USER MOD reduce.3.24.130724 H: found=0, std=0, add=1114, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1107 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 LYS NZ :NH3+ -175:sc= -0.102 (180deg=-0.141) USER MOD Set 1.2: A 63 MET CE :methyl 174:sc= -2.34 (180deg=-2.36!) USER MOD Set 2.1: A 31 HIS : no HE2:sc= -1.76 K(o=-2.3,f=-2.9) USER MOD Set 2.2: A 42 GLN : amide:sc= -0.151 K(o=-2.3,f=-3.4) USER MOD Set 2.3: A 45 MET CE :methyl -154:sc= -0.344 (180deg=0) USER MOD Set 3.1: A 14 THR OG1 : rot 82:sc= 2.58 USER MOD Set 3.2: A 18 TYR OH : rot 94:sc= 1.19 USER MOD Single : A 1 GLY N :NH3+ -176:sc= -0.198 (180deg=-0.274) USER MOD Single : A 2 SER OG : rot 25:sc= 1.22 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 153:sc= 0.0573 (180deg=-0.108) USER MOD Single : A 16 GLN : amide:sc= -0.0389 X(o=-0.039,f=0) USER MOD Single : A 17 MET CE :methyl -166:sc= -0.487 (180deg=-1.59) USER MOD Single : A 20 MET CE :methyl -105:sc= -1.58 (180deg=-2.21) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0.982 K(o=0.98,f=-0.3) USER MOD Single : A 35 CYS SG : rot 30:sc= -1.46 USER MOD Single : A 36 GLN : amide:sc= 0.851 K(o=0.85,f=-0.36) USER MOD Single : A 38 ASN : amide:sc= -0.509 K(o=-0.51,f=-1.5) USER MOD Single : A 39 LYS NZ :NH3+ -120:sc= 0.304 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= -0.283 K(o=-0.28,f=-3.2!) USER MOD Single : A 53 SER OG : rot -27:sc= 0.212 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 58 HIS : no HD1:sc= -0.143 X(o=-0.14,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 167:sc=-0.00929 (180deg=-0.171) USER MOD Single : A 64 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00619) USER MOD Single : A 65 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0563) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 SER OG : rot -39:sc= 1.21 USER MOD Single : A 83 THR OG1 : rot -40:sc= 1.03 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.596 K(o=-0.6,f=-3.5!) USER MOD Single : A 102 SER OG : rot -18:sc= 1.27 USER MOD Single : A 104 SER OG : rot -47:sc= 1.29 USER MOD Single : A 105 CYS SG : rot -73:sc= 0.0112 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 180:sc= 0.275 USER MOD Single : A 114 LYS NZ :NH3+ 138:sc= 0.377 (180deg=-0.0598) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 GLN :FLIP amide:sc= 0 F(o=-0.67,f=0) USER MOD Single : A 122 HIS : no HE2:sc= 0.488 K(o=0.49,f=-2!) USER MOD Single : A 131 HIS : no HE2:sc= 0.793 K(o=0.79,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.153 12.208 7.420 1.00 0.00 N ATOM 2 CA GLY A 1 -23.942 11.025 7.159 1.00 0.00 C ATOM 3 C GLY A 1 -23.649 9.980 8.188 1.00 0.00 C ATOM 4 O GLY A 1 -24.276 8.923 8.231 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.411 12.954 6.743 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.337 12.541 8.388 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.143 11.981 7.318 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -25.003 11.275 7.173 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.718 10.641 6.164 1.00 0.00 H new ATOM 8 N SER A 2 -22.655 10.254 9.056 1.00 0.00 N ATOM 9 CA SER A 2 -22.186 9.417 10.151 1.00 0.00 C ATOM 10 C SER A 2 -21.149 10.273 10.870 1.00 0.00 C ATOM 11 O SER A 2 -20.651 11.203 10.232 1.00 0.00 O ATOM 12 CB SER A 2 -21.577 8.053 9.700 1.00 0.00 C ATOM 13 OG SER A 2 -22.613 7.155 9.303 1.00 0.00 O ATOM 0 H SER A 2 -22.131 11.127 8.997 1.00 0.00 H new ATOM 0 HA SER A 2 -23.021 9.124 10.787 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.887 8.211 8.872 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.001 7.617 10.516 1.00 0.00 H new ATOM 0 HG SER A 2 -23.400 7.667 9.022 1.00 0.00 H new ATOM 19 N PRO A 3 -20.791 10.081 12.165 1.00 0.00 N ATOM 20 CA PRO A 3 -19.856 10.936 12.903 1.00 0.00 C ATOM 21 C PRO A 3 -18.368 10.627 12.636 1.00 0.00 C ATOM 22 O PRO A 3 -18.026 9.616 12.027 1.00 0.00 O ATOM 23 CB PRO A 3 -20.240 10.695 14.393 1.00 0.00 C ATOM 24 CG PRO A 3 -21.563 9.916 14.349 1.00 0.00 C ATOM 25 CD PRO A 3 -21.398 9.112 13.064 1.00 0.00 C ATOM 0 HA PRO A 3 -19.945 11.977 12.592 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -19.467 10.128 14.912 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -20.356 11.638 14.927 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -21.691 9.275 15.221 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -22.428 10.578 14.311 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -20.762 8.239 13.210 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -22.354 8.750 12.686 1.00 0.00 H new ATOM 33 N GLU A 4 -17.481 11.523 13.123 1.00 0.00 N ATOM 34 CA GLU A 4 -16.025 11.496 12.981 1.00 0.00 C ATOM 35 C GLU A 4 -15.294 10.725 14.084 1.00 0.00 C ATOM 36 O GLU A 4 -14.280 10.078 13.831 1.00 0.00 O ATOM 37 CB GLU A 4 -15.479 12.950 12.949 1.00 0.00 C ATOM 38 CG GLU A 4 -16.036 13.787 11.782 1.00 0.00 C ATOM 39 CD GLU A 4 -15.496 15.215 11.875 1.00 0.00 C ATOM 40 OE1 GLU A 4 -14.250 15.386 11.812 1.00 0.00 O ATOM 41 OE2 GLU A 4 -16.326 16.154 12.010 1.00 0.00 O ATOM 0 H GLU A 4 -17.793 12.333 13.659 1.00 0.00 H new ATOM 0 HA GLU A 4 -15.830 10.968 12.048 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -15.724 13.443 13.890 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -14.392 12.920 12.879 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -15.749 13.340 10.830 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -17.125 13.796 11.814 1.00 0.00 H new ATOM 48 N PHE A 5 -15.813 10.831 15.338 1.00 0.00 N ATOM 49 CA PHE A 5 -15.331 10.225 16.582 1.00 0.00 C ATOM 50 C PHE A 5 -14.082 10.914 17.170 1.00 0.00 C ATOM 51 O PHE A 5 -13.138 10.304 17.667 1.00 0.00 O ATOM 52 CB PHE A 5 -15.236 8.664 16.490 1.00 0.00 C ATOM 53 CG PHE A 5 -15.203 7.993 17.849 1.00 0.00 C ATOM 54 CD1 PHE A 5 -16.303 8.038 18.696 1.00 0.00 C ATOM 55 CD2 PHE A 5 -14.054 7.359 18.293 1.00 0.00 C ATOM 56 CE1 PHE A 5 -16.237 7.509 19.968 1.00 0.00 C ATOM 57 CE2 PHE A 5 -13.994 6.817 19.557 1.00 0.00 C ATOM 58 CZ PHE A 5 -15.081 6.900 20.400 1.00 0.00 C ATOM 0 H PHE A 5 -16.649 11.392 15.504 1.00 0.00 H new ATOM 0 HA PHE A 5 -16.100 10.419 17.330 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -16.088 8.286 15.925 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -14.339 8.392 15.934 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -17.221 8.493 18.354 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -13.196 7.289 17.641 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -17.092 7.573 20.625 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -13.092 6.325 19.889 1.00 0.00 H new ATOM 0 HZ PHE A 5 -15.026 6.488 21.397 1.00 0.00 H new ATOM 68 N ARG A 6 -14.074 12.269 17.142 1.00 0.00 N ATOM 69 CA ARG A 6 -13.002 13.135 17.600 1.00 0.00 C ATOM 70 C ARG A 6 -13.211 13.624 19.026 1.00 0.00 C ATOM 71 O ARG A 6 -13.503 14.777 19.336 1.00 0.00 O ATOM 72 CB ARG A 6 -12.792 14.292 16.618 1.00 0.00 C ATOM 73 CG ARG A 6 -14.073 15.049 16.240 1.00 0.00 C ATOM 74 CD ARG A 6 -13.699 16.424 15.698 1.00 0.00 C ATOM 75 NE ARG A 6 -14.941 17.120 15.216 1.00 0.00 N ATOM 76 CZ ARG A 6 -14.918 18.350 14.613 1.00 0.00 C ATOM 77 NH1 ARG A 6 -13.745 19.023 14.437 1.00 0.00 N ATOM 78 NH2 ARG A 6 -16.088 18.906 14.180 1.00 0.00 N ATOM 0 H ARG A 6 -14.866 12.798 16.777 1.00 0.00 H new ATOM 0 HA ARG A 6 -12.088 12.541 17.624 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -12.084 14.997 17.054 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -12.335 13.901 15.709 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -14.633 14.489 15.491 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -14.720 15.152 17.111 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -13.215 17.015 16.475 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -12.984 16.324 14.882 1.00 0.00 H new ATOM 0 HE ARG A 6 -15.840 16.656 15.343 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -12.868 18.611 14.756 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -13.745 19.938 13.986 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -16.968 18.406 14.307 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -16.082 19.821 13.730 1.00 0.00 H new ATOM 92 N TRP A 7 -13.037 12.647 19.922 1.00 0.00 N ATOM 93 CA TRP A 7 -13.158 12.701 21.361 1.00 0.00 C ATOM 94 C TRP A 7 -11.828 13.045 22.059 1.00 0.00 C ATOM 95 O TRP A 7 -11.102 13.929 21.613 1.00 0.00 O ATOM 96 CB TRP A 7 -13.836 11.367 21.797 1.00 0.00 C ATOM 97 CG TRP A 7 -13.049 10.046 21.760 1.00 0.00 C ATOM 98 CD1 TRP A 7 -11.974 9.617 21.031 1.00 0.00 C ATOM 99 CD2 TRP A 7 -13.411 8.958 22.615 1.00 0.00 C ATOM 100 NE1 TRP A 7 -11.619 8.339 21.420 1.00 0.00 N ATOM 101 CE2 TRP A 7 -12.508 7.924 22.392 1.00 0.00 C ATOM 102 CE3 TRP A 7 -14.430 8.841 23.507 1.00 0.00 C ATOM 103 CZ2 TRP A 7 -12.609 6.749 23.083 1.00 0.00 C ATOM 104 CZ3 TRP A 7 -14.526 7.666 24.225 1.00 0.00 C ATOM 105 CH2 TRP A 7 -13.622 6.639 24.017 1.00 0.00 C ATOM 0 H TRP A 7 -12.782 11.709 19.613 1.00 0.00 H new ATOM 0 HA TRP A 7 -13.790 13.528 21.686 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -14.188 11.504 22.819 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -14.718 11.234 21.171 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -11.476 10.192 20.264 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -10.837 7.797 21.053 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -15.141 9.641 23.649 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -11.922 5.935 22.905 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -15.313 7.547 24.955 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -13.710 5.732 24.597 1.00 0.00 H new ATOM 116 N THR A 8 -11.454 12.359 23.176 1.00 0.00 N ATOM 117 CA THR A 8 -10.211 12.592 23.918 1.00 0.00 C ATOM 118 C THR A 8 -9.150 11.555 23.554 1.00 0.00 C ATOM 119 O THR A 8 -7.982 11.890 23.403 1.00 0.00 O ATOM 120 CB THR A 8 -10.432 12.760 25.442 1.00 0.00 C ATOM 121 OG1 THR A 8 -9.338 13.383 26.118 1.00 0.00 O ATOM 122 CG2 THR A 8 -10.771 11.448 26.177 1.00 0.00 C ATOM 0 H THR A 8 -12.027 11.619 23.581 1.00 0.00 H new ATOM 0 HA THR A 8 -9.819 13.558 23.601 1.00 0.00 H new ATOM 0 HB THR A 8 -11.299 13.419 25.485 1.00 0.00 H new ATOM 0 HG1 THR A 8 -9.544 13.459 27.073 1.00 0.00 H new ATOM 0 HG21 THR A 8 -10.911 11.651 27.239 1.00 0.00 H new ATOM 0 HG22 THR A 8 -11.688 11.026 25.765 1.00 0.00 H new ATOM 0 HG23 THR A 8 -9.955 10.737 26.048 1.00 0.00 H new ATOM 130 N LYS A 9 -9.505 10.244 23.434 1.00 0.00 N ATOM 131 CA LYS A 9 -8.602 9.118 23.146 1.00 0.00 C ATOM 132 C LYS A 9 -7.988 8.954 21.768 1.00 0.00 C ATOM 133 O LYS A 9 -6.894 8.410 21.666 1.00 0.00 O ATOM 134 CB LYS A 9 -9.056 7.753 23.722 1.00 0.00 C ATOM 135 CG LYS A 9 -9.604 7.839 25.154 1.00 0.00 C ATOM 136 CD LYS A 9 -9.941 6.458 25.738 1.00 0.00 C ATOM 137 CE LYS A 9 -10.544 6.523 27.150 1.00 0.00 C ATOM 138 NZ LYS A 9 -11.838 7.248 27.153 1.00 0.00 N ATOM 0 H LYS A 9 -10.473 9.942 23.542 1.00 0.00 H new ATOM 0 HA LYS A 9 -7.756 9.495 23.720 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.824 7.332 23.073 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.212 7.063 23.706 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.869 8.330 25.792 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.499 8.461 25.161 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.642 5.952 25.074 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.035 5.852 25.765 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -10.690 5.513 27.532 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -9.845 7.020 27.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -12.425 6.907 27.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -11.665 8.267 27.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -12.333 7.079 26.254 1.00 0.00 H new ATOM 152 N GLU A 10 -8.618 9.415 20.649 1.00 0.00 N ATOM 153 CA GLU A 10 -8.063 9.386 19.278 1.00 0.00 C ATOM 154 C GLU A 10 -6.674 10.072 19.066 1.00 0.00 C ATOM 155 O GLU A 10 -5.947 9.821 18.110 1.00 0.00 O ATOM 156 CB GLU A 10 -9.130 9.971 18.316 1.00 0.00 C ATOM 157 CG GLU A 10 -8.977 9.519 16.857 1.00 0.00 C ATOM 158 CD GLU A 10 -10.157 10.031 16.032 1.00 0.00 C ATOM 159 OE1 GLU A 10 -10.286 11.277 15.895 1.00 0.00 O ATOM 160 OE2 GLU A 10 -10.944 9.185 15.528 1.00 0.00 O ATOM 0 H GLU A 10 -9.551 9.827 20.685 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.844 8.340 19.064 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.120 9.684 18.672 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.080 11.059 18.355 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.042 9.898 16.445 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.930 8.431 16.806 1.00 0.00 H new ATOM 167 N GLU A 11 -6.277 10.891 20.076 1.00 0.00 N ATOM 168 CA GLU A 11 -5.049 11.598 20.381 1.00 0.00 C ATOM 169 C GLU A 11 -3.967 10.696 20.987 1.00 0.00 C ATOM 170 O GLU A 11 -2.774 10.936 20.822 1.00 0.00 O ATOM 171 CB GLU A 11 -5.366 12.708 21.420 1.00 0.00 C ATOM 172 CG GLU A 11 -6.103 13.912 20.790 1.00 0.00 C ATOM 173 CD GLU A 11 -7.616 13.887 21.012 1.00 0.00 C ATOM 174 OE1 GLU A 11 -8.312 13.059 20.367 1.00 0.00 O ATOM 175 OE2 GLU A 11 -8.101 14.720 21.825 1.00 0.00 O ATOM 0 H GLU A 11 -6.953 11.088 20.814 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.668 11.996 19.440 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.977 12.289 22.220 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.437 13.052 21.875 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.698 14.834 21.207 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.901 13.931 19.719 1.00 0.00 H new ATOM 182 N GLU A 12 -4.372 9.612 21.714 1.00 0.00 N ATOM 183 CA GLU A 12 -3.491 8.613 22.329 1.00 0.00 C ATOM 184 C GLU A 12 -2.833 7.698 21.291 1.00 0.00 C ATOM 185 O GLU A 12 -1.653 7.388 21.395 1.00 0.00 O ATOM 186 CB GLU A 12 -4.246 7.774 23.395 1.00 0.00 C ATOM 187 CG GLU A 12 -4.818 8.643 24.534 1.00 0.00 C ATOM 188 CD GLU A 12 -5.619 7.810 25.539 1.00 0.00 C ATOM 189 OE1 GLU A 12 -5.743 6.571 25.348 1.00 0.00 O ATOM 190 OE2 GLU A 12 -6.127 8.419 26.519 1.00 0.00 O ATOM 0 H GLU A 12 -5.359 9.418 21.884 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.694 9.166 22.826 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.059 7.229 22.915 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.568 7.031 23.815 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.002 9.149 25.050 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.458 9.418 24.113 1.00 0.00 H new ATOM 197 N GLU A 13 -3.593 7.307 20.235 1.00 0.00 N ATOM 198 CA GLU A 13 -3.255 6.525 19.065 1.00 0.00 C ATOM 199 C GLU A 13 -2.131 7.001 18.121 1.00 0.00 C ATOM 200 O GLU A 13 -1.232 6.262 17.734 1.00 0.00 O ATOM 201 CB GLU A 13 -4.630 6.517 18.346 1.00 0.00 C ATOM 202 CG GLU A 13 -4.746 5.649 17.101 1.00 0.00 C ATOM 203 CD GLU A 13 -4.390 4.202 17.423 1.00 0.00 C ATOM 204 OE1 GLU A 13 -5.137 3.568 18.216 1.00 0.00 O ATOM 205 OE2 GLU A 13 -3.369 3.707 16.877 1.00 0.00 O ATOM 0 H GLU A 13 -4.576 7.578 20.202 1.00 0.00 H new ATOM 0 HA GLU A 13 -2.814 5.574 19.366 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.385 6.190 19.060 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -4.875 7.542 18.070 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.761 5.701 16.708 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.083 6.028 16.323 1.00 0.00 H new ATOM 212 N THR A 14 -2.185 8.299 17.781 1.00 0.00 N ATOM 213 CA THR A 14 -1.356 9.207 16.999 1.00 0.00 C ATOM 214 C THR A 14 -0.024 9.485 17.737 1.00 0.00 C ATOM 215 O THR A 14 1.003 9.774 17.134 1.00 0.00 O ATOM 216 CB THR A 14 -2.160 10.477 16.630 1.00 0.00 C ATOM 217 OG1 THR A 14 -1.487 11.354 15.738 1.00 0.00 O ATOM 218 CG2 THR A 14 -2.635 11.306 17.820 1.00 0.00 C ATOM 0 H THR A 14 -2.983 8.830 18.129 1.00 0.00 H new ATOM 0 HA THR A 14 -1.077 8.746 16.051 1.00 0.00 H new ATOM 0 HB THR A 14 -3.028 10.044 16.133 1.00 0.00 H new ATOM 0 HG1 THR A 14 -1.606 11.039 14.818 1.00 0.00 H new ATOM 0 HG21 THR A 14 -3.188 12.174 17.461 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.283 10.698 18.451 1.00 0.00 H new ATOM 0 HG23 THR A 14 -1.773 11.639 18.399 1.00 0.00 H new ATOM 226 N ARG A 15 -0.042 9.420 19.100 1.00 0.00 N ATOM 227 CA ARG A 15 1.067 9.597 20.036 1.00 0.00 C ATOM 228 C ARG A 15 1.798 8.264 20.283 1.00 0.00 C ATOM 229 O ARG A 15 1.153 7.228 20.406 1.00 0.00 O ATOM 230 CB ARG A 15 0.500 10.182 21.364 1.00 0.00 C ATOM 231 CG ARG A 15 1.530 10.750 22.363 1.00 0.00 C ATOM 232 CD ARG A 15 2.303 11.981 21.856 1.00 0.00 C ATOM 233 NE ARG A 15 1.320 13.086 21.567 1.00 0.00 N ATOM 234 CZ ARG A 15 1.667 14.271 20.972 1.00 0.00 C ATOM 235 NH1 ARG A 15 2.957 14.524 20.609 1.00 0.00 N ATOM 236 NH2 ARG A 15 0.701 15.207 20.734 1.00 0.00 N ATOM 0 H ARG A 15 -0.912 9.226 19.595 1.00 0.00 H new ATOM 0 HA ARG A 15 1.799 10.287 19.615 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -0.205 10.975 21.114 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -0.067 9.399 21.867 1.00 0.00 H new ATOM 0 HG2 ARG A 15 1.014 11.016 23.285 1.00 0.00 H new ATOM 0 HG3 ARG A 15 2.245 9.966 22.613 1.00 0.00 H new ATOM 0 HD2 ARG A 15 3.027 12.306 22.603 1.00 0.00 H new ATOM 0 HD3 ARG A 15 2.864 11.730 20.956 1.00 0.00 H new ATOM 0 HE ARG A 15 0.344 12.945 21.828 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.681 13.826 20.779 1.00 0.00 H new ATOM 0 HH12 ARG A 15 3.198 15.411 20.167 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -0.266 15.020 20.998 1.00 0.00 H new ATOM 0 HH22 ARG A 15 0.947 16.093 20.292 1.00 0.00 H new ATOM 250 N GLN A 16 3.170 8.278 20.307 1.00 0.00 N ATOM 251 CA GLN A 16 4.104 7.145 20.434 1.00 0.00 C ATOM 252 C GLN A 16 4.699 6.847 19.048 1.00 0.00 C ATOM 253 O GLN A 16 5.859 6.457 18.910 1.00 0.00 O ATOM 254 CB GLN A 16 3.557 5.859 21.161 1.00 0.00 C ATOM 255 CG GLN A 16 4.587 4.876 21.775 1.00 0.00 C ATOM 256 CD GLN A 16 5.170 5.384 23.099 1.00 0.00 C ATOM 257 OE1 GLN A 16 4.691 5.078 24.192 1.00 0.00 O ATOM 258 NE2 GLN A 16 6.266 6.176 22.997 1.00 0.00 N ATOM 0 H GLN A 16 3.676 9.161 20.231 1.00 0.00 H new ATOM 0 HA GLN A 16 4.885 7.462 21.125 1.00 0.00 H new ATOM 0 HB2 GLN A 16 2.890 6.185 21.959 1.00 0.00 H new ATOM 0 HB3 GLN A 16 2.951 5.303 20.446 1.00 0.00 H new ATOM 0 HG2 GLN A 16 4.109 3.910 21.940 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.397 4.713 21.064 1.00 0.00 H new ATOM 0 HE21 GLN A 16 6.640 6.413 22.078 1.00 0.00 H new ATOM 0 HE22 GLN A 16 6.716 6.535 23.839 1.00 0.00 H new ATOM 267 N MET A 17 3.864 7.080 17.995 1.00 0.00 N ATOM 268 CA MET A 17 4.014 6.929 16.546 1.00 0.00 C ATOM 269 C MET A 17 5.040 7.834 15.853 1.00 0.00 C ATOM 270 O MET A 17 5.725 7.403 14.924 1.00 0.00 O ATOM 271 CB MET A 17 2.589 7.185 15.983 1.00 0.00 C ATOM 272 CG MET A 17 2.260 6.933 14.493 1.00 0.00 C ATOM 273 SD MET A 17 2.519 8.297 13.305 1.00 0.00 S ATOM 274 CE MET A 17 1.814 9.766 14.104 1.00 0.00 C ATOM 0 H MET A 17 2.928 7.433 18.195 1.00 0.00 H new ATOM 0 HA MET A 17 4.419 5.938 16.344 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.901 6.575 16.569 1.00 0.00 H new ATOM 0 HB3 MET A 17 2.347 8.227 16.191 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.857 6.084 14.160 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.214 6.631 14.430 1.00 0.00 H new ATOM 0 HE1 MET A 17 1.704 10.563 13.368 1.00 0.00 H new ATOM 0 HE2 MET A 17 0.837 9.520 14.521 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.476 10.099 14.903 1.00 0.00 H new ATOM 284 N TYR A 18 5.182 9.112 16.325 1.00 0.00 N ATOM 285 CA TYR A 18 6.048 10.226 15.901 1.00 0.00 C ATOM 286 C TYR A 18 7.552 9.954 15.797 1.00 0.00 C ATOM 287 O TYR A 18 8.276 10.718 15.171 1.00 0.00 O ATOM 288 CB TYR A 18 5.823 11.499 16.786 1.00 0.00 C ATOM 289 CG TYR A 18 4.387 11.992 16.710 1.00 0.00 C ATOM 290 CD1 TYR A 18 3.931 12.539 15.520 1.00 0.00 C ATOM 291 CD2 TYR A 18 3.502 11.960 17.785 1.00 0.00 C ATOM 292 CE1 TYR A 18 2.630 12.987 15.379 1.00 0.00 C ATOM 293 CE2 TYR A 18 2.208 12.433 17.651 1.00 0.00 C ATOM 294 CZ TYR A 18 1.757 12.908 16.442 1.00 0.00 C ATOM 295 OH TYR A 18 0.399 13.277 16.305 1.00 0.00 O ATOM 0 H TYR A 18 4.609 9.408 17.116 1.00 0.00 H new ATOM 0 HA TYR A 18 5.720 10.385 14.874 1.00 0.00 H new ATOM 0 HB2 TYR A 18 6.075 11.271 17.822 1.00 0.00 H new ATOM 0 HB3 TYR A 18 6.497 12.291 16.461 1.00 0.00 H new ATOM 0 HD1 TYR A 18 4.609 12.617 14.683 1.00 0.00 H new ATOM 0 HD2 TYR A 18 3.829 11.562 18.734 1.00 0.00 H new ATOM 0 HE1 TYR A 18 2.299 13.398 14.437 1.00 0.00 H new ATOM 0 HE2 TYR A 18 1.546 12.429 18.504 1.00 0.00 H new ATOM 0 HH TYR A 18 -0.137 12.482 16.104 1.00 0.00 H new ATOM 305 N ASP A 19 8.047 8.859 16.424 1.00 0.00 N ATOM 306 CA ASP A 19 9.415 8.355 16.346 1.00 0.00 C ATOM 307 C ASP A 19 9.465 7.108 15.456 1.00 0.00 C ATOM 308 O ASP A 19 10.103 7.129 14.409 1.00 0.00 O ATOM 309 CB ASP A 19 10.096 8.138 17.738 1.00 0.00 C ATOM 310 CG ASP A 19 9.220 7.403 18.764 1.00 0.00 C ATOM 311 OD1 ASP A 19 8.340 8.067 19.375 1.00 0.00 O ATOM 312 OD2 ASP A 19 9.433 6.178 18.959 1.00 0.00 O ATOM 0 H ASP A 19 7.461 8.282 17.027 1.00 0.00 H new ATOM 0 HA ASP A 19 10.018 9.135 15.880 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.017 7.574 17.594 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.377 9.109 18.147 1.00 0.00 H new ATOM 317 N MET A 20 8.768 5.992 15.844 1.00 0.00 N ATOM 318 CA MET A 20 8.712 4.668 15.191 1.00 0.00 C ATOM 319 C MET A 20 8.276 4.605 13.725 1.00 0.00 C ATOM 320 O MET A 20 8.797 3.798 12.954 1.00 0.00 O ATOM 321 CB MET A 20 7.978 3.639 16.112 1.00 0.00 C ATOM 322 CG MET A 20 7.941 2.181 15.645 1.00 0.00 C ATOM 323 SD MET A 20 6.563 1.671 14.593 1.00 0.00 S ATOM 324 CE MET A 20 7.687 0.835 13.443 1.00 0.00 C ATOM 0 H MET A 20 8.192 6.011 16.686 1.00 0.00 H new ATOM 0 HA MET A 20 9.758 4.380 15.084 1.00 0.00 H new ATOM 0 HB2 MET A 20 8.451 3.667 17.093 1.00 0.00 H new ATOM 0 HB3 MET A 20 6.950 3.977 16.244 1.00 0.00 H new ATOM 0 HG2 MET A 20 8.867 1.978 15.107 1.00 0.00 H new ATOM 0 HG3 MET A 20 7.940 1.545 16.530 1.00 0.00 H new ATOM 0 HE1 MET A 20 7.794 1.434 12.539 1.00 0.00 H new ATOM 0 HE2 MET A 20 8.662 0.710 13.913 1.00 0.00 H new ATOM 0 HE3 MET A 20 7.281 -0.143 13.184 1.00 0.00 H new ATOM 334 N VAL A 21 7.378 5.526 13.269 1.00 0.00 N ATOM 335 CA VAL A 21 7.061 5.696 11.816 1.00 0.00 C ATOM 336 C VAL A 21 8.132 6.400 11.015 1.00 0.00 C ATOM 337 O VAL A 21 8.241 6.125 9.827 1.00 0.00 O ATOM 338 CB VAL A 21 5.672 6.150 11.369 1.00 0.00 C ATOM 339 CG1 VAL A 21 4.642 5.286 12.105 1.00 0.00 C ATOM 340 CG2 VAL A 21 5.444 7.668 11.581 1.00 0.00 C ATOM 0 H VAL A 21 6.863 6.159 13.881 1.00 0.00 H new ATOM 0 HA VAL A 21 7.042 4.633 11.573 1.00 0.00 H new ATOM 0 HB VAL A 21 5.566 6.010 10.293 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.637 5.585 11.808 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.799 4.238 11.851 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.757 5.420 13.181 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.442 7.936 11.247 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.549 7.907 12.639 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.180 8.230 11.007 1.00 0.00 H new ATOM 350 N VAL A 22 8.920 7.356 11.595 1.00 0.00 N ATOM 351 CA VAL A 22 9.978 8.154 10.930 1.00 0.00 C ATOM 352 C VAL A 22 11.050 7.347 10.169 1.00 0.00 C ATOM 353 O VAL A 22 11.476 7.751 9.093 1.00 0.00 O ATOM 354 CB VAL A 22 10.574 9.201 11.880 1.00 0.00 C ATOM 355 CG1 VAL A 22 11.757 9.999 11.284 1.00 0.00 C ATOM 356 CG2 VAL A 22 9.446 10.178 12.273 1.00 0.00 C ATOM 0 H VAL A 22 8.824 7.595 12.582 1.00 0.00 H new ATOM 0 HA VAL A 22 9.462 8.683 10.129 1.00 0.00 H new ATOM 0 HB VAL A 22 10.980 8.666 12.739 1.00 0.00 H new ATOM 0 HG11 VAL A 22 12.119 10.717 12.020 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.562 9.313 11.020 1.00 0.00 H new ATOM 0 HG13 VAL A 22 11.425 10.530 10.392 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.840 10.936 12.950 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.054 10.660 11.378 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.646 9.629 12.770 1.00 0.00 H new ATOM 366 N LYS A 23 11.465 6.136 10.641 1.00 0.00 N ATOM 367 CA LYS A 23 12.250 5.168 9.853 1.00 0.00 C ATOM 368 C LYS A 23 11.462 4.411 8.777 1.00 0.00 C ATOM 369 O LYS A 23 12.028 3.950 7.791 1.00 0.00 O ATOM 370 CB LYS A 23 13.056 4.174 10.727 1.00 0.00 C ATOM 371 CG LYS A 23 12.201 3.252 11.612 1.00 0.00 C ATOM 372 CD LYS A 23 12.523 3.402 13.101 1.00 0.00 C ATOM 373 CE LYS A 23 12.122 4.774 13.644 1.00 0.00 C ATOM 374 NZ LYS A 23 12.339 4.848 15.106 1.00 0.00 N ATOM 0 H LYS A 23 11.258 5.812 11.586 1.00 0.00 H new ATOM 0 HA LYS A 23 12.954 5.809 9.322 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.674 3.557 10.075 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.734 4.741 11.365 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.146 3.473 11.448 1.00 0.00 H new ATOM 0 HG3 LYS A 23 12.360 2.216 11.312 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.005 2.625 13.663 1.00 0.00 H new ATOM 0 HD3 LYS A 23 13.591 3.249 13.257 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.703 5.550 13.146 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.073 4.967 13.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.981 5.756 15.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.833 4.068 15.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.356 4.771 15.310 1.00 0.00 H new ATOM 388 N ILE A 24 10.107 4.276 8.936 1.00 0.00 N ATOM 389 CA ILE A 24 9.194 3.645 7.970 1.00 0.00 C ATOM 390 C ILE A 24 8.888 4.510 6.789 1.00 0.00 C ATOM 391 O ILE A 24 8.847 3.985 5.683 1.00 0.00 O ATOM 392 CB ILE A 24 7.911 2.991 8.536 1.00 0.00 C ATOM 393 CG1 ILE A 24 8.206 1.467 8.523 1.00 0.00 C ATOM 394 CG2 ILE A 24 6.592 3.312 7.750 1.00 0.00 C ATOM 395 CD1 ILE A 24 7.155 0.572 9.177 1.00 0.00 C ATOM 0 H ILE A 24 9.624 4.617 9.767 1.00 0.00 H new ATOM 0 HA ILE A 24 9.792 2.799 7.633 1.00 0.00 H new ATOM 0 HB ILE A 24 7.709 3.393 9.529 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.329 1.151 7.487 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.159 1.298 9.023 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.752 2.807 8.227 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.418 4.388 7.755 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.688 2.965 6.721 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.469 -0.469 9.107 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.044 0.848 10.226 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.201 0.698 8.666 1.00 0.00 H new ATOM 407 N ILE A 25 8.690 5.855 6.955 1.00 0.00 N ATOM 408 CA ILE A 25 8.321 6.840 5.904 1.00 0.00 C ATOM 409 C ILE A 25 9.246 6.825 4.674 1.00 0.00 C ATOM 410 O ILE A 25 8.806 7.003 3.539 1.00 0.00 O ATOM 411 CB ILE A 25 7.956 8.243 6.429 1.00 0.00 C ATOM 412 CG1 ILE A 25 9.135 8.966 7.121 1.00 0.00 C ATOM 413 CG2 ILE A 25 6.746 8.097 7.386 1.00 0.00 C ATOM 414 CD1 ILE A 25 8.751 10.229 7.912 1.00 0.00 C ATOM 0 H ILE A 25 8.790 6.295 7.870 1.00 0.00 H new ATOM 0 HA ILE A 25 7.370 6.471 5.519 1.00 0.00 H new ATOM 0 HB ILE A 25 7.700 8.874 5.578 1.00 0.00 H new ATOM 0 HG12 ILE A 25 9.623 8.266 7.799 1.00 0.00 H new ATOM 0 HG13 ILE A 25 9.869 9.240 6.363 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.467 9.077 7.772 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.903 7.667 6.844 1.00 0.00 H new ATOM 0 HG23 ILE A 25 7.015 7.443 8.216 1.00 0.00 H new ATOM 0 HD11 ILE A 25 9.645 10.664 8.360 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.293 10.954 7.240 1.00 0.00 H new ATOM 0 HD13 ILE A 25 8.043 9.965 8.698 1.00 0.00 H new ATOM 426 N ASP A 26 10.542 6.457 4.912 1.00 0.00 N ATOM 427 CA ASP A 26 11.569 6.106 3.930 1.00 0.00 C ATOM 428 C ASP A 26 11.260 4.897 3.008 1.00 0.00 C ATOM 429 O ASP A 26 11.688 4.935 1.861 1.00 0.00 O ATOM 430 CB ASP A 26 12.939 5.849 4.620 1.00 0.00 C ATOM 431 CG ASP A 26 13.335 7.066 5.462 1.00 0.00 C ATOM 432 OD1 ASP A 26 13.522 8.162 4.868 1.00 0.00 O ATOM 433 OD2 ASP A 26 13.452 6.915 6.707 1.00 0.00 O ATOM 0 H ASP A 26 10.902 6.400 5.865 1.00 0.00 H new ATOM 0 HA ASP A 26 11.594 6.983 3.283 1.00 0.00 H new ATOM 0 HB2 ASP A 26 12.877 4.963 5.252 1.00 0.00 H new ATOM 0 HB3 ASP A 26 13.703 5.652 3.868 1.00 0.00 H new ATOM 438 N VAL A 27 10.491 3.829 3.442 1.00 0.00 N ATOM 439 CA VAL A 27 10.059 2.644 2.654 1.00 0.00 C ATOM 440 C VAL A 27 9.050 3.013 1.566 1.00 0.00 C ATOM 441 O VAL A 27 9.276 2.754 0.386 1.00 0.00 O ATOM 442 CB VAL A 27 9.601 1.371 3.426 1.00 0.00 C ATOM 443 CG1 VAL A 27 10.597 0.982 4.523 1.00 0.00 C ATOM 444 CG2 VAL A 27 8.186 1.363 4.036 1.00 0.00 C ATOM 0 H VAL A 27 10.148 3.787 4.402 1.00 0.00 H new ATOM 0 HA VAL A 27 11.002 2.330 2.208 1.00 0.00 H new ATOM 0 HB VAL A 27 9.567 0.640 2.618 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.241 0.090 5.038 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.570 0.779 4.076 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.690 1.800 5.237 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.013 0.412 4.540 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.095 2.177 4.755 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.448 1.494 3.245 1.00 0.00 H new ATOM 454 N LEU A 28 7.936 3.727 1.933 1.00 0.00 N ATOM 455 CA LEU A 28 6.890 4.270 1.053 1.00 0.00 C ATOM 456 C LEU A 28 7.406 5.392 0.124 1.00 0.00 C ATOM 457 O LEU A 28 7.269 5.245 -1.089 1.00 0.00 O ATOM 458 CB LEU A 28 5.597 4.733 1.841 1.00 0.00 C ATOM 459 CG LEU A 28 4.495 3.658 2.154 1.00 0.00 C ATOM 460 CD1 LEU A 28 5.027 2.234 2.328 1.00 0.00 C ATOM 461 CD2 LEU A 28 3.681 3.969 3.423 1.00 0.00 C ATOM 0 H LEU A 28 7.751 3.941 2.913 1.00 0.00 H new ATOM 0 HA LEU A 28 6.596 3.435 0.417 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.921 5.164 2.788 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.128 5.534 1.270 1.00 0.00 H new ATOM 0 HG LEU A 28 3.868 3.711 1.264 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.198 1.559 2.541 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.526 1.918 1.412 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.737 2.209 3.155 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.938 3.187 3.580 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.350 4.012 4.283 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.178 4.929 3.306 1.00 0.00 H new ATOM 473 N ARG A 29 8.095 6.480 0.611 1.00 0.00 N ATOM 474 CA ARG A 29 8.687 7.590 -0.212 1.00 0.00 C ATOM 475 C ARG A 29 9.654 7.199 -1.361 1.00 0.00 C ATOM 476 O ARG A 29 9.785 7.883 -2.375 1.00 0.00 O ATOM 477 CB ARG A 29 9.393 8.604 0.734 1.00 0.00 C ATOM 478 CG ARG A 29 9.844 9.942 0.108 1.00 0.00 C ATOM 479 CD ARG A 29 10.595 10.839 1.106 1.00 0.00 C ATOM 480 NE ARG A 29 11.053 12.095 0.409 1.00 0.00 N ATOM 481 CZ ARG A 29 12.200 12.184 -0.338 1.00 0.00 C ATOM 482 NH1 ARG A 29 13.036 11.115 -0.481 1.00 0.00 N ATOM 483 NH2 ARG A 29 12.507 13.365 -0.952 1.00 0.00 N ATOM 0 H ARG A 29 8.256 6.609 1.610 1.00 0.00 H new ATOM 0 HA ARG A 29 7.829 8.015 -0.733 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.717 8.826 1.560 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.269 8.117 1.162 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.487 9.740 -0.748 1.00 0.00 H new ATOM 0 HG3 ARG A 29 8.971 10.475 -0.268 1.00 0.00 H new ATOM 0 HD2 ARG A 29 9.945 11.092 1.944 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.452 10.305 1.517 1.00 0.00 H new ATOM 0 HE ARG A 29 10.474 12.930 0.498 1.00 0.00 H new ATOM 0 HH11 ARG A 29 12.813 10.229 -0.028 1.00 0.00 H new ATOM 0 HH12 ARG A 29 13.884 11.202 -1.041 1.00 0.00 H new ATOM 0 HH21 ARG A 29 11.886 14.168 -0.852 1.00 0.00 H new ATOM 0 HH22 ARG A 29 13.357 13.444 -1.510 1.00 0.00 H new ATOM 497 N SER A 30 10.350 6.058 -1.180 1.00 0.00 N ATOM 498 CA SER A 30 11.417 5.461 -2.010 1.00 0.00 C ATOM 499 C SER A 30 10.851 4.815 -3.247 1.00 0.00 C ATOM 500 O SER A 30 11.213 5.170 -4.368 1.00 0.00 O ATOM 501 CB SER A 30 12.275 4.472 -1.157 1.00 0.00 C ATOM 502 OG SER A 30 13.387 3.850 -1.807 1.00 0.00 O ATOM 0 H SER A 30 10.160 5.473 -0.367 1.00 0.00 H new ATOM 0 HA SER A 30 12.079 6.255 -2.355 1.00 0.00 H new ATOM 0 HB2 SER A 30 12.650 5.012 -0.287 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.617 3.686 -0.785 1.00 0.00 H new ATOM 0 HG SER A 30 13.846 3.258 -1.175 1.00 0.00 H new ATOM 508 N HIS A 31 9.823 3.924 -3.069 1.00 0.00 N ATOM 509 CA HIS A 31 8.989 3.405 -4.139 1.00 0.00 C ATOM 510 C HIS A 31 8.065 4.494 -4.693 1.00 0.00 C ATOM 511 O HIS A 31 7.810 4.488 -5.880 1.00 0.00 O ATOM 512 CB HIS A 31 8.349 1.998 -3.903 1.00 0.00 C ATOM 513 CG HIS A 31 7.564 1.744 -2.648 1.00 0.00 C ATOM 514 ND1 HIS A 31 6.274 2.164 -2.417 1.00 0.00 N ATOM 515 CD2 HIS A 31 7.889 0.960 -1.585 1.00 0.00 C ATOM 516 CE1 HIS A 31 5.892 1.639 -1.229 1.00 0.00 C ATOM 517 NE2 HIS A 31 6.836 0.904 -0.691 1.00 0.00 N ATOM 0 H HIS A 31 9.569 3.557 -2.152 1.00 0.00 H new ATOM 0 HA HIS A 31 9.667 3.145 -4.952 1.00 0.00 H new ATOM 0 HB2 HIS A 31 7.691 1.793 -4.747 1.00 0.00 H new ATOM 0 HB3 HIS A 31 9.153 1.263 -3.940 1.00 0.00 H new ATOM 0 HD1 HIS A 31 5.712 2.759 -3.026 1.00 0.00 H new ATOM 0 HD2 HIS A 31 8.834 0.454 -1.458 1.00 0.00 H new ATOM 0 HE1 HIS A 31 4.925 1.806 -0.778 1.00 0.00 H new ATOM 525 N ASN A 32 7.596 5.503 -3.894 1.00 0.00 N ATOM 526 CA ASN A 32 6.814 6.669 -4.374 1.00 0.00 C ATOM 527 C ASN A 32 7.523 7.645 -5.322 1.00 0.00 C ATOM 528 O ASN A 32 6.920 8.071 -6.304 1.00 0.00 O ATOM 529 CB ASN A 32 6.292 7.615 -3.241 1.00 0.00 C ATOM 530 CG ASN A 32 4.977 7.161 -2.647 1.00 0.00 C ATOM 531 OD1 ASN A 32 3.989 7.893 -2.748 1.00 0.00 O ATOM 532 ND2 ASN A 32 4.967 5.971 -2.022 1.00 0.00 N ATOM 0 H ASN A 32 7.758 5.521 -2.887 1.00 0.00 H new ATOM 0 HA ASN A 32 6.025 6.122 -4.890 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.040 7.672 -2.450 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.174 8.622 -3.642 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.107 5.626 -1.596 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.820 5.413 -1.974 1.00 0.00 H new ATOM 539 N GLU A 33 8.809 8.041 -5.065 1.00 0.00 N ATOM 540 CA GLU A 33 9.580 8.971 -5.909 1.00 0.00 C ATOM 541 C GLU A 33 9.918 8.399 -7.295 1.00 0.00 C ATOM 542 O GLU A 33 9.882 9.059 -8.326 1.00 0.00 O ATOM 543 CB GLU A 33 10.808 9.534 -5.141 1.00 0.00 C ATOM 544 CG GLU A 33 11.973 8.555 -4.941 1.00 0.00 C ATOM 545 CD GLU A 33 13.098 9.161 -4.099 1.00 0.00 C ATOM 546 OE1 GLU A 33 12.995 10.352 -3.703 1.00 0.00 O ATOM 547 OE2 GLU A 33 14.086 8.421 -3.838 1.00 0.00 O ATOM 0 H GLU A 33 9.332 7.711 -4.254 1.00 0.00 H new ATOM 0 HA GLU A 33 8.934 9.821 -6.128 1.00 0.00 H new ATOM 0 HB2 GLU A 33 11.179 10.408 -5.677 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.475 9.878 -4.162 1.00 0.00 H new ATOM 0 HG2 GLU A 33 11.606 7.650 -4.457 1.00 0.00 H new ATOM 0 HG3 GLU A 33 12.368 8.259 -5.913 1.00 0.00 H new ATOM 554 N ALA A 34 10.191 7.082 -7.304 1.00 0.00 N ATOM 555 CA ALA A 34 10.306 6.189 -8.430 1.00 0.00 C ATOM 556 C ALA A 34 8.990 5.779 -9.118 1.00 0.00 C ATOM 557 O ALA A 34 8.961 5.389 -10.285 1.00 0.00 O ATOM 558 CB ALA A 34 11.110 4.991 -7.925 1.00 0.00 C ATOM 0 H ALA A 34 10.349 6.585 -6.427 1.00 0.00 H new ATOM 0 HA ALA A 34 10.805 6.716 -9.243 1.00 0.00 H new ATOM 0 HB1 ALA A 34 11.235 4.270 -8.733 1.00 0.00 H new ATOM 0 HB2 ALA A 34 12.089 5.328 -7.584 1.00 0.00 H new ATOM 0 HB3 ALA A 34 10.580 4.520 -7.097 1.00 0.00 H new ATOM 564 N CYS A 35 7.836 5.768 -8.386 1.00 0.00 N ATOM 565 CA CYS A 35 6.502 5.301 -8.817 1.00 0.00 C ATOM 566 C CYS A 35 5.762 6.293 -9.703 1.00 0.00 C ATOM 567 O CYS A 35 5.018 5.952 -10.618 1.00 0.00 O ATOM 568 CB CYS A 35 5.608 4.642 -7.719 1.00 0.00 C ATOM 569 SG CYS A 35 4.172 3.700 -8.317 1.00 0.00 S ATOM 0 H CYS A 35 7.822 6.107 -7.424 1.00 0.00 H new ATOM 0 HA CYS A 35 6.744 4.453 -9.458 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.232 3.976 -7.123 1.00 0.00 H new ATOM 0 HB3 CYS A 35 5.250 5.426 -7.051 1.00 0.00 H new ATOM 0 HG CYS A 35 4.441 3.193 -9.483 1.00 0.00 H new ATOM 575 N GLN A 36 6.014 7.612 -9.501 1.00 0.00 N ATOM 576 CA GLN A 36 5.529 8.713 -10.360 1.00 0.00 C ATOM 577 C GLN A 36 6.033 8.662 -11.824 1.00 0.00 C ATOM 578 O GLN A 36 5.581 9.389 -12.699 1.00 0.00 O ATOM 579 CB GLN A 36 5.628 10.100 -9.669 1.00 0.00 C ATOM 580 CG GLN A 36 7.025 10.545 -9.199 1.00 0.00 C ATOM 581 CD GLN A 36 7.891 11.020 -10.366 1.00 0.00 C ATOM 582 OE1 GLN A 36 7.590 12.010 -11.037 1.00 0.00 O ATOM 583 NE2 GLN A 36 9.016 10.300 -10.586 1.00 0.00 N ATOM 0 H GLN A 36 6.574 7.943 -8.716 1.00 0.00 H new ATOM 0 HA GLN A 36 4.460 8.541 -10.481 1.00 0.00 H new ATOM 0 HB2 GLN A 36 5.247 10.852 -10.360 1.00 0.00 H new ATOM 0 HB3 GLN A 36 4.964 10.097 -8.804 1.00 0.00 H new ATOM 0 HG2 GLN A 36 6.924 11.349 -8.470 1.00 0.00 H new ATOM 0 HG3 GLN A 36 7.520 9.716 -8.693 1.00 0.00 H new ATOM 0 HE21 GLN A 36 9.224 9.488 -10.005 1.00 0.00 H new ATOM 0 HE22 GLN A 36 9.656 10.570 -11.333 1.00 0.00 H new ATOM 592 N GLU A 37 7.034 7.766 -12.040 1.00 0.00 N ATOM 593 CA GLU A 37 7.751 7.426 -13.252 1.00 0.00 C ATOM 594 C GLU A 37 7.415 5.993 -13.675 1.00 0.00 C ATOM 595 O GLU A 37 7.144 5.743 -14.845 1.00 0.00 O ATOM 596 CB GLU A 37 9.274 7.605 -12.990 1.00 0.00 C ATOM 597 CG GLU A 37 10.256 7.063 -14.047 1.00 0.00 C ATOM 598 CD GLU A 37 10.006 7.707 -15.409 1.00 0.00 C ATOM 599 OE1 GLU A 37 10.112 8.961 -15.500 1.00 0.00 O ATOM 600 OE2 GLU A 37 9.710 6.957 -16.378 1.00 0.00 O ATOM 0 H GLU A 37 7.382 7.210 -11.259 1.00 0.00 H new ATOM 0 HA GLU A 37 7.454 8.083 -14.069 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.469 8.670 -12.867 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.508 7.126 -12.039 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.281 7.259 -13.731 1.00 0.00 H new ATOM 0 HG3 GLU A 37 10.149 5.981 -14.127 1.00 0.00 H new ATOM 607 N ASN A 38 7.437 5.013 -12.738 1.00 0.00 N ATOM 608 CA ASN A 38 7.130 3.603 -12.951 1.00 0.00 C ATOM 609 C ASN A 38 5.847 3.305 -12.238 1.00 0.00 C ATOM 610 O ASN A 38 5.767 3.278 -11.012 1.00 0.00 O ATOM 611 CB ASN A 38 8.221 2.705 -12.355 1.00 0.00 C ATOM 612 CG ASN A 38 8.228 1.255 -12.856 1.00 0.00 C ATOM 613 OD1 ASN A 38 7.200 0.654 -13.164 1.00 0.00 O ATOM 614 ND2 ASN A 38 9.450 0.664 -12.880 1.00 0.00 N ATOM 0 H ASN A 38 7.684 5.210 -11.768 1.00 0.00 H new ATOM 0 HA ASN A 38 7.061 3.410 -14.022 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.192 3.150 -12.571 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.108 2.696 -11.271 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.539 -0.313 -13.161 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.279 1.197 -12.617 1.00 0.00 H new ATOM 621 N LYS A 39 4.811 3.048 -13.053 1.00 0.00 N ATOM 622 CA LYS A 39 3.383 2.850 -12.811 1.00 0.00 C ATOM 623 C LYS A 39 2.968 2.260 -11.467 1.00 0.00 C ATOM 624 O LYS A 39 2.113 2.768 -10.745 1.00 0.00 O ATOM 625 CB LYS A 39 2.792 2.105 -14.056 1.00 0.00 C ATOM 626 CG LYS A 39 3.465 0.762 -14.460 1.00 0.00 C ATOM 627 CD LYS A 39 2.865 -0.448 -13.726 1.00 0.00 C ATOM 628 CE LYS A 39 1.848 -1.222 -14.576 1.00 0.00 C ATOM 629 NZ LYS A 39 1.218 -2.318 -13.804 1.00 0.00 N ATOM 0 H LYS A 39 4.995 2.963 -14.053 1.00 0.00 H new ATOM 0 HA LYS A 39 2.937 3.839 -12.703 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.736 1.911 -13.865 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.843 2.780 -14.910 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.361 0.617 -15.535 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.533 0.817 -14.248 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.669 -1.121 -13.429 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.381 -0.107 -12.811 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.078 -0.539 -14.935 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.345 -1.633 -15.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.417 -3.228 -14.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.604 -2.329 -12.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.190 -2.168 -13.764 1.00 0.00 H new ATOM 643 N ASP A 40 3.669 1.170 -11.143 1.00 0.00 N ATOM 644 CA ASP A 40 3.883 0.517 -9.890 1.00 0.00 C ATOM 645 C ASP A 40 5.227 -0.212 -9.997 1.00 0.00 C ATOM 646 O ASP A 40 5.197 -1.403 -10.273 1.00 0.00 O ATOM 647 CB ASP A 40 2.666 -0.331 -9.383 1.00 0.00 C ATOM 648 CG ASP A 40 1.934 -1.165 -10.442 1.00 0.00 C ATOM 649 OD1 ASP A 40 2.530 -2.137 -10.969 1.00 0.00 O ATOM 650 OD2 ASP A 40 0.749 -0.837 -10.726 1.00 0.00 O ATOM 0 H ASP A 40 4.164 0.668 -11.880 1.00 0.00 H new ATOM 0 HA ASP A 40 3.947 1.244 -9.080 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.019 -1.003 -8.601 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.946 0.345 -8.921 1.00 0.00 H new ATOM 655 N LEU A 41 6.470 0.355 -9.753 1.00 0.00 N ATOM 656 CA LEU A 41 7.730 -0.447 -9.717 1.00 0.00 C ATOM 657 C LEU A 41 7.861 -1.574 -8.659 1.00 0.00 C ATOM 658 O LEU A 41 8.649 -2.511 -8.770 1.00 0.00 O ATOM 659 CB LEU A 41 9.011 0.387 -9.596 1.00 0.00 C ATOM 660 CG LEU A 41 9.318 0.996 -8.223 1.00 0.00 C ATOM 661 CD1 LEU A 41 10.824 1.235 -8.219 1.00 0.00 C ATOM 662 CD2 LEU A 41 8.441 2.214 -7.946 1.00 0.00 C ATOM 0 H LEU A 41 6.609 1.351 -9.583 1.00 0.00 H new ATOM 0 HA LEU A 41 7.628 -0.917 -10.695 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.853 -0.242 -9.883 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.957 1.198 -10.322 1.00 0.00 H new ATOM 0 HG LEU A 41 9.068 0.342 -7.388 1.00 0.00 H new ATOM 0 HD11 LEU A 41 11.121 1.671 -7.265 1.00 0.00 H new ATOM 0 HD12 LEU A 41 11.343 0.287 -8.362 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.086 1.918 -9.027 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.684 2.622 -6.965 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.620 2.972 -8.708 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.392 1.919 -7.967 1.00 0.00 H new ATOM 674 N GLN A 42 7.006 -1.417 -7.625 1.00 0.00 N ATOM 675 CA GLN A 42 6.592 -2.096 -6.426 1.00 0.00 C ATOM 676 C GLN A 42 5.255 -2.858 -6.626 1.00 0.00 C ATOM 677 O GLN A 42 4.451 -2.764 -5.695 1.00 0.00 O ATOM 678 CB GLN A 42 6.569 -1.092 -5.238 1.00 0.00 C ATOM 679 CG GLN A 42 6.734 -1.725 -3.838 1.00 0.00 C ATOM 680 CD GLN A 42 8.146 -2.280 -3.669 1.00 0.00 C ATOM 681 OE1 GLN A 42 9.095 -1.541 -3.421 1.00 0.00 O ATOM 682 NE2 GLN A 42 8.294 -3.619 -3.829 1.00 0.00 N ATOM 0 H GLN A 42 6.455 -0.559 -7.659 1.00 0.00 H new ATOM 0 HA GLN A 42 7.319 -2.870 -6.181 1.00 0.00 H new ATOM 0 HB2 GLN A 42 7.365 -0.362 -5.385 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.626 -0.546 -5.263 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.535 -0.979 -3.069 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.004 -2.523 -3.704 1.00 0.00 H new ATOM 0 HE21 GLN A 42 7.482 -4.201 -4.034 1.00 0.00 H new ATOM 0 HE22 GLN A 42 9.217 -4.044 -3.744 1.00 0.00 H new ATOM 691 N PRO A 43 4.876 -3.531 -7.794 1.00 0.00 N ATOM 692 CA PRO A 43 3.524 -3.941 -8.259 1.00 0.00 C ATOM 693 C PRO A 43 2.644 -4.661 -7.227 1.00 0.00 C ATOM 694 O PRO A 43 1.428 -4.592 -7.348 1.00 0.00 O ATOM 695 CB PRO A 43 3.788 -4.836 -9.499 1.00 0.00 C ATOM 696 CG PRO A 43 5.222 -5.322 -9.329 1.00 0.00 C ATOM 697 CD PRO A 43 5.872 -4.089 -8.714 1.00 0.00 C ATOM 0 HA PRO A 43 2.937 -3.048 -8.474 1.00 0.00 H new ATOM 0 HB2 PRO A 43 3.089 -5.672 -9.540 1.00 0.00 H new ATOM 0 HB3 PRO A 43 3.668 -4.274 -10.425 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.288 -6.193 -8.677 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.679 -5.600 -10.279 1.00 0.00 H new ATOM 0 HD2 PRO A 43 6.788 -4.352 -8.186 1.00 0.00 H new ATOM 0 HD3 PRO A 43 6.144 -3.365 -9.483 1.00 0.00 H new ATOM 705 N TYR A 44 3.262 -5.325 -6.221 1.00 0.00 N ATOM 706 CA TYR A 44 2.720 -5.982 -5.058 1.00 0.00 C ATOM 707 C TYR A 44 3.919 -6.094 -4.102 1.00 0.00 C ATOM 708 O TYR A 44 5.064 -6.110 -4.557 1.00 0.00 O ATOM 709 CB TYR A 44 2.183 -7.431 -5.336 1.00 0.00 C ATOM 710 CG TYR A 44 0.861 -7.490 -6.109 1.00 0.00 C ATOM 711 CD1 TYR A 44 -0.357 -7.334 -5.453 1.00 0.00 C ATOM 712 CD2 TYR A 44 0.806 -7.769 -7.475 1.00 0.00 C ATOM 713 CE1 TYR A 44 -1.561 -7.565 -6.093 1.00 0.00 C ATOM 714 CE2 TYR A 44 -0.403 -7.961 -8.125 1.00 0.00 C ATOM 715 CZ TYR A 44 -1.588 -7.890 -7.427 1.00 0.00 C ATOM 716 OH TYR A 44 -2.826 -8.101 -8.073 1.00 0.00 O ATOM 0 H TYR A 44 4.278 -5.409 -6.229 1.00 0.00 H new ATOM 0 HA TYR A 44 1.868 -5.417 -4.679 1.00 0.00 H new ATOM 0 HB2 TYR A 44 2.939 -7.982 -5.895 1.00 0.00 H new ATOM 0 HB3 TYR A 44 2.054 -7.944 -4.383 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.362 -7.025 -4.418 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.725 -7.837 -8.038 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.486 -7.489 -5.540 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -0.416 -8.167 -9.185 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.670 -8.322 -9.015 1.00 0.00 H new ATOM 726 N MET A 45 3.637 -6.203 -2.778 1.00 0.00 N ATOM 727 CA MET A 45 4.545 -6.398 -1.641 1.00 0.00 C ATOM 728 C MET A 45 3.737 -7.048 -0.502 1.00 0.00 C ATOM 729 O MET A 45 2.539 -6.780 -0.414 1.00 0.00 O ATOM 730 CB MET A 45 5.189 -5.082 -1.056 1.00 0.00 C ATOM 731 CG MET A 45 4.418 -3.762 -1.256 1.00 0.00 C ATOM 732 SD MET A 45 4.133 -2.841 0.274 1.00 0.00 S ATOM 733 CE MET A 45 4.407 -1.157 -0.339 1.00 0.00 C ATOM 0 H MET A 45 2.669 -6.150 -2.460 1.00 0.00 H new ATOM 0 HA MET A 45 5.367 -7.008 -2.017 1.00 0.00 H new ATOM 0 HB2 MET A 45 5.336 -5.227 0.014 1.00 0.00 H new ATOM 0 HB3 MET A 45 6.177 -4.965 -1.501 1.00 0.00 H new ATOM 0 HG2 MET A 45 4.972 -3.131 -1.951 1.00 0.00 H new ATOM 0 HG3 MET A 45 3.457 -3.981 -1.721 1.00 0.00 H new ATOM 0 HE1 MET A 45 4.729 -0.518 0.484 1.00 0.00 H new ATOM 0 HE2 MET A 45 5.177 -1.171 -1.110 1.00 0.00 H new ATOM 0 HE3 MET A 45 3.480 -0.767 -0.759 1.00 0.00 H new ATOM 743 N PRO A 46 4.262 -7.872 0.455 1.00 0.00 N ATOM 744 CA PRO A 46 3.512 -8.309 1.647 1.00 0.00 C ATOM 745 C PRO A 46 3.463 -7.154 2.681 1.00 0.00 C ATOM 746 O PRO A 46 4.111 -6.122 2.495 1.00 0.00 O ATOM 747 CB PRO A 46 4.425 -9.439 2.179 1.00 0.00 C ATOM 748 CG PRO A 46 5.849 -8.929 1.916 1.00 0.00 C ATOM 749 CD PRO A 46 5.670 -8.291 0.521 1.00 0.00 C ATOM 0 HA PRO A 46 2.482 -8.609 1.452 1.00 0.00 H new ATOM 0 HB2 PRO A 46 4.257 -9.620 3.241 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.237 -10.380 1.661 1.00 0.00 H new ATOM 0 HG2 PRO A 46 6.174 -8.205 2.664 1.00 0.00 H new ATOM 0 HG3 PRO A 46 6.583 -9.735 1.912 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.339 -7.440 0.391 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.904 -9.004 -0.269 1.00 0.00 H new ATOM 757 N ILE A 47 2.786 -7.316 3.854 1.00 0.00 N ATOM 758 CA ILE A 47 2.753 -6.342 4.965 1.00 0.00 C ATOM 759 C ILE A 47 4.172 -6.155 5.552 1.00 0.00 C ATOM 760 O ILE A 47 4.639 -5.016 5.637 1.00 0.00 O ATOM 761 CB ILE A 47 1.595 -6.516 5.971 1.00 0.00 C ATOM 762 CG1 ILE A 47 0.292 -6.944 5.230 1.00 0.00 C ATOM 763 CG2 ILE A 47 1.413 -5.195 6.763 1.00 0.00 C ATOM 764 CD1 ILE A 47 -0.989 -6.694 6.042 1.00 0.00 C ATOM 0 H ILE A 47 2.236 -8.153 4.050 1.00 0.00 H new ATOM 0 HA ILE A 47 2.471 -5.374 4.550 1.00 0.00 H new ATOM 0 HB ILE A 47 1.829 -7.310 6.680 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.226 -6.402 4.287 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.355 -8.004 4.984 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.597 -5.308 7.477 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.333 -4.962 7.298 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.181 -4.385 6.071 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.855 -7.016 5.464 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.945 -7.258 6.974 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.077 -5.631 6.265 1.00 0.00 H new ATOM 776 N PRO A 48 4.941 -7.214 5.923 1.00 0.00 N ATOM 777 CA PRO A 48 6.372 -7.241 6.164 1.00 0.00 C ATOM 778 C PRO A 48 7.387 -6.659 5.164 1.00 0.00 C ATOM 779 O PRO A 48 8.517 -6.539 5.590 1.00 0.00 O ATOM 780 CB PRO A 48 6.658 -8.298 7.254 1.00 0.00 C ATOM 781 CG PRO A 48 5.322 -9.044 7.389 1.00 0.00 C ATOM 782 CD PRO A 48 4.458 -8.567 6.200 1.00 0.00 C ATOM 0 HA PRO A 48 6.827 -6.316 6.519 1.00 0.00 H new ATOM 0 HB2 PRO A 48 7.465 -8.969 6.960 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.956 -7.834 8.194 1.00 0.00 H new ATOM 0 HG2 PRO A 48 5.471 -10.123 7.357 1.00 0.00 H new ATOM 0 HG3 PRO A 48 4.840 -8.816 8.340 1.00 0.00 H new ATOM 0 HD2 PRO A 48 4.579 -9.218 5.334 1.00 0.00 H new ATOM 0 HD3 PRO A 48 3.398 -8.567 6.453 1.00 0.00 H new ATOM 790 N HIS A 49 7.185 -6.318 3.843 1.00 0.00 N ATOM 791 CA HIS A 49 8.244 -5.609 3.024 1.00 0.00 C ATOM 792 C HIS A 49 8.651 -4.272 3.661 1.00 0.00 C ATOM 793 O HIS A 49 9.805 -3.944 3.914 1.00 0.00 O ATOM 794 CB HIS A 49 7.737 -5.271 1.560 1.00 0.00 C ATOM 795 CG HIS A 49 8.335 -4.069 0.789 1.00 0.00 C ATOM 796 ND1 HIS A 49 8.040 -2.746 1.081 1.00 0.00 N ATOM 797 CD2 HIS A 49 9.391 -4.012 -0.071 1.00 0.00 C ATOM 798 CE1 HIS A 49 8.951 -1.973 0.444 1.00 0.00 C ATOM 799 NE2 HIS A 49 9.778 -2.698 -0.284 1.00 0.00 N ATOM 0 H HIS A 49 6.324 -6.515 3.333 1.00 0.00 H new ATOM 0 HA HIS A 49 9.088 -6.298 2.988 1.00 0.00 H new ATOM 0 HB2 HIS A 49 7.897 -6.159 0.949 1.00 0.00 H new ATOM 0 HB3 HIS A 49 6.660 -5.114 1.619 1.00 0.00 H new ATOM 0 HD2 HIS A 49 9.861 -4.872 -0.524 1.00 0.00 H new ATOM 0 HE1 HIS A 49 8.995 -0.897 0.522 1.00 0.00 H new ATOM 0 HE2 HIS A 49 10.538 -2.364 -0.876 1.00 0.00 H new ATOM 807 N VAL A 50 7.570 -3.552 4.002 1.00 0.00 N ATOM 808 CA VAL A 50 7.448 -2.340 4.777 1.00 0.00 C ATOM 809 C VAL A 50 7.601 -2.653 6.290 1.00 0.00 C ATOM 810 O VAL A 50 8.426 -2.047 6.970 1.00 0.00 O ATOM 811 CB VAL A 50 6.202 -1.522 4.339 1.00 0.00 C ATOM 812 CG1 VAL A 50 5.243 -2.265 3.388 1.00 0.00 C ATOM 813 CG2 VAL A 50 5.438 -0.879 5.506 1.00 0.00 C ATOM 0 H VAL A 50 6.649 -3.861 3.692 1.00 0.00 H new ATOM 0 HA VAL A 50 8.271 -1.656 4.570 1.00 0.00 H new ATOM 0 HB VAL A 50 6.638 -0.711 3.755 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.404 -1.616 3.137 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.774 -2.540 2.477 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.871 -3.166 3.877 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.582 -0.326 5.120 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.090 -1.657 6.186 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.099 -0.198 6.042 1.00 0.00 H new ATOM 823 N ARG A 51 6.841 -3.638 6.863 1.00 0.00 N ATOM 824 CA ARG A 51 6.826 -4.058 8.268 1.00 0.00 C ATOM 825 C ARG A 51 8.041 -4.871 8.768 1.00 0.00 C ATOM 826 O ARG A 51 8.294 -4.899 9.954 1.00 0.00 O ATOM 827 CB ARG A 51 5.436 -4.683 8.567 1.00 0.00 C ATOM 828 CG ARG A 51 5.024 -5.120 9.973 1.00 0.00 C ATOM 829 CD ARG A 51 3.600 -5.712 9.900 1.00 0.00 C ATOM 830 NE ARG A 51 3.048 -5.939 11.275 1.00 0.00 N ATOM 831 CZ ARG A 51 1.816 -6.487 11.509 1.00 0.00 C ATOM 832 NH1 ARG A 51 0.972 -6.781 10.479 1.00 0.00 N ATOM 833 NH2 ARG A 51 1.435 -6.747 12.795 1.00 0.00 N ATOM 0 H ARG A 51 6.186 -4.184 6.303 1.00 0.00 H new ATOM 0 HA ARG A 51 6.962 -3.167 8.881 1.00 0.00 H new ATOM 0 HB2 ARG A 51 4.690 -3.962 8.232 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.343 -5.560 7.926 1.00 0.00 H new ATOM 0 HG2 ARG A 51 5.724 -5.861 10.360 1.00 0.00 H new ATOM 0 HG3 ARG A 51 5.048 -4.271 10.656 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.948 -5.035 9.348 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.620 -6.653 9.351 1.00 0.00 H new ATOM 0 HE ARG A 51 3.619 -5.672 12.077 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.256 -6.593 9.518 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.057 -7.189 10.670 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.066 -6.533 13.567 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.519 -7.155 12.983 1.00 0.00 H new ATOM 847 N ASP A 52 8.881 -5.543 7.937 1.00 0.00 N ATOM 848 CA ASP A 52 10.219 -6.056 8.350 1.00 0.00 C ATOM 849 C ASP A 52 11.329 -4.986 8.417 1.00 0.00 C ATOM 850 O ASP A 52 12.422 -5.266 8.886 1.00 0.00 O ATOM 851 CB ASP A 52 10.813 -7.234 7.505 1.00 0.00 C ATOM 852 CG ASP A 52 10.019 -8.532 7.669 1.00 0.00 C ATOM 853 OD1 ASP A 52 9.606 -8.845 8.817 1.00 0.00 O ATOM 854 OD2 ASP A 52 9.850 -9.245 6.642 1.00 0.00 O ATOM 0 H ASP A 52 8.652 -5.745 6.964 1.00 0.00 H new ATOM 0 HA ASP A 52 9.960 -6.423 9.343 1.00 0.00 H new ATOM 0 HB2 ASP A 52 10.827 -6.951 6.452 1.00 0.00 H new ATOM 0 HB3 ASP A 52 11.848 -7.405 7.803 1.00 0.00 H new ATOM 859 N SER A 53 11.122 -3.770 7.842 1.00 0.00 N ATOM 860 CA SER A 53 12.152 -2.776 7.527 1.00 0.00 C ATOM 861 C SER A 53 12.584 -1.828 8.621 1.00 0.00 C ATOM 862 O SER A 53 13.591 -1.135 8.477 1.00 0.00 O ATOM 863 CB SER A 53 11.677 -1.882 6.375 1.00 0.00 C ATOM 864 OG SER A 53 12.737 -1.174 5.718 1.00 0.00 O ATOM 0 H SER A 53 10.188 -3.455 7.579 1.00 0.00 H new ATOM 0 HA SER A 53 13.013 -3.407 7.304 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.154 -2.497 5.642 1.00 0.00 H new ATOM 0 HB3 SER A 53 10.955 -1.162 6.760 1.00 0.00 H new ATOM 0 HG SER A 53 13.478 -1.039 6.345 1.00 0.00 H new ATOM 870 N LEU A 54 11.758 -1.726 9.691 1.00 0.00 N ATOM 871 CA LEU A 54 11.786 -0.773 10.784 1.00 0.00 C ATOM 872 C LEU A 54 13.005 -0.920 11.704 1.00 0.00 C ATOM 873 O LEU A 54 13.355 0.005 12.434 1.00 0.00 O ATOM 874 CB LEU A 54 10.444 -0.852 11.626 1.00 0.00 C ATOM 875 CG LEU A 54 9.708 -2.196 11.917 1.00 0.00 C ATOM 876 CD1 LEU A 54 8.367 -2.296 11.197 1.00 0.00 C ATOM 877 CD2 LEU A 54 10.452 -3.520 11.852 1.00 0.00 C ATOM 0 H LEU A 54 10.986 -2.383 9.804 1.00 0.00 H new ATOM 0 HA LEU A 54 11.873 0.211 10.322 1.00 0.00 H new ATOM 0 HB2 LEU A 54 10.658 -0.399 12.594 1.00 0.00 H new ATOM 0 HB3 LEU A 54 9.724 -0.206 11.124 1.00 0.00 H new ATOM 0 HG LEU A 54 9.582 -2.081 12.994 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.897 -3.250 11.434 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.719 -1.482 11.521 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.526 -2.227 10.121 1.00 0.00 H new ATOM 0 HD21 LEU A 54 9.766 -4.334 12.086 1.00 0.00 H new ATOM 0 HD22 LEU A 54 10.856 -3.662 10.849 1.00 0.00 H new ATOM 0 HD23 LEU A 54 11.268 -3.514 12.574 1.00 0.00 H new ATOM 889 N ILE A 55 13.698 -2.081 11.615 1.00 0.00 N ATOM 890 CA ILE A 55 14.961 -2.405 12.269 1.00 0.00 C ATOM 891 C ILE A 55 15.619 -3.397 11.297 1.00 0.00 C ATOM 892 O ILE A 55 14.914 -4.075 10.555 1.00 0.00 O ATOM 893 CB ILE A 55 14.965 -3.033 13.701 1.00 0.00 C ATOM 894 CG1 ILE A 55 13.675 -3.141 14.558 1.00 0.00 C ATOM 895 CG2 ILE A 55 16.094 -2.443 14.574 1.00 0.00 C ATOM 896 CD1 ILE A 55 12.851 -1.911 14.791 1.00 0.00 C ATOM 0 H ILE A 55 13.357 -2.856 11.046 1.00 0.00 H new ATOM 0 HA ILE A 55 15.462 -1.456 12.459 1.00 0.00 H new ATOM 0 HB ILE A 55 15.114 -4.072 13.408 1.00 0.00 H new ATOM 0 HG12 ILE A 55 13.030 -3.885 14.090 1.00 0.00 H new ATOM 0 HG13 ILE A 55 13.960 -3.535 15.533 1.00 0.00 H new ATOM 0 HG21 ILE A 55 16.067 -2.902 15.562 1.00 0.00 H new ATOM 0 HG22 ILE A 55 17.058 -2.644 14.107 1.00 0.00 H new ATOM 0 HG23 ILE A 55 15.955 -1.366 14.670 1.00 0.00 H new ATOM 0 HD11 ILE A 55 11.988 -2.163 15.408 1.00 0.00 H new ATOM 0 HD12 ILE A 55 13.455 -1.160 15.301 1.00 0.00 H new ATOM 0 HD13 ILE A 55 12.510 -1.515 13.834 1.00 0.00 H new ATOM 908 N GLN A 56 16.973 -3.511 11.346 1.00 0.00 N ATOM 909 CA GLN A 56 17.824 -4.426 10.590 1.00 0.00 C ATOM 910 C GLN A 56 18.146 -5.820 11.218 1.00 0.00 C ATOM 911 O GLN A 56 18.056 -6.798 10.478 1.00 0.00 O ATOM 912 CB GLN A 56 19.164 -3.710 10.205 1.00 0.00 C ATOM 913 CG GLN A 56 18.985 -2.317 9.542 1.00 0.00 C ATOM 914 CD GLN A 56 20.343 -1.715 9.152 1.00 0.00 C ATOM 915 OE1 GLN A 56 21.147 -2.355 8.473 1.00 0.00 O ATOM 916 NE2 GLN A 56 20.627 -0.452 9.571 1.00 0.00 N ATOM 0 H GLN A 56 17.524 -2.916 11.965 1.00 0.00 H new ATOM 0 HA GLN A 56 17.209 -4.672 9.724 1.00 0.00 H new ATOM 0 HB2 GLN A 56 19.770 -3.595 11.103 1.00 0.00 H new ATOM 0 HB3 GLN A 56 19.722 -4.353 9.524 1.00 0.00 H new ATOM 0 HG2 GLN A 56 18.356 -2.410 8.656 1.00 0.00 H new ATOM 0 HG3 GLN A 56 18.470 -1.646 10.230 1.00 0.00 H new ATOM 0 HE21 GLN A 56 19.949 0.063 10.133 1.00 0.00 H new ATOM 0 HE22 GLN A 56 21.518 -0.021 9.323 1.00 0.00 H new ATOM 925 N PRO A 57 18.537 -6.011 12.514 1.00 0.00 N ATOM 926 CA PRO A 57 19.113 -7.264 13.042 1.00 0.00 C ATOM 927 C PRO A 57 18.059 -8.234 13.604 1.00 0.00 C ATOM 928 O PRO A 57 16.972 -8.368 13.069 1.00 0.00 O ATOM 929 CB PRO A 57 19.962 -6.685 14.200 1.00 0.00 C ATOM 930 CG PRO A 57 19.011 -5.646 14.801 1.00 0.00 C ATOM 931 CD PRO A 57 18.583 -4.941 13.514 1.00 0.00 C ATOM 0 HA PRO A 57 19.637 -7.853 12.290 1.00 0.00 H new ATOM 0 HB2 PRO A 57 20.241 -7.450 14.924 1.00 0.00 H new ATOM 0 HB3 PRO A 57 20.887 -6.233 13.842 1.00 0.00 H new ATOM 0 HG2 PRO A 57 18.173 -6.099 15.332 1.00 0.00 H new ATOM 0 HG3 PRO A 57 19.508 -4.976 15.503 1.00 0.00 H new ATOM 0 HD2 PRO A 57 17.611 -4.461 13.628 1.00 0.00 H new ATOM 0 HD3 PRO A 57 19.292 -4.163 13.232 1.00 0.00 H new ATOM 939 N HIS A 58 18.368 -8.863 14.774 1.00 0.00 N ATOM 940 CA HIS A 58 17.577 -9.763 15.617 1.00 0.00 C ATOM 941 C HIS A 58 16.296 -9.142 16.196 1.00 0.00 C ATOM 942 O HIS A 58 15.321 -9.837 16.456 1.00 0.00 O ATOM 943 CB HIS A 58 18.493 -10.301 16.762 1.00 0.00 C ATOM 944 CG HIS A 58 17.812 -11.078 17.858 1.00 0.00 C ATOM 945 ND1 HIS A 58 17.553 -12.432 17.873 1.00 0.00 N ATOM 946 CD2 HIS A 58 17.208 -10.572 18.965 1.00 0.00 C ATOM 947 CE1 HIS A 58 16.813 -12.675 18.986 1.00 0.00 C ATOM 948 NE2 HIS A 58 16.577 -11.573 19.671 1.00 0.00 N ATOM 0 H HIS A 58 19.292 -8.724 15.184 1.00 0.00 H new ATOM 0 HA HIS A 58 17.226 -10.571 14.976 1.00 0.00 H new ATOM 0 HB2 HIS A 58 19.257 -10.938 16.317 1.00 0.00 H new ATOM 0 HB3 HIS A 58 19.008 -9.453 17.214 1.00 0.00 H new ATOM 0 HD2 HIS A 58 17.221 -9.531 19.251 1.00 0.00 H new ATOM 0 HE1 HIS A 58 16.460 -13.654 19.275 1.00 0.00 H new ATOM 0 HE2 HIS A 58 16.043 -11.482 20.535 1.00 0.00 H new ATOM 956 N ASP A 59 16.268 -7.800 16.400 1.00 0.00 N ATOM 957 CA ASP A 59 15.174 -7.011 16.926 1.00 0.00 C ATOM 958 C ASP A 59 14.247 -6.526 15.834 1.00 0.00 C ATOM 959 O ASP A 59 13.298 -5.825 16.145 1.00 0.00 O ATOM 960 CB ASP A 59 15.708 -5.777 17.709 1.00 0.00 C ATOM 961 CG ASP A 59 16.550 -6.252 18.896 1.00 0.00 C ATOM 962 OD1 ASP A 59 15.972 -6.904 19.807 1.00 0.00 O ATOM 963 OD2 ASP A 59 17.779 -5.972 18.904 1.00 0.00 O ATOM 0 H ASP A 59 17.077 -7.220 16.179 1.00 0.00 H new ATOM 0 HA ASP A 59 14.615 -7.665 17.595 1.00 0.00 H new ATOM 0 HB2 ASP A 59 16.308 -5.148 17.052 1.00 0.00 H new ATOM 0 HB3 ASP A 59 14.875 -5.168 18.061 1.00 0.00 H new ATOM 968 N ARG A 60 14.440 -6.902 14.526 1.00 0.00 N ATOM 969 CA ARG A 60 13.629 -6.562 13.340 1.00 0.00 C ATOM 970 C ARG A 60 12.137 -6.693 13.497 1.00 0.00 C ATOM 971 O ARG A 60 11.439 -5.759 13.165 1.00 0.00 O ATOM 972 CB ARG A 60 14.105 -7.224 12.006 1.00 0.00 C ATOM 973 CG ARG A 60 13.696 -8.698 11.756 1.00 0.00 C ATOM 974 CD ARG A 60 14.307 -9.710 12.741 1.00 0.00 C ATOM 975 NE ARG A 60 13.467 -10.962 12.764 1.00 0.00 N ATOM 976 CZ ARG A 60 12.745 -11.399 13.843 1.00 0.00 C ATOM 977 NH1 ARG A 60 12.739 -10.712 15.021 1.00 0.00 N ATOM 978 NH2 ARG A 60 12.008 -12.544 13.732 1.00 0.00 N ATOM 0 H ARG A 60 15.230 -7.495 14.272 1.00 0.00 H new ATOM 0 HA ARG A 60 13.827 -5.493 13.262 1.00 0.00 H new ATOM 0 HB2 ARG A 60 13.726 -6.624 11.178 1.00 0.00 H new ATOM 0 HB3 ARG A 60 15.193 -7.166 11.970 1.00 0.00 H new ATOM 0 HG2 ARG A 60 12.610 -8.773 11.806 1.00 0.00 H new ATOM 0 HG3 ARG A 60 13.988 -8.975 10.743 1.00 0.00 H new ATOM 0 HD2 ARG A 60 15.328 -9.950 12.445 1.00 0.00 H new ATOM 0 HD3 ARG A 60 14.358 -9.276 13.739 1.00 0.00 H new ATOM 0 HE ARG A 60 13.434 -11.525 11.914 1.00 0.00 H new ATOM 0 HH11 ARG A 60 13.280 -9.852 15.113 1.00 0.00 H new ATOM 0 HH12 ARG A 60 12.193 -11.058 15.810 1.00 0.00 H new ATOM 0 HH21 ARG A 60 12.000 -13.062 12.853 1.00 0.00 H new ATOM 0 HH22 ARG A 60 11.466 -12.881 14.528 1.00 0.00 H new ATOM 992 N LYS A 61 11.558 -7.776 14.075 1.00 0.00 N ATOM 993 CA LYS A 61 10.139 -7.836 14.439 1.00 0.00 C ATOM 994 C LYS A 61 9.664 -6.982 15.609 1.00 0.00 C ATOM 995 O LYS A 61 8.496 -6.618 15.688 1.00 0.00 O ATOM 996 CB LYS A 61 9.329 -9.088 14.008 1.00 0.00 C ATOM 997 CG LYS A 61 8.053 -9.480 14.804 1.00 0.00 C ATOM 998 CD LYS A 61 8.295 -10.029 16.221 1.00 0.00 C ATOM 999 CE LYS A 61 9.035 -11.371 16.250 1.00 0.00 C ATOM 1000 NZ LYS A 61 9.186 -11.861 17.640 1.00 0.00 N ATOM 0 H LYS A 61 12.072 -8.628 14.298 1.00 0.00 H new ATOM 0 HA LYS A 61 9.714 -7.186 13.675 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.035 -8.946 12.968 1.00 0.00 H new ATOM 0 HB3 LYS A 61 10.007 -9.941 14.034 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.410 -8.603 14.879 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.506 -10.229 14.232 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.868 -9.297 16.790 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.335 -10.144 16.724 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.488 -12.105 15.659 1.00 0.00 H new ATOM 0 HE3 LYS A 61 10.017 -11.259 15.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.690 -12.771 17.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.728 -11.168 18.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.246 -11.988 18.067 1.00 0.00 H new ATOM 1014 N LYS A 62 10.534 -6.615 16.581 1.00 0.00 N ATOM 1015 CA LYS A 62 10.213 -5.799 17.756 1.00 0.00 C ATOM 1016 C LYS A 62 9.526 -4.428 17.548 1.00 0.00 C ATOM 1017 O LYS A 62 8.872 -3.927 18.459 1.00 0.00 O ATOM 1018 CB LYS A 62 11.495 -5.698 18.645 1.00 0.00 C ATOM 1019 CG LYS A 62 11.290 -5.062 20.028 1.00 0.00 C ATOM 1020 CD LYS A 62 12.600 -4.800 20.794 1.00 0.00 C ATOM 1021 CE LYS A 62 13.413 -3.610 20.252 1.00 0.00 C ATOM 1022 NZ LYS A 62 12.675 -2.331 20.396 1.00 0.00 N ATOM 0 H LYS A 62 11.515 -6.895 16.558 1.00 0.00 H new ATOM 0 HA LYS A 62 9.405 -6.334 18.255 1.00 0.00 H new ATOM 0 HB2 LYS A 62 11.902 -6.700 18.781 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.246 -5.120 18.106 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.756 -4.119 19.908 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.655 -5.715 20.627 1.00 0.00 H new ATOM 0 HD2 LYS A 62 12.366 -4.620 21.843 1.00 0.00 H new ATOM 0 HD3 LYS A 62 13.218 -5.697 20.755 1.00 0.00 H new ATOM 0 HE2 LYS A 62 14.362 -3.545 20.784 1.00 0.00 H new ATOM 0 HE3 LYS A 62 13.648 -3.778 19.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 13.324 -1.535 20.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.901 -2.297 19.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 12.282 -2.263 21.357 1.00 0.00 H new ATOM 1036 N MET A 63 9.591 -3.822 16.327 1.00 0.00 N ATOM 1037 CA MET A 63 8.793 -2.644 16.000 1.00 0.00 C ATOM 1038 C MET A 63 7.776 -2.924 14.906 1.00 0.00 C ATOM 1039 O MET A 63 7.008 -2.038 14.544 1.00 0.00 O ATOM 1040 CB MET A 63 9.510 -1.271 16.040 1.00 0.00 C ATOM 1041 CG MET A 63 10.116 -0.947 17.430 1.00 0.00 C ATOM 1042 SD MET A 63 10.621 0.796 17.635 1.00 0.00 S ATOM 1043 CE MET A 63 11.619 0.953 16.129 1.00 0.00 C ATOM 0 H MET A 63 10.192 -4.143 15.568 1.00 0.00 H new ATOM 0 HA MET A 63 8.164 -2.450 16.869 1.00 0.00 H new ATOM 0 HB2 MET A 63 10.303 -1.259 15.292 1.00 0.00 H new ATOM 0 HB3 MET A 63 8.802 -0.489 15.767 1.00 0.00 H new ATOM 0 HG2 MET A 63 9.385 -1.195 18.200 1.00 0.00 H new ATOM 0 HG3 MET A 63 10.983 -1.587 17.595 1.00 0.00 H new ATOM 0 HE1 MET A 63 11.937 1.989 16.010 1.00 0.00 H new ATOM 0 HE2 MET A 63 12.496 0.310 16.205 1.00 0.00 H new ATOM 0 HE3 MET A 63 11.024 0.654 15.266 1.00 0.00 H new ATOM 1053 N LYS A 64 7.661 -4.214 14.413 1.00 0.00 N ATOM 1054 CA LYS A 64 6.634 -4.703 13.474 1.00 0.00 C ATOM 1055 C LYS A 64 5.286 -4.797 14.182 1.00 0.00 C ATOM 1056 O LYS A 64 4.237 -4.459 13.636 1.00 0.00 O ATOM 1057 CB LYS A 64 7.075 -6.061 12.822 1.00 0.00 C ATOM 1058 CG LYS A 64 6.034 -7.191 12.720 1.00 0.00 C ATOM 1059 CD LYS A 64 6.361 -8.299 11.702 1.00 0.00 C ATOM 1060 CE LYS A 64 5.197 -9.276 11.474 1.00 0.00 C ATOM 1061 NZ LYS A 64 4.834 -9.982 12.725 1.00 0.00 N ATOM 0 H LYS A 64 8.316 -4.948 14.683 1.00 0.00 H new ATOM 0 HA LYS A 64 6.522 -3.992 12.655 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.433 -5.846 11.815 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.925 -6.442 13.388 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.920 -7.647 13.704 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.071 -6.753 12.458 1.00 0.00 H new ATOM 0 HD2 LYS A 64 6.633 -7.841 10.751 1.00 0.00 H new ATOM 0 HD3 LYS A 64 7.232 -8.856 12.048 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.331 -8.732 11.097 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.474 -10.003 10.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.080 -10.671 12.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.668 -10.479 13.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.499 -9.293 13.428 1.00 0.00 H new ATOM 1075 N LYS A 65 5.325 -5.212 15.477 1.00 0.00 N ATOM 1076 CA LYS A 65 4.152 -5.290 16.364 1.00 0.00 C ATOM 1077 C LYS A 65 3.446 -3.933 16.694 1.00 0.00 C ATOM 1078 O LYS A 65 2.220 -3.823 16.647 1.00 0.00 O ATOM 1079 CB LYS A 65 4.467 -6.105 17.646 1.00 0.00 C ATOM 1080 CG LYS A 65 4.925 -7.554 17.367 1.00 0.00 C ATOM 1081 CD LYS A 65 3.886 -8.399 16.602 1.00 0.00 C ATOM 1082 CE LYS A 65 4.305 -9.857 16.358 1.00 0.00 C ATOM 1083 NZ LYS A 65 4.517 -10.587 17.630 1.00 0.00 N ATOM 0 H LYS A 65 6.190 -5.504 15.932 1.00 0.00 H new ATOM 0 HA LYS A 65 3.408 -5.826 15.774 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.245 -5.590 18.210 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.579 -6.130 18.277 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.852 -7.528 16.794 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.150 -8.043 18.315 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.949 -8.392 17.159 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.688 -7.925 15.640 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.538 -10.363 15.772 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.222 -9.878 15.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.682 -11.594 17.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.343 -10.192 18.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.675 -10.488 18.232 1.00 0.00 H new ATOM 1097 N VAL A 66 4.240 -2.835 16.953 1.00 0.00 N ATOM 1098 CA VAL A 66 3.793 -1.433 17.130 1.00 0.00 C ATOM 1099 C VAL A 66 3.376 -0.820 15.801 1.00 0.00 C ATOM 1100 O VAL A 66 2.461 0.002 15.766 1.00 0.00 O ATOM 1101 CB VAL A 66 4.602 -0.488 18.048 1.00 0.00 C ATOM 1102 CG1 VAL A 66 6.112 -0.554 17.767 1.00 0.00 C ATOM 1103 CG2 VAL A 66 4.074 0.984 18.030 1.00 0.00 C ATOM 0 H VAL A 66 5.252 -2.925 17.045 1.00 0.00 H new ATOM 0 HA VAL A 66 2.915 -1.542 17.766 1.00 0.00 H new ATOM 0 HB VAL A 66 4.446 -0.857 19.062 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.637 0.127 18.437 1.00 0.00 H new ATOM 0 HG12 VAL A 66 6.469 -1.571 17.931 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.303 -0.265 16.733 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.683 1.597 18.694 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.132 1.379 17.016 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.038 1.003 18.368 1.00 0.00 H new ATOM 1113 N TRP A 67 3.985 -1.230 14.643 1.00 0.00 N ATOM 1114 CA TRP A 67 3.590 -0.808 13.288 1.00 0.00 C ATOM 1115 C TRP A 67 2.086 -0.983 12.954 1.00 0.00 C ATOM 1116 O TRP A 67 1.502 -0.111 12.334 1.00 0.00 O ATOM 1117 CB TRP A 67 4.503 -1.419 12.182 1.00 0.00 C ATOM 1118 CG TRP A 67 4.167 -1.080 10.729 1.00 0.00 C ATOM 1119 CD1 TRP A 67 3.692 -1.970 9.821 1.00 0.00 C ATOM 1120 CD2 TRP A 67 3.979 0.223 10.133 1.00 0.00 C ATOM 1121 NE1 TRP A 67 3.403 -1.347 8.644 1.00 0.00 N ATOM 1122 CE2 TRP A 67 3.542 0.004 8.824 1.00 0.00 C ATOM 1123 CE3 TRP A 67 4.094 1.491 10.639 1.00 0.00 C ATOM 1124 CZ2 TRP A 67 3.221 1.037 8.000 1.00 0.00 C ATOM 1125 CZ3 TRP A 67 3.619 2.519 9.848 1.00 0.00 C ATOM 1126 CH2 TRP A 67 3.193 2.289 8.555 1.00 0.00 C ATOM 0 H TRP A 67 4.776 -1.874 14.642 1.00 0.00 H new ATOM 0 HA TRP A 67 3.748 0.270 13.295 1.00 0.00 H new ATOM 0 HB2 TRP A 67 5.527 -1.099 12.375 1.00 0.00 H new ATOM 0 HB3 TRP A 67 4.483 -2.504 12.289 1.00 0.00 H new ATOM 0 HD1 TRP A 67 3.561 -3.026 10.006 1.00 0.00 H new ATOM 0 HE1 TRP A 67 3.130 -1.808 7.776 1.00 0.00 H new ATOM 0 HE3 TRP A 67 4.534 1.677 11.608 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 2.998 0.878 6.955 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 3.580 3.521 10.248 1.00 0.00 H new ATOM 0 HH2 TRP A 67 2.828 3.118 7.966 1.00 0.00 H new ATOM 1137 N ASP A 68 1.404 -2.051 13.464 1.00 0.00 N ATOM 1138 CA ASP A 68 -0.051 -2.297 13.392 1.00 0.00 C ATOM 1139 C ASP A 68 -0.921 -1.174 14.014 1.00 0.00 C ATOM 1140 O ASP A 68 -1.941 -0.769 13.467 1.00 0.00 O ATOM 1141 CB ASP A 68 -0.363 -3.672 14.059 1.00 0.00 C ATOM 1142 CG ASP A 68 -1.730 -4.247 13.665 1.00 0.00 C ATOM 1143 OD1 ASP A 68 -1.939 -4.490 12.446 1.00 0.00 O ATOM 1144 OD2 ASP A 68 -2.574 -4.450 14.577 1.00 0.00 O ATOM 0 H ASP A 68 1.890 -2.798 13.961 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.320 -2.308 12.336 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.415 -4.385 13.785 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.324 -3.559 15.142 1.00 0.00 H new ATOM 1149 N ARG A 69 -0.455 -0.608 15.162 1.00 0.00 N ATOM 1150 CA ARG A 69 -0.963 0.586 15.850 1.00 0.00 C ATOM 1151 C ARG A 69 -0.539 1.898 15.156 1.00 0.00 C ATOM 1152 O ARG A 69 -1.349 2.800 14.948 1.00 0.00 O ATOM 1153 CB ARG A 69 -0.496 0.505 17.336 1.00 0.00 C ATOM 1154 CG ARG A 69 -0.988 1.565 18.348 1.00 0.00 C ATOM 1155 CD ARG A 69 -0.143 2.855 18.407 1.00 0.00 C ATOM 1156 NE ARG A 69 -0.587 3.697 19.576 1.00 0.00 N ATOM 1157 CZ ARG A 69 0.019 3.691 20.805 1.00 0.00 C ATOM 1158 NH1 ARG A 69 1.095 2.892 21.059 1.00 0.00 N ATOM 1159 NH2 ARG A 69 -0.464 4.502 21.793 1.00 0.00 N ATOM 0 H ARG A 69 0.341 -1.012 15.656 1.00 0.00 H new ATOM 0 HA ARG A 69 -2.052 0.604 15.809 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.790 -0.472 17.718 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.594 0.533 17.338 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -2.015 1.833 18.100 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -1.007 1.116 19.341 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.913 2.606 18.506 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -0.252 3.416 17.479 1.00 0.00 H new ATOM 0 HE ARG A 69 -1.391 4.311 19.444 1.00 0.00 H new ATOM 0 HH11 ARG A 69 1.463 2.284 20.327 1.00 0.00 H new ATOM 0 HH12 ARG A 69 1.532 2.902 21.981 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -1.268 5.103 21.612 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -0.021 4.506 22.712 1.00 0.00 H new ATOM 1173 N ALA A 70 0.754 2.030 14.732 1.00 0.00 N ATOM 1174 CA ALA A 70 1.348 3.167 14.030 1.00 0.00 C ATOM 1175 C ALA A 70 0.795 3.423 12.604 1.00 0.00 C ATOM 1176 O ALA A 70 0.623 4.570 12.175 1.00 0.00 O ATOM 1177 CB ALA A 70 2.870 3.035 14.070 1.00 0.00 C ATOM 0 H ALA A 70 1.436 1.288 14.891 1.00 0.00 H new ATOM 0 HA ALA A 70 1.047 4.069 14.563 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.322 3.879 13.549 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.207 3.026 15.106 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.168 2.106 13.583 1.00 0.00 H new ATOM 1183 N VAL A 71 0.402 2.305 11.899 1.00 0.00 N ATOM 1184 CA VAL A 71 -0.366 2.196 10.632 1.00 0.00 C ATOM 1185 C VAL A 71 -1.657 2.988 10.669 1.00 0.00 C ATOM 1186 O VAL A 71 -1.971 3.686 9.712 1.00 0.00 O ATOM 1187 CB VAL A 71 -0.730 0.736 10.252 1.00 0.00 C ATOM 1188 CG1 VAL A 71 -1.933 0.526 9.294 1.00 0.00 C ATOM 1189 CG2 VAL A 71 0.461 0.118 9.525 1.00 0.00 C ATOM 0 H VAL A 71 0.645 1.378 12.248 1.00 0.00 H new ATOM 0 HA VAL A 71 0.310 2.605 9.881 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.000 0.285 11.207 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.074 -0.540 9.115 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.834 0.940 9.746 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.737 1.030 8.348 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.225 -0.910 9.249 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.678 0.695 8.626 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.332 0.127 10.180 1.00 0.00 H new ATOM 1199 N ASP A 72 -2.418 2.935 11.804 1.00 0.00 N ATOM 1200 CA ASP A 72 -3.671 3.657 12.064 1.00 0.00 C ATOM 1201 C ASP A 72 -3.535 5.197 11.982 1.00 0.00 C ATOM 1202 O ASP A 72 -4.271 5.831 11.227 1.00 0.00 O ATOM 1203 CB ASP A 72 -4.331 3.114 13.372 1.00 0.00 C ATOM 1204 CG ASP A 72 -5.793 3.549 13.532 1.00 0.00 C ATOM 1205 OD1 ASP A 72 -6.607 3.219 12.626 1.00 0.00 O ATOM 1206 OD2 ASP A 72 -6.115 4.207 14.553 1.00 0.00 O ATOM 0 H ASP A 72 -2.145 2.352 12.595 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.365 3.448 11.250 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.280 2.025 13.373 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.758 3.461 14.232 1.00 0.00 H new ATOM 1211 N PHE A 73 -2.511 5.826 12.653 1.00 0.00 N ATOM 1212 CA PHE A 73 -2.178 7.238 12.382 1.00 0.00 C ATOM 1213 C PHE A 73 -1.470 7.491 11.009 1.00 0.00 C ATOM 1214 O PHE A 73 -1.879 8.409 10.298 1.00 0.00 O ATOM 1215 CB PHE A 73 -1.543 8.096 13.501 1.00 0.00 C ATOM 1216 CG PHE A 73 -1.915 9.567 13.238 1.00 0.00 C ATOM 1217 CD1 PHE A 73 -3.213 9.987 13.491 1.00 0.00 C ATOM 1218 CD2 PHE A 73 -1.095 10.406 12.493 1.00 0.00 C ATOM 1219 CE1 PHE A 73 -3.671 11.210 13.049 1.00 0.00 C ATOM 1220 CE2 PHE A 73 -1.559 11.616 12.018 1.00 0.00 C ATOM 1221 CZ PHE A 73 -2.844 12.024 12.303 1.00 0.00 C ATOM 0 H PHE A 73 -1.928 5.379 13.361 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.197 7.622 12.334 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -1.907 7.779 14.478 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -0.460 7.972 13.509 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -3.879 9.342 14.046 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -0.079 10.107 12.282 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -4.675 11.530 13.286 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -0.914 12.244 11.422 1.00 0.00 H new ATOM 0 HZ PHE A 73 -3.202 12.977 11.944 1.00 0.00 H new ATOM 1231 N LEU A 74 -0.419 6.717 10.561 1.00 0.00 N ATOM 1232 CA LEU A 74 0.230 6.961 9.233 1.00 0.00 C ATOM 1233 C LEU A 74 -0.664 6.747 7.994 1.00 0.00 C ATOM 1234 O LEU A 74 -0.700 7.604 7.114 1.00 0.00 O ATOM 1235 CB LEU A 74 1.578 6.209 9.028 1.00 0.00 C ATOM 1236 CG LEU A 74 2.490 6.895 7.970 1.00 0.00 C ATOM 1237 CD1 LEU A 74 3.496 7.855 8.618 1.00 0.00 C ATOM 1238 CD2 LEU A 74 3.238 5.905 7.071 1.00 0.00 C ATOM 0 H LEU A 74 -0.018 5.942 11.089 1.00 0.00 H new ATOM 0 HA LEU A 74 0.430 8.030 9.299 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.108 6.155 9.979 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.375 5.184 8.717 1.00 0.00 H new ATOM 0 HG LEU A 74 1.806 7.461 7.338 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.113 8.312 7.844 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.959 8.633 9.161 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.132 7.303 9.310 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.854 6.454 6.358 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.874 5.266 7.684 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.519 5.289 6.530 1.00 0.00 H new ATOM 1250 N ALA A 75 -1.460 5.642 7.895 1.00 0.00 N ATOM 1251 CA ALA A 75 -2.425 5.387 6.820 1.00 0.00 C ATOM 1252 C ALA A 75 -3.645 6.341 6.727 1.00 0.00 C ATOM 1253 O ALA A 75 -4.333 6.369 5.712 1.00 0.00 O ATOM 1254 CB ALA A 75 -2.894 3.921 6.869 1.00 0.00 C ATOM 0 H ALA A 75 -1.436 4.893 8.587 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.865 5.598 5.909 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.610 3.741 6.067 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.036 3.260 6.744 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.368 3.723 7.830 1.00 0.00 H new ATOM 1260 N ALA A 76 -3.911 7.185 7.770 1.00 0.00 N ATOM 1261 CA ALA A 76 -4.904 8.245 7.851 1.00 0.00 C ATOM 1262 C ALA A 76 -4.288 9.619 7.530 1.00 0.00 C ATOM 1263 O ALA A 76 -4.929 10.656 7.684 1.00 0.00 O ATOM 1264 CB ALA A 76 -5.540 8.246 9.260 1.00 0.00 C ATOM 0 H ALA A 76 -3.378 7.115 8.637 1.00 0.00 H new ATOM 0 HA ALA A 76 -5.677 8.056 7.106 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.284 9.040 9.323 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -6.019 7.284 9.444 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.766 8.415 10.009 1.00 0.00 H new ATOM 1270 N ASN A 77 -3.005 9.637 7.081 1.00 0.00 N ATOM 1271 CA ASN A 77 -2.208 10.808 6.735 1.00 0.00 C ATOM 1272 C ASN A 77 -1.582 10.574 5.354 1.00 0.00 C ATOM 1273 O ASN A 77 -1.642 11.433 4.479 1.00 0.00 O ATOM 1274 CB ASN A 77 -1.162 11.090 7.862 1.00 0.00 C ATOM 1275 CG ASN A 77 -0.608 12.520 7.877 1.00 0.00 C ATOM 1276 OD1 ASN A 77 -1.115 13.394 8.582 1.00 0.00 O ATOM 1277 ND2 ASN A 77 0.485 12.772 7.115 1.00 0.00 N ATOM 0 H ASN A 77 -2.482 8.771 6.948 1.00 0.00 H new ATOM 0 HA ASN A 77 -2.822 11.706 6.668 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -1.624 10.883 8.828 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -0.331 10.394 7.750 1.00 0.00 H new ATOM 0 HD21 ASN A 77 0.905 13.701 7.117 1.00 0.00 H new ATOM 0 HD22 ASN A 77 0.887 12.032 6.539 1.00 0.00 H new ATOM 1284 N GLU A 78 -0.968 9.378 5.116 1.00 0.00 N ATOM 1285 CA GLU A 78 -0.387 8.952 3.837 1.00 0.00 C ATOM 1286 C GLU A 78 -1.260 7.867 3.206 1.00 0.00 C ATOM 1287 O GLU A 78 -0.815 6.775 2.849 1.00 0.00 O ATOM 1288 CB GLU A 78 1.081 8.452 3.951 1.00 0.00 C ATOM 1289 CG GLU A 78 2.059 9.570 4.358 1.00 0.00 C ATOM 1290 CD GLU A 78 3.497 9.052 4.324 1.00 0.00 C ATOM 1291 OE1 GLU A 78 3.935 8.578 3.242 1.00 0.00 O ATOM 1292 OE2 GLU A 78 4.182 9.135 5.377 1.00 0.00 O ATOM 0 H GLU A 78 -0.868 8.670 5.844 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.360 9.837 3.202 1.00 0.00 H new ATOM 0 HB2 GLU A 78 1.130 7.647 4.684 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.393 8.032 2.995 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.954 10.419 3.682 1.00 0.00 H new ATOM 0 HG3 GLU A 78 1.817 9.928 5.359 1.00 0.00 H new ATOM 1299 N SER A 79 -2.563 8.187 3.021 1.00 0.00 N ATOM 1300 CA SER A 79 -3.647 7.366 2.487 1.00 0.00 C ATOM 1301 C SER A 79 -3.661 7.224 0.975 1.00 0.00 C ATOM 1302 O SER A 79 -4.700 7.410 0.351 1.00 0.00 O ATOM 1303 CB SER A 79 -5.011 7.995 2.893 1.00 0.00 C ATOM 1304 OG SER A 79 -4.987 8.368 4.266 1.00 0.00 O ATOM 0 H SER A 79 -2.901 9.117 3.269 1.00 0.00 H new ATOM 0 HA SER A 79 -3.483 6.373 2.907 1.00 0.00 H new ATOM 0 HB2 SER A 79 -5.216 8.869 2.274 1.00 0.00 H new ATOM 0 HB3 SER A 79 -5.816 7.282 2.716 1.00 0.00 H new ATOM 0 HG SER A 79 -4.514 7.683 4.783 1.00 0.00 H new ATOM 1310 N ARG A 80 -2.493 6.927 0.352 1.00 0.00 N ATOM 1311 CA ARG A 80 -2.312 6.841 -1.092 1.00 0.00 C ATOM 1312 C ARG A 80 -2.097 5.415 -1.554 1.00 0.00 C ATOM 1313 O ARG A 80 -2.531 5.082 -2.652 1.00 0.00 O ATOM 1314 CB ARG A 80 -1.218 7.818 -1.585 1.00 0.00 C ATOM 1315 CG ARG A 80 -1.491 9.299 -1.244 1.00 0.00 C ATOM 1316 CD ARG A 80 -0.287 10.215 -1.526 1.00 0.00 C ATOM 1317 NE ARG A 80 0.837 9.821 -0.602 1.00 0.00 N ATOM 1318 CZ ARG A 80 2.115 10.297 -0.718 1.00 0.00 C ATOM 1319 NH1 ARG A 80 2.440 11.213 -1.675 1.00 0.00 N ATOM 1320 NH2 ARG A 80 3.078 9.840 0.136 1.00 0.00 N ATOM 0 H ARG A 80 -1.635 6.738 0.869 1.00 0.00 H new ATOM 0 HA ARG A 80 -3.241 7.163 -1.562 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -0.263 7.526 -1.148 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -1.118 7.718 -2.666 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -2.348 9.647 -1.821 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -1.762 9.379 -0.191 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.026 10.121 -2.566 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -0.559 11.259 -1.369 1.00 0.00 H new ATOM 0 HE ARG A 80 0.634 9.164 0.151 1.00 0.00 H new ATOM 0 HH11 ARG A 80 1.726 11.554 -2.318 1.00 0.00 H new ATOM 0 HH12 ARG A 80 3.397 11.557 -1.747 1.00 0.00 H new ATOM 0 HH21 ARG A 80 2.841 9.151 0.850 1.00 0.00 H new ATOM 0 HH22 ARG A 80 4.034 10.187 0.059 1.00 0.00 H new ATOM 1334 N VAL A 81 -1.465 4.499 -0.748 1.00 0.00 N ATOM 1335 CA VAL A 81 -1.349 3.062 -1.066 1.00 0.00 C ATOM 1336 C VAL A 81 -2.679 2.282 -0.949 1.00 0.00 C ATOM 1337 O VAL A 81 -3.640 2.769 -0.354 1.00 0.00 O ATOM 1338 CB VAL A 81 -0.232 2.389 -0.224 1.00 0.00 C ATOM 1339 CG1 VAL A 81 -0.688 1.382 0.852 1.00 0.00 C ATOM 1340 CG2 VAL A 81 0.713 1.657 -1.167 1.00 0.00 C ATOM 0 H VAL A 81 -1.027 4.753 0.137 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.072 3.017 -2.119 1.00 0.00 H new ATOM 0 HB VAL A 81 0.231 3.211 0.321 1.00 0.00 H new ATOM 0 HG11 VAL A 81 0.184 0.983 1.370 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.337 1.885 1.569 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.234 0.566 0.379 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.504 1.178 -0.590 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.159 0.899 -1.721 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.153 2.368 -1.866 1.00 0.00 H new ATOM 1350 N ARG A 82 -2.757 1.021 -1.473 1.00 0.00 N ATOM 1351 CA ARG A 82 -3.973 0.215 -1.337 1.00 0.00 C ATOM 1352 C ARG A 82 -3.685 -1.188 -0.801 1.00 0.00 C ATOM 1353 O ARG A 82 -2.646 -1.779 -1.102 1.00 0.00 O ATOM 1354 CB ARG A 82 -4.719 0.167 -2.688 1.00 0.00 C ATOM 1355 CG ARG A 82 -3.995 -0.621 -3.784 1.00 0.00 C ATOM 1356 CD ARG A 82 -4.873 -0.661 -5.043 1.00 0.00 C ATOM 1357 NE ARG A 82 -4.079 -1.043 -6.259 1.00 0.00 N ATOM 1358 CZ ARG A 82 -4.667 -1.207 -7.487 1.00 0.00 C ATOM 1359 NH1 ARG A 82 -6.020 -1.098 -7.634 1.00 0.00 N ATOM 1360 NH2 ARG A 82 -3.895 -1.470 -8.580 1.00 0.00 N ATOM 0 H ARG A 82 -1.999 0.564 -1.980 1.00 0.00 H new ATOM 0 HA ARG A 82 -4.615 0.693 -0.597 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -5.703 -0.274 -2.530 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -4.879 1.187 -3.037 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -3.036 -0.155 -4.010 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -3.784 -1.634 -3.441 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -5.684 -1.374 -4.899 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -5.331 0.316 -5.199 1.00 0.00 H new ATOM 0 HE ARG A 82 -3.073 -1.185 -6.169 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -6.606 -0.892 -6.825 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -6.445 -1.222 -8.553 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -2.882 -1.544 -8.483 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -4.330 -1.592 -9.494 1.00 0.00 H new ATOM 1374 N THR A 83 -4.627 -1.745 0.012 1.00 0.00 N ATOM 1375 CA THR A 83 -4.595 -3.086 0.626 1.00 0.00 C ATOM 1376 C THR A 83 -5.636 -3.946 -0.062 1.00 0.00 C ATOM 1377 O THR A 83 -6.810 -3.586 -0.108 1.00 0.00 O ATOM 1378 CB THR A 83 -4.892 -3.104 2.132 1.00 0.00 C ATOM 1379 OG1 THR A 83 -4.098 -2.141 2.809 1.00 0.00 O ATOM 1380 CG2 THR A 83 -4.588 -4.482 2.756 1.00 0.00 C ATOM 0 H THR A 83 -5.473 -1.234 0.265 1.00 0.00 H new ATOM 0 HA THR A 83 -3.578 -3.458 0.501 1.00 0.00 H new ATOM 0 HB THR A 83 -5.952 -2.877 2.243 1.00 0.00 H new ATOM 0 HG1 THR A 83 -3.193 -2.140 2.432 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.811 -4.455 3.823 1.00 0.00 H new ATOM 0 HG22 THR A 83 -5.203 -5.243 2.276 1.00 0.00 H new ATOM 0 HG23 THR A 83 -3.535 -4.723 2.611 1.00 0.00 H new ATOM 1388 N GLU A 84 -5.252 -5.114 -0.619 1.00 0.00 N ATOM 1389 CA GLU A 84 -6.159 -5.972 -1.360 1.00 0.00 C ATOM 1390 C GLU A 84 -6.076 -7.369 -0.783 1.00 0.00 C ATOM 1391 O GLU A 84 -5.020 -7.766 -0.290 1.00 0.00 O ATOM 1392 CB GLU A 84 -5.713 -5.924 -2.853 1.00 0.00 C ATOM 1393 CG GLU A 84 -6.628 -6.648 -3.859 1.00 0.00 C ATOM 1394 CD GLU A 84 -6.055 -6.446 -5.264 1.00 0.00 C ATOM 1395 OE1 GLU A 84 -5.972 -5.269 -5.708 1.00 0.00 O ATOM 1396 OE2 GLU A 84 -5.690 -7.464 -5.910 1.00 0.00 O ATOM 0 H GLU A 84 -4.300 -5.476 -0.559 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.197 -5.648 -1.289 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.632 -4.879 -3.153 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.714 -6.355 -2.926 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.687 -7.710 -3.622 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.642 -6.252 -3.802 1.00 0.00 H new ATOM 1403 N THR A 85 -7.170 -8.182 -0.851 1.00 0.00 N ATOM 1404 CA THR A 85 -7.136 -9.590 -0.452 1.00 0.00 C ATOM 1405 C THR A 85 -6.937 -10.367 -1.755 1.00 0.00 C ATOM 1406 O THR A 85 -7.805 -10.395 -2.628 1.00 0.00 O ATOM 1407 CB THR A 85 -8.388 -10.035 0.297 1.00 0.00 C ATOM 1408 OG1 THR A 85 -8.746 -9.063 1.270 1.00 0.00 O ATOM 1409 CG2 THR A 85 -8.098 -11.342 1.055 1.00 0.00 C ATOM 0 H THR A 85 -8.082 -7.869 -1.182 1.00 0.00 H new ATOM 0 HA THR A 85 -6.332 -9.773 0.261 1.00 0.00 H new ATOM 0 HB THR A 85 -9.190 -10.169 -0.429 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.552 -9.356 1.745 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.993 -11.659 1.590 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.806 -12.117 0.346 1.00 0.00 H new ATOM 0 HG23 THR A 85 -7.289 -11.178 1.767 1.00 0.00 H new ATOM 1417 N ARG A 86 -5.741 -10.970 -1.939 1.00 0.00 N ATOM 1418 CA ARG A 86 -5.332 -11.542 -3.205 1.00 0.00 C ATOM 1419 C ARG A 86 -4.636 -12.848 -2.903 1.00 0.00 C ATOM 1420 O ARG A 86 -3.963 -12.955 -1.878 1.00 0.00 O ATOM 1421 CB ARG A 86 -4.387 -10.494 -3.860 1.00 0.00 C ATOM 1422 CG ARG A 86 -4.202 -10.537 -5.391 1.00 0.00 C ATOM 1423 CD ARG A 86 -3.242 -11.610 -5.925 1.00 0.00 C ATOM 1424 NE ARG A 86 -2.972 -11.309 -7.374 1.00 0.00 N ATOM 1425 CZ ARG A 86 -2.037 -11.970 -8.125 1.00 0.00 C ATOM 1426 NH1 ARG A 86 -1.311 -12.997 -7.599 1.00 0.00 N ATOM 1427 NH2 ARG A 86 -1.828 -11.589 -9.419 1.00 0.00 N ATOM 0 H ARG A 86 -5.043 -11.065 -1.201 1.00 0.00 H new ATOM 0 HA ARG A 86 -6.154 -11.755 -3.888 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -4.756 -9.503 -3.597 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.403 -10.600 -3.402 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -5.178 -10.691 -5.850 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -3.844 -9.562 -5.721 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -2.313 -11.608 -5.355 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.680 -12.602 -5.817 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.516 -10.571 -7.822 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.460 -13.284 -6.632 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.619 -13.478 -8.173 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.366 -10.819 -9.817 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.134 -12.074 -9.988 1.00 0.00 H new ATOM 1441 N ARG A 87 -4.786 -13.869 -3.787 1.00 0.00 N ATOM 1442 CA ARG A 87 -4.216 -15.212 -3.694 1.00 0.00 C ATOM 1443 C ARG A 87 -2.794 -15.287 -4.257 1.00 0.00 C ATOM 1444 O ARG A 87 -2.577 -15.012 -5.433 1.00 0.00 O ATOM 1445 CB ARG A 87 -5.163 -16.214 -4.416 1.00 0.00 C ATOM 1446 CG ARG A 87 -4.761 -17.710 -4.446 1.00 0.00 C ATOM 1447 CD ARG A 87 -4.011 -18.112 -5.734 1.00 0.00 C ATOM 1448 NE ARG A 87 -3.989 -19.609 -5.859 1.00 0.00 N ATOM 1449 CZ ARG A 87 -3.248 -20.269 -6.804 1.00 0.00 C ATOM 1450 NH1 ARG A 87 -2.465 -19.581 -7.687 1.00 0.00 N ATOM 1451 NH2 ARG A 87 -3.287 -21.631 -6.856 1.00 0.00 N ATOM 0 H ARG A 87 -5.346 -13.755 -4.632 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.134 -15.478 -2.640 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.144 -16.142 -3.946 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.278 -15.879 -5.447 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -4.131 -17.928 -3.583 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.657 -18.323 -4.349 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -4.499 -17.672 -6.603 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.993 -17.724 -5.710 1.00 0.00 H new ATOM 0 HE ARG A 87 -4.552 -20.160 -5.210 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -2.426 -18.562 -7.648 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -1.919 -20.086 -8.385 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -3.865 -22.150 -6.195 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -2.739 -22.131 -7.556 1.00 0.00 H new ATOM 1465 N ILE A 88 -1.780 -15.675 -3.441 1.00 0.00 N ATOM 1466 CA ILE A 88 -0.381 -15.796 -3.852 1.00 0.00 C ATOM 1467 C ILE A 88 0.146 -17.106 -3.308 1.00 0.00 C ATOM 1468 O ILE A 88 0.091 -17.357 -2.107 1.00 0.00 O ATOM 1469 CB ILE A 88 0.525 -14.609 -3.464 1.00 0.00 C ATOM 1470 CG1 ILE A 88 0.264 -14.001 -2.054 1.00 0.00 C ATOM 1471 CG2 ILE A 88 0.373 -13.568 -4.589 1.00 0.00 C ATOM 1472 CD1 ILE A 88 -0.718 -12.818 -2.028 1.00 0.00 C ATOM 0 H ILE A 88 -1.929 -15.915 -2.461 1.00 0.00 H new ATOM 0 HA ILE A 88 -0.356 -15.779 -4.942 1.00 0.00 H new ATOM 0 HB ILE A 88 1.551 -14.966 -3.372 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.119 -14.786 -1.402 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.215 -13.673 -1.634 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.995 -12.700 -4.368 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.686 -14.007 -5.536 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.670 -13.259 -4.660 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.834 -12.464 -1.004 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.331 -12.010 -2.649 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.686 -13.140 -2.413 1.00 0.00 H new ATOM 1484 N GLY A 89 0.627 -18.021 -4.210 1.00 0.00 N ATOM 1485 CA GLY A 89 1.161 -19.379 -3.866 1.00 0.00 C ATOM 1486 C GLY A 89 0.137 -20.334 -3.288 1.00 0.00 C ATOM 1487 O GLY A 89 0.468 -21.243 -2.538 1.00 0.00 O ATOM 0 H GLY A 89 0.654 -17.831 -5.212 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.587 -19.825 -4.765 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.975 -19.264 -3.150 1.00 0.00 H new ATOM 1491 N GLY A 90 -1.157 -20.095 -3.608 1.00 0.00 N ATOM 1492 CA GLY A 90 -2.303 -20.831 -3.052 1.00 0.00 C ATOM 1493 C GLY A 90 -2.937 -20.207 -1.826 1.00 0.00 C ATOM 1494 O GLY A 90 -3.859 -20.803 -1.278 1.00 0.00 O ATOM 0 H GLY A 90 -1.432 -19.371 -4.272 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -3.064 -20.925 -3.827 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -1.978 -21.840 -2.799 1.00 0.00 H new ATOM 1498 N ALA A 91 -2.491 -19.019 -1.322 1.00 0.00 N ATOM 1499 CA ALA A 91 -3.023 -18.470 -0.087 1.00 0.00 C ATOM 1500 C ALA A 91 -3.377 -17.001 -0.275 1.00 0.00 C ATOM 1501 O ALA A 91 -2.631 -16.246 -0.895 1.00 0.00 O ATOM 1502 CB ALA A 91 -1.975 -18.657 1.028 1.00 0.00 C ATOM 0 H ALA A 91 -1.772 -18.446 -1.764 1.00 0.00 H new ATOM 0 HA ALA A 91 -3.937 -18.993 0.194 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -2.361 -18.249 1.962 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -1.765 -19.719 1.155 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.057 -18.135 0.756 1.00 0.00 H new ATOM 1508 N ASP A 92 -4.547 -16.554 0.258 1.00 0.00 N ATOM 1509 CA ASP A 92 -5.075 -15.198 0.195 1.00 0.00 C ATOM 1510 C ASP A 92 -4.743 -14.396 1.460 1.00 0.00 C ATOM 1511 O ASP A 92 -5.121 -14.779 2.565 1.00 0.00 O ATOM 1512 CB ASP A 92 -6.597 -15.156 -0.168 1.00 0.00 C ATOM 1513 CG ASP A 92 -7.519 -15.887 0.823 1.00 0.00 C ATOM 1514 OD1 ASP A 92 -7.430 -17.140 0.916 1.00 0.00 O ATOM 1515 OD2 ASP A 92 -8.332 -15.191 1.488 1.00 0.00 O ATOM 0 H ASP A 92 -5.169 -17.181 0.769 1.00 0.00 H new ATOM 0 HA ASP A 92 -4.564 -14.703 -0.631 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -6.911 -14.114 -0.234 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -6.732 -15.593 -1.157 1.00 0.00 H new ATOM 1520 N PHE A 93 -4.006 -13.270 1.335 1.00 0.00 N ATOM 1521 CA PHE A 93 -3.585 -12.438 2.454 1.00 0.00 C ATOM 1522 C PHE A 93 -4.031 -11.051 2.111 1.00 0.00 C ATOM 1523 O PHE A 93 -4.443 -10.778 0.981 1.00 0.00 O ATOM 1524 CB PHE A 93 -2.021 -12.369 2.604 1.00 0.00 C ATOM 1525 CG PHE A 93 -1.452 -13.757 2.762 1.00 0.00 C ATOM 1526 CD1 PHE A 93 -1.723 -14.529 3.879 1.00 0.00 C ATOM 1527 CD2 PHE A 93 -0.673 -14.303 1.755 1.00 0.00 C ATOM 1528 CE1 PHE A 93 -1.241 -15.823 3.973 1.00 0.00 C ATOM 1529 CE2 PHE A 93 -0.199 -15.594 1.838 1.00 0.00 C ATOM 1530 CZ PHE A 93 -0.481 -16.358 2.950 1.00 0.00 C ATOM 0 H PHE A 93 -3.688 -12.919 0.432 1.00 0.00 H new ATOM 0 HA PHE A 93 -4.001 -12.846 3.375 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -1.585 -11.887 1.729 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.758 -11.759 3.468 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -2.315 -14.118 4.683 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -0.433 -13.705 0.888 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -1.459 -16.417 4.848 1.00 0.00 H new ATOM 0 HE2 PHE A 93 0.392 -16.006 1.034 1.00 0.00 H new ATOM 0 HZ PHE A 93 -0.110 -17.370 3.022 1.00 0.00 H new ATOM 1540 N LEU A 94 -3.810 -10.090 3.056 1.00 0.00 N ATOM 1541 CA LEU A 94 -3.926 -8.679 2.755 1.00 0.00 C ATOM 1542 C LEU A 94 -2.513 -8.314 2.280 1.00 0.00 C ATOM 1543 O LEU A 94 -1.549 -8.275 3.039 1.00 0.00 O ATOM 1544 CB LEU A 94 -4.370 -7.885 4.010 1.00 0.00 C ATOM 1545 CG LEU A 94 -5.901 -7.658 4.055 1.00 0.00 C ATOM 1546 CD1 LEU A 94 -6.658 -8.975 4.288 1.00 0.00 C ATOM 1547 CD2 LEU A 94 -6.288 -6.699 5.201 1.00 0.00 C ATOM 0 H LEU A 94 -3.553 -10.293 4.022 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.681 -8.441 2.006 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -4.059 -8.423 4.906 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.862 -6.921 4.025 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.175 -7.231 3.090 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.730 -8.779 4.314 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.436 -9.670 3.479 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.346 -9.411 5.237 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.369 -6.558 5.208 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.971 -7.124 6.154 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.798 -5.737 5.052 1.00 0.00 H new ATOM 1559 N VAL A 95 -2.410 -8.072 0.952 1.00 0.00 N ATOM 1560 CA VAL A 95 -1.191 -7.760 0.221 1.00 0.00 C ATOM 1561 C VAL A 95 -1.296 -6.278 0.012 1.00 0.00 C ATOM 1562 O VAL A 95 -2.370 -5.758 -0.314 1.00 0.00 O ATOM 1563 CB VAL A 95 -1.057 -8.545 -1.117 1.00 0.00 C ATOM 1564 CG1 VAL A 95 -2.210 -8.328 -2.133 1.00 0.00 C ATOM 1565 CG2 VAL A 95 0.251 -8.223 -1.876 1.00 0.00 C ATOM 0 H VAL A 95 -3.228 -8.094 0.342 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.293 -8.054 0.764 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.078 -9.578 -0.770 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.021 -8.918 -3.030 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.153 -8.641 -1.685 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.267 -7.272 -2.399 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.287 -8.800 -2.800 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.283 -7.159 -2.111 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.107 -8.482 -1.253 1.00 0.00 H new ATOM 1575 N TRP A 96 -0.174 -5.549 0.171 1.00 0.00 N ATOM 1576 CA TRP A 96 -0.201 -4.103 -0.116 1.00 0.00 C ATOM 1577 C TRP A 96 0.449 -3.958 -1.479 1.00 0.00 C ATOM 1578 O TRP A 96 1.219 -4.803 -1.938 1.00 0.00 O ATOM 1579 CB TRP A 96 0.724 -3.356 0.879 1.00 0.00 C ATOM 1580 CG TRP A 96 0.054 -2.597 1.989 1.00 0.00 C ATOM 1581 CD1 TRP A 96 -1.049 -1.802 1.957 1.00 0.00 C ATOM 1582 CD2 TRP A 96 0.713 -2.340 3.227 1.00 0.00 C ATOM 1583 NE1 TRP A 96 -1.111 -1.029 3.089 1.00 0.00 N ATOM 1584 CE2 TRP A 96 -0.030 -1.362 3.886 1.00 0.00 C ATOM 1585 CE3 TRP A 96 1.866 -2.854 3.739 1.00 0.00 C ATOM 1586 CZ2 TRP A 96 0.388 -0.874 5.089 1.00 0.00 C ATOM 1587 CZ3 TRP A 96 2.284 -2.372 4.954 1.00 0.00 C ATOM 1588 CH2 TRP A 96 1.564 -1.390 5.601 1.00 0.00 C ATOM 0 H TRP A 96 0.725 -5.917 0.483 1.00 0.00 H new ATOM 0 HA TRP A 96 -1.216 -3.711 -0.056 1.00 0.00 H new ATOM 0 HB2 TRP A 96 1.401 -4.084 1.326 1.00 0.00 H new ATOM 0 HB3 TRP A 96 1.338 -2.657 0.312 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -1.772 -1.782 1.155 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -1.826 -0.334 3.304 1.00 0.00 H new ATOM 0 HE3 TRP A 96 2.428 -3.610 3.210 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -0.174 -0.119 5.618 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 3.183 -2.764 5.406 1.00 0.00 H new ATOM 0 HH2 TRP A 96 1.932 -1.010 6.542 1.00 0.00 H new ATOM 1599 N ARG A 97 0.174 -2.834 -2.172 1.00 0.00 N ATOM 1600 CA ARG A 97 0.810 -2.589 -3.434 1.00 0.00 C ATOM 1601 C ARG A 97 0.753 -1.080 -3.588 1.00 0.00 C ATOM 1602 O ARG A 97 -0.273 -0.484 -3.217 1.00 0.00 O ATOM 1603 CB ARG A 97 0.085 -3.368 -4.554 1.00 0.00 C ATOM 1604 CG ARG A 97 -1.392 -3.001 -4.791 1.00 0.00 C ATOM 1605 CD ARG A 97 -2.129 -3.936 -5.759 1.00 0.00 C ATOM 1606 NE ARG A 97 -1.469 -3.832 -7.106 1.00 0.00 N ATOM 1607 CZ ARG A 97 -2.011 -4.332 -8.260 1.00 0.00 C ATOM 1608 NH1 ARG A 97 -3.249 -4.905 -8.262 1.00 0.00 N ATOM 1609 NH2 ARG A 97 -1.302 -4.247 -9.424 1.00 0.00 N ATOM 0 H ARG A 97 -0.475 -2.108 -1.867 1.00 0.00 H new ATOM 0 HA ARG A 97 1.842 -2.935 -3.492 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.630 -3.215 -5.486 1.00 0.00 H new ATOM 0 HB3 ARG A 97 0.141 -4.432 -4.323 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -1.913 -3.005 -3.834 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -1.443 -1.983 -5.178 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -2.093 -4.963 -5.396 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -3.181 -3.659 -5.829 1.00 0.00 H new ATOM 0 HE ARG A 97 -0.566 -3.362 -7.164 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -3.784 -4.965 -7.396 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -3.639 -5.273 -9.130 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -0.378 -3.814 -9.428 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -1.696 -4.616 -10.289 1.00 0.00 H new ATOM 1623 N TRP A 98 1.846 -0.438 -4.124 1.00 0.00 N ATOM 1624 CA TRP A 98 1.968 1.018 -4.297 1.00 0.00 C ATOM 1625 C TRP A 98 1.800 1.392 -5.768 1.00 0.00 C ATOM 1626 O TRP A 98 2.564 0.955 -6.621 1.00 0.00 O ATOM 1627 CB TRP A 98 3.254 1.675 -3.637 1.00 0.00 C ATOM 1628 CG TRP A 98 3.166 3.220 -3.532 1.00 0.00 C ATOM 1629 CD1 TRP A 98 3.166 4.062 -4.595 1.00 0.00 C ATOM 1630 CD2 TRP A 98 2.753 4.048 -2.417 1.00 0.00 C ATOM 1631 NE1 TRP A 98 2.440 5.181 -4.307 1.00 0.00 N ATOM 1632 CE2 TRP A 98 2.230 5.222 -2.959 1.00 0.00 C ATOM 1633 CE3 TRP A 98 2.785 3.865 -1.064 1.00 0.00 C ATOM 1634 CZ2 TRP A 98 1.701 6.202 -2.179 1.00 0.00 C ATOM 1635 CZ3 TRP A 98 2.242 4.863 -0.277 1.00 0.00 C ATOM 1636 CH2 TRP A 98 1.736 6.020 -0.817 1.00 0.00 C ATOM 0 H TRP A 98 2.670 -0.945 -4.447 1.00 0.00 H new ATOM 0 HA TRP A 98 1.149 1.457 -3.727 1.00 0.00 H new ATOM 0 HB2 TRP A 98 3.396 1.257 -2.640 1.00 0.00 H new ATOM 0 HB3 TRP A 98 4.133 1.407 -4.224 1.00 0.00 H new ATOM 0 HD1 TRP A 98 3.668 3.874 -5.533 1.00 0.00 H new ATOM 0 HE1 TRP A 98 2.110 5.869 -4.984 1.00 0.00 H new ATOM 0 HE3 TRP A 98 3.217 2.977 -0.627 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 1.269 7.091 -2.614 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 2.215 4.729 0.794 1.00 0.00 H new ATOM 0 HH2 TRP A 98 1.362 6.795 -0.165 1.00 0.00 H new ATOM 1647 N ILE A 99 0.770 2.233 -6.046 1.00 0.00 N ATOM 1648 CA ILE A 99 0.296 2.735 -7.315 1.00 0.00 C ATOM 1649 C ILE A 99 0.430 4.247 -7.359 1.00 0.00 C ATOM 1650 O ILE A 99 0.262 4.928 -6.345 1.00 0.00 O ATOM 1651 CB ILE A 99 -1.193 2.381 -7.466 1.00 0.00 C ATOM 1652 CG1 ILE A 99 -1.960 2.526 -6.108 1.00 0.00 C ATOM 1653 CG2 ILE A 99 -1.250 0.946 -8.046 1.00 0.00 C ATOM 1654 CD1 ILE A 99 -3.486 2.512 -6.241 1.00 0.00 C ATOM 0 H ILE A 99 0.203 2.604 -5.283 1.00 0.00 H new ATOM 0 HA ILE A 99 0.885 2.289 -8.117 1.00 0.00 H new ATOM 0 HB ILE A 99 -1.698 3.071 -8.141 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -1.657 1.715 -5.445 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -1.657 3.458 -5.631 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -2.290 0.646 -8.173 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -0.746 0.924 -9.012 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -0.754 0.257 -7.362 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -3.938 2.617 -5.255 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -3.803 3.339 -6.876 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -3.804 1.570 -6.687 1.00 0.00 H new ATOM 1666 N GLN A 100 0.715 4.786 -8.574 1.00 0.00 N ATOM 1667 CA GLN A 100 0.778 6.226 -8.829 1.00 0.00 C ATOM 1668 C GLN A 100 0.098 6.511 -10.165 1.00 0.00 C ATOM 1669 O GLN A 100 0.717 6.212 -11.187 1.00 0.00 O ATOM 1670 CB GLN A 100 2.224 6.792 -8.856 1.00 0.00 C ATOM 1671 CG GLN A 100 2.941 6.737 -7.496 1.00 0.00 C ATOM 1672 CD GLN A 100 2.456 7.824 -6.543 1.00 0.00 C ATOM 1673 OE1 GLN A 100 1.273 8.080 -6.318 1.00 0.00 O ATOM 1674 NE2 GLN A 100 3.450 8.528 -5.940 1.00 0.00 N ATOM 0 H GLN A 100 0.907 4.219 -9.400 1.00 0.00 H new ATOM 0 HA GLN A 100 0.270 6.723 -8.003 1.00 0.00 H new ATOM 0 HB2 GLN A 100 2.809 6.233 -9.587 1.00 0.00 H new ATOM 0 HB3 GLN A 100 2.192 7.827 -9.197 1.00 0.00 H new ATOM 0 HG2 GLN A 100 2.779 5.760 -7.042 1.00 0.00 H new ATOM 0 HG3 GLN A 100 4.015 6.844 -7.649 1.00 0.00 H new ATOM 0 HE21 GLN A 100 4.425 8.304 -6.137 1.00 0.00 H new ATOM 0 HE22 GLN A 100 3.221 9.280 -5.291 1.00 0.00 H new ATOM 1683 N PRO A 101 -1.141 7.049 -10.280 1.00 0.00 N ATOM 1684 CA PRO A 101 -1.841 7.249 -11.553 1.00 0.00 C ATOM 1685 C PRO A 101 -1.233 8.294 -12.496 1.00 0.00 C ATOM 1686 O PRO A 101 -0.767 9.339 -12.037 1.00 0.00 O ATOM 1687 CB PRO A 101 -3.251 7.717 -11.128 1.00 0.00 C ATOM 1688 CG PRO A 101 -3.441 7.120 -9.739 1.00 0.00 C ATOM 1689 CD PRO A 101 -2.042 7.286 -9.151 1.00 0.00 C ATOM 0 HA PRO A 101 -1.799 6.324 -12.129 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -3.320 8.805 -11.107 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -4.014 7.363 -11.821 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -4.196 7.653 -9.162 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -3.749 6.075 -9.779 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -1.902 8.283 -8.734 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -1.863 6.575 -8.344 1.00 0.00 H new ATOM 1697 N SER A 102 -1.314 8.026 -13.823 1.00 0.00 N ATOM 1698 CA SER A 102 -0.929 8.899 -14.934 1.00 0.00 C ATOM 1699 C SER A 102 0.560 8.972 -15.307 1.00 0.00 C ATOM 1700 O SER A 102 1.004 9.935 -15.928 1.00 0.00 O ATOM 1701 CB SER A 102 -1.628 10.302 -14.897 1.00 0.00 C ATOM 1702 OG SER A 102 -1.158 11.160 -13.858 1.00 0.00 O ATOM 0 H SER A 102 -1.675 7.132 -14.156 1.00 0.00 H new ATOM 0 HA SER A 102 -1.339 8.354 -15.784 1.00 0.00 H new ATOM 0 HB2 SER A 102 -1.478 10.796 -15.857 1.00 0.00 H new ATOM 0 HB3 SER A 102 -2.702 10.158 -14.777 1.00 0.00 H new ATOM 0 HG SER A 102 -0.691 10.628 -13.181 1.00 0.00 H new ATOM 1708 N ALA A 103 1.387 7.939 -14.990 1.00 0.00 N ATOM 1709 CA ALA A 103 2.821 7.891 -15.274 1.00 0.00 C ATOM 1710 C ALA A 103 3.262 7.672 -16.742 1.00 0.00 C ATOM 1711 O ALA A 103 3.943 6.698 -17.065 1.00 0.00 O ATOM 1712 CB ALA A 103 3.455 6.826 -14.357 1.00 0.00 C ATOM 0 H ALA A 103 1.051 7.100 -14.517 1.00 0.00 H new ATOM 0 HA ALA A 103 3.180 8.900 -15.073 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.526 6.771 -14.550 1.00 0.00 H new ATOM 0 HB2 ALA A 103 3.288 7.097 -13.315 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.000 5.856 -14.557 1.00 0.00 H new ATOM 1718 N SER A 104 2.889 8.627 -17.636 1.00 0.00 N ATOM 1719 CA SER A 104 3.214 8.766 -19.065 1.00 0.00 C ATOM 1720 C SER A 104 2.161 8.246 -20.032 1.00 0.00 C ATOM 1721 O SER A 104 1.694 8.989 -20.890 1.00 0.00 O ATOM 1722 CB SER A 104 4.659 8.343 -19.532 1.00 0.00 C ATOM 1723 OG SER A 104 4.914 6.937 -19.449 1.00 0.00 O ATOM 0 H SER A 104 2.290 9.395 -17.332 1.00 0.00 H new ATOM 0 HA SER A 104 3.208 9.854 -19.125 1.00 0.00 H new ATOM 0 HB2 SER A 104 4.805 8.667 -20.562 1.00 0.00 H new ATOM 0 HB3 SER A 104 5.394 8.871 -18.924 1.00 0.00 H new ATOM 0 HG SER A 104 4.613 6.601 -18.579 1.00 0.00 H new ATOM 1729 N CYS A 105 1.807 6.939 -19.924 1.00 0.00 N ATOM 1730 CA CYS A 105 0.947 6.114 -20.781 1.00 0.00 C ATOM 1731 C CYS A 105 -0.395 6.653 -21.311 1.00 0.00 C ATOM 1732 O CYS A 105 -0.593 6.732 -22.519 1.00 0.00 O ATOM 1733 CB CYS A 105 0.765 4.712 -20.113 1.00 0.00 C ATOM 1734 SG CYS A 105 0.287 3.349 -21.238 1.00 0.00 S ATOM 0 H CYS A 105 2.163 6.386 -19.144 1.00 0.00 H new ATOM 0 HA CYS A 105 1.509 6.093 -21.714 1.00 0.00 H new ATOM 0 HB2 CYS A 105 1.699 4.441 -19.621 1.00 0.00 H new ATOM 0 HB3 CYS A 105 0.007 4.797 -19.334 1.00 0.00 H new ATOM 0 HG CYS A 105 -0.956 3.492 -21.589 1.00 0.00 H new ATOM 1740 N ASP A 106 -1.362 7.005 -20.430 1.00 0.00 N ATOM 1741 CA ASP A 106 -2.687 7.479 -20.822 1.00 0.00 C ATOM 1742 C ASP A 106 -3.173 8.441 -19.756 1.00 0.00 C ATOM 1743 O ASP A 106 -2.812 8.283 -18.591 1.00 0.00 O ATOM 1744 CB ASP A 106 -3.752 6.338 -20.945 1.00 0.00 C ATOM 1745 CG ASP A 106 -3.455 5.416 -22.134 1.00 0.00 C ATOM 1746 OD1 ASP A 106 -3.519 5.907 -23.292 1.00 0.00 O ATOM 1747 OD2 ASP A 106 -3.166 4.213 -21.896 1.00 0.00 O ATOM 0 H ASP A 106 -1.230 6.963 -19.419 1.00 0.00 H new ATOM 0 HA ASP A 106 -2.584 7.940 -21.804 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -3.768 5.753 -20.025 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -4.743 6.776 -21.062 1.00 0.00 H new ATOM 1752 N LYS A 107 -4.022 9.418 -20.180 1.00 0.00 N ATOM 1753 CA LYS A 107 -4.700 10.472 -19.414 1.00 0.00 C ATOM 1754 C LYS A 107 -4.151 11.862 -19.731 1.00 0.00 C ATOM 1755 O LYS A 107 -3.113 12.293 -19.234 1.00 0.00 O ATOM 1756 CB LYS A 107 -4.838 10.268 -17.868 1.00 0.00 C ATOM 1757 CG LYS A 107 -5.750 11.260 -17.109 1.00 0.00 C ATOM 1758 CD LYS A 107 -7.230 11.222 -17.524 1.00 0.00 C ATOM 1759 CE LYS A 107 -8.083 12.224 -16.735 1.00 0.00 C ATOM 1760 NZ LYS A 107 -9.505 12.154 -17.143 1.00 0.00 N ATOM 0 H LYS A 107 -4.265 9.483 -21.169 1.00 0.00 H new ATOM 0 HA LYS A 107 -5.725 10.385 -19.775 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -5.213 9.260 -17.691 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -3.842 10.319 -17.429 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -5.681 11.051 -16.041 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -5.370 12.270 -17.261 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -7.312 11.438 -18.589 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -7.622 10.216 -17.372 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -7.997 12.018 -15.668 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -7.705 13.234 -16.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -10.058 12.842 -16.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -9.587 12.374 -18.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -9.870 11.196 -16.966 1.00 0.00 H new ATOM 1774 N ILE A 108 -4.895 12.650 -20.561 1.00 0.00 N ATOM 1775 CA ILE A 108 -4.575 14.027 -20.954 1.00 0.00 C ATOM 1776 C ILE A 108 -5.042 14.996 -19.872 1.00 0.00 C ATOM 1777 O ILE A 108 -6.162 15.508 -19.867 1.00 0.00 O ATOM 1778 CB ILE A 108 -5.141 14.407 -22.339 1.00 0.00 C ATOM 1779 CG1 ILE A 108 -4.636 13.412 -23.429 1.00 0.00 C ATOM 1780 CG2 ILE A 108 -4.774 15.872 -22.726 1.00 0.00 C ATOM 1781 CD1 ILE A 108 -3.121 13.483 -23.675 1.00 0.00 C ATOM 0 H ILE A 108 -5.763 12.318 -20.982 1.00 0.00 H new ATOM 0 HA ILE A 108 -3.492 14.097 -21.051 1.00 0.00 H new ATOM 0 HB ILE A 108 -6.227 14.342 -22.281 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -4.900 12.397 -23.132 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -5.157 13.616 -24.364 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -5.189 16.104 -23.707 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -5.186 16.558 -21.986 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -3.690 15.980 -22.756 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -2.843 12.763 -24.445 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -2.852 14.487 -24.003 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -2.591 13.249 -22.752 1.00 0.00 H new ATOM 1793 N LEU A 109 -4.143 15.269 -18.892 1.00 0.00 N ATOM 1794 CA LEU A 109 -4.393 16.164 -17.772 1.00 0.00 C ATOM 1795 C LEU A 109 -4.278 17.645 -18.112 1.00 0.00 C ATOM 1796 O LEU A 109 -3.252 18.286 -17.917 1.00 0.00 O ATOM 1797 CB LEU A 109 -3.522 15.836 -16.522 1.00 0.00 C ATOM 1798 CG LEU A 109 -3.929 14.552 -15.761 1.00 0.00 C ATOM 1799 CD1 LEU A 109 -2.885 14.220 -14.679 1.00 0.00 C ATOM 1800 CD2 LEU A 109 -5.325 14.657 -15.110 1.00 0.00 C ATOM 0 H LEU A 109 -3.210 14.856 -18.873 1.00 0.00 H new ATOM 0 HA LEU A 109 -5.438 15.974 -17.525 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -2.483 15.740 -16.837 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -3.570 16.679 -15.833 1.00 0.00 H new ATOM 0 HG LEU A 109 -3.972 13.753 -16.501 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.184 13.314 -14.151 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.913 14.064 -15.147 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -2.818 15.047 -13.972 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -5.555 13.727 -14.591 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -5.333 15.482 -14.397 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -6.074 14.837 -15.882 1.00 0.00 H new ATOM 1812 N VAL A 110 -5.431 18.209 -18.566 1.00 0.00 N ATOM 1813 CA VAL A 110 -5.701 19.628 -18.795 1.00 0.00 C ATOM 1814 C VAL A 110 -6.692 20.075 -17.708 1.00 0.00 C ATOM 1815 O VAL A 110 -7.209 21.188 -17.670 1.00 0.00 O ATOM 1816 CB VAL A 110 -6.162 19.888 -20.238 1.00 0.00 C ATOM 1817 CG1 VAL A 110 -7.542 19.265 -20.551 1.00 0.00 C ATOM 1818 CG2 VAL A 110 -6.117 21.394 -20.580 1.00 0.00 C ATOM 0 H VAL A 110 -6.241 17.632 -18.792 1.00 0.00 H new ATOM 0 HA VAL A 110 -4.799 20.234 -18.706 1.00 0.00 H new ATOM 0 HB VAL A 110 -5.450 19.379 -20.888 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -7.813 19.482 -21.584 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -7.495 18.186 -20.408 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -8.292 19.687 -19.882 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -6.449 21.544 -21.607 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -6.774 21.941 -19.903 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -5.097 21.761 -20.471 1.00 0.00 H new ATOM 1828 N ILE A 111 -6.951 19.136 -16.761 1.00 0.00 N ATOM 1829 CA ILE A 111 -7.814 19.213 -15.597 1.00 0.00 C ATOM 1830 C ILE A 111 -6.875 19.189 -14.384 1.00 0.00 C ATOM 1831 O ILE A 111 -6.127 18.214 -14.280 1.00 0.00 O ATOM 1832 CB ILE A 111 -8.772 18.008 -15.538 1.00 0.00 C ATOM 1833 CG1 ILE A 111 -9.500 17.760 -16.899 1.00 0.00 C ATOM 1834 CG2 ILE A 111 -9.778 18.183 -14.366 1.00 0.00 C ATOM 1835 CD1 ILE A 111 -10.428 18.903 -17.354 1.00 0.00 C ATOM 0 H ILE A 111 -6.505 18.220 -16.818 1.00 0.00 H new ATOM 0 HA ILE A 111 -8.431 20.111 -15.625 1.00 0.00 H new ATOM 0 HB ILE A 111 -8.176 17.115 -15.350 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -8.749 17.592 -17.671 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -10.086 16.845 -16.820 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -10.451 17.326 -14.333 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -9.232 18.252 -13.425 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -10.358 19.094 -14.517 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -10.888 18.641 -18.307 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -11.206 19.060 -16.606 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -9.848 19.818 -17.471 1.00 0.00 H new ATOM 1847 N PRO A 112 -6.808 20.164 -13.452 1.00 0.00 N ATOM 1848 CA PRO A 112 -5.892 20.138 -12.301 1.00 0.00 C ATOM 1849 C PRO A 112 -6.421 19.309 -11.110 1.00 0.00 C ATOM 1850 O PRO A 112 -7.606 18.999 -11.031 1.00 0.00 O ATOM 1851 CB PRO A 112 -5.788 21.638 -11.943 1.00 0.00 C ATOM 1852 CG PRO A 112 -7.170 22.211 -12.283 1.00 0.00 C ATOM 1853 CD PRO A 112 -7.583 21.406 -13.519 1.00 0.00 C ATOM 0 HA PRO A 112 -4.941 19.660 -12.535 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -5.548 21.779 -10.889 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -5.002 22.129 -12.517 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -7.875 22.079 -11.462 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -7.123 23.279 -12.494 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -8.654 21.202 -13.515 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -7.367 21.955 -14.436 1.00 0.00 H new ATOM 1861 N SER A 113 -5.541 18.965 -10.141 1.00 0.00 N ATOM 1862 CA SER A 113 -5.905 18.244 -8.918 1.00 0.00 C ATOM 1863 C SER A 113 -5.004 18.677 -7.767 1.00 0.00 C ATOM 1864 O SER A 113 -5.306 19.620 -7.039 1.00 0.00 O ATOM 1865 CB SER A 113 -5.967 16.689 -9.093 1.00 0.00 C ATOM 1866 OG SER A 113 -4.739 16.112 -9.550 1.00 0.00 O ATOM 0 H SER A 113 -4.547 19.188 -10.196 1.00 0.00 H new ATOM 0 HA SER A 113 -6.930 18.522 -8.673 1.00 0.00 H new ATOM 0 HB2 SER A 113 -6.239 16.236 -8.140 1.00 0.00 H new ATOM 0 HB3 SER A 113 -6.759 16.443 -9.800 1.00 0.00 H new ATOM 0 HG SER A 113 -4.846 15.142 -9.636 1.00 0.00 H new ATOM 1872 N LYS A 114 -3.851 17.995 -7.583 1.00 0.00 N ATOM 1873 CA LYS A 114 -2.864 18.278 -6.554 1.00 0.00 C ATOM 1874 C LYS A 114 -1.511 18.499 -7.215 1.00 0.00 C ATOM 1875 O LYS A 114 -1.020 17.653 -7.958 1.00 0.00 O ATOM 1876 CB LYS A 114 -2.824 17.120 -5.522 1.00 0.00 C ATOM 1877 CG LYS A 114 -2.089 17.424 -4.205 1.00 0.00 C ATOM 1878 CD LYS A 114 -2.788 18.479 -3.328 1.00 0.00 C ATOM 1879 CE LYS A 114 -2.041 18.784 -2.021 1.00 0.00 C ATOM 1880 NZ LYS A 114 -0.720 19.396 -2.289 1.00 0.00 N ATOM 0 H LYS A 114 -3.587 17.208 -8.175 1.00 0.00 H new ATOM 0 HA LYS A 114 -3.132 19.184 -6.011 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -3.849 16.832 -5.287 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -2.350 16.257 -5.990 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -1.989 16.500 -3.635 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -1.080 17.767 -4.434 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -2.895 19.401 -3.899 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -3.794 18.133 -3.090 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -2.639 19.457 -1.406 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -1.910 17.864 -1.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -0.555 20.174 -1.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 0.024 18.679 -2.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -0.700 19.766 -3.261 1.00 0.00 H new ATOM 1894 N VAL A 115 -0.872 19.674 -6.960 1.00 0.00 N ATOM 1895 CA VAL A 115 0.412 20.092 -7.529 1.00 0.00 C ATOM 1896 C VAL A 115 1.620 19.788 -6.645 1.00 0.00 C ATOM 1897 O VAL A 115 2.716 19.603 -7.169 1.00 0.00 O ATOM 1898 CB VAL A 115 0.420 21.579 -7.927 1.00 0.00 C ATOM 1899 CG1 VAL A 115 -0.491 21.769 -9.158 1.00 0.00 C ATOM 1900 CG2 VAL A 115 -0.030 22.491 -6.764 1.00 0.00 C ATOM 0 H VAL A 115 -1.263 20.372 -6.327 1.00 0.00 H new ATOM 0 HA VAL A 115 0.514 19.482 -8.426 1.00 0.00 H new ATOM 0 HB VAL A 115 1.441 21.870 -8.173 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -0.494 22.819 -9.450 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -0.117 21.164 -9.984 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -1.506 21.458 -8.911 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -0.009 23.531 -7.089 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -1.043 22.224 -6.464 1.00 0.00 H new ATOM 0 HG23 VAL A 115 0.645 22.362 -5.918 1.00 0.00 H new ATOM 1910 N TRP A 116 1.453 19.766 -5.285 1.00 0.00 N ATOM 1911 CA TRP A 116 2.474 19.506 -4.252 1.00 0.00 C ATOM 1912 C TRP A 116 3.590 20.558 -4.162 1.00 0.00 C ATOM 1913 O TRP A 116 4.759 20.226 -3.985 1.00 0.00 O ATOM 1914 CB TRP A 116 3.103 18.083 -4.380 1.00 0.00 C ATOM 1915 CG TRP A 116 2.096 16.955 -4.325 1.00 0.00 C ATOM 1916 CD1 TRP A 116 1.587 16.191 -5.335 1.00 0.00 C ATOM 1917 CD2 TRP A 116 1.488 16.485 -3.110 1.00 0.00 C ATOM 1918 NE1 TRP A 116 0.712 15.262 -4.822 1.00 0.00 N ATOM 1919 CE2 TRP A 116 0.638 15.438 -3.459 1.00 0.00 C ATOM 1920 CE3 TRP A 116 1.632 16.891 -1.810 1.00 0.00 C ATOM 1921 CZ2 TRP A 116 -0.093 14.782 -2.514 1.00 0.00 C ATOM 1922 CZ3 TRP A 116 0.876 16.238 -0.859 1.00 0.00 C ATOM 1923 CH2 TRP A 116 0.025 15.205 -1.206 1.00 0.00 C ATOM 0 H TRP A 116 0.538 19.942 -4.869 1.00 0.00 H new ATOM 0 HA TRP A 116 1.911 19.571 -3.321 1.00 0.00 H new ATOM 0 HB2 TRP A 116 3.649 18.022 -5.321 1.00 0.00 H new ATOM 0 HB3 TRP A 116 3.830 17.946 -3.580 1.00 0.00 H new ATOM 0 HD1 TRP A 116 1.834 16.300 -6.381 1.00 0.00 H new ATOM 0 HE1 TRP A 116 0.204 14.561 -5.361 1.00 0.00 H new ATOM 0 HE3 TRP A 116 2.309 17.689 -1.541 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -0.742 13.960 -2.780 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 0.950 16.539 0.176 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -0.559 14.720 -0.438 1.00 0.00 H new ATOM 1934 N GLN A 117 3.237 21.861 -4.390 1.00 0.00 N ATOM 1935 CA GLN A 117 4.096 23.046 -4.548 1.00 0.00 C ATOM 1936 C GLN A 117 4.587 23.127 -5.995 1.00 0.00 C ATOM 1937 O GLN A 117 4.370 24.105 -6.706 1.00 0.00 O ATOM 1938 CB GLN A 117 5.262 23.192 -3.518 1.00 0.00 C ATOM 1939 CG GLN A 117 5.990 24.559 -3.563 1.00 0.00 C ATOM 1940 CD GLN A 117 7.051 24.680 -2.464 1.00 0.00 C ATOM 1941 OE1 GLN A 117 6.911 25.444 -1.509 1.00 0.00 O ATOM 1942 NE2 GLN A 117 8.157 23.906 -2.612 1.00 0.00 N ATOM 0 H GLN A 117 2.253 22.115 -4.473 1.00 0.00 H new ATOM 0 HA GLN A 117 3.466 23.904 -4.315 1.00 0.00 H new ATOM 0 HB2 GLN A 117 4.865 23.039 -2.514 1.00 0.00 H new ATOM 0 HB3 GLN A 117 5.990 22.401 -3.697 1.00 0.00 H new ATOM 0 HG2 GLN A 117 6.461 24.687 -4.538 1.00 0.00 H new ATOM 0 HG3 GLN A 117 5.261 25.362 -3.453 1.00 0.00 H new ATOM 0 HE21 GLN A 117 8.240 23.284 -3.416 1.00 0.00 H new ATOM 0 HE22 GLN A 117 8.904 23.947 -1.919 1.00 0.00 H new ATOM 1951 N GLY A 118 5.218 22.014 -6.430 1.00 0.00 N ATOM 1952 CA GLY A 118 5.674 21.713 -7.767 1.00 0.00 C ATOM 1953 C GLY A 118 6.221 20.315 -7.695 1.00 0.00 C ATOM 1954 O GLY A 118 6.582 19.830 -6.623 1.00 0.00 O ATOM 0 H GLY A 118 5.430 21.252 -5.786 1.00 0.00 H new ATOM 0 HA2 GLY A 118 4.857 21.779 -8.485 1.00 0.00 H new ATOM 0 HA3 GLY A 118 6.440 22.419 -8.090 1.00 0.00 H new ATOM 1958 N GLN A 119 6.351 19.628 -8.854 1.00 0.00 N ATOM 1959 CA GLN A 119 6.862 18.264 -9.036 1.00 0.00 C ATOM 1960 C GLN A 119 8.391 18.217 -9.210 1.00 0.00 C ATOM 1961 O GLN A 119 8.926 17.615 -10.144 1.00 0.00 O ATOM 1962 CB GLN A 119 6.184 17.665 -10.302 1.00 0.00 C ATOM 1963 CG GLN A 119 6.288 18.606 -11.534 1.00 0.00 C ATOM 1964 CD GLN A 119 5.951 17.972 -12.884 1.00 0.00 C ATOM 1965 OE1 GLN A 119 5.764 16.634 -12.970 1.00 0.00 O flip ATOM 1966 NE2 GLN A 119 5.870 18.709 -13.871 1.00 0.00 N flip ATOM 0 H GLN A 119 6.081 20.048 -9.743 1.00 0.00 H new ATOM 0 HA GLN A 119 6.628 17.690 -8.139 1.00 0.00 H new ATOM 0 HB2 GLN A 119 6.648 16.708 -10.540 1.00 0.00 H new ATOM 0 HB3 GLN A 119 5.134 17.466 -10.088 1.00 0.00 H new ATOM 0 HG2 GLN A 119 5.623 19.455 -11.376 1.00 0.00 H new ATOM 0 HG3 GLN A 119 7.303 19.000 -11.582 1.00 0.00 H new ATOM 0 HE21 GLN A 119 6.017 19.713 -13.771 1.00 0.00 H new ATOM 0 HE22 GLN A 119 5.656 18.314 -14.787 1.00 0.00 H new ATOM 1975 N ALA A 120 9.103 18.939 -8.305 1.00 0.00 N ATOM 1976 CA ALA A 120 10.540 19.218 -8.321 1.00 0.00 C ATOM 1977 C ALA A 120 10.860 20.309 -9.360 1.00 0.00 C ATOM 1978 O ALA A 120 11.758 20.191 -10.194 1.00 0.00 O ATOM 1979 CB ALA A 120 11.432 17.958 -8.443 1.00 0.00 C ATOM 0 H ALA A 120 8.647 19.364 -7.498 1.00 0.00 H new ATOM 0 HA ALA A 120 10.802 19.610 -7.338 1.00 0.00 H new ATOM 0 HB1 ALA A 120 12.481 18.254 -8.447 1.00 0.00 H new ATOM 0 HB2 ALA A 120 11.245 17.297 -7.597 1.00 0.00 H new ATOM 0 HB3 ALA A 120 11.199 17.435 -9.371 1.00 0.00 H new ATOM 1985 N PHE A 121 10.032 21.400 -9.315 1.00 0.00 N ATOM 1986 CA PHE A 121 10.013 22.569 -10.199 1.00 0.00 C ATOM 1987 C PHE A 121 9.399 22.224 -11.557 1.00 0.00 C ATOM 1988 O PHE A 121 8.179 22.081 -11.663 1.00 0.00 O ATOM 1989 CB PHE A 121 11.363 23.356 -10.286 1.00 0.00 C ATOM 1990 CG PHE A 121 11.715 23.898 -8.921 1.00 0.00 C ATOM 1991 CD1 PHE A 121 10.995 24.955 -8.392 1.00 0.00 C ATOM 1992 CD2 PHE A 121 12.742 23.354 -8.166 1.00 0.00 C ATOM 1993 CE1 PHE A 121 11.284 25.452 -7.137 1.00 0.00 C ATOM 1994 CE2 PHE A 121 13.032 23.846 -6.907 1.00 0.00 C ATOM 1995 CZ PHE A 121 12.302 24.898 -6.390 1.00 0.00 C ATOM 0 H PHE A 121 9.312 21.471 -8.596 1.00 0.00 H new ATOM 0 HA PHE A 121 9.352 23.294 -9.725 1.00 0.00 H new ATOM 0 HB2 PHE A 121 12.156 22.701 -10.645 1.00 0.00 H new ATOM 0 HB3 PHE A 121 11.275 24.173 -11.002 1.00 0.00 H new ATOM 0 HD1 PHE A 121 10.196 25.397 -8.969 1.00 0.00 H new ATOM 0 HD2 PHE A 121 13.323 22.536 -8.566 1.00 0.00 H new ATOM 0 HE1 PHE A 121 10.711 26.277 -6.739 1.00 0.00 H new ATOM 0 HE2 PHE A 121 13.830 23.407 -6.327 1.00 0.00 H new ATOM 0 HZ PHE A 121 12.527 25.284 -5.407 1.00 0.00 H new ATOM 2005 N HIS A 122 10.261 22.041 -12.597 1.00 0.00 N ATOM 2006 CA HIS A 122 9.893 21.626 -13.951 1.00 0.00 C ATOM 2007 C HIS A 122 10.103 20.128 -14.184 1.00 0.00 C ATOM 2008 O HIS A 122 9.654 19.591 -15.194 1.00 0.00 O ATOM 2009 CB HIS A 122 10.688 22.435 -15.030 1.00 0.00 C ATOM 2010 CG HIS A 122 12.204 22.292 -15.050 1.00 0.00 C ATOM 2011 ND1 HIS A 122 12.876 21.149 -15.433 1.00 0.00 N ATOM 2012 CD2 HIS A 122 13.178 23.208 -14.781 1.00 0.00 C ATOM 2013 CE1 HIS A 122 14.202 21.421 -15.375 1.00 0.00 C ATOM 2014 NE2 HIS A 122 14.434 22.656 -14.981 1.00 0.00 N ATOM 0 H HIS A 122 11.265 22.188 -12.495 1.00 0.00 H new ATOM 0 HA HIS A 122 8.828 21.838 -14.051 1.00 0.00 H new ATOM 0 HB2 HIS A 122 10.311 22.145 -16.011 1.00 0.00 H new ATOM 0 HB3 HIS A 122 10.453 23.491 -14.897 1.00 0.00 H new ATOM 0 HD1 HIS A 122 12.453 20.263 -15.709 1.00 0.00 H new ATOM 0 HD2 HIS A 122 12.996 24.222 -14.457 1.00 0.00 H new ATOM 0 HE1 HIS A 122 14.976 20.710 -15.622 1.00 0.00 H new ATOM 2022 N LEU A 123 10.874 19.470 -13.261 1.00 0.00 N ATOM 2023 CA LEU A 123 11.346 18.080 -13.267 1.00 0.00 C ATOM 2024 C LEU A 123 12.598 17.938 -14.141 1.00 0.00 C ATOM 2025 O LEU A 123 12.623 18.292 -15.320 1.00 0.00 O ATOM 2026 CB LEU A 123 10.244 17.007 -13.525 1.00 0.00 C ATOM 2027 CG LEU A 123 10.498 15.588 -12.944 1.00 0.00 C ATOM 2028 CD1 LEU A 123 9.145 14.886 -12.723 1.00 0.00 C ATOM 2029 CD2 LEU A 123 11.414 14.673 -13.786 1.00 0.00 C ATOM 0 H LEU A 123 11.200 19.959 -12.427 1.00 0.00 H new ATOM 0 HA LEU A 123 11.642 17.847 -12.244 1.00 0.00 H new ATOM 0 HB2 LEU A 123 9.305 17.379 -13.115 1.00 0.00 H new ATOM 0 HB3 LEU A 123 10.106 16.913 -14.602 1.00 0.00 H new ATOM 0 HG LEU A 123 11.038 15.751 -12.011 1.00 0.00 H new ATOM 0 HD11 LEU A 123 9.314 13.889 -12.315 1.00 0.00 H new ATOM 0 HD12 LEU A 123 8.544 15.467 -12.023 1.00 0.00 H new ATOM 0 HD13 LEU A 123 8.618 14.804 -13.674 1.00 0.00 H new ATOM 0 HD21 LEU A 123 11.523 13.709 -13.288 1.00 0.00 H new ATOM 0 HD22 LEU A 123 10.973 14.524 -14.772 1.00 0.00 H new ATOM 0 HD23 LEU A 123 12.394 15.138 -13.893 1.00 0.00 H new ATOM 2041 N ASP A 124 13.727 17.448 -13.570 1.00 0.00 N ATOM 2042 CA ASP A 124 15.014 17.340 -14.262 1.00 0.00 C ATOM 2043 C ASP A 124 15.286 15.922 -14.765 1.00 0.00 C ATOM 2044 O ASP A 124 15.114 14.941 -14.044 1.00 0.00 O ATOM 2045 CB ASP A 124 16.165 17.835 -13.327 1.00 0.00 C ATOM 2046 CG ASP A 124 17.474 18.134 -14.075 1.00 0.00 C ATOM 2047 OD1 ASP A 124 17.454 19.019 -14.971 1.00 0.00 O ATOM 2048 OD2 ASP A 124 18.503 17.479 -13.757 1.00 0.00 O ATOM 0 H ASP A 124 13.758 17.116 -12.606 1.00 0.00 H new ATOM 0 HA ASP A 124 14.971 17.979 -15.144 1.00 0.00 H new ATOM 0 HB2 ASP A 124 15.839 18.736 -12.807 1.00 0.00 H new ATOM 0 HB3 ASP A 124 16.355 17.079 -12.566 1.00 0.00 H new ATOM 2053 N ARG A 125 15.750 15.799 -16.033 1.00 0.00 N ATOM 2054 CA ARG A 125 16.111 14.565 -16.703 1.00 0.00 C ATOM 2055 C ARG A 125 17.231 14.933 -17.662 1.00 0.00 C ATOM 2056 O ARG A 125 17.320 16.090 -18.070 1.00 0.00 O ATOM 2057 CB ARG A 125 14.921 13.882 -17.455 1.00 0.00 C ATOM 2058 CG ARG A 125 14.312 14.599 -18.689 1.00 0.00 C ATOM 2059 CD ARG A 125 13.436 15.838 -18.421 1.00 0.00 C ATOM 2060 NE ARG A 125 12.174 15.408 -17.721 1.00 0.00 N ATOM 2061 CZ ARG A 125 11.063 16.204 -17.627 1.00 0.00 C ATOM 2062 NH1 ARG A 125 11.081 17.491 -18.081 1.00 0.00 N ATOM 2063 NH2 ARG A 125 9.922 15.703 -17.070 1.00 0.00 N ATOM 0 H ARG A 125 15.883 16.614 -16.632 1.00 0.00 H new ATOM 0 HA ARG A 125 16.419 13.822 -15.968 1.00 0.00 H new ATOM 0 HB2 ARG A 125 15.255 12.896 -17.777 1.00 0.00 H new ATOM 0 HB3 ARG A 125 14.119 13.727 -16.733 1.00 0.00 H new ATOM 0 HG2 ARG A 125 15.130 14.899 -19.344 1.00 0.00 H new ATOM 0 HG3 ARG A 125 13.713 13.874 -19.240 1.00 0.00 H new ATOM 0 HD2 ARG A 125 13.979 16.557 -17.808 1.00 0.00 H new ATOM 0 HD3 ARG A 125 13.194 16.337 -19.359 1.00 0.00 H new ATOM 0 HE ARG A 125 12.145 14.481 -17.297 1.00 0.00 H new ATOM 0 HH11 ARG A 125 11.930 17.873 -18.498 1.00 0.00 H new ATOM 0 HH12 ARG A 125 10.245 18.071 -18.004 1.00 0.00 H new ATOM 0 HH21 ARG A 125 9.901 14.742 -16.727 1.00 0.00 H new ATOM 0 HH22 ARG A 125 9.091 16.289 -16.996 1.00 0.00 H new ATOM 2077 N ARG A 126 18.108 13.966 -18.046 1.00 0.00 N ATOM 2078 CA ARG A 126 19.247 14.177 -18.942 1.00 0.00 C ATOM 2079 C ARG A 126 18.980 13.780 -20.390 1.00 0.00 C ATOM 2080 O ARG A 126 19.754 14.102 -21.291 1.00 0.00 O ATOM 2081 CB ARG A 126 20.497 13.406 -18.433 1.00 0.00 C ATOM 2082 CG ARG A 126 20.346 11.874 -18.314 1.00 0.00 C ATOM 2083 CD ARG A 126 21.621 11.180 -17.800 1.00 0.00 C ATOM 2084 NE ARG A 126 22.716 11.322 -18.830 1.00 0.00 N ATOM 2085 CZ ARG A 126 23.022 10.369 -19.764 1.00 0.00 C ATOM 2086 NH1 ARG A 126 22.386 9.161 -19.776 1.00 0.00 N ATOM 2087 NH2 ARG A 126 23.979 10.632 -20.702 1.00 0.00 N ATOM 0 H ARG A 126 18.029 13.001 -17.726 1.00 0.00 H new ATOM 0 HA ARG A 126 19.425 15.252 -18.930 1.00 0.00 H new ATOM 0 HB2 ARG A 126 21.328 13.618 -19.105 1.00 0.00 H new ATOM 0 HB3 ARG A 126 20.769 13.801 -17.454 1.00 0.00 H new ATOM 0 HG2 ARG A 126 19.519 11.648 -17.641 1.00 0.00 H new ATOM 0 HG3 ARG A 126 20.084 11.464 -19.289 1.00 0.00 H new ATOM 0 HD2 ARG A 126 21.935 11.624 -16.855 1.00 0.00 H new ATOM 0 HD3 ARG A 126 21.422 10.126 -17.607 1.00 0.00 H new ATOM 0 HE ARG A 126 23.263 12.183 -18.830 1.00 0.00 H new ATOM 0 HH11 ARG A 126 21.669 8.955 -19.081 1.00 0.00 H new ATOM 0 HH12 ARG A 126 22.628 8.464 -20.480 1.00 0.00 H new ATOM 0 HH21 ARG A 126 24.459 11.532 -20.703 1.00 0.00 H new ATOM 0 HH22 ARG A 126 24.214 9.928 -21.402 1.00 0.00 H new ATOM 2101 N LEU A 127 17.879 13.015 -20.637 1.00 0.00 N ATOM 2102 CA LEU A 127 17.404 12.469 -21.912 1.00 0.00 C ATOM 2103 C LEU A 127 18.286 11.419 -22.597 1.00 0.00 C ATOM 2104 O LEU A 127 17.804 10.362 -22.991 1.00 0.00 O ATOM 2105 CB LEU A 127 16.979 13.551 -22.950 1.00 0.00 C ATOM 2106 CG LEU A 127 15.833 14.478 -22.493 1.00 0.00 C ATOM 2107 CD1 LEU A 127 15.666 15.617 -23.504 1.00 0.00 C ATOM 2108 CD2 LEU A 127 14.492 13.742 -22.330 1.00 0.00 C ATOM 0 H LEU A 127 17.257 12.750 -19.873 1.00 0.00 H new ATOM 0 HA LEU A 127 16.520 11.931 -21.569 1.00 0.00 H new ATOM 0 HB2 LEU A 127 17.848 14.164 -23.190 1.00 0.00 H new ATOM 0 HB3 LEU A 127 16.677 13.051 -23.870 1.00 0.00 H new ATOM 0 HG LEU A 127 16.108 14.865 -21.512 1.00 0.00 H new ATOM 0 HD11 LEU A 127 14.857 16.273 -23.183 1.00 0.00 H new ATOM 0 HD12 LEU A 127 16.593 16.187 -23.566 1.00 0.00 H new ATOM 0 HD13 LEU A 127 15.429 15.202 -24.484 1.00 0.00 H new ATOM 0 HD21 LEU A 127 13.727 14.448 -22.007 1.00 0.00 H new ATOM 0 HD22 LEU A 127 14.200 13.302 -23.283 1.00 0.00 H new ATOM 0 HD23 LEU A 127 14.598 12.955 -21.584 1.00 0.00 H new ATOM 2120 N GLU A 128 19.591 11.741 -22.823 1.00 0.00 N ATOM 2121 CA GLU A 128 20.626 10.974 -23.523 1.00 0.00 C ATOM 2122 C GLU A 128 20.546 11.138 -25.040 1.00 0.00 C ATOM 2123 O GLU A 128 21.517 11.510 -25.693 1.00 0.00 O ATOM 2124 CB GLU A 128 20.730 9.479 -23.093 1.00 0.00 C ATOM 2125 CG GLU A 128 22.009 8.764 -23.570 1.00 0.00 C ATOM 2126 CD GLU A 128 22.057 7.350 -22.991 1.00 0.00 C ATOM 2127 OE1 GLU A 128 21.132 6.552 -23.299 1.00 0.00 O ATOM 2128 OE2 GLU A 128 23.019 7.049 -22.235 1.00 0.00 O ATOM 0 H GLU A 128 19.964 12.627 -22.483 1.00 0.00 H new ATOM 0 HA GLU A 128 21.566 11.420 -23.197 1.00 0.00 H new ATOM 0 HB2 GLU A 128 20.682 9.423 -22.006 1.00 0.00 H new ATOM 0 HB3 GLU A 128 19.863 8.942 -23.479 1.00 0.00 H new ATOM 0 HG2 GLU A 128 22.029 8.722 -24.659 1.00 0.00 H new ATOM 0 HG3 GLU A 128 22.889 9.325 -23.257 1.00 0.00 H new ATOM 2135 N ARG A 129 19.344 10.863 -25.609 1.00 0.00 N ATOM 2136 CA ARG A 129 18.947 10.980 -27.006 1.00 0.00 C ATOM 2137 C ARG A 129 18.225 12.331 -27.176 1.00 0.00 C ATOM 2138 O ARG A 129 17.200 12.521 -26.512 1.00 0.00 O ATOM 2139 CB ARG A 129 18.001 9.797 -27.356 1.00 0.00 C ATOM 2140 CG ARG A 129 17.477 9.727 -28.806 1.00 0.00 C ATOM 2141 CD ARG A 129 18.563 9.457 -29.862 1.00 0.00 C ATOM 2142 NE ARG A 129 17.925 9.377 -31.226 1.00 0.00 N ATOM 2143 CZ ARG A 129 17.601 10.468 -31.990 1.00 0.00 C ATOM 2144 NH1 ARG A 129 17.874 11.736 -31.567 1.00 0.00 N ATOM 2145 NH2 ARG A 129 16.993 10.280 -33.198 1.00 0.00 N ATOM 0 H ARG A 129 18.570 10.525 -25.037 1.00 0.00 H new ATOM 0 HA ARG A 129 19.808 10.942 -27.673 1.00 0.00 H new ATOM 0 HB2 ARG A 129 18.527 8.867 -27.140 1.00 0.00 H new ATOM 0 HB3 ARG A 129 17.142 9.840 -26.687 1.00 0.00 H new ATOM 0 HG2 ARG A 129 16.723 8.943 -28.869 1.00 0.00 H new ATOM 0 HG3 ARG A 129 16.980 10.667 -29.046 1.00 0.00 H new ATOM 0 HD2 ARG A 129 19.310 10.251 -29.843 1.00 0.00 H new ATOM 0 HD3 ARG A 129 19.082 8.526 -29.636 1.00 0.00 H new ATOM 0 HE ARG A 129 17.722 8.452 -31.604 1.00 0.00 H new ATOM 0 HH11 ARG A 129 18.328 11.886 -30.666 1.00 0.00 H new ATOM 0 HH12 ARG A 129 17.624 12.534 -32.152 1.00 0.00 H new ATOM 0 HH21 ARG A 129 16.785 9.336 -33.523 1.00 0.00 H new ATOM 0 HH22 ARG A 129 16.747 11.084 -33.776 1.00 0.00 H new ATOM 2159 N PRO A 130 18.660 13.303 -28.019 1.00 0.00 N ATOM 2160 CA PRO A 130 18.159 14.684 -28.023 1.00 0.00 C ATOM 2161 C PRO A 130 16.721 14.881 -28.514 1.00 0.00 C ATOM 2162 O PRO A 130 16.427 14.747 -29.698 1.00 0.00 O ATOM 2163 CB PRO A 130 19.200 15.461 -28.856 1.00 0.00 C ATOM 2164 CG PRO A 130 19.849 14.403 -29.747 1.00 0.00 C ATOM 2165 CD PRO A 130 19.859 13.170 -28.845 1.00 0.00 C ATOM 0 HA PRO A 130 18.067 15.051 -27.001 1.00 0.00 H new ATOM 0 HB2 PRO A 130 18.728 16.244 -29.450 1.00 0.00 H new ATOM 0 HB3 PRO A 130 19.937 15.947 -28.216 1.00 0.00 H new ATOM 0 HG2 PRO A 130 19.276 14.234 -30.659 1.00 0.00 H new ATOM 0 HG3 PRO A 130 20.855 14.691 -30.051 1.00 0.00 H new ATOM 0 HD2 PRO A 130 19.836 12.251 -29.431 1.00 0.00 H new ATOM 0 HD3 PRO A 130 20.760 13.135 -28.232 1.00 0.00 H new ATOM 2173 N HIS A 131 15.843 15.239 -27.548 1.00 0.00 N ATOM 2174 CA HIS A 131 14.437 15.566 -27.672 1.00 0.00 C ATOM 2175 C HIS A 131 14.312 16.858 -26.885 1.00 0.00 C ATOM 2176 O HIS A 131 13.577 16.962 -25.906 1.00 0.00 O ATOM 2177 CB HIS A 131 13.510 14.470 -27.068 1.00 0.00 C ATOM 2178 CG HIS A 131 13.551 13.156 -27.801 1.00 0.00 C ATOM 2179 ND1 HIS A 131 14.560 12.225 -27.679 1.00 0.00 N ATOM 2180 CD2 HIS A 131 12.660 12.619 -28.681 1.00 0.00 C ATOM 2181 CE1 HIS A 131 14.232 11.184 -28.483 1.00 0.00 C ATOM 2182 NE2 HIS A 131 13.092 11.377 -29.111 1.00 0.00 N ATOM 0 H HIS A 131 16.149 15.307 -26.577 1.00 0.00 H new ATOM 0 HA HIS A 131 14.129 15.648 -28.714 1.00 0.00 H new ATOM 0 HB2 HIS A 131 13.793 14.303 -26.029 1.00 0.00 H new ATOM 0 HB3 HIS A 131 12.484 14.839 -27.064 1.00 0.00 H new ATOM 0 HD1 HIS A 131 15.393 12.304 -27.096 1.00 0.00 H new ATOM 0 HD2 HIS A 131 11.745 13.096 -28.998 1.00 0.00 H new ATOM 0 HE1 HIS A 131 14.838 10.297 -28.595 1.00 0.00 H new ATOM 2190 N ARG A 132 15.109 17.882 -27.286 1.00 0.00 N ATOM 2191 CA ARG A 132 15.300 19.169 -26.622 1.00 0.00 C ATOM 2192 C ARG A 132 14.182 20.184 -26.861 1.00 0.00 C ATOM 2193 O ARG A 132 14.382 21.224 -27.481 1.00 0.00 O ATOM 2194 CB ARG A 132 16.682 19.773 -27.016 1.00 0.00 C ATOM 2195 CG ARG A 132 17.871 18.793 -26.887 1.00 0.00 C ATOM 2196 CD ARG A 132 18.117 18.259 -25.465 1.00 0.00 C ATOM 2197 NE ARG A 132 19.163 17.180 -25.542 1.00 0.00 N ATOM 2198 CZ ARG A 132 19.613 16.482 -24.452 1.00 0.00 C ATOM 2199 NH1 ARG A 132 19.233 16.832 -23.190 1.00 0.00 N ATOM 2200 NH2 ARG A 132 20.446 15.415 -24.635 1.00 0.00 N ATOM 0 H ARG A 132 15.665 17.812 -28.138 1.00 0.00 H new ATOM 0 HA ARG A 132 15.270 18.958 -25.553 1.00 0.00 H new ATOM 0 HB2 ARG A 132 16.629 20.127 -28.046 1.00 0.00 H new ATOM 0 HB3 ARG A 132 16.876 20.644 -26.389 1.00 0.00 H new ATOM 0 HG2 ARG A 132 17.700 17.947 -27.553 1.00 0.00 H new ATOM 0 HG3 ARG A 132 18.775 19.294 -27.233 1.00 0.00 H new ATOM 0 HD2 ARG A 132 18.449 19.064 -24.809 1.00 0.00 H new ATOM 0 HD3 ARG A 132 17.193 17.863 -25.042 1.00 0.00 H new ATOM 0 HE ARG A 132 19.559 16.956 -26.455 1.00 0.00 H new ATOM 0 HH11 ARG A 132 18.605 17.623 -23.047 1.00 0.00 H new ATOM 0 HH12 ARG A 132 19.576 16.303 -22.389 1.00 0.00 H new ATOM 0 HH21 ARG A 132 20.728 15.144 -25.577 1.00 0.00 H new ATOM 0 HH22 ARG A 132 20.786 14.889 -23.830 1.00 0.00 H new ATOM 2214 N ASP A 133 12.962 19.858 -26.351 1.00 0.00 N ATOM 2215 CA ASP A 133 11.714 20.621 -26.412 1.00 0.00 C ATOM 2216 C ASP A 133 11.042 20.574 -27.784 1.00 0.00 C ATOM 2217 O ASP A 133 9.824 20.427 -27.880 1.00 0.00 O ATOM 2218 CB ASP A 133 11.837 22.081 -25.849 1.00 0.00 C ATOM 2219 CG ASP A 133 10.490 22.691 -25.435 1.00 0.00 C ATOM 2220 OD1 ASP A 133 9.831 22.112 -24.529 1.00 0.00 O ATOM 2221 OD2 ASP A 133 10.110 23.743 -26.016 1.00 0.00 O ATOM 0 H ASP A 133 12.831 18.980 -25.848 1.00 0.00 H new ATOM 0 HA ASP A 133 11.040 20.102 -25.730 1.00 0.00 H new ATOM 0 HB2 ASP A 133 12.505 22.075 -24.988 1.00 0.00 H new ATOM 0 HB3 ASP A 133 12.298 22.716 -26.605 1.00 0.00 H new TER 2226 ASP A 133