 C ATOM 1169 CD1 ILE B 16 -0.226 -3.833 -6.000 1.00 0.00 C ATOM 0 H ILE B 16 1.583 -4.552 -3.438 1.00 0.00 H new ATOM 0 HA ILE B 16 2.648 -3.694 -5.845 1.00 0.00 H new ATOM 0 HB ILE B 16 1.444 -1.758 -3.851 1.00 0.00 H new ATOM 0 HG12 ILE B 16 -0.022 -3.726 -3.868 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -0.802 -2.330 -4.584 1.00 0.00 H new ATOM 0 HG21 ILE B 16 0.510 -0.742 -5.974 1.00 0.00 H new ATOM 0 HG22 ILE B 16 2.287 -0.839 -6.022 1.00 0.00 H new ATOM 0 HG23 ILE B 16 1.307 -2.029 -6.911 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -1.188 -4.343 -5.947 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -0.223 -3.150 -6.850 1.00 0.00 H new ATOM 0 HD13 ILE B 16 0.569 -4.569 -6.123 1.00 0.00 H new ATOM 1181 N MET B 17 3.761 -2.164 -3.089 1.00 0.00 N ATOM 1182 CA MET B 17 4.787 -1.366 -2.430 1.00 0.00 C ATOM 1183 C MET B 17 6.171 -2.014 -2.571 1.00 0.00 C ATOM 1184 O MET B 17 7.177 -1.310 -2.675 1.00 0.00 O ATOM 1185 CB MET B 17 4.390 -1.200 -0.969 1.00 0.00 C ATOM 1186 CG MET B 17 2.953 -0.661 -0.901 1.00 0.00 C ATOM 1187 SD MET B 17 2.927 1.070 -1.374 1.00 0.00 S ATOM 1188 CE MET B 17 3.818 1.660 0.067 1.00 0.00 C ATOM 0 H MET B 17 3.034 -2.493 -2.454 1.00 0.00 H new ATOM 0 HA MET B 17 4.859 -0.386 -2.902 1.00 0.00 H new ATOM 0 HB2 MET B 17 4.459 -2.155 -0.449 1.00 0.00 H new ATOM 0 HB3 MET B 17 5.074 -0.514 -0.468 1.00 0.00 H new ATOM 0 HG2 MET B 17 2.307 -1.238 -1.563 1.00 0.00 H new ATOM 0 HG3 MET B 17 2.559 -0.777 0.109 1.00 0.00 H new ATOM 0 HE1 MET B 17 3.225 2.420 0.576 1.00 0.00 H new ATOM 0 HE2 MET B 17 4.002 0.828 0.747 1.00 0.00 H new ATOM 0 HE3 MET B 17 4.769 2.091 -0.245 1.00 0.00 H new ATOM 1198 N ARG B 18 6.213 -3.354 -2.604 1.00 0.00 N ATOM 1199 CA ARG B 18 7.478 -4.077 -2.767 1.00 0.00 C ATOM 1200 C ARG B 18 8.103 -3.769 -4.123 1.00 0.00 C ATOM 1201 O ARG B 18 9.321 -3.624 -4.235 1.00 0.00 O ATOM 1202 CB ARG B 18 7.254 -5.582 -2.681 1.00 0.00 C ATOM 1203 CG ARG B 18 6.977 -6.013 -1.238 1.00 0.00 C ATOM 1204 CD ARG B 18 8.275 -6.443 -0.540 1.00 0.00 C ATOM 1205 NE ARG B 18 8.063 -7.691 0.190 1.00 0.00 N ATOM 1206 CZ ARG B 18 8.008 -8.863 -0.439 1.00 0.00 C ATOM 1207 NH1 ARG B 18 6.884 -9.282 -0.942 1.00 0.00 N ATOM 1208 NH2 ARG B 18 9.082 -9.591 -0.550 1.00 0.00 N ATOM 0 H ARG B 18 5.392 -3.953 -2.521 1.00 0.00 H new ATOM 0 HA ARG B 18 8.143 -3.753 -1.967 1.00 0.00 H new ATOM 0 HB2 ARG B 18 6.415 -5.865 -3.317 1.00 0.00 H new ATOM 0 HB3 ARG B 18 8.132 -6.106 -3.059 1.00 0.00 H new ATOM 0 HG2 ARG B 18 6.519 -5.190 -0.689 1.00 0.00 H new ATOM 0 HG3 ARG B 18 6.264 -6.837 -1.230 1.00 0.00 H new ATOM 0 HD2 ARG B 18 9.067 -6.574 -1.277 1.00 0.00 H new ATOM 0 HD3 ARG B 18 8.604 -5.663 0.146 1.00 0.00 H new ATOM 0 HE ARG B 18 7.955 -7.664 1.204 1.00 0.00 H new ATOM 0 HH11 ARG B 18 6.042 -8.712 -0.855 1.00 0.00 H new ATOM 0 HH12 ARG B 18 6.844 -10.180 -1.424 1.00 0.00 H new ATOM 0 HH21 ARG B 18 9.963 -9.263 -0.155 1.00 0.00 H new ATOM 0 HH22 ARG B 18 9.042 -10.489 -1.032 1.00 0.00 H new ATOM 1222 N LEU B 19 7.249 -3.687 -5.148 1.00 0.00 N ATOM 1223 CA LEU B 19 7.705 -3.416 -6.508 1.00 0.00 C ATOM 1224 C LEU B 19 8.425 -2.078 -6.582 1.00 0.00 C ATOM 1225 O LEU B 19 7.800 -1.033 -6.438 1.00 0.00 O ATOM 1226 CB LEU B 19 6.520 -3.389 -7.480 1.00 0.00 C ATOM 1227 CG LEU B 19 5.721 -4.694 -7.434 1.00 0.00 C ATOM 1228 CD1 LEU B 19 4.424 -4.529 -8.222 1.00 0.00 C ATOM 1229 CD2 LEU B 19 6.522 -5.823 -8.054 1.00 0.00 C ATOM 0 H LEU B 19 6.240 -3.805 -5.058 1.00 0.00 H new ATOM 0 HA LEU B 19 8.392 -4.215 -6.787 1.00 0.00 H new ATOM 0 HB2 LEU B 19 5.866 -2.553 -7.233 1.00 0.00 H new ATOM 0 HB3 LEU B 19 6.884 -3.221 -8.493 1.00 0.00 H new ATOM 0 HG LEU B 19 5.502 -4.930 -6.392 1.00 0.00 H new ATOM 0 HD11 LEU B 19 3.857 -5.459 -8.188 1.00 0.00 H new ATOM 0 HD12 LEU B 19 3.831 -3.726 -7.783 1.00 0.00 H new ATOM 0 HD13 LEU B 19 4.657 -4.284 -9.258 1.00 0.00 H new ATOM 0 HD21 LEU B 19 5.942 -6.745 -8.015 1.00 0.00 H new ATOM 0 HD22 LEU B 19 6.749 -5.581 -9.092 1.00 0.00 H new ATOM 0 HD23 LEU B 19 7.452 -5.956 -7.501 1.00 0.00 H new ATOM 1241 N PRO B 20 9.719 -2.087 -6.811 1.00 0.00 N ATOM 1242 CA PRO B 20 10.523 -0.844 -6.915 1.00 0.00 C ATOM 1243 C PRO B 20 10.408 -0.185 -8.292 1.00 0.00 C ATOM 1244 O PRO B 20 10.988 0.877 -8.521 1.00 0.00 O ATOM 1245 CB PRO B 20 11.965 -1.320 -6.662 1.00 0.00 C ATOM 1246 CG PRO B 20 11.907 -2.795 -6.430 1.00 0.00 C ATOM 1247 CD PRO B 20 10.580 -3.267 -6.991 1.00 0.00 C ATOM 0 HA PRO B 20 10.184 -0.085 -6.210 1.00 0.00 H new ATOM 0 HB2 PRO B 20 12.602 -1.089 -7.516 1.00 0.00 H new ATOM 0 HB3 PRO B 20 12.393 -0.811 -5.798 1.00 0.00 H new ATOM 0 HG2 PRO B 20 12.738 -3.298 -6.924 1.00 0.00 H new ATOM 0 HG3 PRO B 20 11.982 -3.024 -5.367 1.00 0.00 H new ATOM 0 HD2 PRO B 20 10.662 -3.553 -8.040 1.00 0.00 H new ATOM 0 HD3 PRO B 20 10.197 -4.134 -6.453 1.00 0.00 H new ATOM 1255 N ASN B 21 9.674 -0.828 -9.211 1.00 0.00 N ATOM 1256 CA ASN B 21 9.520 -0.300 -10.563 1.00 0.00 C ATOM 1257 C ASN B 21 8.229 0.503 -10.705 1.00 0.00 C ATOM 1258 O ASN B 21 8.113 1.333 -11.608 1.00 0.00 O ATOM 1259 CB ASN B 21 9.533 -1.456 -11.565 1.00 0.00 C ATOM 1260 CG ASN B 21 10.844 -2.236 -11.477 1.00 0.00 C ATOM 1261 OD1 ASN B 21 11.879 -1.690 -11.094 1.00 0.00 O ATOM 1262 ND2 ASN B 21 10.857 -3.494 -11.813 1.00 0.00 N ATOM 0 H ASN B 21 9.184 -1.706 -9.040 1.00 0.00 H new ATOM 0 HA ASN B 21 10.353 0.373 -10.766 1.00 0.00 H new ATOM 0 HB2 ASN B 21 8.694 -2.123 -11.368 1.00 0.00 H new ATOM 0 HB3 ASN B 21 9.402 -1.069 -12.575 1.00 0.00 H new ATOM 0 HD21 ASN B 21 11.725 -4.027 -11.759 1.00 0.00 H new ATOM 0 HD22 ASN B 21 9.999 -3.946 -12.130 1.00 0.00 H new ATOM 1269 N LEU B 22 7.257 0.257 -9.816 1.00 0.00 N ATOM 1270 CA LEU B 22 5.986 0.979 -9.881 1.00 0.00 C ATOM 1271 C LEU B 22 6.136 2.425 -9.429 1.00 0.00 C ATOM 1272 O LEU B 22 7.012 2.765 -8.632 1.00 0.00 O ATOM 1273 CB LEU B 22 4.907 0.316 -9.002 1.00 0.00 C ATOM 1274 CG LEU B 22 4.600 -1.110 -9.455 1.00 0.00 C ATOM 1275 CD1 LEU B 22 3.317 -1.602 -8.775 1.00 0.00 C ATOM 1276 CD2 LEU B 22 4.395 -1.121 -10.949 1.00 0.00 C ATOM 0 H LEU B 22 7.326 -0.423 -9.059 1.00 0.00 H new ATOM 0 HA LEU B 22 5.679 0.949 -10.927 1.00 0.00 H new ATOM 0 HB2 LEU B 22 5.241 0.303 -7.965 1.00 0.00 H new ATOM 0 HB3 LEU B 22 3.995 0.912 -9.036 1.00 0.00 H new ATOM 0 HG LEU B 22 5.431 -1.762 -9.185 1.00 0.00 H new ATOM 0 HD11 LEU B 22 3.100 -2.620 -9.100 1.00 0.00 H new ATOM 0 HD12 LEU B 22 3.450 -1.587 -7.693 1.00 0.00 H new ATOM 0 HD13 LEU B 22 2.487 -0.950 -9.048 1.00 0.00 H new ATOM 0 HD21 LEU B 22 4.175 -2.136 -11.279 1.00 0.00 H new ATOM 0 HD22 LEU B 22 3.561 -0.468 -11.207 1.00 0.00 H new ATOM 0 HD23 LEU B 22 5.300 -0.767 -11.443 1.00 0.00 H new ATOM 1288 N ASN B 23 5.230 3.253 -9.930 1.00 0.00 N ATOM 1289 CA ASN B 23 5.180 4.663 -9.578 1.00 0.00 C ATOM 1290 C ASN B 23 4.385 4.786 -8.275 1.00 0.00 C ATOM 1291 O ASN B 23 3.559 3.924 -7.977 1.00 0.00 O ATOM 1292 CB ASN B 23 4.520 5.411 -10.773 1.00 0.00 C ATOM 1293 CG ASN B 23 3.494 6.468 -10.372 1.00 0.00 C ATOM 1294 OD1 ASN B 23 3.678 7.199 -9.418 1.00 0.00 O ATOM 1295 ND2 ASN B 23 2.410 6.596 -11.086 1.00 0.00 N ATOM 0 H ASN B 23 4.509 2.965 -10.592 1.00 0.00 H new ATOM 0 HA ASN B 23 6.162 5.105 -9.406 1.00 0.00 H new ATOM 0 HB2 ASN B 23 5.303 5.888 -11.363 1.00 0.00 H new ATOM 0 HB3 ASN B 23 4.035 4.680 -11.419 1.00 0.00 H new ATOM 0 HD21 ASN B 23 1.720 7.307 -10.843 1.00 0.00 H new ATOM 0 HD22 ASN B 23 2.252 5.985 -11.887 1.00 0.00 H new ATOM 1302 N SER B 24 4.625 5.850 -7.504 1.00 0.00 N ATOM 1303 CA SER B 24 3.903 6.038 -6.243 1.00 0.00 C ATOM 1304 C SER B 24 2.408 6.100 -6.522 1.00 0.00 C ATOM 1305 O SER B 24 1.605 5.462 -5.841 1.00 0.00 O ATOM 1306 CB SER B 24 4.364 7.331 -5.563 1.00 0.00 C ATOM 1307 OG SER B 24 4.072 8.439 -6.406 1.00 0.00 O ATOM 0 H SER B 24 5.300 6.582 -7.725 1.00 0.00 H new ATOM 0 HA SER B 24 4.112 5.200 -5.578 1.00 0.00 H new ATOM 0 HB2 SER B 24 3.862 7.449 -4.603 1.00 0.00 H new ATOM 0 HB3 SER B 24 5.434 7.287 -5.360 1.00 0.00 H new ATOM 0 HG SER B 24 4.814 9.079 -6.374 1.00 0.00 H new ATOM 1313 N LEU B 25 2.066 6.842 -7.568 1.00 0.00 N ATOM 1314 CA LEU B 25 0.693 6.977 -8.011 1.00 0.00 C ATOM 1315 C LEU B 25 0.205 5.670 -8.619 1.00 0.00 C ATOM 1316 O LEU B 25 -0.960 5.306 -8.460 1.00 0.00 O ATOM 1317 CB LEU B 25 0.570 8.115 -9.037 1.00 0.00 C ATOM 1318 CG LEU B 25 -0.064 9.332 -8.394 1.00 0.00 C ATOM 1319 CD1 LEU B 25 -0.215 10.456 -9.428 1.00 0.00 C ATOM 1320 CD2 LEU B 25 -1.429 8.930 -7.849 1.00 0.00 C ATOM 0 H LEU B 25 2.737 7.366 -8.130 1.00 0.00 H new ATOM 0 HA LEU B 25 0.073 7.217 -7.147 1.00 0.00 H new ATOM 0 HB2 LEU B 25 1.555 8.372 -9.426 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -0.032 7.787 -9.884 1.00 0.00 H new ATOM 0 HG LEU B 25 0.566 9.698 -7.584 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -0.672 11.326 -8.956 1.00 0.00 H new ATOM 0 HD12 LEU B 25 0.767 10.727 -9.816 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -0.848 10.114 -10.247 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -1.903 9.793 -7.381 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -2.055 8.570 -8.665 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -1.307 8.138 -7.110 1.00 0.00 H new ATOM 1332 N GLN B 26 1.109 4.954 -9.298 1.00 0.00 N ATOM 1333 CA GLN B 26 0.742 3.667 -9.899 1.00 0.00 C ATOM 1334 C GLN B 26 0.376 2.696 -8.796 1.00 0.00 C ATOM 1335 O GLN B 26 -0.571 1.922 -8.910 1.00 0.00 O ATOM 1336 CB GLN B 26 1.916 3.067 -10.672 1.00 0.00 C ATOM 1337 CG GLN B 26 1.778 3.301 -12.183 1.00 0.00 C ATOM 1338 CD GLN B 26 3.002 2.741 -12.895 1.00 0.00 C ATOM 1339 OE1 GLN B 26 3.168 2.942 -14.098 1.00 0.00 O ATOM 1340 NE2 GLN B 26 3.869 2.034 -12.224 1.00 0.00 N ATOM 0 H GLN B 26 2.079 5.235 -9.443 1.00 0.00 H new ATOM 0 HA GLN B 26 -0.093 3.835 -10.579 1.00 0.00 H new ATOM 0 HB2 GLN B 26 2.848 3.508 -10.319 1.00 0.00 H new ATOM 0 HB3 GLN B 26 1.974 1.997 -10.473 1.00 0.00 H new ATOM 0 HG2 GLN B 26 0.874 2.819 -12.556 1.00 0.00 H new ATOM 0 HG3 GLN B 26 1.679 4.367 -12.390 1.00 0.00 H new ATOM 0 HE21 GLN B 26 3.730 1.868 -11.227 1.00 0.00 H new ATOM 0 HE22 GLN B 26 4.686 1.647 -12.696 1.00 0.00 H new ATOM 1349 N VAL B 27 1.149 2.762 -7.723 1.00 0.00 N ATOM 1350 CA VAL B 27 0.935 1.908 -6.575 1.00 0.00 C ATOM 1351 C VAL B 27 -0.398 2.239 -5.954 1.00 0.00 C ATOM 1352 O VAL B 27 -1.186 1.348 -5.655 1.00 0.00 O ATOM 1353 CB VAL B 27 2.100 2.066 -5.592 1.00 0.00 C ATOM 1354 CG1 VAL B 27 1.790 1.361 -4.259 1.00 0.00 C ATOM 1355 CG2 VAL B 27 3.342 1.438 -6.241 1.00 0.00 C ATOM 0 H VAL B 27 1.935 3.405 -7.628 1.00 0.00 H new ATOM 0 HA VAL B 27 0.908 0.860 -6.873 1.00 0.00 H new ATOM 0 HB VAL B 27 2.266 3.121 -5.376 1.00 0.00 H new ATOM 0 HG11 VAL B 27 2.631 1.486 -3.577 1.00 0.00 H new ATOM 0 HG12 VAL B 27 0.895 1.798 -3.816 1.00 0.00 H new ATOM 0 HG13 VAL B 27 1.624 0.299 -4.439 1.00 0.00 H new ATOM 0 HG21 VAL B 27 4.193 1.533 -5.566 1.00 0.00 H new ATOM 0 HG22 VAL B 27 3.154 0.383 -6.441 1.00 0.00 H new ATOM 0 HG23 VAL B 27 3.562 1.951 -7.177 1.00 0.00 H new ATOM 1365 N VAL B 28 -0.666 3.528 -5.833 1.00 0.00 N ATOM 1366 CA VAL B 28 -1.933 3.980 -5.324 1.00 0.00 C ATOM 1367 C VAL B 28 -3.038 3.470 -6.254 1.00 0.00 C ATOM 1368 O VAL B 28 -4.133 3.149 -5.810 1.00 0.00 O ATOM 1369 CB VAL B 28 -1.960 5.512 -5.246 1.00 0.00 C ATOM 1370 CG1 VAL B 28 -3.326 5.952 -4.720 1.00 0.00 C ATOM 1371 CG2 VAL B 28 -0.850 6.014 -4.302 1.00 0.00 C ATOM 0 H VAL B 28 -0.017 4.274 -6.083 1.00 0.00 H new ATOM 0 HA VAL B 28 -2.090 3.592 -4.318 1.00 0.00 H new ATOM 0 HB VAL B 28 -1.789 5.933 -6.237 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -3.359 7.040 -4.659 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -4.106 5.602 -5.396 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -3.488 5.528 -3.729 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -0.878 7.103 -4.254 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -1.007 5.603 -3.305 1.00 0.00 H new ATOM 0 HG23 VAL B 28 0.121 5.692 -4.679 1.00 0.00 H new ATOM 1381 N ALA B 29 -2.718 3.390 -7.551 1.00 0.00 N ATOM 1382 CA ALA B 29 -3.660 2.910 -8.555 1.00 0.00 C ATOM 1383 C ALA B 29 -4.078 1.487 -8.224 1.00 0.00 C ATOM 1384 O ALA B 29 -5.264 1.146 -8.267 1.00 0.00 O ATOM 1385 CB ALA B 29 -2.994 2.938 -9.939 1.00 0.00 C ATOM 0 H ALA B 29 -1.807 3.654 -7.926 1.00 0.00 H new ATOM 0 HA ALA B 29 -4.540 3.554 -8.561 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -3.699 2.579 -10.689 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -2.697 3.959 -10.179 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -2.113 2.296 -9.932 1.00 0.00 H new ATOM 1391 N PHE B 30 -3.089 0.665 -7.878 1.00 0.00 N ATOM 1392 CA PHE B 30 -3.332 -0.698 -7.532 1.00 0.00 C ATOM 1393 C PHE B 30 -3.996 -0.782 -6.159 1.00 0.00 C ATOM 1394 O PHE B 30 -4.988 -1.486 -6.008 1.00 0.00 O ATOM 1395 CB PHE B 30 -1.995 -1.453 -7.585 1.00 0.00 C ATOM 1396 CG PHE B 30 -1.470 -1.441 -9.018 1.00 0.00 C ATOM 1397 CD1 PHE B 30 -2.238 -1.980 -10.073 1.00 0.00 C ATOM 1398 CD2 PHE B 30 -0.224 -0.852 -9.305 1.00 0.00 C ATOM 1399 CE1 PHE B 30 -1.759 -1.921 -11.382 1.00 0.00 C ATOM 1400 CE2 PHE B 30 0.242 -0.806 -10.613 1.00 0.00 C ATOM 1401 CZ PHE B 30 -0.524 -1.336 -11.652 1.00 0.00 C ATOM 0 H PHE B 30 -2.108 0.941 -7.836 1.00 0.00 H new ATOM 0 HA PHE B 30 -4.020 -1.162 -8.238 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -1.273 -0.985 -6.916 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -2.129 -2.479 -7.242 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -3.195 -2.437 -9.867 1.00 0.00 H new ATOM 0 HD2 PHE B 30 0.371 -0.435 -8.506 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -2.348 -2.331 -12.189 1.00 0.00 H new ATOM 0 HE2 PHE B 30 1.201 -0.358 -10.827 1.00 0.00 H new ATOM 0 HZ PHE B 30 -0.159 -1.293 -12.667 1.00 0.00 H new ATOM 1411 N ILE B 31 -3.488 -0.023 -5.174 1.00 0.00 N ATOM 1412 CA ILE B 31 -4.084 -0.027 -3.830 1.00 0.00 C ATOM 1413 C ILE B 31 -5.547 0.392 -3.918 1.00 0.00 C ATOM 1414 O ILE B 31 -6.419 -0.230 -3.312 1.00 0.00 O ATOM 1415 CB ILE B 31 -3.323 0.923 -2.891 1.00 0.00 C ATOM 1416 CG1 ILE B 31 -1.865 0.455 -2.736 1.00 0.00 C ATOM 1417 CG2 ILE B 31 -3.990 0.931 -1.506 1.00 0.00 C ATOM 1418 CD1 ILE B 31 -1.039 1.582 -2.111 1.00 0.00 C ATOM 0 H ILE B 31 -2.680 0.591 -5.280 1.00 0.00 H new ATOM 0 HA ILE B 31 -4.017 -1.036 -3.423 1.00 0.00 H new ATOM 0 HB ILE B 31 -3.343 1.926 -3.318 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -1.821 -0.435 -2.109 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -1.453 0.181 -3.707 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -3.447 1.606 -0.844 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -5.022 1.269 -1.601 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -3.975 -0.076 -1.089 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -0.005 1.256 -1.999 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.075 2.460 -2.756 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.448 1.834 -1.133 1.00 0.00 H new ATOM 1430 N ASN B 32 -5.803 1.432 -4.704 1.00 0.00 N ATOM 1431 CA ASN B 32 -7.170 1.914 -4.909 1.00 0.00 C ATOM 1432 C ASN B 32 -8.043 0.789 -5.459 1.00 0.00 C ATOM 1433 O ASN B 32 -9.226 0.699 -5.134 1.00 0.00 O ATOM 1434 CB ASN B 32 -7.204 3.080 -5.913 1.00 0.00 C ATOM 1435 CG ASN B 32 -6.991 4.420 -5.217 1.00 0.00 C ATOM 1436 OD1 ASN B 32 -7.663 4.728 -4.233 1.00 0.00 O ATOM 1437 ND2 ASN B 32 -6.101 5.250 -5.683 1.00 0.00 N ATOM 0 H ASN B 32 -5.089 1.957 -5.208 1.00 0.00 H new ATOM 0 HA ASN B 32 -7.546 2.255 -3.944 1.00 0.00 H new ATOM 0 HB2 ASN B 32 -6.432 2.934 -6.669 1.00 0.00 H new ATOM 0 HB3 ASN B 32 -8.162 3.087 -6.433 1.00 0.00 H new ATOM 0 HD21 ASN B 32 -5.962 6.154 -5.232 1.00 0.00 H new ATOM 0 HD22 ASN B 32 -5.544 4.995 -6.498 1.00 0.00 H new ATOM 1444 N SER B 33 -7.443 -0.076 -6.288 1.00 0.00 N ATOM 1445 CA SER B 33 -8.154 -1.184 -6.871 1.00 0.00 C ATOM 1446 C SER B 33 -8.297 -2.299 -5.844 1.00 0.00 C ATOM 1447 O SER B 33 -9.276 -3.041 -5.871 1.00 0.00 O ATOM 1448 CB SER B 33 -7.472 -1.630 -8.152 1.00 0.00 C ATOM 1449 OG SER B 33 -7.890 -0.789 -9.219 1.00 0.00 O ATOM 0 H SER B 33 -6.462 -0.015 -6.561 1.00 0.00 H new ATOM 0 HA SER B 33 -9.162 -0.879 -7.151 1.00 0.00 H new ATOM 0 HB2 SER B 33 -6.389 -1.582 -8.038 1.00 0.00 H new ATOM 0 HB3 SER B 33 -7.724 -2.668 -8.370 1.00 0.00 H new ATOM 0 HG SER B 33 -7.452 -1.071 -10.049 1.00 0.00 H new ATOM 1455 N LEU B 34 -7.345 -2.380 -4.895 1.00 0.00 N ATOM 1456 CA LEU B 34 -7.450 -3.377 -3.828 1.00 0.00 C ATOM 1457 C LEU B 34 -8.726 -3.035 -3.062 1.00 0.00 C ATOM 1458 O LEU B 34 -9.526 -3.910 -2.727 1.00 0.00 O ATOM 1459 CB LEU B 34 -6.222 -3.331 -2.883 1.00 0.00 C ATOM 1460 CG LEU B 34 -4.914 -3.554 -3.666 1.00 0.00 C ATOM 1461 CD1 LEU B 34 -3.722 -3.702 -2.731 1.00 0.00 C ATOM 1462 CD2 LEU B 34 -5.028 -4.812 -4.478 1.00 0.00 C ATOM 0 H LEU B 34 -6.519 -1.783 -4.849 1.00 0.00 H new ATOM 0 HA LEU B 34 -7.481 -4.385 -4.241 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.186 -2.368 -2.375 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -6.323 -4.095 -2.112 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.758 -2.685 -4.306 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -2.817 -3.858 -3.318 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -3.615 -2.798 -2.132 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -3.880 -4.557 -2.073 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -4.104 -4.972 -5.033 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -5.204 -5.659 -3.814 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -5.859 -4.720 -5.177 1.00 0.00 H new ATOM 1474 N ARG B 35 -8.925 -1.723 -2.863 1.00 0.00 N ATOM 1475 CA ARG B 35 -10.146 -1.209 -2.212 1.00 0.00 C ATOM 1476 C ARG B 35 -11.366 -1.568 -3.056 1.00 0.00 C ATOM 1477 O ARG B 35 -12.376 -2.054 -2.544 1.00 0.00 O ATOM 1478 CB ARG B 35 -10.135 0.332 -2.099 1.00 0.00 C ATOM 1479 CG ARG B 35 -8.787 0.880 -1.621 1.00 0.00 C ATOM 1480 CD ARG B 35 -9.012 1.887 -0.488 1.00 0.00 C ATOM 1481 NE ARG B 35 -8.914 1.226 0.807 1.00 0.00 N ATOM 1482 CZ ARG B 35 -9.983 1.091 1.587 1.00 0.00 C ATOM 1483 NH1 ARG B 35 -10.805 0.100 1.397 1.00 0.00 N ATOM 1484 NH2 ARG B 35 -10.217 1.957 2.530 1.00 0.00 N ATOM 0 H ARG B 35 -8.262 -1.000 -3.141 1.00 0.00 H new ATOM 0 HA ARG B 35 -10.184 -1.656 -1.218 1.00 0.00 H new ATOM 0 HB2 ARG B 35 -10.375 0.765 -3.070 1.00 0.00 H new ATOM 0 HB3 ARG B 35 -10.916 0.647 -1.408 1.00 0.00 H new ATOM 0 HG2 ARG B 35 -8.154 0.063 -1.274 1.00 0.00 H new ATOM 0 HG3 ARG B 35 -8.264 1.360 -2.449 1.00 0.00 H new ATOM 0 HD2 ARG B 35 -8.274 2.687 -0.552 1.00 0.00 H new ATOM 0 HD3 ARG B 35 -9.993 2.350 -0.594 1.00 0.00 H new ATOM 0 HE ARG B 35 -8.014 0.862 1.119 1.00 0.00 H new ATOM 0 HH11 ARG B 35 -10.629 -0.572 0.650 1.00 0.00 H new ATOM 0 HH12 ARG B 35 -11.625 -0.004 1.995 1.00 0.00 H new ATOM 0 HH21 ARG B 35 -9.580 2.741 2.672 1.00 0.00 H new ATOM 0 HH22 ARG B 35 -11.037 1.852 3.127 1.00 0.00 H new ATOM 1498 N ASP B 36 -11.246 -1.295 -4.354 1.00 0.00 N ATOM 1499 CA ASP B 36 -12.316 -1.549 -5.313 1.00 0.00 C ATOM 1500 C ASP B 36 -12.668 -3.029 -5.377 1.00 0.00 C ATOM 1501 O ASP B 36 -13.836 -3.391 -5.536 1.00 0.00 O ATOM 1502 CB ASP B 36 -11.868 -1.074 -6.704 1.00 0.00 C ATOM 1503 CG ASP B 36 -11.623 0.444 -6.729 1.00 0.00 C ATOM 1504 OD1 ASP B 36 -12.167 1.145 -5.885 1.00 0.00 O ATOM 1505 OD2 ASP B 36 -10.886 0.885 -7.595 1.00 0.00 O ATOM 0 H ASP B 36 -10.405 -0.892 -4.768 1.00 0.00 H new ATOM 0 HA ASP B 36 -13.202 -1.003 -4.989 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -10.955 -1.596 -6.991 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -12.629 -1.333 -7.441 1.00 0.00 H new ATOM 1510 N ASP B 37 -11.646 -3.875 -5.278 1.00 0.00 N ATOM 1511 CA ASP B 37 -11.841 -5.320 -5.351 1.00 0.00 C ATOM 1512 C ASP B 37 -10.826 -6.049 -4.479 1.00 0.00 C ATOM 1513 O ASP B 37 -9.681 -6.273 -4.889 1.00 0.00 O ATOM 1514 CB ASP B 37 -11.735 -5.810 -6.813 1.00 0.00 C ATOM 1515 CG ASP B 37 -11.890 -4.653 -7.802 1.00 0.00 C ATOM 1516 OD1 ASP B 37 -10.889 -4.029 -8.115 1.00 0.00 O ATOM 1517 OD2 ASP B 37 -13.006 -4.409 -8.230 1.00 0.00 O ATOM 0 H ASP B 37 -10.677 -3.586 -5.147 1.00 0.00 H new ATOM 0 HA ASP B 37 -12.841 -5.544 -4.978 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -10.771 -6.295 -6.967 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -12.503 -6.559 -7.004 1.00 0.00 H new ATOM 1522 N PRO B 38 -11.227 -6.431 -3.290 1.00 0.00 N ATOM 1523 CA PRO B 38 -10.340 -7.163 -2.356 1.00 0.00 C ATOM 1524 C PRO B 38 -10.045 -8.579 -2.844 1.00 0.00 C ATOM 1525 O PRO B 38 -8.939 -9.089 -2.665 1.00 0.00 O ATOM 1526 CB PRO B 38 -11.099 -7.200 -1.035 1.00 0.00 C ATOM 1527 CG PRO B 38 -12.394 -6.479 -1.228 1.00 0.00 C ATOM 1528 CD PRO B 38 -12.564 -6.209 -2.718 1.00 0.00 C ATOM 0 HA PRO B 38 -9.371 -6.672 -2.267 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -11.278 -8.230 -0.727 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -10.514 -6.728 -0.246 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -13.223 -7.078 -0.852 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -12.397 -5.544 -0.668 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -13.301 -6.879 -3.161 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -12.909 -5.191 -2.900 1.00 0.00 H new ATOM 1536 N SER B 39 -11.045 -9.200 -3.475 1.00 0.00 N ATOM 1537 CA SER B 39 -10.894 -10.548 -4.001 1.00 0.00 C ATOM 1538 C SER B 39 -9.867 -10.536 -5.118 1.00 0.00 C ATOM 1539 O SER B 39 -9.004 -11.414 -5.192 1.00 0.00 O ATOM 1540 CB SER B 39 -12.234 -11.063 -4.529 1.00 0.00 C ATOM 1541 OG SER B 39 -13.206 -10.989 -3.493 1.00 0.00 O ATOM 0 H SER B 39 -11.964 -8.787 -3.631 1.00 0.00 H new ATOM 0 HA SER B 39 -10.558 -11.211 -3.203 1.00 0.00 H new ATOM 0 HB2 SER B 39 -12.553 -10.470 -5.386 1.00 0.00 H new ATOM 0 HB3 SER B 39 -12.131 -12.092 -4.874 1.00 0.00 H new ATOM 0 HG SER B 39 -14.067 -11.317 -3.828 1.00 0.00 H new ATOM 1547 N GLN B 40 -9.962 -9.519 -5.978 1.00 0.00 N ATOM 1548 CA GLN B 40 -9.036 -9.379 -7.085 1.00 0.00 C ATOM 1549 C GLN B 40 -7.851 -8.521 -6.683 1.00 0.00 C ATOM 1550 O GLN B 40 -7.137 -8.018 -7.545 1.00 0.00 O ATOM 1551 CB GLN B 40 -9.719 -8.794 -8.332 1.00 0.00 C ATOM 1552 CG GLN B 40 -11.245 -8.893 -8.213 1.00 0.00 C ATOM 1553 CD GLN B 40 -11.905 -8.378 -9.484 1.00 0.00 C ATOM 1554 OE1 GLN B 40 -11.963 -7.171 -9.716 1.00 0.00 O ATOM 1555 NE2 GLN B 40 -12.409 -9.233 -10.323 1.00 0.00 N ATOM 0 H GLN B 40 -10.671 -8.787 -5.923 1.00 0.00 H new ATOM 0 HA GLN B 40 -8.681 -10.377 -7.340 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -9.426 -7.752 -8.457 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -9.383 -9.329 -9.221 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -11.537 -9.928 -8.036 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -11.589 -8.314 -7.356 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -12.358 -10.232 -10.125 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -12.856 -8.905 -11.179 1.00 0.00 H new ATOM 1564 N SER B 41 -7.616 -8.372 -5.372 1.00 0.00 N ATOM 1565 CA SER B 41 -6.472 -7.596 -4.922 1.00 0.00 C ATOM 1566 C SER B 41 -5.216 -8.150 -5.571 1.00 0.00 C ATOM 1567 O SER B 41 -4.283 -7.419 -5.884 1.00 0.00 O ATOM 1568 CB SER B 41 -6.346 -7.695 -3.403 1.00 0.00 C ATOM 1569 OG SER B 41 -7.291 -6.829 -2.800 1.00 0.00 O ATOM 0 H SER B 41 -8.190 -8.770 -4.629 1.00 0.00 H new ATOM 0 HA SER B 41 -6.605 -6.551 -5.201 1.00 0.00 H new ATOM 0 HB2 SER B 41 -6.516 -8.721 -3.078 1.00 0.00 H new ATOM 0 HB3 SER B 41 -5.337 -7.425 -3.091 1.00 0.00 H new ATOM 0 HG SER B 41 -7.856 -6.428 -3.493 1.00 0.00 H new ATOM 1575 N ALA B 42 -5.244 -9.457 -5.784 1.00 0.00 N ATOM 1576 CA ALA B 42 -4.159 -10.176 -6.423 1.00 0.00 C ATOM 1577 C ALA B 42 -4.115 -9.875 -7.922 1.00 0.00 C ATOM 1578 O ALA B 42 -3.071 -10.005 -8.551 1.00 0.00 O ATOM 1579 CB ALA B 42 -4.389 -11.671 -6.227 1.00 0.00 C ATOM 0 H ALA B 42 -6.028 -10.051 -5.515 1.00 0.00 H new ATOM 0 HA ALA B 42 -3.215 -9.864 -5.977 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -3.582 -12.229 -6.702 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -4.410 -11.899 -5.161 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -5.340 -11.955 -6.678 1.00 0.00 H new ATOM 1585 N ASN B 43 -5.279 -9.513 -8.476 1.00 0.00 N ATOM 1586 CA ASN B 43 -5.432 -9.229 -9.900 1.00 0.00 C ATOM 1587 C ASN B 43 -4.756 -7.942 -10.319 1.00 0.00 C ATOM 1588 O ASN B 43 -3.942 -7.933 -11.238 1.00 0.00 O ATOM 1589 CB ASN B 43 -6.902 -9.107 -10.204 1.00 0.00 C ATOM 1590 CG ASN B 43 -7.157 -9.276 -11.699 1.00 0.00 C ATOM 1591 OD1 ASN B 43 -7.696 -10.295 -12.128 1.00 0.00 O ATOM 1592 ND2 ASN B 43 -6.789 -8.334 -12.524 1.00 0.00 N ATOM 0 H ASN B 43 -6.142 -9.410 -7.943 1.00 0.00 H new ATOM 0 HA ASN B 43 -4.962 -10.045 -10.449 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -7.458 -9.861 -9.647 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -7.267 -8.134 -9.875 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -6.948 -8.442 -13.526 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -6.342 -7.489 -12.167 1.00 0.00 H new ATOM 1599 N LEU B 44 -5.091 -6.852 -9.640 1.00 0.00 N ATOM 1600 CA LEU B 44 -4.490 -5.589 -9.954 1.00 0.00 C ATOM 1601 C LEU B 44 -3.074 -5.609 -9.411 1.00 0.00 C ATOM 1602 O LEU B 44 -2.175 -4.986 -9.956 1.00 0.00 O ATOM 1603 CB LEU B 44 -5.364 -4.385 -9.521 1.00 0.00 C ATOM 1604 CG LEU B 44 -5.488 -4.192 -8.018 1.00 0.00 C ATOM 1605 CD1 LEU B 44 -6.368 -5.266 -7.425 1.00 0.00 C ATOM 1606 CD2 LEU B 44 -4.138 -4.133 -7.340 1.00 0.00 C ATOM 0 H LEU B 44 -5.769 -6.829 -8.879 1.00 0.00 H new ATOM 0 HA LEU B 44 -4.427 -5.441 -11.032 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -4.947 -3.477 -9.956 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -6.362 -4.510 -9.940 1.00 0.00 H new ATOM 0 HG LEU B 44 -5.961 -3.226 -7.840 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -6.449 -5.117 -6.348 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -7.360 -5.213 -7.874 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -5.932 -6.245 -7.624 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -4.275 -3.994 -6.268 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -3.600 -5.064 -7.520 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -3.564 -3.298 -7.743 1.00 0.00 H new ATOM 1618 N LEU B 45 -2.869 -6.414 -8.367 1.00 0.00 N ATOM 1619 CA LEU B 45 -1.542 -6.606 -7.832 1.00 0.00 C ATOM 1620 C LEU B 45 -0.767 -7.287 -8.933 1.00 0.00 C ATOM 1621 O LEU B 45 0.403 -7.016 -9.176 1.00 0.00 O ATOM 1622 CB LEU B 45 -1.585 -7.507 -6.592 1.00 0.00 C ATOM 1623 CG LEU B 45 -0.226 -8.182 -6.373 1.00 0.00 C ATOM 1624 CD1 LEU B 45 0.855 -7.114 -6.211 1.00 0.00 C ATOM 1625 CD2 LEU B 45 -0.289 -9.078 -5.128 1.00 0.00 C ATOM 0 H LEU B 45 -3.604 -6.934 -7.887 1.00 0.00 H new ATOM 0 HA LEU B 45 -1.090 -5.662 -7.528 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -1.850 -6.917 -5.715 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -2.359 -8.265 -6.712 1.00 0.00 H new ATOM 0 HG LEU B 45 0.019 -8.801 -7.236 1.00 0.00 H new ATOM 0 HD11 LEU B 45 1.821 -7.595 -6.055 1.00 0.00 H new ATOM 0 HD12 LEU B 45 0.896 -6.499 -7.110 1.00 0.00 H new ATOM 0 HD13 LEU B 45 0.620 -6.486 -5.352 1.00 0.00 H new ATOM 0 HD21 LEU B 45 0.678 -9.557 -4.975 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -0.536 -8.472 -4.256 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -1.054 -9.842 -5.268 1.00 0.00 H new ATOM 1637 N ALA B 46 -1.488 -8.153 -9.628 1.00 0.00 N ATOM 1638 CA ALA B 46 -0.929 -8.864 -10.751 1.00 0.00 C ATOM 1639 C ALA B 46 -0.558 -7.825 -11.795 1.00 0.00 C ATOM 1640 O ALA B 46 0.537 -7.842 -12.348 1.00 0.00 O ATOM 1641 CB ALA B 46 -1.956 -9.857 -11.320 1.00 0.00 C ATOM 0 H ALA B 46 -2.463 -8.376 -9.428 1.00 0.00 H new ATOM 0 HA ALA B 46 -0.053 -9.438 -10.450 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -1.520 -10.386 -12.167 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -2.235 -10.575 -10.548 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -2.843 -9.315 -11.649 1.00 0.00 H new ATOM 1647 N GLU B 47 -1.482 -6.884 -12.000 1.00 0.00 N ATOM 1648 CA GLU B 47 -1.276 -5.782 -12.923 1.00 0.00 C ATOM 1649 C GLU B 47 -0.073 -4.965 -12.474 1.00 0.00 C ATOM 1650 O GLU B 47 0.653 -4.407 -13.291 1.00 0.00 O ATOM 1651 CB GLU B 47 -2.503 -4.853 -12.941 1.00 0.00 C ATOM 1652 CG GLU B 47 -3.742 -5.557 -13.485 1.00 0.00 C ATOM 1653 CD GLU B 47 -3.480 -6.170 -14.864 1.00 0.00 C ATOM 1654 OE1 GLU B 47 -3.023 -5.453 -15.740 1.00 0.00 O ATOM 1655 OE2 GLU B 47 -3.738 -7.352 -15.019 1.00 0.00 O ATOM 0 H GLU B 47 -2.387 -6.870 -11.530 1.00 0.00 H new ATOM 0 HA GLU B 47 -1.115 -6.195 -13.919 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -2.703 -4.496 -11.931 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -2.286 -3.977 -13.552 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -4.052 -6.339 -12.791 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -4.565 -4.846 -13.552 1.00 0.00 H new ATOM 1662 N ALA B 48 0.102 -4.888 -11.155 1.00 0.00 N ATOM 1663 CA ALA B 48 1.179 -4.130 -10.555 1.00 0.00 C ATOM 1664 C ALA B 48 2.509 -4.803 -10.760 1.00 0.00 C ATOM 1665 O ALA B 48 3.464 -4.179 -11.181 1.00 0.00 O ATOM 1666 CB ALA B 48 0.925 -4.064 -9.063 1.00 0.00 C ATOM 0 H ALA B 48 -0.504 -5.353 -10.479 1.00 0.00 H new ATOM 0 HA ALA B 48 1.209 -3.143 -11.017 1.00 0.00 H new ATOM 0 HB1 ALA B 48 1.723 -3.497 -8.583 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -0.031 -3.574 -8.878 1.00 0.00 H new ATOM 0 HB3 ALA B 48 0.900 -5.074 -8.653 1.00 0.00 H new ATOM 1672 N LYS B 49 2.546 -6.088 -10.471 1.00 0.00 N ATOM 1673 CA LYS B 49 3.754 -6.861 -10.638 1.00 0.00 C ATOM 1674 C LYS B 49 4.100 -6.878 -12.121 1.00 0.00 C ATOM 1675 O LYS B 49 5.269 -6.834 -12.496 1.00 0.00 O ATOM 1676 CB LYS B 49 3.534 -8.256 -10.044 1.00 0.00 C ATOM 1677 CG LYS B 49 3.568 -8.182 -8.514 1.00 0.00 C ATOM 1678 CD LYS B 49 3.576 -9.603 -7.929 1.00 0.00 C ATOM 1679 CE LYS B 49 2.214 -10.279 -8.146 1.00 0.00 C ATOM 1680 NZ LYS B 49 1.702 -10.792 -6.844 1.00 0.00 N ATOM 0 H LYS B 49 1.749 -6.618 -10.118 1.00 0.00 H new ATOM 0 HA LYS B 49 4.602 -6.426 -10.108 1.00 0.00 H new ATOM 0 HB2 LYS B 49 2.576 -8.655 -10.376 1.00 0.00 H new ATOM 0 HB3 LYS B 49 4.305 -8.939 -10.401 1.00 0.00 H new ATOM 0 HG2 LYS B 49 4.454 -7.638 -8.186 1.00 0.00 H new ATOM 0 HG3 LYS B 49 2.702 -7.632 -8.147 1.00 0.00 H new ATOM 0 HD2 LYS B 49 4.361 -10.193 -8.401 1.00 0.00 H new ATOM 0 HD3 LYS B 49 3.804 -9.563 -6.864 1.00 0.00 H new ATOM 0 HE2 LYS B 49 1.507 -9.568 -8.572 1.00 0.00 H new ATOM 0 HE3 LYS B 49 2.312 -11.098 -8.859 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 0.665 -10.857 -6.880 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 2.101 -11.735 -6.661 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 1.982 -10.143 -6.081 1.00 0.00 H new ATOM 1694 N LYS B 50 3.053 -6.856 -12.954 1.00 0.00 N ATOM 1695 CA LYS B 50 3.223 -6.775 -14.398 1.00 0.00 C ATOM 1696 C LYS B 50 3.716 -5.389 -14.780 1.00 0.00 C ATOM 1697 O LYS B 50 4.565 -5.250 -15.650 1.00 0.00 O ATOM 1698 CB LYS B 50 1.911 -7.050 -15.126 1.00 0.00 C ATOM 1699 CG LYS B 50 1.619 -8.559 -15.142 1.00 0.00 C ATOM 1700 CD LYS B 50 0.542 -8.877 -16.193 1.00 0.00 C ATOM 1701 CE LYS B 50 -0.795 -8.213 -15.828 1.00 0.00 C ATOM 1702 NZ LYS B 50 -1.305 -8.770 -14.545 1.00 0.00 N ATOM 0 H LYS B 50 2.081 -6.893 -12.647 1.00 0.00 H new ATOM 0 HA LYS B 50 3.952 -7.530 -14.692 1.00 0.00 H new ATOM 0 HB2 LYS B 50 1.096 -6.520 -14.634 1.00 0.00 H new ATOM 0 HB3 LYS B 50 1.967 -6.672 -16.147 1.00 0.00 H new ATOM 0 HG2 LYS B 50 2.531 -9.112 -15.366 1.00 0.00 H new ATOM 0 HG3 LYS B 50 1.284 -8.883 -14.157 1.00 0.00 H new ATOM 0 HD2 LYS B 50 0.870 -8.529 -17.172 1.00 0.00 H new ATOM 0 HD3 LYS B 50 0.408 -9.956 -16.267 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -0.663 -7.135 -15.739 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -1.523 -8.381 -16.622 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -2.103 -8.194 -14.209 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -1.623 -9.749 -14.694 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -0.546 -8.757 -13.835 1.00 0.00 H new ATOM 1716 N LEU B 51 3.174 -4.364 -14.114 1.00 0.00 N ATOM 1717 CA LEU B 51 3.580 -2.985 -14.385 1.00 0.00 C ATOM 1718 C LEU B 51 5.003 -2.799 -13.946 1.00 0.00 C ATOM 1719 O LEU B 51 5.812 -2.170 -14.627 1.00 0.00 O ATOM 1720 CB LEU B 51 2.676 -1.996 -13.643 1.00 0.00 C ATOM 1721 CG LEU B 51 1.780 -1.275 -14.643 1.00 0.00 C ATOM 1722 CD1 LEU B 51 2.645 -0.340 -15.503 1.00 0.00 C ATOM 1723 CD2 LEU B 51 1.042 -2.305 -15.523 1.00 0.00 C ATOM 0 H LEU B 51 2.461 -4.463 -13.391 1.00 0.00 H new ATOM 0 HA LEU B 51 3.491 -2.793 -15.454 1.00 0.00 H new ATOM 0 HB2 LEU B 51 2.068 -2.524 -12.909 1.00 0.00 H new ATOM 0 HB3 LEU B 51 3.282 -1.274 -13.095 1.00 0.00 H new ATOM 0 HG LEU B 51 1.032 -0.683 -14.116 1.00 0.00 H new ATOM 0 HD11 LEU B 51 2.013 0.181 -16.222 1.00 0.00 H new ATOM 0 HD12 LEU B 51 3.142 0.388 -14.862 1.00 0.00 H new ATOM 0 HD13 LEU B 51 3.395 -0.925 -16.036 1.00 0.00 H new ATOM 0 HD21 LEU B 51 0.403 -1.783 -16.236 1.00 0.00 H new ATOM 0 HD22 LEU B 51 1.770 -2.910 -16.063 1.00 0.00 H new ATOM 0 HD23 LEU B 51 0.431 -2.951 -14.893 1.00 0.00 H new ATOM 1735 N ASN B 52 5.296 -3.412 -12.822 1.00 0.00 N ATOM 1736 CA ASN B 52 6.624 -3.403 -12.278 1.00 0.00 C ATOM 1737 C ASN B 52 7.518 -4.028 -13.313 1.00 0.00 C ATOM 1738 O ASN B 52 8.594 -3.529 -13.633 1.00 0.00 O ATOM 1739 CB ASN B 52 6.614 -4.241 -11.008 1.00 0.00 C ATOM 1740 CG ASN B 52 8.003 -4.754 -10.680 1.00 0.00 C ATOM 1741 OD1 ASN B 52 8.422 -5.803 -11.168 1.00 0.00 O ATOM 1742 ND2 ASN B 52 8.733 -4.072 -9.877 1.00 0.00 N ATOM 0 H ASN B 52 4.617 -3.929 -12.263 1.00 0.00 H new ATOM 0 HA ASN B 52 6.972 -2.399 -12.038 1.00 0.00 H new ATOM 0 HB2 ASN B 52 6.238 -3.643 -10.177 1.00 0.00 H new ATOM 0 HB3 ASN B 52 5.932 -5.082 -11.129 1.00 0.00 H new ATOM 0 HD21 ASN B 52 9.670 -4.398 -9.638 1.00 0.00 H new ATOM 0 HD22 ASN B 52 8.377 -3.204 -9.477 1.00 0.00 H new ATOM 1749 N ASP B 53 6.999 -5.118 -13.850 1.00 0.00 N ATOM 1750 CA ASP B 53 7.683 -5.854 -14.906 1.00 0.00 C ATOM 1751 C ASP B 53 7.782 -4.981 -16.159 1.00 0.00 C ATOM 1752 O ASP B 53 8.768 -5.033 -16.897 1.00 0.00 O ATOM 1753 CB ASP B 53 6.928 -7.145 -15.247 1.00 0.00 C ATOM 1754 CG ASP B 53 7.902 -8.212 -15.752 1.00 0.00 C ATOM 1755 OD1 ASP B 53 8.520 -7.990 -16.782 1.00 0.00 O ATOM 1756 OD2 ASP B 53 8.018 -9.235 -15.099 1.00 0.00 O ATOM 0 H ASP B 53 6.102 -5.517 -13.573 1.00 0.00 H new ATOM 0 HA ASP B 53 8.681 -6.114 -14.554 1.00 0.00 H new ATOM 0 HB2 ASP B 53 6.402 -7.511 -14.365 1.00 0.00 H new ATOM 0 HB3 ASP B 53 6.173 -6.943 -16.007 1.00 0.00 H new ATOM 1761 N ALA B 54 6.735 -4.184 -16.384 1.00 0.00 N ATOM 1762 CA ALA B 54 6.669 -3.295 -17.537 1.00 0.00 C ATOM 1763 C ALA B 54 7.739 -2.214 -17.438 1.00 0.00 C ATOM 1764 O ALA B 54 8.357 -1.846 -18.439 1.00 0.00 O ATOM 1765 CB ALA B 54 5.280 -2.656 -17.606 1.00 0.00 C ATOM 0 H ALA B 54 5.918 -4.139 -15.776 1.00 0.00 H new ATOM 0 HA ALA B 54 6.848 -3.873 -18.444 1.00 0.00 H new ATOM 0 HB1 ALA B 54 5.228 -1.990 -18.468 1.00 0.00 H new ATOM 0 HB2 ALA B 54 4.525 -3.436 -17.704 1.00 0.00 H new ATOM 0 HB3 ALA B 54 5.096 -2.086 -16.695 1.00 0.00 H new ATOM 1771 N GLN B 55 7.954 -1.720 -16.218 1.00 0.00 N ATOM 1772 CA GLN B 55 8.954 -0.688 -15.974 1.00 0.00 C ATOM 1773 C GLN B 55 10.303 -1.309 -15.612 1.00 0.00 C ATOM 1774 O GLN B 55 11.306 -0.603 -15.481 1.00 0.00 O ATOM 1775 CB GLN B 55 8.470 0.201 -14.848 1.00 0.00 C ATOM 1776 CG GLN B 55 7.216 0.957 -15.289 1.00 0.00 C ATOM 1777 CD GLN B 55 6.345 1.246 -14.078 1.00 0.00 C ATOM 1778 OE1 GLN B 55 6.087 2.403 -13.753 1.00 0.00 O ATOM 1779 NE2 GLN B 55 5.880 0.245 -13.385 1.00 0.00 N ATOM 0 H GLN B 55 7.447 -2.020 -15.385 1.00 0.00 H new ATOM 0 HA GLN B 55 9.091 -0.100 -16.881 1.00 0.00 H new ATOM 0 HB2 GLN B 55 8.252 -0.400 -13.965 1.00 0.00 H new ATOM 0 HB3 GLN B 55 9.252 0.907 -14.568 1.00 0.00 H new ATOM 0 HG2 GLN B 55 7.495 1.889 -15.780 1.00 0.00 H new ATOM 0 HG3 GLN B 55 6.660 0.367 -16.017 1.00 0.00 H new ATOM 0 HE21 GLN B 55 6.099 -0.712 -13.662 1.00 0.00 H new ATOM 0 HE22 GLN B 55 5.297 0.419 -12.566 1.00 0.00 H new ATOM 1788 N ALA B 56 10.316 -2.634 -15.456 1.00 0.00 N ATOM 1789 CA ALA B 56 11.542 -3.358 -15.111 1.00 0.00 C ATOM 1790 C ALA B 56 12.522 -3.346 -16.274 1.00 0.00 C ATOM 1791 O ALA B 56 12.162 -2.993 -17.399 1.00 0.00 O ATOM 1792 CB ALA B 56 11.219 -4.803 -14.739 1.00 0.00 C ATOM 0 H ALA B 56 9.493 -3.227 -15.563 1.00 0.00 H new ATOM 0 HA ALA B 56 11.998 -2.857 -14.257 1.00 0.00 H new ATOM 0 HB1 ALA B 56 12.140 -5.328 -14.485 1.00 0.00 H new ATOM 0 HB2 ALA B 56 10.546 -4.816 -13.882 1.00 0.00 H new ATOM 0 HB3 ALA B 56 10.740 -5.298 -15.584 1.00 0.00 H new ATOM 1798 N PRO B 57 13.758 -3.711 -16.017 1.00 0.00 N ATOM 1799 CA PRO B 57 14.824 -3.729 -17.049 1.00 0.00 C ATOM 1800 C PRO B 57 14.763 -4.973 -17.935 1.00 0.00 C ATOM 1801 O PRO B 57 15.789 -5.535 -18.327 1.00 0.00 O ATOM 1802 CB PRO B 57 16.123 -3.668 -16.226 1.00 0.00 C ATOM 1803 CG PRO B 57 15.721 -3.641 -14.786 1.00 0.00 C ATOM 1804 CD PRO B 57 14.292 -4.143 -14.724 1.00 0.00 C ATOM 0 HA PRO B 57 14.731 -2.903 -17.754 1.00 0.00 H new ATOM 0 HB2 PRO B 57 16.754 -4.532 -16.435 1.00 0.00 H new ATOM 0 HB3 PRO B 57 16.702 -2.781 -16.483 1.00 0.00 H new ATOM 0 HG2 PRO B 57 16.379 -4.272 -14.188 1.00 0.00 H new ATOM 0 HG3 PRO B 57 15.794 -2.631 -14.382 1.00 0.00 H new ATOM 0 HD2 PRO B 57 14.245 -5.225 -14.605 1.00 0.00 H new ATOM 0 HD3 PRO B 57 13.743 -3.707 -13.890 1.00 0.00 H new ATOM 1812 N LYS B 58 13.543 -5.376 -18.250 1.00 0.00 N ATOM 1813 CA LYS B 58 13.311 -6.544 -19.099 1.00 0.00 C ATOM 1814 C LYS B 58 13.594 -6.212 -20.567 1.00 0.00 C ATOM 1815 O LYS B 58 14.212 -7.028 -21.230 1.00 0.00 O ATOM 1816 CB LYS B 58 11.866 -7.025 -18.943 1.00 0.00 C ATOM 1817 CG LYS B 58 11.804 -8.181 -17.936 1.00 0.00 C ATOM 1818 CD LYS B 58 11.920 -7.627 -16.509 1.00 0.00 C ATOM 1819 CE LYS B 58 12.035 -8.781 -15.507 1.00 0.00 C ATOM 1820 NZ LYS B 58 10.775 -9.577 -15.517 1.00 0.00 N ATOM 1821 OXT LYS B 58 13.189 -5.146 -21.004 1.00 0.00 O ATOM 0 H LYS B 58 12.692 -4.913 -17.932 1.00 0.00 H new ATOM 0 HA LYS B 58 13.990 -7.337 -18.787 1.00 0.00 H new ATOM 0 HB2 LYS B 58 11.235 -6.203 -18.605 1.00 0.00 H new ATOM 0 HB3 LYS B 58 11.476 -7.351 -19.907 1.00 0.00 H new ATOM 0 HG2 LYS B 58 10.867 -8.726 -18.050 1.00 0.00 H new ATOM 0 HG3 LYS B 58 12.610 -8.889 -18.129 1.00 0.00 H new ATOM 0 HD2 LYS B 58 12.793 -6.979 -16.431 1.00 0.00 H new ATOM 0 HD3 LYS B 58 11.048 -7.017 -16.275 1.00 0.00 H new ATOM 0 HE2 LYS B 58 12.881 -9.417 -15.765 1.00 0.00 H new ATOM 0 HE3 LYS B 58 12.223 -8.391 -14.507 1.00 0.00 H new ATOM 0 HZ1 LYS B 58 10.357 -9.578 -14.565 1.00 0.00 H new ATOM 0 HZ2 LYS B 58 10.103 -9.155 -16.189 1.00 0.00 H new ATOM 0 HZ3 LYS B 58 10.984 -10.554 -15.804 1.00 0.00 H new TER 1835 LYS B 58