USER MOD reduce.3.24.130724 H: found=0, std=0, add=893, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 895 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 82 TYR OH : rot -32:sc= -0.882! USER MOD Set 1.2: A 99 HIS : no HE2:sc= 0.184! C(o=-0.7!,f=-8.1!) USER MOD Single : A 8 ASN : amide:sc=-0.00081 K(o=-0.00081,f=-0.86) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 66:sc= 1.09 USER MOD Single : A 22 TYR OH : rot 58:sc= 0.898 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 72:sc= 0.643 USER MOD Single : A 46 ASN : amide:sc= -0.755 K(o=-0.76,f=-0.015) USER MOD Single : A 48 LYS NZ :NH3+ -168:sc= -0.0299 (180deg=-0.209) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.343 USER MOD Single : A 60 LYS NZ :NH3+ -164:sc= 2.24 (180deg=2.1) USER MOD Single : A 61 SER OG : rot -70:sc= 1.18 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -1.73! C(o=-1.7!,f=-6.8!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= 0.996 K(o=1,f=-0.45) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 TYR OH : rot 180:sc= -1.84! USER MOD Single : A 94 SER OG : rot -84:sc= 1.22 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 114 SER OG : rot 175:sc= 0 USER MOD Single : A 115 TYR OH : rot 180:sc= -0.0918 USER MOD Single : A 118 SER OG : rot 88:sc= 0.141 USER MOD Single : A 121 TYR OH : rot -156:sc= 0.831 USER MOD Single : A 122 THR OG1 : rot 66:sc= 1.53 USER MOD Single : A 123 ASN : amide:sc= 0.182 X(o=0.18,f=-0.013) USER MOD Single : A 124 SER OG : rot 75:sc= 0.295 USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N PRO A 2 -8.857 1.880 -12.275 1.00 0.00 N ATOM 21 CA PRO A 2 -8.315 2.215 -10.951 1.00 0.00 C ATOM 22 C PRO A 2 -9.112 3.322 -10.265 1.00 0.00 C ATOM 23 O PRO A 2 -9.301 4.406 -10.822 1.00 0.00 O ATOM 24 CB PRO A 2 -6.884 2.688 -11.244 1.00 0.00 C ATOM 25 CG PRO A 2 -6.855 2.973 -12.707 1.00 0.00 C ATOM 26 CD PRO A 2 -7.847 2.035 -13.330 1.00 0.00 C ATOM 0 HA PRO A 2 -8.359 1.364 -10.272 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -6.638 3.578 -10.665 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -6.155 1.923 -10.978 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -7.120 4.011 -12.908 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -5.857 2.814 -13.116 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -8.276 2.448 -14.243 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -7.390 1.082 -13.596 1.00 0.00 H new ATOM 34 N VAL A 3 -9.576 3.040 -9.058 1.00 0.00 N ATOM 35 CA VAL A 3 -10.388 3.988 -8.311 1.00 0.00 C ATOM 36 C VAL A 3 -9.508 5.026 -7.624 1.00 0.00 C ATOM 37 O VAL A 3 -8.606 4.684 -6.858 1.00 0.00 O ATOM 38 CB VAL A 3 -11.258 3.271 -7.255 1.00 0.00 C ATOM 39 CG1 VAL A 3 -12.197 4.253 -6.571 1.00 0.00 C ATOM 40 CG2 VAL A 3 -12.042 2.133 -7.891 1.00 0.00 C ATOM 0 H VAL A 3 -9.404 2.159 -8.573 1.00 0.00 H new ATOM 0 HA VAL A 3 -11.045 4.487 -9.023 1.00 0.00 H new ATOM 0 HB VAL A 3 -10.596 2.851 -6.497 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -12.800 3.725 -5.832 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -11.614 5.030 -6.076 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -12.851 4.708 -7.314 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -12.649 1.640 -7.131 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -12.690 2.530 -8.672 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -11.349 1.412 -8.326 1.00 0.00 H new ATOM 50 N GLU A 4 -9.764 6.289 -7.912 1.00 0.00 N ATOM 51 CA GLU A 4 -9.011 7.381 -7.311 1.00 0.00 C ATOM 52 C GLU A 4 -9.801 7.992 -6.164 1.00 0.00 C ATOM 53 O GLU A 4 -11.019 7.845 -6.096 1.00 0.00 O ATOM 54 CB GLU A 4 -8.722 8.472 -8.347 1.00 0.00 C ATOM 55 CG GLU A 4 -9.981 9.167 -8.843 1.00 0.00 C ATOM 56 CD GLU A 4 -9.701 10.429 -9.628 1.00 0.00 C ATOM 57 OE1 GLU A 4 -9.314 11.447 -9.016 1.00 0.00 O ATOM 58 OE2 GLU A 4 -9.907 10.424 -10.859 1.00 0.00 O ATOM 0 H GLU A 4 -10.491 6.588 -8.562 1.00 0.00 H new ATOM 0 HA GLU A 4 -8.069 6.977 -6.939 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -8.053 9.213 -7.910 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -8.199 8.031 -9.195 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -10.546 8.476 -9.469 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -10.612 9.412 -7.989 1.00 0.00 H new ATOM 65 N LEU A 5 -9.114 8.664 -5.262 1.00 0.00 N ATOM 66 CA LEU A 5 -9.783 9.468 -4.262 1.00 0.00 C ATOM 67 C LEU A 5 -9.445 10.931 -4.496 1.00 0.00 C ATOM 68 O LEU A 5 -8.352 11.393 -4.171 1.00 0.00 O ATOM 69 CB LEU A 5 -9.390 9.048 -2.845 1.00 0.00 C ATOM 70 CG LEU A 5 -10.134 9.795 -1.735 1.00 0.00 C ATOM 71 CD1 LEU A 5 -11.636 9.613 -1.885 1.00 0.00 C ATOM 72 CD2 LEU A 5 -9.681 9.319 -0.364 1.00 0.00 C ATOM 0 H LEU A 5 -8.096 8.669 -5.202 1.00 0.00 H new ATOM 0 HA LEU A 5 -10.858 9.317 -4.355 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -9.572 7.979 -2.732 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -8.319 9.204 -2.717 1.00 0.00 H new ATOM 0 HG LEU A 5 -9.899 10.856 -1.825 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -12.149 10.151 -1.088 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -11.955 10.005 -2.851 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -11.882 8.553 -1.824 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -10.224 9.864 0.408 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -9.882 8.252 -0.264 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -8.612 9.499 -0.251 1.00 0.00 H new ATOM 84 N ARG A 6 -10.370 11.639 -5.114 1.00 0.00 N ATOM 85 CA ARG A 6 -10.183 13.049 -5.398 1.00 0.00 C ATOM 86 C ARG A 6 -10.588 13.880 -4.191 1.00 0.00 C ATOM 87 O ARG A 6 -11.363 13.421 -3.353 1.00 0.00 O ATOM 88 CB ARG A 6 -10.984 13.443 -6.637 1.00 0.00 C ATOM 89 CG ARG A 6 -12.454 13.080 -6.558 1.00 0.00 C ATOM 90 CD ARG A 6 -13.134 13.239 -7.906 1.00 0.00 C ATOM 91 NE ARG A 6 -12.570 12.344 -8.919 1.00 0.00 N ATOM 92 CZ ARG A 6 -13.277 11.412 -9.563 1.00 0.00 C ATOM 93 NH1 ARG A 6 -14.559 11.232 -9.278 1.00 0.00 N ATOM 94 NH2 ARG A 6 -12.701 10.653 -10.486 1.00 0.00 N ATOM 0 H ARG A 6 -11.262 11.259 -5.430 1.00 0.00 H new ATOM 0 HA ARG A 6 -9.130 13.241 -5.602 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -10.893 14.518 -6.790 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -10.546 12.959 -7.510 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -12.559 12.051 -6.214 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -12.948 13.714 -5.822 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -14.200 13.038 -7.799 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -13.036 14.272 -8.241 1.00 0.00 H new ATOM 0 HE ARG A 6 -11.580 12.438 -9.146 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -15.008 11.806 -8.565 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -15.096 10.519 -9.772 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -11.713 10.780 -10.707 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -13.246 9.943 -10.975 1.00 0.00 H new ATOM 108 N ALA A 7 -10.065 15.096 -4.107 1.00 0.00 N ATOM 109 CA ALA A 7 -10.289 15.946 -2.945 1.00 0.00 C ATOM 110 C ALA A 7 -11.761 16.312 -2.810 1.00 0.00 C ATOM 111 O ALA A 7 -12.273 16.470 -1.700 1.00 0.00 O ATOM 112 CB ALA A 7 -9.431 17.196 -3.028 1.00 0.00 C ATOM 0 H ALA A 7 -9.482 15.516 -4.831 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.000 15.386 -2.055 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.611 17.820 -2.152 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.379 16.913 -3.062 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -9.687 17.754 -3.929 1.00 0.00 H new ATOM 118 N ASN A 8 -12.436 16.453 -3.940 1.00 0.00 N ATOM 119 CA ASN A 8 -13.875 16.649 -3.936 1.00 0.00 C ATOM 120 C ASN A 8 -14.559 15.357 -4.349 1.00 0.00 C ATOM 121 O ASN A 8 -14.813 15.117 -5.530 1.00 0.00 O ATOM 122 CB ASN A 8 -14.296 17.785 -4.872 1.00 0.00 C ATOM 123 CG ASN A 8 -15.773 18.110 -4.748 1.00 0.00 C ATOM 124 OD1 ASN A 8 -16.367 17.959 -3.681 1.00 0.00 O ATOM 125 ND2 ASN A 8 -16.383 18.541 -5.841 1.00 0.00 N ATOM 0 H ASN A 8 -12.012 16.435 -4.867 1.00 0.00 H new ATOM 0 HA ASN A 8 -14.178 16.926 -2.926 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -13.709 18.676 -4.647 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -14.072 17.507 -5.902 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -17.379 18.760 -5.816 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -15.857 18.654 -6.708 1.00 0.00 H new ATOM 132 N TRP A 9 -14.815 14.504 -3.378 1.00 0.00 N ATOM 133 CA TRP A 9 -15.416 13.206 -3.642 1.00 0.00 C ATOM 134 C TRP A 9 -16.891 13.191 -3.266 1.00 0.00 C ATOM 135 O TRP A 9 -17.382 14.084 -2.574 1.00 0.00 O ATOM 136 CB TRP A 9 -14.670 12.110 -2.870 1.00 0.00 C ATOM 137 CG TRP A 9 -14.363 12.477 -1.446 1.00 0.00 C ATOM 138 CD1 TRP A 9 -13.176 12.947 -0.967 1.00 0.00 C ATOM 139 CD2 TRP A 9 -15.249 12.413 -0.320 1.00 0.00 C ATOM 140 NE1 TRP A 9 -13.267 13.179 0.380 1.00 0.00 N ATOM 141 CE2 TRP A 9 -14.527 12.858 0.802 1.00 0.00 C ATOM 142 CE3 TRP A 9 -16.582 12.025 -0.147 1.00 0.00 C ATOM 143 CZ2 TRP A 9 -15.088 12.926 2.072 1.00 0.00 C ATOM 144 CZ3 TRP A 9 -17.138 12.091 1.116 1.00 0.00 C ATOM 145 CH2 TRP A 9 -16.392 12.540 2.211 1.00 0.00 C ATOM 0 H TRP A 9 -14.616 14.684 -2.394 1.00 0.00 H new ATOM 0 HA TRP A 9 -15.336 13.013 -4.712 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -15.269 11.199 -2.880 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -13.737 11.884 -3.387 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -12.291 13.113 -1.564 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -12.516 13.534 0.972 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -17.167 11.680 -0.987 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -14.514 13.272 2.919 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -18.165 11.791 1.260 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -16.856 12.583 3.186 1.00 0.00 H new ATOM 156 N SER A 10 -17.595 12.188 -3.757 1.00 0.00 N ATOM 157 CA SER A 10 -18.955 11.922 -3.333 1.00 0.00 C ATOM 158 C SER A 10 -18.931 10.749 -2.360 1.00 0.00 C ATOM 159 O SER A 10 -18.003 9.946 -2.402 1.00 0.00 O ATOM 160 CB SER A 10 -19.832 11.609 -4.547 1.00 0.00 C ATOM 161 OG SER A 10 -19.736 12.641 -5.516 1.00 0.00 O ATOM 0 H SER A 10 -17.241 11.538 -4.458 1.00 0.00 H new ATOM 0 HA SER A 10 -19.377 12.797 -2.838 1.00 0.00 H new ATOM 0 HB2 SER A 10 -19.526 10.660 -4.988 1.00 0.00 H new ATOM 0 HB3 SER A 10 -20.869 11.494 -4.232 1.00 0.00 H new ATOM 0 HG SER A 10 -20.302 12.421 -6.285 1.00 0.00 H new ATOM 167 N GLU A 11 -19.923 10.655 -1.487 1.00 0.00 N ATOM 168 CA GLU A 11 -19.932 9.623 -0.452 1.00 0.00 C ATOM 169 C GLU A 11 -19.870 8.228 -1.073 1.00 0.00 C ATOM 170 O GLU A 11 -19.091 7.383 -0.635 1.00 0.00 O ATOM 171 CB GLU A 11 -21.172 9.771 0.425 1.00 0.00 C ATOM 172 CG GLU A 11 -21.196 8.837 1.623 1.00 0.00 C ATOM 173 CD GLU A 11 -22.286 9.202 2.605 1.00 0.00 C ATOM 174 OE1 GLU A 11 -22.028 10.041 3.492 1.00 0.00 O ATOM 175 OE2 GLU A 11 -23.415 8.681 2.477 1.00 0.00 O ATOM 0 H GLU A 11 -20.731 11.277 -1.472 1.00 0.00 H new ATOM 0 HA GLU A 11 -19.047 9.750 0.172 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -21.234 10.800 0.778 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -22.058 9.589 -0.183 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -21.344 7.813 1.281 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -20.230 8.868 2.126 1.00 0.00 H new ATOM 182 N GLU A 12 -20.669 8.008 -2.111 1.00 0.00 N ATOM 183 CA GLU A 12 -20.661 6.742 -2.839 1.00 0.00 C ATOM 184 C GLU A 12 -19.280 6.472 -3.432 1.00 0.00 C ATOM 185 O GLU A 12 -18.733 5.374 -3.302 1.00 0.00 O ATOM 186 CB GLU A 12 -21.701 6.776 -3.960 1.00 0.00 C ATOM 187 CG GLU A 12 -21.722 5.524 -4.821 1.00 0.00 C ATOM 188 CD GLU A 12 -22.547 5.703 -6.075 1.00 0.00 C ATOM 189 OE1 GLU A 12 -21.995 6.174 -7.089 1.00 0.00 O ATOM 190 OE2 GLU A 12 -23.756 5.388 -6.052 1.00 0.00 O ATOM 0 H GLU A 12 -21.334 8.693 -2.470 1.00 0.00 H new ATOM 0 HA GLU A 12 -20.907 5.943 -2.140 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -22.688 6.920 -3.521 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -21.506 7.639 -4.596 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -20.701 5.257 -5.095 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -22.123 4.693 -4.240 1.00 0.00 H new ATOM 197 N ASP A 13 -18.719 7.491 -4.068 1.00 0.00 N ATOM 198 CA ASP A 13 -17.423 7.374 -4.726 1.00 0.00 C ATOM 199 C ASP A 13 -16.331 7.086 -3.698 1.00 0.00 C ATOM 200 O ASP A 13 -15.425 6.289 -3.942 1.00 0.00 O ATOM 201 CB ASP A 13 -17.116 8.661 -5.496 1.00 0.00 C ATOM 202 CG ASP A 13 -15.999 8.493 -6.506 1.00 0.00 C ATOM 203 OD1 ASP A 13 -16.263 7.950 -7.604 1.00 0.00 O ATOM 204 OD2 ASP A 13 -14.865 8.922 -6.224 1.00 0.00 O ATOM 0 H ASP A 13 -19.144 8.415 -4.143 1.00 0.00 H new ATOM 0 HA ASP A 13 -17.453 6.543 -5.431 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -18.017 8.994 -6.011 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -16.845 9.445 -4.789 1.00 0.00 H new ATOM 209 N LEU A 14 -16.449 7.720 -2.534 1.00 0.00 N ATOM 210 CA LEU A 14 -15.529 7.496 -1.421 1.00 0.00 C ATOM 211 C LEU A 14 -15.570 6.041 -0.966 1.00 0.00 C ATOM 212 O LEU A 14 -14.532 5.405 -0.784 1.00 0.00 O ATOM 213 CB LEU A 14 -15.890 8.413 -0.248 1.00 0.00 C ATOM 214 CG LEU A 14 -15.119 8.153 1.049 1.00 0.00 C ATOM 215 CD1 LEU A 14 -13.657 8.542 0.900 1.00 0.00 C ATOM 216 CD2 LEU A 14 -15.762 8.895 2.209 1.00 0.00 C ATOM 0 H LEU A 14 -17.182 8.401 -2.336 1.00 0.00 H new ATOM 0 HA LEU A 14 -14.520 7.725 -1.763 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -15.720 9.446 -0.551 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -16.956 8.311 -0.044 1.00 0.00 H new ATOM 0 HG LEU A 14 -15.160 7.085 1.262 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -13.132 8.348 1.835 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -13.204 7.956 0.101 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -13.586 9.602 0.657 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -15.201 8.699 3.122 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -15.757 9.965 2.003 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -16.790 8.554 2.334 1.00 0.00 H new ATOM 228 N GLU A 15 -16.776 5.513 -0.789 1.00 0.00 N ATOM 229 CA GLU A 15 -16.942 4.134 -0.348 1.00 0.00 C ATOM 230 C GLU A 15 -16.437 3.170 -1.414 1.00 0.00 C ATOM 231 O GLU A 15 -15.985 2.071 -1.103 1.00 0.00 O ATOM 232 CB GLU A 15 -18.403 3.845 -0.013 1.00 0.00 C ATOM 233 CG GLU A 15 -18.972 4.781 1.035 1.00 0.00 C ATOM 234 CD GLU A 15 -20.299 4.307 1.574 1.00 0.00 C ATOM 235 OE1 GLU A 15 -21.211 4.024 0.767 1.00 0.00 O ATOM 236 OE2 GLU A 15 -20.428 4.186 2.809 1.00 0.00 O ATOM 0 H GLU A 15 -17.649 6.017 -0.943 1.00 0.00 H new ATOM 0 HA GLU A 15 -16.351 3.991 0.556 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -19.000 3.922 -0.922 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -18.492 2.818 0.340 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -18.262 4.875 1.857 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -19.093 5.774 0.603 1.00 0.00 H new ATOM 243 N THR A 16 -16.497 3.598 -2.668 1.00 0.00 N ATOM 244 CA THR A 16 -15.946 2.818 -3.762 1.00 0.00 C ATOM 245 C THR A 16 -14.435 2.652 -3.572 1.00 0.00 C ATOM 246 O THR A 16 -13.877 1.582 -3.821 1.00 0.00 O ATOM 247 CB THR A 16 -16.236 3.485 -5.121 1.00 0.00 C ATOM 248 OG1 THR A 16 -17.645 3.734 -5.260 1.00 0.00 O ATOM 249 CG2 THR A 16 -15.764 2.609 -6.272 1.00 0.00 C ATOM 0 H THR A 16 -16.922 4.481 -2.950 1.00 0.00 H new ATOM 0 HA THR A 16 -16.423 1.838 -3.757 1.00 0.00 H new ATOM 0 HB THR A 16 -15.692 4.429 -5.153 1.00 0.00 H new ATOM 0 HG1 THR A 16 -17.926 4.403 -4.601 1.00 0.00 H new ATOM 0 HG21 THR A 16 -15.981 3.104 -7.219 1.00 0.00 H new ATOM 0 HG22 THR A 16 -14.690 2.444 -6.187 1.00 0.00 H new ATOM 0 HG23 THR A 16 -16.282 1.651 -6.236 1.00 0.00 H new ATOM 257 N VAL A 17 -13.789 3.717 -3.102 1.00 0.00 N ATOM 258 CA VAL A 17 -12.361 3.693 -2.800 1.00 0.00 C ATOM 259 C VAL A 17 -12.081 2.742 -1.641 1.00 0.00 C ATOM 260 O VAL A 17 -11.230 1.855 -1.735 1.00 0.00 O ATOM 261 CB VAL A 17 -11.846 5.102 -2.426 1.00 0.00 C ATOM 262 CG1 VAL A 17 -10.350 5.086 -2.153 1.00 0.00 C ATOM 263 CG2 VAL A 17 -12.180 6.107 -3.516 1.00 0.00 C ATOM 0 H VAL A 17 -14.238 4.615 -2.921 1.00 0.00 H new ATOM 0 HA VAL A 17 -11.841 3.351 -3.695 1.00 0.00 H new ATOM 0 HB VAL A 17 -12.352 5.408 -1.510 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.017 6.091 -1.893 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -10.138 4.408 -1.326 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -9.821 4.748 -3.044 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -11.808 7.091 -3.230 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -11.711 5.799 -4.451 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -13.261 6.153 -3.650 1.00 0.00 H new ATOM 273 N ILE A 18 -12.823 2.930 -0.556 1.00 0.00 N ATOM 274 CA ILE A 18 -12.672 2.115 0.644 1.00 0.00 C ATOM 275 C ILE A 18 -12.886 0.634 0.333 1.00 0.00 C ATOM 276 O ILE A 18 -12.088 -0.218 0.732 1.00 0.00 O ATOM 277 CB ILE A 18 -13.670 2.555 1.739 1.00 0.00 C ATOM 278 CG1 ILE A 18 -13.478 4.039 2.066 1.00 0.00 C ATOM 279 CG2 ILE A 18 -13.503 1.706 2.991 1.00 0.00 C ATOM 280 CD1 ILE A 18 -14.508 4.591 3.030 1.00 0.00 C ATOM 0 H ILE A 18 -13.543 3.648 -0.483 1.00 0.00 H new ATOM 0 HA ILE A 18 -11.655 2.259 1.008 1.00 0.00 H new ATOM 0 HB ILE A 18 -14.683 2.410 1.362 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -12.484 4.182 2.490 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -13.516 4.613 1.140 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -14.215 2.032 3.749 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -13.686 0.659 2.748 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -12.489 1.818 3.374 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -14.306 5.646 3.213 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -15.504 4.481 2.601 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -14.456 4.043 3.971 1.00 0.00 H new ATOM 292 N ARG A 19 -13.954 0.343 -0.405 1.00 0.00 N ATOM 293 CA ARG A 19 -14.322 -1.031 -0.738 1.00 0.00 C ATOM 294 C ARG A 19 -13.310 -1.658 -1.698 1.00 0.00 C ATOM 295 O ARG A 19 -13.178 -2.882 -1.772 1.00 0.00 O ATOM 296 CB ARG A 19 -15.719 -1.056 -1.360 1.00 0.00 C ATOM 297 CG ARG A 19 -16.295 -2.451 -1.538 1.00 0.00 C ATOM 298 CD ARG A 19 -17.615 -2.410 -2.288 1.00 0.00 C ATOM 299 NE ARG A 19 -17.454 -1.895 -3.645 1.00 0.00 N ATOM 300 CZ ARG A 19 -18.463 -1.599 -4.461 1.00 0.00 C ATOM 301 NH1 ARG A 19 -19.718 -1.738 -4.058 1.00 0.00 N ATOM 302 NH2 ARG A 19 -18.211 -1.154 -5.685 1.00 0.00 N ATOM 0 H ARG A 19 -14.585 1.047 -0.787 1.00 0.00 H new ATOM 0 HA ARG A 19 -14.322 -1.617 0.181 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -16.394 -0.473 -0.734 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -15.681 -0.564 -2.332 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -15.584 -3.074 -2.081 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -16.443 -2.913 -0.562 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -18.041 -3.412 -2.328 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -18.323 -1.785 -1.744 1.00 0.00 H new ATOM 0 HE ARG A 19 -16.505 -1.753 -3.991 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -19.917 -2.074 -3.116 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -20.485 -1.509 -4.690 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -17.247 -1.040 -5.998 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -18.981 -0.926 -6.313 1.00 0.00 H new ATOM 316 N ALA A 20 -12.602 -0.817 -2.440 1.00 0.00 N ATOM 317 CA ALA A 20 -11.567 -1.298 -3.340 1.00 0.00 C ATOM 318 C ALA A 20 -10.348 -1.756 -2.546 1.00 0.00 C ATOM 319 O ALA A 20 -9.683 -2.723 -2.914 1.00 0.00 O ATOM 320 CB ALA A 20 -11.185 -0.220 -4.343 1.00 0.00 C ATOM 0 H ALA A 20 -12.726 0.195 -2.436 1.00 0.00 H new ATOM 0 HA ALA A 20 -11.957 -2.151 -3.895 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -10.409 -0.600 -5.008 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -12.061 0.058 -4.929 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -10.811 0.655 -3.812 1.00 0.00 H new ATOM 326 N VAL A 21 -10.079 -1.073 -1.440 1.00 0.00 N ATOM 327 CA VAL A 21 -8.949 -1.416 -0.589 1.00 0.00 C ATOM 328 C VAL A 21 -9.268 -2.648 0.259 1.00 0.00 C ATOM 329 O VAL A 21 -8.476 -3.590 0.324 1.00 0.00 O ATOM 330 CB VAL A 21 -8.556 -0.241 0.334 1.00 0.00 C ATOM 331 CG1 VAL A 21 -7.326 -0.590 1.162 1.00 0.00 C ATOM 332 CG2 VAL A 21 -8.313 1.023 -0.476 1.00 0.00 C ATOM 0 H VAL A 21 -10.629 -0.279 -1.112 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.106 -1.636 -1.244 1.00 0.00 H new ATOM 0 HB VAL A 21 -9.386 -0.057 1.016 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.068 0.252 1.804 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.538 -1.464 1.778 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.490 -0.809 0.497 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.038 1.837 0.194 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.506 0.850 -1.187 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.222 1.289 -1.016 1.00 0.00 H new ATOM 342 N TYR A 22 -10.433 -2.640 0.898 1.00 0.00 N ATOM 343 CA TYR A 22 -10.870 -3.771 1.714 1.00 0.00 C ATOM 344 C TYR A 22 -12.390 -3.743 1.847 1.00 0.00 C ATOM 345 O TYR A 22 -13.045 -2.978 1.147 1.00 0.00 O ATOM 346 CB TYR A 22 -10.193 -3.735 3.098 1.00 0.00 C ATOM 347 CG TYR A 22 -10.825 -2.786 4.100 1.00 0.00 C ATOM 348 CD1 TYR A 22 -10.929 -1.425 3.846 1.00 0.00 C ATOM 349 CD2 TYR A 22 -11.312 -3.265 5.312 1.00 0.00 C ATOM 350 CE1 TYR A 22 -11.505 -0.571 4.767 1.00 0.00 C ATOM 351 CE2 TYR A 22 -11.887 -2.417 6.236 1.00 0.00 C ATOM 352 CZ TYR A 22 -11.982 -1.071 5.961 1.00 0.00 C ATOM 353 OH TYR A 22 -12.560 -0.225 6.879 1.00 0.00 O ATOM 0 H TYR A 22 -11.093 -1.863 0.868 1.00 0.00 H new ATOM 0 HA TYR A 22 -10.576 -4.701 1.227 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -10.204 -4.741 3.517 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -9.147 -3.456 2.967 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -10.554 -1.028 2.914 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -11.239 -4.319 5.534 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -11.582 0.485 4.553 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -12.261 -2.807 7.171 1.00 0.00 H new ATOM 0 HH TYR A 22 -13.317 0.240 6.465 1.00 0.00 H new ATOM 586 N LEU A 37 -10.106 -1.436 11.879 1.00 0.00 N ATOM 587 CA LEU A 37 -9.714 -0.292 11.065 1.00 0.00 C ATOM 588 C LEU A 37 -10.871 0.689 10.901 1.00 0.00 C ATOM 589 O LEU A 37 -10.811 1.597 10.071 1.00 0.00 O ATOM 590 CB LEU A 37 -9.242 -0.772 9.692 1.00 0.00 C ATOM 591 CG LEU A 37 -8.046 -1.723 9.712 1.00 0.00 C ATOM 592 CD1 LEU A 37 -7.784 -2.274 8.322 1.00 0.00 C ATOM 593 CD2 LEU A 37 -6.813 -1.011 10.248 1.00 0.00 C ATOM 0 HA LEU A 37 -8.899 0.225 11.572 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -10.074 -1.270 9.193 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -8.984 0.099 9.089 1.00 0.00 H new ATOM 0 HG LEU A 37 -8.276 -2.558 10.374 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.929 -2.949 8.354 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -8.663 -2.817 7.974 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -7.572 -1.452 7.639 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.969 -1.701 10.256 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.579 -0.159 9.610 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.006 -0.662 11.262 1.00 0.00 H new ATOM 605 N VAL A 38 -11.910 0.520 11.709 1.00 0.00 N ATOM 606 CA VAL A 38 -13.107 1.346 11.598 1.00 0.00 C ATOM 607 C VAL A 38 -12.792 2.822 11.868 1.00 0.00 C ATOM 608 O VAL A 38 -13.286 3.705 11.169 1.00 0.00 O ATOM 609 CB VAL A 38 -14.233 0.855 12.543 1.00 0.00 C ATOM 610 CG1 VAL A 38 -13.786 0.874 13.998 1.00 0.00 C ATOM 611 CG2 VAL A 38 -15.494 1.687 12.356 1.00 0.00 C ATOM 0 H VAL A 38 -11.949 -0.181 12.449 1.00 0.00 H new ATOM 0 HA VAL A 38 -13.464 1.251 10.572 1.00 0.00 H new ATOM 0 HB VAL A 38 -14.459 -0.178 12.280 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -14.600 0.524 14.633 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -12.922 0.221 14.122 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -13.516 1.891 14.282 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -16.272 1.325 13.029 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -15.277 2.732 12.580 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -15.837 1.601 11.325 1.00 0.00 H new ATOM 621 N SER A 39 -11.940 3.083 12.853 1.00 0.00 N ATOM 622 CA SER A 39 -11.561 4.449 13.184 1.00 0.00 C ATOM 623 C SER A 39 -10.724 5.056 12.061 1.00 0.00 C ATOM 624 O SER A 39 -10.846 6.241 11.751 1.00 0.00 O ATOM 625 CB SER A 39 -10.795 4.478 14.507 1.00 0.00 C ATOM 626 OG SER A 39 -11.580 3.931 15.556 1.00 0.00 O ATOM 0 H SER A 39 -11.501 2.369 13.434 1.00 0.00 H new ATOM 0 HA SER A 39 -12.465 5.047 13.296 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.868 3.913 14.408 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.519 5.504 14.750 1.00 0.00 H new ATOM 0 HG SER A 39 -11.071 3.957 16.393 1.00 0.00 H new ATOM 632 N ALA A 40 -9.898 4.224 11.438 1.00 0.00 N ATOM 633 CA ALA A 40 -9.069 4.660 10.325 1.00 0.00 C ATOM 634 C ALA A 40 -9.941 5.022 9.129 1.00 0.00 C ATOM 635 O ALA A 40 -9.711 6.030 8.461 1.00 0.00 O ATOM 636 CB ALA A 40 -8.064 3.578 9.950 1.00 0.00 C ATOM 0 H ALA A 40 -9.786 3.241 11.687 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.515 5.547 10.631 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.453 3.922 9.116 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.423 3.365 10.805 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.596 2.672 9.660 1.00 0.00 H new ATOM 642 N GLU A 41 -10.958 4.203 8.884 1.00 0.00 N ATOM 643 CA GLU A 41 -11.902 4.453 7.803 1.00 0.00 C ATOM 644 C GLU A 41 -12.641 5.767 8.033 1.00 0.00 C ATOM 645 O GLU A 41 -12.787 6.577 7.116 1.00 0.00 O ATOM 646 CB GLU A 41 -12.908 3.309 7.696 1.00 0.00 C ATOM 647 CG GLU A 41 -13.905 3.488 6.562 1.00 0.00 C ATOM 648 CD GLU A 41 -15.016 2.466 6.597 1.00 0.00 C ATOM 649 OE1 GLU A 41 -14.802 1.337 6.127 1.00 0.00 O ATOM 650 OE2 GLU A 41 -16.113 2.796 7.096 1.00 0.00 O ATOM 0 H GLU A 41 -11.149 3.358 9.422 1.00 0.00 H new ATOM 0 HA GLU A 41 -11.341 4.520 6.871 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -12.369 2.373 7.552 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -13.451 3.223 8.637 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -14.335 4.488 6.616 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -13.381 3.417 5.609 1.00 0.00 H new ATOM 657 N SER A 42 -13.095 5.975 9.263 1.00 0.00 N ATOM 658 CA SER A 42 -13.796 7.199 9.621 1.00 0.00 C ATOM 659 C SER A 42 -12.903 8.418 9.389 1.00 0.00 C ATOM 660 O SER A 42 -13.364 9.438 8.885 1.00 0.00 O ATOM 661 CB SER A 42 -14.256 7.136 11.078 1.00 0.00 C ATOM 662 OG SER A 42 -15.095 6.013 11.298 1.00 0.00 O ATOM 0 H SER A 42 -12.989 5.310 10.029 1.00 0.00 H new ATOM 0 HA SER A 42 -14.675 7.297 8.983 1.00 0.00 H new ATOM 0 HB2 SER A 42 -13.388 7.080 11.735 1.00 0.00 H new ATOM 0 HB3 SER A 42 -14.791 8.050 11.334 1.00 0.00 H new ATOM 0 HG SER A 42 -14.559 5.193 11.268 1.00 0.00 H new ATOM 668 N LEU A 43 -11.622 8.295 9.722 1.00 0.00 N ATOM 669 CA LEU A 43 -10.670 9.383 9.510 1.00 0.00 C ATOM 670 C LEU A 43 -10.525 9.700 8.023 1.00 0.00 C ATOM 671 O LEU A 43 -10.334 10.857 7.643 1.00 0.00 O ATOM 672 CB LEU A 43 -9.305 9.037 10.105 1.00 0.00 C ATOM 673 CG LEU A 43 -9.273 8.912 11.630 1.00 0.00 C ATOM 674 CD1 LEU A 43 -7.876 8.545 12.106 1.00 0.00 C ATOM 675 CD2 LEU A 43 -9.737 10.207 12.281 1.00 0.00 C ATOM 0 H LEU A 43 -11.219 7.456 10.139 1.00 0.00 H new ATOM 0 HA LEU A 43 -11.059 10.266 10.018 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -8.965 8.096 9.672 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -8.590 9.803 9.804 1.00 0.00 H new ATOM 0 HG LEU A 43 -9.956 8.115 11.925 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.872 8.460 13.193 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.581 7.592 11.667 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.172 9.319 11.800 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.708 10.100 13.365 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -9.079 11.022 11.979 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.757 10.428 11.966 1.00 0.00 H new ATOM 687 N LEU A 44 -10.609 8.673 7.186 1.00 0.00 N ATOM 688 CA LEU A 44 -10.567 8.863 5.741 1.00 0.00 C ATOM 689 C LEU A 44 -11.867 9.500 5.266 1.00 0.00 C ATOM 690 O LEU A 44 -11.867 10.366 4.393 1.00 0.00 O ATOM 691 CB LEU A 44 -10.353 7.527 5.022 1.00 0.00 C ATOM 692 CG LEU A 44 -10.186 7.626 3.503 1.00 0.00 C ATOM 693 CD1 LEU A 44 -8.882 8.327 3.152 1.00 0.00 C ATOM 694 CD2 LEU A 44 -10.248 6.246 2.868 1.00 0.00 C ATOM 0 H LEU A 44 -10.706 7.702 7.482 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.731 9.521 5.504 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.468 7.046 5.439 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -11.201 6.877 5.237 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.008 8.220 3.104 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.782 8.388 2.068 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.885 9.332 3.573 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.044 7.764 3.563 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.127 6.336 1.788 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.449 5.624 3.271 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.212 5.787 3.088 1.00 0.00 H new ATOM 706 N ARG A 45 -12.971 9.070 5.866 1.00 0.00 N ATOM 707 CA ARG A 45 -14.291 9.598 5.542 1.00 0.00 C ATOM 708 C ARG A 45 -14.373 11.075 5.931 1.00 0.00 C ATOM 709 O ARG A 45 -15.018 11.873 5.253 1.00 0.00 O ATOM 710 CB ARG A 45 -15.367 8.766 6.264 1.00 0.00 C ATOM 711 CG ARG A 45 -16.780 8.919 5.709 1.00 0.00 C ATOM 712 CD ARG A 45 -17.448 10.195 6.185 1.00 0.00 C ATOM 713 NE ARG A 45 -18.782 10.370 5.609 1.00 0.00 N ATOM 714 CZ ARG A 45 -19.530 11.457 5.798 1.00 0.00 C ATOM 715 NH1 ARG A 45 -19.085 12.438 6.569 1.00 0.00 N ATOM 716 NH2 ARG A 45 -20.721 11.561 5.225 1.00 0.00 N ATOM 0 H ARG A 45 -12.977 8.349 6.587 1.00 0.00 H new ATOM 0 HA ARG A 45 -14.465 9.526 4.468 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -15.085 7.714 6.215 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -15.374 9.045 7.318 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -16.743 8.915 4.620 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -17.382 8.062 6.011 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -17.523 10.180 7.272 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -16.825 11.049 5.920 1.00 0.00 H new ATOM 0 HE ARG A 45 -19.160 9.619 5.031 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -18.172 12.361 7.017 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -19.656 13.271 6.715 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -21.071 10.806 4.635 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -21.288 12.396 5.374 1.00 0.00 H new ATOM 730 N ASN A 46 -13.698 11.432 7.018 1.00 0.00 N ATOM 731 CA ASN A 46 -13.638 12.823 7.467 1.00 0.00 C ATOM 732 C ASN A 46 -12.640 13.616 6.627 1.00 0.00 C ATOM 733 O ASN A 46 -12.494 14.828 6.798 1.00 0.00 O ATOM 734 CB ASN A 46 -13.240 12.908 8.947 1.00 0.00 C ATOM 735 CG ASN A 46 -14.214 12.207 9.884 1.00 0.00 C ATOM 736 OD1 ASN A 46 -13.815 11.680 10.920 1.00 0.00 O ATOM 737 ND2 ASN A 46 -15.495 12.209 9.542 1.00 0.00 N ATOM 0 H ASN A 46 -13.183 10.778 7.607 1.00 0.00 H new ATOM 0 HA ASN A 46 -14.633 13.252 7.345 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -12.250 12.471 9.073 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -13.164 13.957 9.234 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -16.185 11.763 10.147 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -15.790 12.656 8.674 1.00 0.00 H new ATOM 744 N GLY A 47 -11.949 12.924 5.727 1.00 0.00 N ATOM 745 CA GLY A 47 -10.971 13.568 4.871 1.00 0.00 C ATOM 746 C GLY A 47 -9.769 14.067 5.646 1.00 0.00 C ATOM 747 O GLY A 47 -9.173 15.086 5.296 1.00 0.00 O ATOM 0 H GLY A 47 -12.051 11.921 5.575 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -10.641 12.864 4.107 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -11.440 14.405 4.353 1.00 0.00 H new ATOM 751 N LYS A 48 -9.414 13.349 6.703 1.00 0.00 N ATOM 752 CA LYS A 48 -8.329 13.769 7.573 1.00 0.00 C ATOM 753 C LYS A 48 -7.007 13.140 7.142 1.00 0.00 C ATOM 754 O LYS A 48 -5.983 13.815 7.084 1.00 0.00 O ATOM 755 CB LYS A 48 -8.651 13.401 9.025 1.00 0.00 C ATOM 756 CG LYS A 48 -7.650 13.947 10.031 1.00 0.00 C ATOM 757 CD LYS A 48 -8.075 13.659 11.463 1.00 0.00 C ATOM 758 CE LYS A 48 -9.410 14.313 11.801 1.00 0.00 C ATOM 759 NZ LYS A 48 -9.390 15.784 11.575 1.00 0.00 N ATOM 0 H LYS A 48 -9.862 12.475 6.977 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.225 14.851 7.497 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.644 13.776 9.274 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.688 12.315 9.116 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.671 13.505 9.846 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.545 15.023 9.892 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.151 12.582 11.610 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.309 14.021 12.149 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.196 13.865 11.193 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.658 14.111 12.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.235 16.213 12.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.537 16.191 12.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.384 15.978 10.553 1.00 0.00 H new ATOM 773 N ILE A 49 -7.034 11.851 6.830 1.00 0.00 N ATOM 774 CA ILE A 49 -5.821 11.138 6.443 1.00 0.00 C ATOM 775 C ILE A 49 -5.703 11.028 4.925 1.00 0.00 C ATOM 776 O ILE A 49 -6.596 11.454 4.192 1.00 0.00 O ATOM 777 CB ILE A 49 -5.768 9.722 7.062 1.00 0.00 C ATOM 778 CG1 ILE A 49 -6.969 8.887 6.600 1.00 0.00 C ATOM 779 CG2 ILE A 49 -5.725 9.813 8.583 1.00 0.00 C ATOM 780 CD1 ILE A 49 -6.934 7.450 7.078 1.00 0.00 C ATOM 0 H ILE A 49 -7.878 11.279 6.837 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.983 11.720 6.826 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.860 9.226 6.721 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.885 9.357 6.957 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.009 8.897 5.511 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.688 8.809 9.007 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -4.839 10.369 8.889 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.617 10.326 8.942 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -7.815 6.923 6.712 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.036 6.962 6.699 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.926 7.429 8.168 1.00 0.00 H new ATOM 792 N THR A 50 -4.598 10.460 4.462 1.00 0.00 N ATOM 793 CA THR A 50 -4.372 10.275 3.039 1.00 0.00 C ATOM 794 C THR A 50 -4.722 8.847 2.628 1.00 0.00 C ATOM 795 O THR A 50 -4.984 7.998 3.483 1.00 0.00 O ATOM 796 CB THR A 50 -2.902 10.554 2.670 1.00 0.00 C ATOM 797 OG1 THR A 50 -2.038 9.689 3.423 1.00 0.00 O ATOM 798 CG2 THR A 50 -2.536 12.004 2.943 1.00 0.00 C ATOM 0 H THR A 50 -3.842 10.119 5.056 1.00 0.00 H new ATOM 0 HA THR A 50 -5.012 10.980 2.509 1.00 0.00 H new ATOM 0 HB THR A 50 -2.776 10.362 1.605 1.00 0.00 H new ATOM 0 HG1 THR A 50 -1.105 9.869 3.183 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.493 12.173 2.674 1.00 0.00 H new ATOM 0 HG22 THR A 50 -3.175 12.658 2.350 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.677 12.222 4.002 1.00 0.00 H new ATOM 806 N VAL A 51 -4.722 8.579 1.327 1.00 0.00 N ATOM 807 CA VAL A 51 -4.936 7.222 0.839 1.00 0.00 C ATOM 808 C VAL A 51 -3.752 6.342 1.218 1.00 0.00 C ATOM 809 O VAL A 51 -3.926 5.204 1.644 1.00 0.00 O ATOM 810 CB VAL A 51 -5.151 7.187 -0.689 1.00 0.00 C ATOM 811 CG1 VAL A 51 -5.292 5.757 -1.188 1.00 0.00 C ATOM 812 CG2 VAL A 51 -6.374 8.001 -1.064 1.00 0.00 C ATOM 0 H VAL A 51 -4.578 9.277 0.597 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.843 6.840 1.309 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.275 7.626 -1.167 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.442 5.762 -2.268 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.387 5.198 -0.950 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.148 5.286 -0.704 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -6.515 7.969 -2.144 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -7.253 7.586 -0.571 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.234 9.035 -0.747 1.00 0.00 H new ATOM 822 N ARG A 52 -2.550 6.894 1.085 1.00 0.00 N ATOM 823 CA ARG A 52 -1.333 6.206 1.501 1.00 0.00 C ATOM 824 C ARG A 52 -1.434 5.776 2.964 1.00 0.00 C ATOM 825 O ARG A 52 -1.081 4.651 3.320 1.00 0.00 O ATOM 826 CB ARG A 52 -0.124 7.125 1.312 1.00 0.00 C ATOM 827 CG ARG A 52 1.185 6.515 1.778 1.00 0.00 C ATOM 828 CD ARG A 52 2.327 7.510 1.692 1.00 0.00 C ATOM 829 NE ARG A 52 3.405 7.032 0.831 1.00 0.00 N ATOM 830 CZ ARG A 52 4.688 7.333 1.009 1.00 0.00 C ATOM 831 NH1 ARG A 52 5.069 8.097 2.025 1.00 0.00 N ATOM 832 NH2 ARG A 52 5.597 6.871 0.167 1.00 0.00 N ATOM 0 H ARG A 52 -2.393 7.821 0.690 1.00 0.00 H new ATOM 0 HA ARG A 52 -1.209 5.316 0.884 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.038 7.385 0.257 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -0.296 8.054 1.856 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.080 6.169 2.806 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.417 5.641 1.169 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.952 8.460 1.310 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.718 7.700 2.691 1.00 0.00 H new ATOM 0 HE ARG A 52 3.159 6.430 0.045 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.375 8.460 2.679 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.056 8.322 2.152 1.00 0.00 H new ATOM 0 HH21 ARG A 52 5.314 6.284 -0.618 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.581 7.101 0.302 1.00 0.00 H new ATOM 846 N GLU A 53 -1.926 6.685 3.801 1.00 0.00 N ATOM 847 CA GLU A 53 -2.127 6.406 5.217 1.00 0.00 C ATOM 848 C GLU A 53 -3.149 5.289 5.409 1.00 0.00 C ATOM 849 O GLU A 53 -2.947 4.375 6.213 1.00 0.00 O ATOM 850 CB GLU A 53 -2.591 7.675 5.936 1.00 0.00 C ATOM 851 CG GLU A 53 -2.969 7.460 7.393 1.00 0.00 C ATOM 852 CD GLU A 53 -1.809 6.994 8.251 1.00 0.00 C ATOM 853 OE1 GLU A 53 -0.709 6.761 7.713 1.00 0.00 O ATOM 854 OE2 GLU A 53 -1.993 6.866 9.477 1.00 0.00 O ATOM 0 H GLU A 53 -2.194 7.628 3.519 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.179 6.078 5.644 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.797 8.420 5.884 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.450 8.087 5.406 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.362 8.391 7.800 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.771 6.724 7.448 1.00 0.00 H new ATOM 861 N PHE A 54 -4.243 5.371 4.666 1.00 0.00 N ATOM 862 CA PHE A 54 -5.293 4.367 4.739 1.00 0.00 C ATOM 863 C PHE A 54 -4.751 3.001 4.327 1.00 0.00 C ATOM 864 O PHE A 54 -4.997 1.999 4.999 1.00 0.00 O ATOM 865 CB PHE A 54 -6.467 4.776 3.848 1.00 0.00 C ATOM 866 CG PHE A 54 -7.676 3.899 3.991 1.00 0.00 C ATOM 867 CD1 PHE A 54 -8.428 3.924 5.154 1.00 0.00 C ATOM 868 CD2 PHE A 54 -8.062 3.054 2.965 1.00 0.00 C ATOM 869 CE1 PHE A 54 -9.545 3.124 5.289 1.00 0.00 C ATOM 870 CE2 PHE A 54 -9.177 2.251 3.095 1.00 0.00 C ATOM 871 CZ PHE A 54 -9.920 2.286 4.259 1.00 0.00 C ATOM 0 H PHE A 54 -4.426 6.125 4.004 1.00 0.00 H new ATOM 0 HA PHE A 54 -5.646 4.296 5.768 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -6.746 5.803 4.082 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -6.142 4.763 2.808 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -8.137 4.576 5.964 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -7.485 3.023 2.053 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -10.125 3.154 6.200 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -9.468 1.596 2.287 1.00 0.00 H new ATOM 0 HZ PHE A 54 -10.793 1.659 4.363 1.00 0.00 H new ATOM 881 N VAL A 55 -3.996 2.977 3.230 1.00 0.00 N ATOM 882 CA VAL A 55 -3.360 1.752 2.760 1.00 0.00 C ATOM 883 C VAL A 55 -2.422 1.194 3.825 1.00 0.00 C ATOM 884 O VAL A 55 -2.408 -0.007 4.072 1.00 0.00 O ATOM 885 CB VAL A 55 -2.575 1.979 1.444 1.00 0.00 C ATOM 886 CG1 VAL A 55 -1.795 0.733 1.050 1.00 0.00 C ATOM 887 CG2 VAL A 55 -3.518 2.379 0.321 1.00 0.00 C ATOM 0 H VAL A 55 -3.811 3.795 2.650 1.00 0.00 H new ATOM 0 HA VAL A 55 -4.155 1.033 2.562 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.866 2.789 1.615 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.254 0.921 0.123 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.087 0.482 1.840 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.486 -0.098 0.905 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -2.948 2.534 -0.595 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.251 1.588 0.163 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.032 3.302 0.589 1.00 0.00 H new ATOM 897 N ARG A 56 -1.661 2.075 4.468 1.00 0.00 N ATOM 898 CA ARG A 56 -0.731 1.672 5.522 1.00 0.00 C ATOM 899 C ARG A 56 -1.459 0.909 6.628 1.00 0.00 C ATOM 900 O ARG A 56 -1.055 -0.192 7.009 1.00 0.00 O ATOM 901 CB ARG A 56 -0.025 2.899 6.112 1.00 0.00 C ATOM 902 CG ARG A 56 0.984 2.554 7.197 1.00 0.00 C ATOM 903 CD ARG A 56 1.750 3.778 7.680 1.00 0.00 C ATOM 904 NE ARG A 56 0.915 4.693 8.456 1.00 0.00 N ATOM 905 CZ ARG A 56 1.050 4.884 9.769 1.00 0.00 C ATOM 906 NH1 ARG A 56 1.985 4.227 10.449 1.00 0.00 N ATOM 907 NH2 ARG A 56 0.250 5.732 10.399 1.00 0.00 N ATOM 0 H ARG A 56 -1.669 3.077 4.278 1.00 0.00 H new ATOM 0 HA ARG A 56 0.015 1.013 5.078 1.00 0.00 H new ATOM 0 HB2 ARG A 56 0.484 3.436 5.311 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -0.773 3.576 6.524 1.00 0.00 H new ATOM 0 HG2 ARG A 56 0.466 2.096 8.040 1.00 0.00 H new ATOM 0 HG3 ARG A 56 1.688 1.815 6.815 1.00 0.00 H new ATOM 0 HD2 ARG A 56 2.594 3.456 8.290 1.00 0.00 H new ATOM 0 HD3 ARG A 56 2.161 4.307 6.820 1.00 0.00 H new ATOM 0 HE ARG A 56 0.188 5.215 7.966 1.00 0.00 H new ATOM 0 HH11 ARG A 56 2.602 3.574 9.966 1.00 0.00 H new ATOM 0 HH12 ARG A 56 2.085 4.376 11.453 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.468 6.238 9.880 1.00 0.00 H new ATOM 0 HH22 ARG A 56 0.352 5.879 11.403 1.00 0.00 H new ATOM 921 N ALA A 57 -2.544 1.498 7.119 1.00 0.00 N ATOM 922 CA ALA A 57 -3.328 0.901 8.195 1.00 0.00 C ATOM 923 C ALA A 57 -3.870 -0.469 7.794 1.00 0.00 C ATOM 924 O ALA A 57 -3.783 -1.429 8.561 1.00 0.00 O ATOM 925 CB ALA A 57 -4.471 1.826 8.585 1.00 0.00 C ATOM 0 H ALA A 57 -2.902 2.393 6.787 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.671 0.762 9.054 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.050 1.371 9.389 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -4.067 2.780 8.924 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.116 1.991 7.722 1.00 0.00 H new ATOM 931 N VAL A 58 -4.412 -0.557 6.582 1.00 0.00 N ATOM 932 CA VAL A 58 -5.021 -1.793 6.106 1.00 0.00 C ATOM 933 C VAL A 58 -3.959 -2.843 5.778 1.00 0.00 C ATOM 934 O VAL A 58 -4.144 -4.028 6.046 1.00 0.00 O ATOM 935 CB VAL A 58 -5.912 -1.548 4.863 1.00 0.00 C ATOM 936 CG1 VAL A 58 -6.624 -2.825 4.443 1.00 0.00 C ATOM 937 CG2 VAL A 58 -6.925 -0.447 5.136 1.00 0.00 C ATOM 0 H VAL A 58 -4.441 0.213 5.913 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.650 -2.167 6.914 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.265 -1.231 4.045 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -7.243 -2.626 3.568 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.886 -3.589 4.199 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -7.254 -3.176 5.260 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.540 -0.291 4.250 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -7.560 -0.737 5.973 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.401 0.477 5.381 1.00 0.00 H new ATOM 947 N ALA A 59 -2.840 -2.405 5.220 1.00 0.00 N ATOM 948 CA ALA A 59 -1.774 -3.319 4.827 1.00 0.00 C ATOM 949 C ALA A 59 -1.096 -3.952 6.038 1.00 0.00 C ATOM 950 O ALA A 59 -0.493 -5.019 5.931 1.00 0.00 O ATOM 951 CB ALA A 59 -0.747 -2.600 3.968 1.00 0.00 C ATOM 0 H ALA A 59 -2.645 -1.422 5.029 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.229 -4.120 4.244 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.041 -3.297 3.684 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -1.230 -2.213 3.071 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.315 -1.774 4.533 1.00 0.00 H new ATOM 957 N LYS A 60 -1.187 -3.295 7.190 1.00 0.00 N ATOM 958 CA LYS A 60 -0.572 -3.824 8.403 1.00 0.00 C ATOM 959 C LYS A 60 -1.551 -4.658 9.228 1.00 0.00 C ATOM 960 O LYS A 60 -1.290 -4.950 10.395 1.00 0.00 O ATOM 961 CB LYS A 60 0.020 -2.699 9.258 1.00 0.00 C ATOM 962 CG LYS A 60 1.200 -2.005 8.599 1.00 0.00 C ATOM 963 CD LYS A 60 2.094 -1.314 9.616 1.00 0.00 C ATOM 964 CE LYS A 60 3.315 -0.704 8.946 1.00 0.00 C ATOM 965 NZ LYS A 60 4.296 -0.179 9.933 1.00 0.00 N ATOM 0 H LYS A 60 -1.674 -2.407 7.309 1.00 0.00 H new ATOM 0 HA LYS A 60 0.236 -4.483 8.084 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.756 -1.963 9.466 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.337 -3.108 10.217 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.784 -2.736 8.040 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.834 -1.272 7.880 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.531 -0.536 10.131 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.411 -2.031 10.373 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.798 -1.456 8.322 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.999 0.104 8.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.965 0.456 9.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.793 0.346 10.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.817 -0.971 10.360 1.00 0.00 H new ATOM 979 N SER A 61 -2.664 -5.056 8.625 1.00 0.00 N ATOM 980 CA SER A 61 -3.604 -5.942 9.298 1.00 0.00 C ATOM 981 C SER A 61 -3.335 -7.388 8.885 1.00 0.00 C ATOM 982 O SER A 61 -2.881 -7.649 7.767 1.00 0.00 O ATOM 983 CB SER A 61 -5.054 -5.551 8.984 1.00 0.00 C ATOM 984 OG SER A 61 -5.362 -5.719 7.611 1.00 0.00 O ATOM 0 H SER A 61 -2.936 -4.783 7.681 1.00 0.00 H new ATOM 0 HA SER A 61 -3.462 -5.846 10.374 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.732 -6.158 9.585 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.219 -4.512 9.268 1.00 0.00 H new ATOM 0 HG SER A 61 -4.886 -5.044 7.084 1.00 0.00 H new ATOM 990 N GLU A 62 -3.601 -8.329 9.780 1.00 0.00 N ATOM 991 CA GLU A 62 -3.335 -9.729 9.494 1.00 0.00 C ATOM 992 C GLU A 62 -4.541 -10.388 8.835 1.00 0.00 C ATOM 993 O GLU A 62 -5.358 -11.025 9.497 1.00 0.00 O ATOM 994 CB GLU A 62 -2.918 -10.501 10.758 1.00 0.00 C ATOM 995 CG GLU A 62 -3.073 -9.729 12.067 1.00 0.00 C ATOM 996 CD GLU A 62 -4.516 -9.525 12.482 1.00 0.00 C ATOM 997 OE1 GLU A 62 -5.056 -10.389 13.211 1.00 0.00 O ATOM 998 OE2 GLU A 62 -5.102 -8.493 12.103 1.00 0.00 O ATOM 0 H GLU A 62 -3.997 -8.150 10.702 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.498 -9.764 8.797 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.510 -11.414 10.820 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.876 -10.804 10.653 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.548 -10.263 12.859 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.592 -8.756 11.965 1.00 0.00 H new ATOM 1005 N LEU A 63 -4.662 -10.201 7.531 1.00 0.00 N ATOM 1006 CA LEU A 63 -5.734 -10.817 6.770 1.00 0.00 C ATOM 1007 C LEU A 63 -5.357 -12.249 6.413 1.00 0.00 C ATOM 1008 O LEU A 63 -4.437 -12.472 5.623 1.00 0.00 O ATOM 1009 CB LEU A 63 -6.020 -10.001 5.504 1.00 0.00 C ATOM 1010 CG LEU A 63 -7.242 -10.452 4.696 1.00 0.00 C ATOM 1011 CD1 LEU A 63 -8.508 -10.340 5.531 1.00 0.00 C ATOM 1012 CD2 LEU A 63 -7.375 -9.630 3.425 1.00 0.00 C ATOM 0 H LEU A 63 -4.028 -9.625 6.977 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.639 -10.836 7.377 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.157 -8.958 5.788 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.143 -10.043 4.859 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.101 -11.497 4.420 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.364 -10.665 4.939 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -8.418 -10.971 6.415 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -8.651 -9.304 5.838 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -8.248 -9.965 2.865 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.491 -8.577 3.683 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.481 -9.757 2.814 1.00 0.00 H new ATOM 1024 N TYR A 64 -6.066 -13.206 7.021 1.00 0.00 N ATOM 1025 CA TYR A 64 -5.792 -14.640 6.860 1.00 0.00 C ATOM 1026 C TYR A 64 -4.511 -15.038 7.595 1.00 0.00 C ATOM 1027 O TYR A 64 -4.533 -15.858 8.513 1.00 0.00 O ATOM 1028 CB TYR A 64 -5.702 -15.038 5.380 1.00 0.00 C ATOM 1029 CG TYR A 64 -7.018 -14.968 4.641 1.00 0.00 C ATOM 1030 CD1 TYR A 64 -7.972 -15.964 4.794 1.00 0.00 C ATOM 1031 CD2 TYR A 64 -7.307 -13.909 3.792 1.00 0.00 C ATOM 1032 CE1 TYR A 64 -9.176 -15.908 4.122 1.00 0.00 C ATOM 1033 CE2 TYR A 64 -8.510 -13.845 3.115 1.00 0.00 C ATOM 1034 CZ TYR A 64 -9.440 -14.848 3.284 1.00 0.00 C ATOM 1035 OH TYR A 64 -10.642 -14.789 2.613 1.00 0.00 O ATOM 0 H TYR A 64 -6.850 -13.008 7.642 1.00 0.00 H new ATOM 0 HA TYR A 64 -6.630 -15.180 7.302 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -4.983 -14.387 4.883 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -5.312 -16.054 5.311 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -7.769 -16.797 5.450 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -6.580 -13.122 3.658 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -9.907 -16.692 4.253 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -8.720 -13.014 2.458 1.00 0.00 H new ATOM 0 HH TYR A 64 -10.671 -13.978 2.064 1.00 0.00 H new ATOM 1045 N LYS A 65 -3.406 -14.439 7.190 1.00 0.00 N ATOM 1046 CA LYS A 65 -2.106 -14.681 7.793 1.00 0.00 C ATOM 1047 C LYS A 65 -1.301 -13.399 7.696 1.00 0.00 C ATOM 1048 O LYS A 65 -1.517 -12.612 6.777 1.00 0.00 O ATOM 1049 CB LYS A 65 -1.409 -15.847 7.088 1.00 0.00 C ATOM 1050 CG LYS A 65 -0.252 -16.441 7.876 1.00 0.00 C ATOM 1051 CD LYS A 65 -0.630 -16.704 9.325 1.00 0.00 C ATOM 1052 CE LYS A 65 0.511 -17.357 10.081 1.00 0.00 C ATOM 1053 NZ LYS A 65 0.418 -17.132 11.548 1.00 0.00 N ATOM 0 H LYS A 65 -3.385 -13.764 6.426 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.208 -14.960 8.842 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.141 -16.630 6.891 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -1.040 -15.506 6.121 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.065 -17.373 7.408 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.599 -15.761 7.840 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.900 -15.765 9.809 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.510 -17.347 9.363 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.512 -18.428 9.879 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.459 -16.963 9.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.219 -17.597 12.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.444 -16.111 11.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.474 -17.531 11.905 1.00 0.00 H new ATOM 1185 N PHE A 73 8.254 -20.789 1.605 1.00 0.00 N ATOM 1186 CA PHE A 73 8.287 -20.060 0.345 1.00 0.00 C ATOM 1187 C PHE A 73 7.991 -18.588 0.603 1.00 0.00 C ATOM 1188 O PHE A 73 6.997 -18.046 0.116 1.00 0.00 O ATOM 1189 CB PHE A 73 7.263 -20.625 -0.651 1.00 0.00 C ATOM 1190 CG PHE A 73 7.522 -22.046 -1.068 1.00 0.00 C ATOM 1191 CD1 PHE A 73 8.561 -22.349 -1.933 1.00 0.00 C ATOM 1192 CD2 PHE A 73 6.721 -23.076 -0.601 1.00 0.00 C ATOM 1193 CE1 PHE A 73 8.798 -23.654 -2.324 1.00 0.00 C ATOM 1194 CE2 PHE A 73 6.952 -24.383 -0.989 1.00 0.00 C ATOM 1195 CZ PHE A 73 7.993 -24.672 -1.852 1.00 0.00 C ATOM 0 HA PHE A 73 9.281 -20.170 -0.089 1.00 0.00 H new ATOM 0 HB2 PHE A 73 6.270 -20.565 -0.206 1.00 0.00 H new ATOM 0 HB3 PHE A 73 7.253 -19.994 -1.540 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.193 -21.557 -2.306 1.00 0.00 H new ATOM 0 HD2 PHE A 73 5.907 -22.855 0.074 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.612 -23.877 -2.998 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.320 -25.177 -0.619 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.176 -25.692 -2.156 1.00 0.00 H new ATOM 1205 N GLN A 74 8.853 -17.945 1.383 1.00 0.00 N ATOM 1206 CA GLN A 74 8.642 -16.556 1.776 1.00 0.00 C ATOM 1207 C GLN A 74 8.720 -15.627 0.567 1.00 0.00 C ATOM 1208 O GLN A 74 8.131 -14.544 0.562 1.00 0.00 O ATOM 1209 CB GLN A 74 9.655 -16.130 2.842 1.00 0.00 C ATOM 1210 CG GLN A 74 9.318 -14.796 3.490 1.00 0.00 C ATOM 1211 CD GLN A 74 8.054 -14.852 4.334 1.00 0.00 C ATOM 1212 OE1 GLN A 74 7.155 -15.658 4.090 1.00 0.00 O ATOM 1213 NE2 GLN A 74 7.966 -13.982 5.323 1.00 0.00 N ATOM 0 H GLN A 74 9.705 -18.364 1.756 1.00 0.00 H new ATOM 0 HA GLN A 74 7.642 -16.480 2.202 1.00 0.00 H new ATOM 0 HB2 GLN A 74 9.706 -16.899 3.613 1.00 0.00 H new ATOM 0 HB3 GLN A 74 10.644 -16.067 2.389 1.00 0.00 H new ATOM 0 HG2 GLN A 74 10.153 -14.480 4.115 1.00 0.00 H new ATOM 0 HG3 GLN A 74 9.198 -14.040 2.714 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.730 -13.329 5.497 1.00 0.00 H new ATOM 0 HE22 GLN A 74 7.134 -13.963 5.913 1.00 0.00 H new ATOM 1222 N THR A 75 9.444 -16.059 -0.460 1.00 0.00 N ATOM 1223 CA THR A 75 9.568 -15.291 -1.690 1.00 0.00 C ATOM 1224 C THR A 75 8.198 -15.023 -2.312 1.00 0.00 C ATOM 1225 O THR A 75 7.990 -14.000 -2.966 1.00 0.00 O ATOM 1226 CB THR A 75 10.463 -16.025 -2.706 1.00 0.00 C ATOM 1227 OG1 THR A 75 9.990 -17.365 -2.896 1.00 0.00 O ATOM 1228 CG2 THR A 75 11.907 -16.053 -2.228 1.00 0.00 C ATOM 0 H THR A 75 9.955 -16.941 -0.463 1.00 0.00 H new ATOM 0 HA THR A 75 10.029 -14.337 -1.435 1.00 0.00 H new ATOM 0 HB THR A 75 10.420 -15.488 -3.654 1.00 0.00 H new ATOM 0 HG1 THR A 75 10.563 -17.825 -3.545 1.00 0.00 H new ATOM 0 HG21 THR A 75 12.522 -16.576 -2.960 1.00 0.00 H new ATOM 0 HG22 THR A 75 12.271 -15.032 -2.111 1.00 0.00 H new ATOM 0 HG23 THR A 75 11.963 -16.571 -1.270 1.00 0.00 H new ATOM 1236 N ARG A 76 7.259 -15.938 -2.080 1.00 0.00 N ATOM 1237 CA ARG A 76 5.903 -15.798 -2.593 1.00 0.00 C ATOM 1238 C ARG A 76 5.193 -14.624 -1.923 1.00 0.00 C ATOM 1239 O ARG A 76 4.447 -13.887 -2.569 1.00 0.00 O ATOM 1240 CB ARG A 76 5.123 -17.096 -2.376 1.00 0.00 C ATOM 1241 CG ARG A 76 3.686 -17.048 -2.878 1.00 0.00 C ATOM 1242 CD ARG A 76 3.145 -18.446 -3.122 1.00 0.00 C ATOM 1243 NE ARG A 76 3.918 -19.143 -4.147 1.00 0.00 N ATOM 1244 CZ ARG A 76 3.585 -20.313 -4.681 1.00 0.00 C ATOM 1245 NH1 ARG A 76 2.490 -20.950 -4.290 1.00 0.00 N ATOM 1246 NH2 ARG A 76 4.354 -20.847 -5.615 1.00 0.00 N ATOM 0 H ARG A 76 7.416 -16.787 -1.537 1.00 0.00 H new ATOM 0 HA ARG A 76 5.953 -15.596 -3.663 1.00 0.00 H new ATOM 0 HB2 ARG A 76 5.645 -17.910 -2.879 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.117 -17.330 -1.312 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.060 -16.535 -2.148 1.00 0.00 H new ATOM 0 HG3 ARG A 76 3.639 -16.470 -3.801 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.172 -19.016 -2.193 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.101 -18.386 -3.429 1.00 0.00 H new ATOM 0 HE ARG A 76 4.775 -18.699 -4.477 1.00 0.00 H new ATOM 0 HH11 ARG A 76 1.892 -20.542 -3.571 1.00 0.00 H new ATOM 0 HH12 ARG A 76 2.246 -21.848 -4.708 1.00 0.00 H new ATOM 0 HH21 ARG A 76 5.197 -20.361 -5.921 1.00 0.00 H new ATOM 0 HH22 ARG A 76 4.104 -21.745 -6.029 1.00 0.00 H new ATOM 1260 N VAL A 77 5.455 -14.444 -0.632 1.00 0.00 N ATOM 1261 CA VAL A 77 4.892 -13.330 0.126 1.00 0.00 C ATOM 1262 C VAL A 77 5.467 -12.011 -0.392 1.00 0.00 C ATOM 1263 O VAL A 77 4.791 -10.978 -0.412 1.00 0.00 O ATOM 1264 CB VAL A 77 5.184 -13.486 1.638 1.00 0.00 C ATOM 1265 CG1 VAL A 77 4.527 -12.380 2.447 1.00 0.00 C ATOM 1266 CG2 VAL A 77 4.713 -14.844 2.133 1.00 0.00 C ATOM 0 H VAL A 77 6.058 -15.059 -0.085 1.00 0.00 H new ATOM 0 HA VAL A 77 3.810 -13.329 -0.010 1.00 0.00 H new ATOM 0 HB VAL A 77 6.263 -13.411 1.776 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.752 -12.520 3.504 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.909 -11.413 2.119 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.448 -12.413 2.298 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.926 -14.937 3.198 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.640 -14.939 1.968 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.235 -15.631 1.589 1.00 0.00 H new ATOM 1276 N ILE A 78 6.713 -12.065 -0.842 1.00 0.00 N ATOM 1277 CA ILE A 78 7.359 -10.917 -1.458 1.00 0.00 C ATOM 1278 C ILE A 78 6.679 -10.576 -2.785 1.00 0.00 C ATOM 1279 O ILE A 78 6.429 -9.408 -3.085 1.00 0.00 O ATOM 1280 CB ILE A 78 8.861 -11.185 -1.701 1.00 0.00 C ATOM 1281 CG1 ILE A 78 9.553 -11.565 -0.389 1.00 0.00 C ATOM 1282 CG2 ILE A 78 9.528 -9.965 -2.323 1.00 0.00 C ATOM 1283 CD1 ILE A 78 11.015 -11.919 -0.553 1.00 0.00 C ATOM 0 H ILE A 78 7.299 -12.898 -0.791 1.00 0.00 H new ATOM 0 HA ILE A 78 7.264 -10.074 -0.773 1.00 0.00 H new ATOM 0 HB ILE A 78 8.956 -12.019 -2.397 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.466 -10.734 0.311 1.00 0.00 H new ATOM 0 HG13 ILE A 78 9.031 -12.412 0.055 1.00 0.00 H new ATOM 0 HG21 ILE A 78 10.585 -10.172 -2.487 1.00 0.00 H new ATOM 0 HG22 ILE A 78 9.051 -9.736 -3.276 1.00 0.00 H new ATOM 0 HG23 ILE A 78 9.425 -9.112 -1.652 1.00 0.00 H new ATOM 0 HD11 ILE A 78 11.438 -12.177 0.418 1.00 0.00 H new ATOM 0 HD12 ILE A 78 11.110 -12.770 -1.228 1.00 0.00 H new ATOM 0 HD13 ILE A 78 11.552 -11.066 -0.967 1.00 0.00 H new ATOM 1295 N GLU A 79 6.363 -11.603 -3.569 1.00 0.00 N ATOM 1296 CA GLU A 79 5.667 -11.412 -4.835 1.00 0.00 C ATOM 1297 C GLU A 79 4.290 -10.794 -4.603 1.00 0.00 C ATOM 1298 O GLU A 79 3.837 -9.952 -5.379 1.00 0.00 O ATOM 1299 CB GLU A 79 5.525 -12.739 -5.582 1.00 0.00 C ATOM 1300 CG GLU A 79 6.853 -13.400 -5.926 1.00 0.00 C ATOM 1301 CD GLU A 79 6.673 -14.674 -6.723 1.00 0.00 C ATOM 1302 OE1 GLU A 79 6.400 -15.734 -6.114 1.00 0.00 O ATOM 1303 OE2 GLU A 79 6.792 -14.626 -7.964 1.00 0.00 O ATOM 0 H GLU A 79 6.578 -12.575 -3.349 1.00 0.00 H new ATOM 0 HA GLU A 79 6.260 -10.731 -5.445 1.00 0.00 H new ATOM 0 HB2 GLU A 79 4.936 -13.425 -4.974 1.00 0.00 H new ATOM 0 HB3 GLU A 79 4.966 -12.568 -6.502 1.00 0.00 H new ATOM 0 HG2 GLU A 79 7.467 -12.702 -6.495 1.00 0.00 H new ATOM 0 HG3 GLU A 79 7.394 -13.623 -5.006 1.00 0.00 H new ATOM 1310 N LEU A 80 3.635 -11.212 -3.522 1.00 0.00 N ATOM 1311 CA LEU A 80 2.329 -10.673 -3.156 1.00 0.00 C ATOM 1312 C LEU A 80 2.433 -9.177 -2.862 1.00 0.00 C ATOM 1313 O LEU A 80 1.544 -8.400 -3.223 1.00 0.00 O ATOM 1314 CB LEU A 80 1.769 -11.417 -1.939 1.00 0.00 C ATOM 1315 CG LEU A 80 1.519 -12.912 -2.149 1.00 0.00 C ATOM 1316 CD1 LEU A 80 1.074 -13.565 -0.850 1.00 0.00 C ATOM 1317 CD2 LEU A 80 0.482 -13.133 -3.241 1.00 0.00 C ATOM 0 H LEU A 80 3.989 -11.924 -2.883 1.00 0.00 H new ATOM 0 HA LEU A 80 1.648 -10.815 -3.995 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.462 -11.294 -1.107 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.831 -10.946 -1.645 1.00 0.00 H new ATOM 0 HG LEU A 80 2.453 -13.376 -2.465 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.901 -14.628 -1.018 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.850 -13.439 -0.095 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.152 -13.097 -0.505 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.318 -14.202 -3.376 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.455 -12.655 -2.955 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.840 -12.700 -4.175 1.00 0.00 H new ATOM 1329 N ASN A 81 3.529 -8.784 -2.213 1.00 0.00 N ATOM 1330 CA ASN A 81 3.820 -7.372 -1.966 1.00 0.00 C ATOM 1331 C ASN A 81 3.830 -6.595 -3.269 1.00 0.00 C ATOM 1332 O ASN A 81 3.080 -5.635 -3.449 1.00 0.00 O ATOM 1333 CB ASN A 81 5.192 -7.200 -1.309 1.00 0.00 C ATOM 1334 CG ASN A 81 5.148 -7.150 0.201 1.00 0.00 C ATOM 1335 OD1 ASN A 81 4.951 -6.085 0.787 1.00 0.00 O ATOM 1336 ND2 ASN A 81 5.349 -8.292 0.842 1.00 0.00 N ATOM 0 H ASN A 81 4.232 -9.426 -1.848 1.00 0.00 H new ATOM 0 HA ASN A 81 3.041 -6.995 -1.303 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.837 -8.023 -1.616 1.00 0.00 H new ATOM 0 HB3 ASN A 81 5.649 -6.282 -1.680 1.00 0.00 H new ATOM 0 HD21 ASN A 81 5.344 -8.312 1.862 1.00 0.00 H new ATOM 0 HD22 ASN A 81 5.508 -9.151 0.316 1.00 0.00 H new ATOM 1343 N TYR A 82 4.681 -7.038 -4.182 1.00 0.00 N ATOM 1344 CA TYR A 82 4.923 -6.327 -5.426 1.00 0.00 C ATOM 1345 C TYR A 82 3.686 -6.289 -6.309 1.00 0.00 C ATOM 1346 O TYR A 82 3.435 -5.296 -6.985 1.00 0.00 O ATOM 1347 CB TYR A 82 6.111 -6.953 -6.165 1.00 0.00 C ATOM 1348 CG TYR A 82 7.448 -6.562 -5.575 1.00 0.00 C ATOM 1349 CD1 TYR A 82 7.748 -6.835 -4.248 1.00 0.00 C ATOM 1350 CD2 TYR A 82 8.396 -5.894 -6.336 1.00 0.00 C ATOM 1351 CE1 TYR A 82 8.955 -6.458 -3.697 1.00 0.00 C ATOM 1352 CE2 TYR A 82 9.607 -5.509 -5.788 1.00 0.00 C ATOM 1353 CZ TYR A 82 9.880 -5.796 -4.469 1.00 0.00 C ATOM 1354 OH TYR A 82 11.077 -5.403 -3.911 1.00 0.00 O ATOM 0 H TYR A 82 5.221 -7.897 -4.081 1.00 0.00 H new ATOM 0 HA TYR A 82 5.166 -5.293 -5.181 1.00 0.00 H new ATOM 0 HB2 TYR A 82 6.014 -8.038 -6.143 1.00 0.00 H new ATOM 0 HB3 TYR A 82 6.080 -6.651 -7.212 1.00 0.00 H new ATOM 0 HD1 TYR A 82 7.024 -7.352 -3.636 1.00 0.00 H new ATOM 0 HD2 TYR A 82 8.186 -5.671 -7.372 1.00 0.00 H new ATOM 0 HE1 TYR A 82 9.173 -6.682 -2.663 1.00 0.00 H new ATOM 0 HE2 TYR A 82 10.334 -4.986 -6.392 1.00 0.00 H new ATOM 0 HH TYR A 82 10.942 -5.187 -2.965 1.00 0.00 H new ATOM 1364 N LYS A 83 2.895 -7.348 -6.284 1.00 0.00 N ATOM 1365 CA LYS A 83 1.718 -7.409 -7.133 1.00 0.00 C ATOM 1366 C LYS A 83 0.594 -6.521 -6.602 1.00 0.00 C ATOM 1367 O LYS A 83 0.051 -5.702 -7.337 1.00 0.00 O ATOM 1368 CB LYS A 83 1.212 -8.846 -7.281 1.00 0.00 C ATOM 1369 CG LYS A 83 0.067 -8.966 -8.275 1.00 0.00 C ATOM 1370 CD LYS A 83 -0.421 -10.395 -8.421 1.00 0.00 C ATOM 1371 CE LYS A 83 -1.472 -10.499 -9.516 1.00 0.00 C ATOM 1372 NZ LYS A 83 -1.979 -11.884 -9.682 1.00 0.00 N ATOM 0 H LYS A 83 3.043 -8.167 -5.694 1.00 0.00 H new ATOM 0 HA LYS A 83 2.018 -7.039 -8.113 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.035 -9.485 -7.602 1.00 0.00 H new ATOM 0 HB3 LYS A 83 0.884 -9.213 -6.309 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.760 -8.333 -7.952 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.392 -8.594 -9.247 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.419 -11.049 -8.654 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -0.840 -10.739 -7.475 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -2.304 -9.836 -9.281 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -1.046 -10.155 -10.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -2.692 -11.904 -10.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -1.191 -12.515 -9.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -2.410 -12.205 -8.792 1.00 0.00 H new ATOM 1386 N HIS A 84 0.256 -6.666 -5.327 1.00 0.00 N ATOM 1387 CA HIS A 84 -0.946 -6.026 -4.803 1.00 0.00 C ATOM 1388 C HIS A 84 -0.663 -4.639 -4.220 1.00 0.00 C ATOM 1389 O HIS A 84 -1.567 -3.810 -4.136 1.00 0.00 O ATOM 1390 CB HIS A 84 -1.612 -6.914 -3.745 1.00 0.00 C ATOM 1391 CG HIS A 84 -3.076 -6.634 -3.571 1.00 0.00 C ATOM 1392 ND1 HIS A 84 -3.573 -5.690 -2.696 1.00 0.00 N ATOM 1393 CD2 HIS A 84 -4.156 -7.181 -4.180 1.00 0.00 C ATOM 1394 CE1 HIS A 84 -4.893 -5.673 -2.776 1.00 0.00 C ATOM 1395 NE2 HIS A 84 -5.269 -6.566 -3.669 1.00 0.00 N ATOM 0 H HIS A 84 0.786 -7.211 -4.646 1.00 0.00 H new ATOM 0 HA HIS A 84 -1.626 -5.894 -5.645 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -1.480 -7.960 -4.023 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -1.106 -6.771 -2.790 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -4.142 -7.958 -4.930 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -5.552 -5.035 -2.206 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -6.233 -6.767 -3.937 1.00 0.00 H new ATOM 1404 N LEU A 85 0.569 -4.386 -3.801 1.00 0.00 N ATOM 1405 CA LEU A 85 0.904 -3.088 -3.218 1.00 0.00 C ATOM 1406 C LEU A 85 1.623 -2.195 -4.221 1.00 0.00 C ATOM 1407 O LEU A 85 1.284 -1.023 -4.373 1.00 0.00 O ATOM 1408 CB LEU A 85 1.768 -3.254 -1.963 1.00 0.00 C ATOM 1409 CG LEU A 85 1.094 -3.970 -0.789 1.00 0.00 C ATOM 1410 CD1 LEU A 85 2.047 -4.064 0.392 1.00 0.00 C ATOM 1411 CD2 LEU A 85 -0.183 -3.248 -0.386 1.00 0.00 C ATOM 0 H LEU A 85 1.344 -5.048 -3.851 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.036 -2.610 -2.940 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.669 -3.805 -2.233 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.087 -2.267 -1.629 1.00 0.00 H new ATOM 0 HG LEU A 85 0.833 -4.980 -1.105 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.553 -4.575 1.218 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.936 -4.623 0.099 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.336 -3.061 0.707 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.648 -3.771 0.450 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.055 -2.227 -0.088 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.872 -3.228 -1.231 1.00 0.00 H new ATOM 1423 N LEU A 86 2.618 -2.747 -4.901 1.00 0.00 N ATOM 1424 CA LEU A 86 3.418 -1.961 -5.834 1.00 0.00 C ATOM 1425 C LEU A 86 2.779 -1.931 -7.219 1.00 0.00 C ATOM 1426 O LEU A 86 2.997 -0.997 -7.991 1.00 0.00 O ATOM 1427 CB LEU A 86 4.842 -2.515 -5.924 1.00 0.00 C ATOM 1428 CG LEU A 86 5.615 -2.552 -4.603 1.00 0.00 C ATOM 1429 CD1 LEU A 86 7.024 -3.063 -4.830 1.00 0.00 C ATOM 1430 CD2 LEU A 86 5.650 -1.178 -3.957 1.00 0.00 C ATOM 0 H LEU A 86 2.890 -3.727 -4.827 1.00 0.00 H new ATOM 0 HA LEU A 86 3.461 -0.940 -5.455 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.796 -3.527 -6.327 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.404 -1.913 -6.638 1.00 0.00 H new ATOM 0 HG LEU A 86 5.099 -3.234 -3.927 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.561 -3.083 -3.882 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.983 -4.070 -5.246 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.542 -2.404 -5.526 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.205 -1.230 -3.020 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.139 -0.472 -4.629 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.632 -0.844 -3.758 1.00 0.00 H new ATOM 1442 N GLY A 87 1.998 -2.960 -7.527 1.00 0.00 N ATOM 1443 CA GLY A 87 1.315 -3.025 -8.804 1.00 0.00 C ATOM 1444 C GLY A 87 2.241 -3.424 -9.935 1.00 0.00 C ATOM 1445 O GLY A 87 1.998 -3.081 -11.093 1.00 0.00 O ATOM 0 H GLY A 87 1.825 -3.754 -6.911 1.00 0.00 H new ATOM 0 HA2 GLY A 87 0.496 -3.741 -8.739 1.00 0.00 H new ATOM 0 HA3 GLY A 87 0.872 -2.054 -9.026 1.00 0.00 H new ATOM 1449 N ARG A 88 3.294 -4.163 -9.608 1.00 0.00 N ATOM 1450 CA ARG A 88 4.290 -4.551 -10.597 1.00 0.00 C ATOM 1451 C ARG A 88 5.061 -5.782 -10.130 1.00 0.00 C ATOM 1452 O ARG A 88 5.492 -5.846 -8.983 1.00 0.00 O ATOM 1453 CB ARG A 88 5.254 -3.384 -10.842 1.00 0.00 C ATOM 1454 CG ARG A 88 6.392 -3.693 -11.802 1.00 0.00 C ATOM 1455 CD ARG A 88 5.885 -4.106 -13.172 1.00 0.00 C ATOM 1456 NE ARG A 88 6.967 -4.171 -14.160 1.00 0.00 N ATOM 1457 CZ ARG A 88 7.556 -5.297 -14.557 1.00 0.00 C ATOM 1458 NH1 ARG A 88 7.247 -6.451 -13.985 1.00 0.00 N ATOM 1459 NH2 ARG A 88 8.471 -5.262 -15.518 1.00 0.00 N ATOM 0 H ARG A 88 3.480 -4.505 -8.665 1.00 0.00 H new ATOM 0 HA ARG A 88 3.782 -4.800 -11.529 1.00 0.00 H new ATOM 0 HB2 ARG A 88 4.688 -2.538 -11.231 1.00 0.00 H new ATOM 0 HB3 ARG A 88 5.677 -3.072 -9.887 1.00 0.00 H new ATOM 0 HG2 ARG A 88 7.031 -2.815 -11.901 1.00 0.00 H new ATOM 0 HG3 ARG A 88 7.009 -4.491 -11.388 1.00 0.00 H new ATOM 0 HD2 ARG A 88 5.400 -5.079 -13.101 1.00 0.00 H new ATOM 0 HD3 ARG A 88 5.129 -3.396 -13.508 1.00 0.00 H new ATOM 0 HE ARG A 88 7.290 -3.295 -14.570 1.00 0.00 H new ATOM 0 HH11 ARG A 88 6.555 -6.480 -13.236 1.00 0.00 H new ATOM 0 HH12 ARG A 88 7.701 -7.311 -14.293 1.00 0.00 H new ATOM 0 HH21 ARG A 88 8.722 -4.373 -15.951 1.00 0.00 H new ATOM 0 HH22 ARG A 88 8.923 -6.124 -15.823 1.00 0.00 H new ATOM 1473 N ALA A 89 5.217 -6.756 -11.025 1.00 0.00 N ATOM 1474 CA ALA A 89 5.998 -7.956 -10.736 1.00 0.00 C ATOM 1475 C ALA A 89 7.470 -7.602 -10.507 1.00 0.00 C ATOM 1476 O ALA A 89 7.953 -6.595 -11.029 1.00 0.00 O ATOM 1477 CB ALA A 89 5.860 -8.951 -11.884 1.00 0.00 C ATOM 0 H ALA A 89 4.811 -6.736 -11.960 1.00 0.00 H new ATOM 0 HA ALA A 89 5.615 -8.412 -9.823 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.444 -9.844 -11.664 1.00 0.00 H new ATOM 0 HB2 ALA A 89 4.812 -9.224 -12.005 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.225 -8.497 -12.805 1.00 0.00 H new ATOM 1483 N PRO A 90 8.188 -8.422 -9.717 1.00 0.00 N ATOM 1484 CA PRO A 90 9.606 -8.193 -9.392 1.00 0.00 C ATOM 1485 C PRO A 90 10.497 -8.055 -10.630 1.00 0.00 C ATOM 1486 O PRO A 90 10.226 -8.642 -11.682 1.00 0.00 O ATOM 1487 CB PRO A 90 9.998 -9.440 -8.594 1.00 0.00 C ATOM 1488 CG PRO A 90 8.719 -9.949 -8.033 1.00 0.00 C ATOM 1489 CD PRO A 90 7.670 -9.637 -9.061 1.00 0.00 C ATOM 0 HA PRO A 90 9.739 -7.256 -8.851 1.00 0.00 H new ATOM 0 HB2 PRO A 90 10.474 -10.184 -9.232 1.00 0.00 H new ATOM 0 HB3 PRO A 90 10.708 -9.197 -7.803 1.00 0.00 H new ATOM 0 HG2 PRO A 90 8.774 -11.021 -7.843 1.00 0.00 H new ATOM 0 HG3 PRO A 90 8.490 -9.468 -7.082 1.00 0.00 H new ATOM 0 HD2 PRO A 90 7.546 -10.455 -9.770 1.00 0.00 H new ATOM 0 HD3 PRO A 90 6.697 -9.463 -8.602 1.00 0.00 H new ATOM 1497 N TYR A 91 11.568 -7.283 -10.489 1.00 0.00 N ATOM 1498 CA TYR A 91 12.478 -7.022 -11.595 1.00 0.00 C ATOM 1499 C TYR A 91 13.711 -7.916 -11.520 1.00 0.00 C ATOM 1500 O TYR A 91 13.973 -8.696 -12.435 1.00 0.00 O ATOM 1501 CB TYR A 91 12.909 -5.554 -11.605 1.00 0.00 C ATOM 1502 CG TYR A 91 11.786 -4.585 -11.903 1.00 0.00 C ATOM 1503 CD1 TYR A 91 10.980 -4.086 -10.889 1.00 0.00 C ATOM 1504 CD2 TYR A 91 11.541 -4.164 -13.202 1.00 0.00 C ATOM 1505 CE1 TYR A 91 9.961 -3.197 -11.164 1.00 0.00 C ATOM 1506 CE2 TYR A 91 10.523 -3.277 -13.485 1.00 0.00 C ATOM 1507 CZ TYR A 91 9.737 -2.797 -12.464 1.00 0.00 C ATOM 1508 OH TYR A 91 8.724 -1.908 -12.743 1.00 0.00 O ATOM 0 H TYR A 91 11.827 -6.825 -9.615 1.00 0.00 H new ATOM 0 HA TYR A 91 11.943 -7.245 -12.518 1.00 0.00 H new ATOM 0 HB2 TYR A 91 13.341 -5.306 -10.635 1.00 0.00 H new ATOM 0 HB3 TYR A 91 13.696 -5.422 -12.348 1.00 0.00 H new ATOM 0 HD1 TYR A 91 11.153 -4.398 -9.870 1.00 0.00 H new ATOM 0 HD2 TYR A 91 12.158 -4.537 -14.006 1.00 0.00 H new ATOM 0 HE1 TYR A 91 9.342 -2.817 -10.365 1.00 0.00 H new ATOM 0 HE2 TYR A 91 10.344 -2.962 -14.502 1.00 0.00 H new ATOM 0 HH TYR A 91 8.701 -1.730 -13.706 1.00 0.00 H new ATOM 1518 N ASP A 92 14.466 -7.809 -10.432 1.00 0.00 N ATOM 1519 CA ASP A 92 15.705 -8.568 -10.305 1.00 0.00 C ATOM 1520 C ASP A 92 15.770 -9.298 -8.962 1.00 0.00 C ATOM 1521 O ASP A 92 14.754 -9.451 -8.285 1.00 0.00 O ATOM 1522 CB ASP A 92 16.927 -7.655 -10.507 1.00 0.00 C ATOM 1523 CG ASP A 92 17.234 -6.755 -9.324 1.00 0.00 C ATOM 1524 OD1 ASP A 92 16.651 -5.652 -9.231 1.00 0.00 O ATOM 1525 OD2 ASP A 92 18.088 -7.138 -8.498 1.00 0.00 O ATOM 0 H ASP A 92 14.246 -7.212 -9.635 1.00 0.00 H new ATOM 0 HA ASP A 92 15.720 -9.325 -11.089 1.00 0.00 H new ATOM 0 HB2 ASP A 92 17.799 -8.275 -10.713 1.00 0.00 H new ATOM 0 HB3 ASP A 92 16.761 -7.035 -11.388 1.00 0.00 H new ATOM 1530 N GLU A 93 16.957 -9.770 -8.592 1.00 0.00 N ATOM 1531 CA GLU A 93 17.120 -10.618 -7.414 1.00 0.00 C ATOM 1532 C GLU A 93 17.326 -9.801 -6.133 1.00 0.00 C ATOM 1533 O GLU A 93 16.888 -10.208 -5.055 1.00 0.00 O ATOM 1534 CB GLU A 93 18.314 -11.558 -7.619 1.00 0.00 C ATOM 1535 CG GLU A 93 18.420 -12.660 -6.575 1.00 0.00 C ATOM 1536 CD GLU A 93 17.346 -13.717 -6.731 1.00 0.00 C ATOM 1537 OE1 GLU A 93 16.181 -13.453 -6.371 1.00 0.00 O ATOM 1538 OE2 GLU A 93 17.663 -14.819 -7.228 1.00 0.00 O ATOM 0 H GLU A 93 17.824 -9.579 -9.093 1.00 0.00 H new ATOM 0 HA GLU A 93 16.201 -11.192 -7.294 1.00 0.00 H new ATOM 0 HB2 GLU A 93 18.240 -12.013 -8.607 1.00 0.00 H new ATOM 0 HB3 GLU A 93 19.232 -10.971 -7.607 1.00 0.00 H new ATOM 0 HG2 GLU A 93 19.401 -13.131 -6.647 1.00 0.00 H new ATOM 0 HG3 GLU A 93 18.350 -12.220 -5.580 1.00 0.00 H new ATOM 1545 N SER A 94 17.975 -8.645 -6.251 1.00 0.00 N ATOM 1546 CA SER A 94 18.379 -7.870 -5.077 1.00 0.00 C ATOM 1547 C SER A 94 17.170 -7.410 -4.265 1.00 0.00 C ATOM 1548 O SER A 94 17.222 -7.344 -3.037 1.00 0.00 O ATOM 1549 CB SER A 94 19.230 -6.664 -5.492 1.00 0.00 C ATOM 1550 OG SER A 94 18.519 -5.800 -6.368 1.00 0.00 O ATOM 0 H SER A 94 18.232 -8.224 -7.144 1.00 0.00 H new ATOM 0 HA SER A 94 18.979 -8.523 -4.444 1.00 0.00 H new ATOM 0 HB2 SER A 94 19.536 -6.111 -4.604 1.00 0.00 H new ATOM 0 HB3 SER A 94 20.140 -7.011 -5.981 1.00 0.00 H new ATOM 0 HG SER A 94 18.590 -6.134 -7.286 1.00 0.00 H new ATOM 1556 N GLU A 95 16.079 -7.112 -4.959 1.00 0.00 N ATOM 1557 CA GLU A 95 14.851 -6.673 -4.312 1.00 0.00 C ATOM 1558 C GLU A 95 14.255 -7.799 -3.470 1.00 0.00 C ATOM 1559 O GLU A 95 13.740 -7.568 -2.373 1.00 0.00 O ATOM 1560 CB GLU A 95 13.851 -6.194 -5.368 1.00 0.00 C ATOM 1561 CG GLU A 95 13.580 -7.222 -6.451 1.00 0.00 C ATOM 1562 CD GLU A 95 12.822 -6.650 -7.627 1.00 0.00 C ATOM 1563 OE1 GLU A 95 13.468 -6.083 -8.528 1.00 0.00 O ATOM 1564 OE2 GLU A 95 11.589 -6.769 -7.660 1.00 0.00 O ATOM 0 H GLU A 95 16.021 -7.167 -5.976 1.00 0.00 H new ATOM 0 HA GLU A 95 15.080 -5.842 -3.645 1.00 0.00 H new ATOM 0 HB2 GLU A 95 12.912 -5.937 -4.878 1.00 0.00 H new ATOM 0 HB3 GLU A 95 14.230 -5.282 -5.829 1.00 0.00 H new ATOM 0 HG2 GLU A 95 14.527 -7.633 -6.801 1.00 0.00 H new ATOM 0 HG3 GLU A 95 13.011 -8.049 -6.026 1.00 0.00 H new ATOM 1571 N VAL A 96 14.347 -9.021 -3.984 1.00 0.00 N ATOM 1572 CA VAL A 96 13.871 -10.193 -3.267 1.00 0.00 C ATOM 1573 C VAL A 96 14.726 -10.423 -2.027 1.00 0.00 C ATOM 1574 O VAL A 96 14.206 -10.589 -0.921 1.00 0.00 O ATOM 1575 CB VAL A 96 13.904 -11.453 -4.160 1.00 0.00 C ATOM 1576 CG1 VAL A 96 13.366 -12.664 -3.413 1.00 0.00 C ATOM 1577 CG2 VAL A 96 13.115 -11.216 -5.440 1.00 0.00 C ATOM 0 H VAL A 96 14.749 -9.223 -4.899 1.00 0.00 H new ATOM 0 HA VAL A 96 12.837 -10.010 -2.975 1.00 0.00 H new ATOM 0 HB VAL A 96 14.941 -11.657 -4.425 1.00 0.00 H new ATOM 0 HG11 VAL A 96 13.400 -13.538 -4.064 1.00 0.00 H new ATOM 0 HG12 VAL A 96 13.976 -12.846 -2.528 1.00 0.00 H new ATOM 0 HG13 VAL A 96 12.336 -12.477 -3.111 1.00 0.00 H new ATOM 0 HG21 VAL A 96 13.148 -12.113 -6.059 1.00 0.00 H new ATOM 0 HG22 VAL A 96 12.079 -10.984 -5.191 1.00 0.00 H new ATOM 0 HG23 VAL A 96 13.552 -10.381 -5.988 1.00 0.00 H new ATOM 1587 N ILE A 97 16.041 -10.395 -2.223 1.00 0.00 N ATOM 1588 CA ILE A 97 16.996 -10.555 -1.132 1.00 0.00 C ATOM 1589 C ILE A 97 16.756 -9.504 -0.050 1.00 0.00 C ATOM 1590 O ILE A 97 16.788 -9.805 1.143 1.00 0.00 O ATOM 1591 CB ILE A 97 18.447 -10.436 -1.643 1.00 0.00 C ATOM 1592 CG1 ILE A 97 18.709 -11.489 -2.722 1.00 0.00 C ATOM 1593 CG2 ILE A 97 19.437 -10.590 -0.494 1.00 0.00 C ATOM 1594 CD1 ILE A 97 20.079 -11.382 -3.353 1.00 0.00 C ATOM 0 H ILE A 97 16.472 -10.261 -3.138 1.00 0.00 H new ATOM 0 HA ILE A 97 16.850 -11.550 -0.711 1.00 0.00 H new ATOM 0 HB ILE A 97 18.584 -9.446 -2.077 1.00 0.00 H new ATOM 0 HG12 ILE A 97 18.596 -12.481 -2.285 1.00 0.00 H new ATOM 0 HG13 ILE A 97 17.952 -11.396 -3.500 1.00 0.00 H new ATOM 0 HG21 ILE A 97 20.454 -10.503 -0.876 1.00 0.00 H new ATOM 0 HG22 ILE A 97 19.259 -9.810 0.246 1.00 0.00 H new ATOM 0 HG23 ILE A 97 19.306 -11.567 -0.030 1.00 0.00 H new ATOM 0 HD11 ILE A 97 20.194 -12.160 -4.108 1.00 0.00 H new ATOM 0 HD12 ILE A 97 20.189 -10.403 -3.820 1.00 0.00 H new ATOM 0 HD13 ILE A 97 20.844 -11.506 -2.586 1.00 0.00 H new ATOM 1606 N PHE A 98 16.497 -8.274 -0.489 1.00 0.00 N ATOM 1607 CA PHE A 98 16.218 -7.165 0.417 1.00 0.00 C ATOM 1608 C PHE A 98 15.072 -7.500 1.369 1.00 0.00 C ATOM 1609 O PHE A 98 15.207 -7.358 2.581 1.00 0.00 O ATOM 1610 CB PHE A 98 15.889 -5.897 -0.381 1.00 0.00 C ATOM 1611 CG PHE A 98 15.458 -4.740 0.473 1.00 0.00 C ATOM 1612 CD1 PHE A 98 16.372 -4.072 1.271 1.00 0.00 C ATOM 1613 CD2 PHE A 98 14.139 -4.321 0.478 1.00 0.00 C ATOM 1614 CE1 PHE A 98 15.976 -3.009 2.059 1.00 0.00 C ATOM 1615 CE2 PHE A 98 13.736 -3.259 1.262 1.00 0.00 C ATOM 1616 CZ PHE A 98 14.656 -2.602 2.055 1.00 0.00 C ATOM 0 H PHE A 98 16.475 -8.020 -1.477 1.00 0.00 H new ATOM 0 HA PHE A 98 17.112 -6.988 1.015 1.00 0.00 H new ATOM 0 HB2 PHE A 98 16.766 -5.604 -0.958 1.00 0.00 H new ATOM 0 HB3 PHE A 98 15.098 -6.124 -1.096 1.00 0.00 H new ATOM 0 HD1 PHE A 98 17.405 -4.386 1.277 1.00 0.00 H new ATOM 0 HD2 PHE A 98 13.415 -4.832 -0.140 1.00 0.00 H new ATOM 0 HE1 PHE A 98 16.698 -2.496 2.678 1.00 0.00 H new ATOM 0 HE2 PHE A 98 12.703 -2.943 1.255 1.00 0.00 H new ATOM 0 HZ PHE A 98 14.344 -1.771 2.671 1.00 0.00 H new ATOM 1626 N HIS A 99 13.952 -7.964 0.824 1.00 0.00 N ATOM 1627 CA HIS A 99 12.780 -8.259 1.647 1.00 0.00 C ATOM 1628 C HIS A 99 13.029 -9.461 2.551 1.00 0.00 C ATOM 1629 O HIS A 99 12.483 -9.539 3.647 1.00 0.00 O ATOM 1630 CB HIS A 99 11.542 -8.495 0.782 1.00 0.00 C ATOM 1631 CG HIS A 99 10.968 -7.239 0.200 1.00 0.00 C ATOM 1632 ND1 HIS A 99 9.807 -6.660 0.659 1.00 0.00 N ATOM 1633 CD2 HIS A 99 11.398 -6.453 -0.814 1.00 0.00 C ATOM 1634 CE1 HIS A 99 9.547 -5.575 -0.041 1.00 0.00 C ATOM 1635 NE2 HIS A 99 10.499 -5.424 -0.947 1.00 0.00 N ATOM 0 H HIS A 99 13.829 -8.143 -0.173 1.00 0.00 H new ATOM 0 HA HIS A 99 12.598 -7.388 2.277 1.00 0.00 H new ATOM 0 HB2 HIS A 99 11.800 -9.176 -0.029 1.00 0.00 H new ATOM 0 HB3 HIS A 99 10.778 -8.989 1.383 1.00 0.00 H new ATOM 0 HD1 HIS A 99 9.235 -7.017 1.425 1.00 0.00 H new ATOM 0 HD2 HIS A 99 12.286 -6.607 -1.410 1.00 0.00 H new ATOM 0 HE1 HIS A 99 8.700 -4.920 0.101 1.00 0.00 H new ATOM 1644 N LEU A 100 13.861 -10.389 2.096 1.00 0.00 N ATOM 1645 CA LEU A 100 14.235 -11.534 2.918 1.00 0.00 C ATOM 1646 C LEU A 100 15.036 -11.071 4.129 1.00 0.00 C ATOM 1647 O LEU A 100 14.700 -11.393 5.269 1.00 0.00 O ATOM 1648 CB LEU A 100 15.050 -12.543 2.104 1.00 0.00 C ATOM 1649 CG LEU A 100 14.288 -13.232 0.971 1.00 0.00 C ATOM 1650 CD1 LEU A 100 15.232 -14.074 0.130 1.00 0.00 C ATOM 1651 CD2 LEU A 100 13.162 -14.092 1.529 1.00 0.00 C ATOM 0 H LEU A 100 14.287 -10.373 1.169 1.00 0.00 H new ATOM 0 HA LEU A 100 13.323 -12.023 3.260 1.00 0.00 H new ATOM 0 HB2 LEU A 100 15.914 -12.031 1.681 1.00 0.00 H new ATOM 0 HB3 LEU A 100 15.433 -13.307 2.781 1.00 0.00 H new ATOM 0 HG LEU A 100 13.851 -12.463 0.334 1.00 0.00 H new ATOM 0 HD11 LEU A 100 14.673 -14.557 -0.671 1.00 0.00 H new ATOM 0 HD12 LEU A 100 16.004 -13.436 -0.300 1.00 0.00 H new ATOM 0 HD13 LEU A 100 15.698 -14.834 0.757 1.00 0.00 H new ATOM 0 HD21 LEU A 100 12.631 -14.574 0.708 1.00 0.00 H new ATOM 0 HD22 LEU A 100 13.578 -14.853 2.189 1.00 0.00 H new ATOM 0 HD23 LEU A 100 12.469 -13.465 2.090 1.00 0.00 H new ATOM 1663 N ASP A 101 16.078 -10.289 3.869 1.00 0.00 N ATOM 1664 CA ASP A 101 16.937 -9.759 4.928 1.00 0.00 C ATOM 1665 C ASP A 101 16.140 -8.835 5.844 1.00 0.00 C ATOM 1666 O ASP A 101 16.309 -8.842 7.065 1.00 0.00 O ATOM 1667 CB ASP A 101 18.122 -9.006 4.313 1.00 0.00 C ATOM 1668 CG ASP A 101 19.135 -8.546 5.345 1.00 0.00 C ATOM 1669 OD1 ASP A 101 19.689 -9.404 6.066 1.00 0.00 O ATOM 1670 OD2 ASP A 101 19.399 -7.328 5.422 1.00 0.00 O ATOM 0 H ASP A 101 16.352 -10.005 2.928 1.00 0.00 H new ATOM 0 HA ASP A 101 17.318 -10.590 5.522 1.00 0.00 H new ATOM 0 HB2 ASP A 101 18.618 -9.651 3.588 1.00 0.00 H new ATOM 0 HB3 ASP A 101 17.750 -8.139 3.766 1.00 0.00 H new ATOM 1675 N LEU A 102 15.251 -8.061 5.235 1.00 0.00 N ATOM 1676 CA LEU A 102 14.375 -7.151 5.959 1.00 0.00 C ATOM 1677 C LEU A 102 13.452 -7.923 6.901 1.00 0.00 C ATOM 1678 O LEU A 102 13.235 -7.520 8.045 1.00 0.00 O ATOM 1679 CB LEU A 102 13.548 -6.339 4.956 1.00 0.00 C ATOM 1680 CG LEU A 102 12.622 -5.281 5.555 1.00 0.00 C ATOM 1681 CD1 LEU A 102 13.421 -4.220 6.290 1.00 0.00 C ATOM 1682 CD2 LEU A 102 11.782 -4.646 4.459 1.00 0.00 C ATOM 0 H LEU A 102 15.117 -8.047 4.224 1.00 0.00 H new ATOM 0 HA LEU A 102 14.984 -6.476 6.561 1.00 0.00 H new ATOM 0 HB2 LEU A 102 14.232 -5.846 4.265 1.00 0.00 H new ATOM 0 HB3 LEU A 102 12.945 -7.031 4.368 1.00 0.00 H new ATOM 0 HG LEU A 102 11.960 -5.766 6.273 1.00 0.00 H new ATOM 0 HD11 LEU A 102 12.741 -3.477 6.708 1.00 0.00 H new ATOM 0 HD12 LEU A 102 13.990 -4.685 7.095 1.00 0.00 H new ATOM 0 HD13 LEU A 102 14.106 -3.734 5.595 1.00 0.00 H new ATOM 0 HD21 LEU A 102 11.125 -3.893 4.894 1.00 0.00 H new ATOM 0 HD22 LEU A 102 12.437 -4.176 3.725 1.00 0.00 H new ATOM 0 HD23 LEU A 102 11.181 -5.413 3.970 1.00 0.00 H new ATOM 1694 N TYR A 103 12.926 -9.043 6.418 1.00 0.00 N ATOM 1695 CA TYR A 103 12.023 -9.867 7.210 1.00 0.00 C ATOM 1696 C TYR A 103 12.768 -10.569 8.341 1.00 0.00 C ATOM 1697 O TYR A 103 12.207 -10.802 9.412 1.00 0.00 O ATOM 1698 CB TYR A 103 11.313 -10.900 6.328 1.00 0.00 C ATOM 1699 CG TYR A 103 10.366 -11.797 7.095 1.00 0.00 C ATOM 1700 CD1 TYR A 103 9.159 -11.313 7.583 1.00 0.00 C ATOM 1701 CD2 TYR A 103 10.689 -13.124 7.347 1.00 0.00 C ATOM 1702 CE1 TYR A 103 8.300 -12.125 8.297 1.00 0.00 C ATOM 1703 CE2 TYR A 103 9.836 -13.940 8.063 1.00 0.00 C ATOM 1704 CZ TYR A 103 8.644 -13.437 8.535 1.00 0.00 C ATOM 1705 OH TYR A 103 7.797 -14.247 9.254 1.00 0.00 O ATOM 0 H TYR A 103 13.110 -9.401 5.481 1.00 0.00 H new ATOM 0 HA TYR A 103 11.274 -9.207 7.648 1.00 0.00 H new ATOM 0 HB2 TYR A 103 10.757 -10.380 5.548 1.00 0.00 H new ATOM 0 HB3 TYR A 103 12.061 -11.516 5.829 1.00 0.00 H new ATOM 0 HD1 TYR A 103 8.888 -10.284 7.401 1.00 0.00 H new ATOM 0 HD2 TYR A 103 11.622 -13.524 6.977 1.00 0.00 H new ATOM 0 HE1 TYR A 103 7.364 -11.733 8.667 1.00 0.00 H new ATOM 0 HE2 TYR A 103 10.103 -14.969 8.252 1.00 0.00 H new ATOM 0 HH TYR A 103 8.188 -15.142 9.331 1.00 0.00 H new ATOM 1715 N GLU A 104 14.025 -10.913 8.103 1.00 0.00 N ATOM 1716 CA GLU A 104 14.835 -11.562 9.125 1.00 0.00 C ATOM 1717 C GLU A 104 15.155 -10.593 10.258 1.00 0.00 C ATOM 1718 O GLU A 104 15.021 -10.934 11.434 1.00 0.00 O ATOM 1719 CB GLU A 104 16.134 -12.114 8.530 1.00 0.00 C ATOM 1720 CG GLU A 104 15.926 -13.262 7.558 1.00 0.00 C ATOM 1721 CD GLU A 104 17.233 -13.876 7.103 1.00 0.00 C ATOM 1722 OE1 GLU A 104 17.824 -13.381 6.122 1.00 0.00 O ATOM 1723 OE2 GLU A 104 17.683 -14.854 7.731 1.00 0.00 O ATOM 0 H GLU A 104 14.505 -10.755 7.217 1.00 0.00 H new ATOM 0 HA GLU A 104 14.256 -12.394 9.526 1.00 0.00 H new ATOM 0 HB2 GLU A 104 16.659 -11.308 8.018 1.00 0.00 H new ATOM 0 HB3 GLU A 104 16.780 -12.450 9.341 1.00 0.00 H new ATOM 0 HG2 GLU A 104 15.313 -14.029 8.031 1.00 0.00 H new ATOM 0 HG3 GLU A 104 15.374 -12.904 6.689 1.00 0.00 H new ATOM 1730 N ASN A 105 15.554 -9.380 9.904 1.00 0.00 N ATOM 1731 CA ASN A 105 16.006 -8.410 10.896 1.00 0.00 C ATOM 1732 C ASN A 105 14.845 -7.669 11.550 1.00 0.00 C ATOM 1733 O ASN A 105 14.691 -7.705 12.768 1.00 0.00 O ATOM 1734 CB ASN A 105 16.973 -7.400 10.271 1.00 0.00 C ATOM 1735 CG ASN A 105 18.259 -8.042 9.780 1.00 0.00 C ATOM 1736 OD1 ASN A 105 18.689 -9.080 10.289 1.00 0.00 O ATOM 1737 ND2 ASN A 105 18.888 -7.423 8.796 1.00 0.00 N ATOM 0 H ASN A 105 15.575 -9.043 8.942 1.00 0.00 H new ATOM 0 HA ASN A 105 16.523 -8.975 11.671 1.00 0.00 H new ATOM 0 HB2 ASN A 105 16.480 -6.900 9.437 1.00 0.00 H new ATOM 0 HB3 ASN A 105 17.213 -6.632 11.006 1.00 0.00 H new ATOM 0 HD21 ASN A 105 19.762 -7.802 8.431 1.00 0.00 H new ATOM 0 HD22 ASN A 105 18.500 -6.566 8.402 1.00 0.00 H new ATOM 1744 N GLU A 106 14.024 -6.999 10.747 1.00 0.00 N ATOM 1745 CA GLU A 106 12.975 -6.144 11.294 1.00 0.00 C ATOM 1746 C GLU A 106 11.606 -6.813 11.222 1.00 0.00 C ATOM 1747 O GLU A 106 10.758 -6.597 12.087 1.00 0.00 O ATOM 1748 CB GLU A 106 12.954 -4.795 10.577 1.00 0.00 C ATOM 1749 CG GLU A 106 14.302 -4.093 10.581 1.00 0.00 C ATOM 1750 CD GLU A 106 14.202 -2.628 10.221 1.00 0.00 C ATOM 1751 OE1 GLU A 106 13.668 -2.307 9.145 1.00 0.00 O ATOM 1752 OE2 GLU A 106 14.663 -1.785 11.018 1.00 0.00 O ATOM 0 H GLU A 106 14.063 -7.030 9.728 1.00 0.00 H new ATOM 0 HA GLU A 106 13.202 -5.977 12.347 1.00 0.00 H new ATOM 0 HB2 GLU A 106 12.632 -4.944 9.546 1.00 0.00 H new ATOM 0 HB3 GLU A 106 12.215 -4.150 11.052 1.00 0.00 H new ATOM 0 HG2 GLU A 106 14.754 -4.190 11.568 1.00 0.00 H new ATOM 0 HG3 GLU A 106 14.968 -4.591 9.876 1.00 0.00 H new ATOM 1759 N GLY A 107 11.383 -7.613 10.188 1.00 0.00 N ATOM 1760 CA GLY A 107 10.156 -8.383 10.109 1.00 0.00 C ATOM 1761 C GLY A 107 9.214 -7.904 9.023 1.00 0.00 C ATOM 1762 O GLY A 107 9.554 -7.028 8.225 1.00 0.00 O ATOM 0 H GLY A 107 12.025 -7.743 9.406 1.00 0.00 H new ATOM 0 HA2 GLY A 107 10.403 -9.429 9.930 1.00 0.00 H new ATOM 0 HA3 GLY A 107 9.644 -8.337 11.070 1.00 0.00 H new ATOM 1766 N PHE A 108 8.014 -8.474 9.012 1.00 0.00 N ATOM 1767 CA PHE A 108 7.027 -8.188 7.979 1.00 0.00 C ATOM 1768 C PHE A 108 6.474 -6.770 8.108 1.00 0.00 C ATOM 1769 O PHE A 108 5.927 -6.228 7.154 1.00 0.00 O ATOM 1770 CB PHE A 108 5.882 -9.213 8.023 1.00 0.00 C ATOM 1771 CG PHE A 108 5.113 -9.232 9.318 1.00 0.00 C ATOM 1772 CD1 PHE A 108 5.552 -9.990 10.393 1.00 0.00 C ATOM 1773 CD2 PHE A 108 3.944 -8.500 9.454 1.00 0.00 C ATOM 1774 CE1 PHE A 108 4.842 -10.013 11.578 1.00 0.00 C ATOM 1775 CE2 PHE A 108 3.230 -8.519 10.637 1.00 0.00 C ATOM 1776 CZ PHE A 108 3.680 -9.276 11.701 1.00 0.00 C ATOM 0 H PHE A 108 7.700 -9.143 9.715 1.00 0.00 H new ATOM 0 HA PHE A 108 7.530 -8.265 7.015 1.00 0.00 H new ATOM 0 HB2 PHE A 108 5.191 -9.002 7.207 1.00 0.00 H new ATOM 0 HB3 PHE A 108 6.293 -10.207 7.844 1.00 0.00 H new ATOM 0 HD1 PHE A 108 6.459 -10.569 10.303 1.00 0.00 H new ATOM 0 HD2 PHE A 108 3.587 -7.907 8.625 1.00 0.00 H new ATOM 0 HE1 PHE A 108 5.195 -10.607 12.408 1.00 0.00 H new ATOM 0 HE2 PHE A 108 2.321 -7.943 10.729 1.00 0.00 H new ATOM 0 HZ PHE A 108 3.125 -9.292 12.627 1.00 0.00 H new ATOM 1786 N ASP A 109 6.615 -6.175 9.288 1.00 0.00 N ATOM 1787 CA ASP A 109 6.124 -4.819 9.511 1.00 0.00 C ATOM 1788 C ASP A 109 6.882 -3.836 8.624 1.00 0.00 C ATOM 1789 O ASP A 109 6.282 -3.019 7.925 1.00 0.00 O ATOM 1790 CB ASP A 109 6.275 -4.420 10.980 1.00 0.00 C ATOM 1791 CG ASP A 109 5.530 -3.138 11.311 1.00 0.00 C ATOM 1792 OD1 ASP A 109 6.009 -2.049 10.949 1.00 0.00 O ATOM 1793 OD2 ASP A 109 4.456 -3.217 11.941 1.00 0.00 O ATOM 0 H ASP A 109 7.061 -6.605 10.098 1.00 0.00 H new ATOM 0 HA ASP A 109 5.065 -4.792 9.254 1.00 0.00 H new ATOM 0 HB2 ASP A 109 5.904 -5.226 11.613 1.00 0.00 H new ATOM 0 HB3 ASP A 109 7.332 -4.293 11.212 1.00 0.00 H new ATOM 1798 N ALA A 110 8.208 -3.951 8.635 1.00 0.00 N ATOM 1799 CA ALA A 110 9.060 -3.112 7.799 1.00 0.00 C ATOM 1800 C ALA A 110 8.918 -3.508 6.333 1.00 0.00 C ATOM 1801 O ALA A 110 9.084 -2.682 5.433 1.00 0.00 O ATOM 1802 CB ALA A 110 10.512 -3.212 8.245 1.00 0.00 C ATOM 0 H ALA A 110 8.716 -4.619 9.215 1.00 0.00 H new ATOM 0 HA ALA A 110 8.741 -2.075 7.909 1.00 0.00 H new ATOM 0 HB1 ALA A 110 11.132 -2.580 7.610 1.00 0.00 H new ATOM 0 HB2 ALA A 110 10.598 -2.882 9.280 1.00 0.00 H new ATOM 0 HB3 ALA A 110 10.847 -4.246 8.165 1.00 0.00 H new ATOM 1808 N ASP A 111 8.610 -4.782 6.104 1.00 0.00 N ATOM 1809 CA ASP A 111 8.318 -5.279 4.760 1.00 0.00 C ATOM 1810 C ASP A 111 7.149 -4.503 4.149 1.00 0.00 C ATOM 1811 O ASP A 111 7.105 -4.258 2.945 1.00 0.00 O ATOM 1812 CB ASP A 111 8.000 -6.778 4.814 1.00 0.00 C ATOM 1813 CG ASP A 111 7.462 -7.322 3.505 1.00 0.00 C ATOM 1814 OD1 ASP A 111 8.248 -7.455 2.544 1.00 0.00 O ATOM 1815 OD2 ASP A 111 6.250 -7.630 3.440 1.00 0.00 O ATOM 0 H ASP A 111 8.556 -5.492 6.834 1.00 0.00 H new ATOM 0 HA ASP A 111 9.195 -5.131 4.129 1.00 0.00 H new ATOM 0 HB2 ASP A 111 8.904 -7.325 5.083 1.00 0.00 H new ATOM 0 HB3 ASP A 111 7.270 -6.960 5.603 1.00 0.00 H new ATOM 1820 N ILE A 112 6.214 -4.099 4.999 1.00 0.00 N ATOM 1821 CA ILE A 112 5.082 -3.286 4.573 1.00 0.00 C ATOM 1822 C ILE A 112 5.525 -1.847 4.314 1.00 0.00 C ATOM 1823 O ILE A 112 5.135 -1.230 3.319 1.00 0.00 O ATOM 1824 CB ILE A 112 3.961 -3.290 5.637 1.00 0.00 C ATOM 1825 CG1 ILE A 112 3.549 -4.727 5.964 1.00 0.00 C ATOM 1826 CG2 ILE A 112 2.762 -2.480 5.158 1.00 0.00 C ATOM 1827 CD1 ILE A 112 2.641 -4.849 7.167 1.00 0.00 C ATOM 0 H ILE A 112 6.218 -4.323 5.994 1.00 0.00 H new ATOM 0 HA ILE A 112 4.694 -3.719 3.651 1.00 0.00 H new ATOM 0 HB ILE A 112 4.342 -2.824 6.546 1.00 0.00 H new ATOM 0 HG12 ILE A 112 3.046 -5.156 5.097 1.00 0.00 H new ATOM 0 HG13 ILE A 112 4.447 -5.321 6.138 1.00 0.00 H new ATOM 0 HG21 ILE A 112 1.984 -2.495 5.921 1.00 0.00 H new ATOM 0 HG22 ILE A 112 3.069 -1.451 4.973 1.00 0.00 H new ATOM 0 HG23 ILE A 112 2.374 -2.914 4.236 1.00 0.00 H new ATOM 0 HD11 ILE A 112 2.395 -5.898 7.332 1.00 0.00 H new ATOM 0 HD12 ILE A 112 3.147 -4.452 8.047 1.00 0.00 H new ATOM 0 HD13 ILE A 112 1.725 -4.285 6.990 1.00 0.00 H new ATOM 1839 N ASP A 113 6.362 -1.330 5.210 1.00 0.00 N ATOM 1840 CA ASP A 113 6.850 0.048 5.125 1.00 0.00 C ATOM 1841 C ASP A 113 7.686 0.290 3.876 1.00 0.00 C ATOM 1842 O ASP A 113 7.895 1.434 3.491 1.00 0.00 O ATOM 1843 CB ASP A 113 7.641 0.438 6.376 1.00 0.00 C ATOM 1844 CG ASP A 113 6.760 1.083 7.430 1.00 0.00 C ATOM 1845 OD1 ASP A 113 6.493 2.297 7.330 1.00 0.00 O ATOM 1846 OD2 ASP A 113 6.325 0.380 8.359 1.00 0.00 O ATOM 0 H ASP A 113 6.721 -1.849 6.012 1.00 0.00 H new ATOM 0 HA ASP A 113 5.967 0.684 5.059 1.00 0.00 H new ATOM 0 HB2 ASP A 113 8.117 -0.449 6.795 1.00 0.00 H new ATOM 0 HB3 ASP A 113 8.439 1.127 6.100 1.00 0.00 H new ATOM 1851 N SER A 114 8.180 -0.777 3.257 1.00 0.00 N ATOM 1852 CA SER A 114 8.950 -0.661 2.018 1.00 0.00 C ATOM 1853 C SER A 114 8.218 0.206 0.982 1.00 0.00 C ATOM 1854 O SER A 114 8.832 1.012 0.281 1.00 0.00 O ATOM 1855 CB SER A 114 9.225 -2.048 1.436 1.00 0.00 C ATOM 1856 OG SER A 114 9.930 -2.859 2.360 1.00 0.00 O ATOM 0 H SER A 114 8.062 -1.734 3.591 1.00 0.00 H new ATOM 0 HA SER A 114 9.896 -0.176 2.257 1.00 0.00 H new ATOM 0 HB2 SER A 114 8.283 -2.528 1.171 1.00 0.00 H new ATOM 0 HB3 SER A 114 9.803 -1.952 0.517 1.00 0.00 H new ATOM 0 HG SER A 114 10.019 -3.765 1.998 1.00 0.00 H new ATOM 1862 N TYR A 115 6.899 0.049 0.906 1.00 0.00 N ATOM 1863 CA TYR A 115 6.082 0.838 -0.015 1.00 0.00 C ATOM 1864 C TYR A 115 5.868 2.251 0.527 1.00 0.00 C ATOM 1865 O TYR A 115 5.757 3.218 -0.229 1.00 0.00 O ATOM 1866 CB TYR A 115 4.732 0.143 -0.239 1.00 0.00 C ATOM 1867 CG TYR A 115 3.713 0.982 -0.988 1.00 0.00 C ATOM 1868 CD1 TYR A 115 3.808 1.172 -2.360 1.00 0.00 C ATOM 1869 CD2 TYR A 115 2.657 1.586 -0.315 1.00 0.00 C ATOM 1870 CE1 TYR A 115 2.881 1.938 -3.043 1.00 0.00 C ATOM 1871 CE2 TYR A 115 1.726 2.352 -0.988 1.00 0.00 C ATOM 1872 CZ TYR A 115 1.842 2.526 -2.353 1.00 0.00 C ATOM 1873 OH TYR A 115 0.921 3.295 -3.025 1.00 0.00 O ATOM 0 H TYR A 115 6.372 -0.617 1.471 1.00 0.00 H new ATOM 0 HA TYR A 115 6.606 0.915 -0.968 1.00 0.00 H new ATOM 0 HB2 TYR A 115 4.900 -0.782 -0.791 1.00 0.00 H new ATOM 0 HB3 TYR A 115 4.315 -0.135 0.729 1.00 0.00 H new ATOM 0 HD1 TYR A 115 4.621 0.713 -2.904 1.00 0.00 H new ATOM 0 HD2 TYR A 115 2.563 1.454 0.753 1.00 0.00 H new ATOM 0 HE1 TYR A 115 2.970 2.075 -4.111 1.00 0.00 H new ATOM 0 HE2 TYR A 115 0.911 2.813 -0.450 1.00 0.00 H new ATOM 0 HH TYR A 115 0.254 3.634 -2.392 1.00 0.00 H new ATOM 1883 N ILE A 116 5.848 2.358 1.844 1.00 0.00 N ATOM 1884 CA ILE A 116 5.508 3.600 2.526 1.00 0.00 C ATOM 1885 C ILE A 116 6.729 4.517 2.638 1.00 0.00 C ATOM 1886 O ILE A 116 6.605 5.713 2.903 1.00 0.00 O ATOM 1887 CB ILE A 116 4.961 3.296 3.937 1.00 0.00 C ATOM 1888 CG1 ILE A 116 3.973 2.127 3.877 1.00 0.00 C ATOM 1889 CG2 ILE A 116 4.287 4.526 4.530 1.00 0.00 C ATOM 1890 CD1 ILE A 116 3.558 1.608 5.235 1.00 0.00 C ATOM 0 H ILE A 116 6.067 1.586 2.474 1.00 0.00 H new ATOM 0 HA ILE A 116 4.743 4.109 1.939 1.00 0.00 H new ATOM 0 HB ILE A 116 5.797 3.021 4.580 1.00 0.00 H new ATOM 0 HG12 ILE A 116 3.084 2.443 3.332 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.422 1.312 3.309 1.00 0.00 H new ATOM 0 HG21 ILE A 116 3.909 4.290 5.525 1.00 0.00 H new ATOM 0 HG22 ILE A 116 5.010 5.339 4.600 1.00 0.00 H new ATOM 0 HG23 ILE A 116 3.459 4.831 3.890 1.00 0.00 H new ATOM 0 HD11 ILE A 116 2.858 0.782 5.110 1.00 0.00 H new ATOM 0 HD12 ILE A 116 4.438 1.260 5.776 1.00 0.00 H new ATOM 0 HD13 ILE A 116 3.078 2.408 5.799 1.00 0.00 H new ATOM 1902 N ASP A 117 7.907 3.952 2.427 1.00 0.00 N ATOM 1903 CA ASP A 117 9.145 4.713 2.538 1.00 0.00 C ATOM 1904 C ASP A 117 9.578 5.257 1.181 1.00 0.00 C ATOM 1905 O ASP A 117 10.560 5.986 1.076 1.00 0.00 O ATOM 1906 CB ASP A 117 10.251 3.840 3.139 1.00 0.00 C ATOM 1907 CG ASP A 117 11.467 4.645 3.554 1.00 0.00 C ATOM 1908 OD1 ASP A 117 11.323 5.526 4.428 1.00 0.00 O ATOM 1909 OD2 ASP A 117 12.567 4.407 3.012 1.00 0.00 O ATOM 0 H ASP A 117 8.034 2.971 2.178 1.00 0.00 H new ATOM 0 HA ASP A 117 8.965 5.560 3.199 1.00 0.00 H new ATOM 0 HB2 ASP A 117 9.859 3.308 4.006 1.00 0.00 H new ATOM 0 HB3 ASP A 117 10.550 3.086 2.411 1.00 0.00 H new ATOM 1914 N SER A 118 8.835 4.910 0.141 1.00 0.00 N ATOM 1915 CA SER A 118 9.157 5.365 -1.204 1.00 0.00 C ATOM 1916 C SER A 118 8.151 6.420 -1.679 1.00 0.00 C ATOM 1917 O SER A 118 7.120 6.086 -2.266 1.00 0.00 O ATOM 1918 CB SER A 118 9.175 4.174 -2.166 1.00 0.00 C ATOM 1919 OG SER A 118 10.047 3.157 -1.698 1.00 0.00 O ATOM 0 H SER A 118 8.007 4.317 0.201 1.00 0.00 H new ATOM 0 HA SER A 118 10.145 5.824 -1.188 1.00 0.00 H new ATOM 0 HB2 SER A 118 8.167 3.773 -2.273 1.00 0.00 H new ATOM 0 HB3 SER A 118 9.493 4.505 -3.155 1.00 0.00 H new ATOM 0 HG SER A 118 9.558 2.559 -1.095 1.00 0.00 H new ATOM 1925 N PRO A 119 8.429 7.715 -1.416 1.00 0.00 N ATOM 1926 CA PRO A 119 7.503 8.809 -1.737 1.00 0.00 C ATOM 1927 C PRO A 119 7.270 8.956 -3.235 1.00 0.00 C ATOM 1928 O PRO A 119 6.129 9.068 -3.685 1.00 0.00 O ATOM 1929 CB PRO A 119 8.194 10.055 -1.170 1.00 0.00 C ATOM 1930 CG PRO A 119 9.634 9.688 -1.062 1.00 0.00 C ATOM 1931 CD PRO A 119 9.670 8.210 -0.791 1.00 0.00 C ATOM 0 HA PRO A 119 6.513 8.634 -1.316 1.00 0.00 H new ATOM 0 HB2 PRO A 119 8.055 10.915 -1.825 1.00 0.00 H new ATOM 0 HB3 PRO A 119 7.783 10.325 -0.198 1.00 0.00 H new ATOM 0 HG2 PRO A 119 10.167 9.928 -1.982 1.00 0.00 H new ATOM 0 HG3 PRO A 119 10.118 10.243 -0.259 1.00 0.00 H new ATOM 0 HD2 PRO A 119 10.553 7.743 -1.228 1.00 0.00 H new ATOM 0 HD3 PRO A 119 9.693 7.998 0.278 1.00 0.00 H new ATOM 1939 N GLU A 120 8.355 8.931 -3.998 1.00 0.00 N ATOM 1940 CA GLU A 120 8.287 9.062 -5.449 1.00 0.00 C ATOM 1941 C GLU A 120 7.415 7.970 -6.059 1.00 0.00 C ATOM 1942 O GLU A 120 6.529 8.249 -6.869 1.00 0.00 O ATOM 1943 CB GLU A 120 9.693 9.015 -6.051 1.00 0.00 C ATOM 1944 CG GLU A 120 10.553 7.885 -5.508 1.00 0.00 C ATOM 1945 CD GLU A 120 11.884 7.774 -6.218 1.00 0.00 C ATOM 1946 OE1 GLU A 120 12.720 8.689 -6.071 1.00 0.00 O ATOM 1947 OE2 GLU A 120 12.097 6.774 -6.932 1.00 0.00 O ATOM 0 H GLU A 120 9.301 8.820 -3.633 1.00 0.00 H new ATOM 0 HA GLU A 120 7.834 10.026 -5.681 1.00 0.00 H new ATOM 0 HB2 GLU A 120 9.612 8.910 -7.133 1.00 0.00 H new ATOM 0 HB3 GLU A 120 10.193 9.964 -5.859 1.00 0.00 H new ATOM 0 HG2 GLU A 120 10.725 8.044 -4.444 1.00 0.00 H new ATOM 0 HG3 GLU A 120 10.013 6.943 -5.606 1.00 0.00 H new ATOM 1954 N TYR A 121 7.648 6.732 -5.640 1.00 0.00 N ATOM 1955 CA TYR A 121 6.919 5.597 -6.180 1.00 0.00 C ATOM 1956 C TYR A 121 5.432 5.723 -5.873 1.00 0.00 C ATOM 1957 O TYR A 121 4.596 5.509 -6.745 1.00 0.00 O ATOM 1958 CB TYR A 121 7.468 4.285 -5.615 1.00 0.00 C ATOM 1959 CG TYR A 121 6.990 3.059 -6.361 1.00 0.00 C ATOM 1960 CD1 TYR A 121 7.624 2.649 -7.526 1.00 0.00 C ATOM 1961 CD2 TYR A 121 5.907 2.318 -5.906 1.00 0.00 C ATOM 1962 CE1 TYR A 121 7.193 1.533 -8.216 1.00 0.00 C ATOM 1963 CE2 TYR A 121 5.471 1.198 -6.593 1.00 0.00 C ATOM 1964 CZ TYR A 121 6.119 0.811 -7.747 1.00 0.00 C ATOM 1965 OH TYR A 121 5.693 -0.304 -8.435 1.00 0.00 O ATOM 0 H TYR A 121 8.337 6.491 -4.927 1.00 0.00 H new ATOM 0 HA TYR A 121 7.052 5.590 -7.262 1.00 0.00 H new ATOM 0 HB2 TYR A 121 8.557 4.315 -5.642 1.00 0.00 H new ATOM 0 HB3 TYR A 121 7.177 4.200 -4.568 1.00 0.00 H new ATOM 0 HD1 TYR A 121 8.467 3.211 -7.899 1.00 0.00 H new ATOM 0 HD2 TYR A 121 5.397 2.620 -5.003 1.00 0.00 H new ATOM 0 HE1 TYR A 121 7.697 1.228 -9.121 1.00 0.00 H new ATOM 0 HE2 TYR A 121 4.628 0.631 -6.227 1.00 0.00 H new ATOM 0 HH TYR A 121 4.751 -0.477 -8.226 1.00 0.00 H new ATOM 1975 N THR A 122 5.109 6.096 -4.638 1.00 0.00 N ATOM 1976 CA THR A 122 3.721 6.268 -4.236 1.00 0.00 C ATOM 1977 C THR A 122 3.070 7.406 -5.021 1.00 0.00 C ATOM 1978 O THR A 122 1.957 7.271 -5.513 1.00 0.00 O ATOM 1979 CB THR A 122 3.602 6.563 -2.726 1.00 0.00 C ATOM 1980 OG1 THR A 122 4.336 5.587 -1.974 1.00 0.00 O ATOM 1981 CG2 THR A 122 2.148 6.549 -2.283 1.00 0.00 C ATOM 0 H THR A 122 5.789 6.284 -3.902 1.00 0.00 H new ATOM 0 HA THR A 122 3.205 5.332 -4.452 1.00 0.00 H new ATOM 0 HB THR A 122 4.016 7.555 -2.543 1.00 0.00 H new ATOM 0 HG1 THR A 122 5.293 5.683 -2.160 1.00 0.00 H new ATOM 0 HG21 THR A 122 2.091 6.760 -1.215 1.00 0.00 H new ATOM 0 HG22 THR A 122 1.593 7.309 -2.833 1.00 0.00 H new ATOM 0 HG23 THR A 122 1.716 5.568 -2.483 1.00 0.00 H new ATOM 1989 N ASN A 123 3.791 8.510 -5.161 1.00 0.00 N ATOM 1990 CA ASN A 123 3.261 9.699 -5.821 1.00 0.00 C ATOM 1991 C ASN A 123 2.960 9.428 -7.295 1.00 0.00 C ATOM 1992 O ASN A 123 1.960 9.902 -7.833 1.00 0.00 O ATOM 1993 CB ASN A 123 4.245 10.863 -5.679 1.00 0.00 C ATOM 1994 CG ASN A 123 3.699 12.183 -6.206 1.00 0.00 C ATOM 1995 OD1 ASN A 123 4.454 13.032 -6.673 1.00 0.00 O ATOM 1996 ND2 ASN A 123 2.389 12.380 -6.119 1.00 0.00 N ATOM 0 H ASN A 123 4.749 8.609 -4.825 1.00 0.00 H new ATOM 0 HA ASN A 123 2.323 9.967 -5.335 1.00 0.00 H new ATOM 0 HB2 ASN A 123 4.508 10.981 -4.628 1.00 0.00 H new ATOM 0 HB3 ASN A 123 5.164 10.619 -6.212 1.00 0.00 H new ATOM 0 HD21 ASN A 123 1.982 13.257 -6.445 1.00 0.00 H new ATOM 0 HD22 ASN A 123 1.789 11.655 -5.726 1.00 0.00 H new ATOM 2003 N SER A 124 3.821 8.658 -7.947 1.00 0.00 N ATOM 2004 CA SER A 124 3.605 8.303 -9.342 1.00 0.00 C ATOM 2005 C SER A 124 2.513 7.238 -9.475 1.00 0.00 C ATOM 2006 O SER A 124 1.669 7.308 -10.368 1.00 0.00 O ATOM 2007 CB SER A 124 4.904 7.792 -9.967 1.00 0.00 C ATOM 2008 OG SER A 124 5.954 8.735 -9.827 1.00 0.00 O ATOM 0 H SER A 124 4.670 8.270 -7.535 1.00 0.00 H new ATOM 0 HA SER A 124 3.280 9.200 -9.870 1.00 0.00 H new ATOM 0 HB2 SER A 124 5.192 6.853 -9.494 1.00 0.00 H new ATOM 0 HB3 SER A 124 4.742 7.580 -11.024 1.00 0.00 H new ATOM 0 HG SER A 124 6.271 8.737 -8.900 1.00 0.00 H new ATOM 2014 N PHE A 125 2.522 6.267 -8.567 1.00 0.00 N ATOM 2015 CA PHE A 125 1.609 5.130 -8.643 1.00 0.00 C ATOM 2016 C PHE A 125 0.191 5.523 -8.233 1.00 0.00 C ATOM 2017 O PHE A 125 -0.783 5.074 -8.834 1.00 0.00 O ATOM 2018 CB PHE A 125 2.123 3.990 -7.756 1.00 0.00 C ATOM 2019 CG PHE A 125 1.278 2.751 -7.788 1.00 0.00 C ATOM 2020 CD1 PHE A 125 1.156 2.009 -8.952 1.00 0.00 C ATOM 2021 CD2 PHE A 125 0.610 2.328 -6.654 1.00 0.00 C ATOM 2022 CE1 PHE A 125 0.381 0.869 -8.980 1.00 0.00 C ATOM 2023 CE2 PHE A 125 -0.165 1.188 -6.677 1.00 0.00 C ATOM 2024 CZ PHE A 125 -0.281 0.458 -7.842 1.00 0.00 C ATOM 0 H PHE A 125 3.154 6.244 -7.767 1.00 0.00 H new ATOM 0 HA PHE A 125 1.572 4.793 -9.679 1.00 0.00 H new ATOM 0 HB2 PHE A 125 3.136 3.733 -8.066 1.00 0.00 H new ATOM 0 HB3 PHE A 125 2.186 4.346 -6.728 1.00 0.00 H new ATOM 0 HD1 PHE A 125 1.673 2.327 -9.846 1.00 0.00 H new ATOM 0 HD2 PHE A 125 0.696 2.897 -5.740 1.00 0.00 H new ATOM 0 HE1 PHE A 125 0.292 0.298 -9.893 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -0.681 0.867 -5.784 1.00 0.00 H new ATOM 0 HZ PHE A 125 -0.889 -0.434 -7.863 1.00 0.00 H new ATOM 2034 N GLY A 126 0.080 6.373 -7.223 1.00 0.00 N ATOM 2035 CA GLY A 126 -1.220 6.814 -6.770 1.00 0.00 C ATOM 2036 C GLY A 126 -1.273 7.016 -5.272 1.00 0.00 C ATOM 2037 O GLY A 126 -1.795 6.176 -4.545 1.00 0.00 O ATOM 0 H GLY A 126 0.869 6.765 -6.709 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -1.477 7.748 -7.269 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -1.971 6.080 -7.061 1.00 0.00 H new ATOM 2041 N ASP A 127 -0.736 8.139 -4.810 1.00 0.00 N ATOM 2042 CA ASP A 127 -0.757 8.476 -3.387 1.00 0.00 C ATOM 2043 C ASP A 127 -2.178 8.787 -2.923 1.00 0.00 C ATOM 2044 O ASP A 127 -2.469 8.780 -1.724 1.00 0.00 O ATOM 2045 CB ASP A 127 0.181 9.656 -3.098 1.00 0.00 C ATOM 2046 CG ASP A 127 -0.036 10.830 -4.035 1.00 0.00 C ATOM 2047 OD1 ASP A 127 0.348 10.729 -5.221 1.00 0.00 O ATOM 2048 OD2 ASP A 127 -0.570 11.865 -3.593 1.00 0.00 O ATOM 0 H ASP A 127 -0.279 8.835 -5.400 1.00 0.00 H new ATOM 0 HA ASP A 127 -0.401 7.611 -2.827 1.00 0.00 H new ATOM 0 HB2 ASP A 127 0.033 9.987 -2.070 1.00 0.00 H new ATOM 0 HB3 ASP A 127 1.215 9.320 -3.179 1.00 0.00 H new ATOM 2053 N TRP A 128 -3.054 9.054 -3.884 1.00 0.00 N ATOM 2054 CA TRP A 128 -4.473 9.243 -3.614 1.00 0.00 C ATOM 2055 C TRP A 128 -5.305 8.328 -4.511 1.00 0.00 C ATOM 2056 O TRP A 128 -6.456 8.622 -4.824 1.00 0.00 O ATOM 2057 CB TRP A 128 -4.882 10.707 -3.825 1.00 0.00 C ATOM 2058 CG TRP A 128 -4.505 11.613 -2.689 1.00 0.00 C ATOM 2059 CD1 TRP A 128 -3.325 12.274 -2.519 1.00 0.00 C ATOM 2060 CD2 TRP A 128 -5.323 11.959 -1.563 1.00 0.00 C ATOM 2061 NE1 TRP A 128 -3.355 13.008 -1.358 1.00 0.00 N ATOM 2062 CE2 TRP A 128 -4.571 12.831 -0.754 1.00 0.00 C ATOM 2063 CE3 TRP A 128 -6.618 11.618 -1.161 1.00 0.00 C ATOM 2064 CZ2 TRP A 128 -5.068 13.365 0.433 1.00 0.00 C ATOM 2065 CZ3 TRP A 128 -7.110 12.150 0.018 1.00 0.00 C ATOM 2066 CH2 TRP A 128 -6.337 13.015 0.801 1.00 0.00 C ATOM 0 H TRP A 128 -2.802 9.145 -4.868 1.00 0.00 H new ATOM 0 HA TRP A 128 -4.660 8.985 -2.572 1.00 0.00 H new ATOM 0 HB2 TRP A 128 -4.418 11.075 -4.740 1.00 0.00 H new ATOM 0 HB3 TRP A 128 -5.961 10.755 -3.973 1.00 0.00 H new ATOM 0 HD1 TRP A 128 -2.487 12.227 -3.199 1.00 0.00 H new ATOM 0 HE1 TRP A 128 -2.596 13.590 -1.004 1.00 0.00 H new ATOM 0 HE3 TRP A 128 -7.223 10.952 -1.759 1.00 0.00 H new ATOM 0 HZ2 TRP A 128 -4.473 14.031 1.040 1.00 0.00 H new ATOM 0 HZ3 TRP A 128 -8.108 11.893 0.340 1.00 0.00 H new ATOM 0 HH2 TRP A 128 -6.752 13.414 1.715 1.00 0.00 H new ATOM 2077 N VAL A 129 -4.719 7.204 -4.907 1.00 0.00 N ATOM 2078 CA VAL A 129 -5.388 6.249 -5.786 1.00 0.00 C ATOM 2079 C VAL A 129 -5.265 4.835 -5.217 1.00 0.00 C ATOM 2080 O VAL A 129 -4.278 4.514 -4.558 1.00 0.00 O ATOM 2081 CB VAL A 129 -4.794 6.294 -7.219 1.00 0.00 C ATOM 2082 CG1 VAL A 129 -5.497 5.312 -8.147 1.00 0.00 C ATOM 2083 CG2 VAL A 129 -4.874 7.701 -7.792 1.00 0.00 C ATOM 0 H VAL A 129 -3.776 6.930 -4.632 1.00 0.00 H new ATOM 0 HA VAL A 129 -6.441 6.525 -5.844 1.00 0.00 H new ATOM 0 HB VAL A 129 -3.747 6.001 -7.146 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -5.055 5.371 -9.142 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -5.384 4.300 -7.759 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -6.556 5.561 -8.206 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -4.452 7.709 -8.797 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -5.916 8.018 -7.833 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -4.311 8.385 -7.157 1.00 0.00 H new ATOM 2093 N VAL A 130 -6.278 4.003 -5.452 1.00 0.00 N ATOM 2094 CA VAL A 130 -6.256 2.621 -4.991 1.00 0.00 C ATOM 2095 C VAL A 130 -5.251 1.802 -5.798 1.00 0.00 C ATOM 2096 O VAL A 130 -5.295 1.792 -7.031 1.00 0.00 O ATOM 2097 CB VAL A 130 -7.653 1.965 -5.091 1.00 0.00 C ATOM 2098 CG1 VAL A 130 -7.613 0.518 -4.617 1.00 0.00 C ATOM 2099 CG2 VAL A 130 -8.670 2.753 -4.285 1.00 0.00 C ATOM 0 H VAL A 130 -7.123 4.264 -5.959 1.00 0.00 H new ATOM 0 HA VAL A 130 -5.956 2.635 -3.943 1.00 0.00 H new ATOM 0 HB VAL A 130 -7.953 1.973 -6.139 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -8.608 0.081 -4.698 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -6.917 -0.048 -5.235 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -7.285 0.484 -3.578 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -9.647 2.277 -4.367 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -8.365 2.778 -3.239 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -8.729 3.771 -4.670 1.00 0.00 H new ATOM 2109 N PRO A 131 -4.322 1.124 -5.102 1.00 0.00 N ATOM 2110 CA PRO A 131 -3.293 0.287 -5.732 1.00 0.00 C ATOM 2111 C PRO A 131 -3.873 -0.782 -6.655 1.00 0.00 C ATOM 2112 O PRO A 131 -4.737 -1.568 -6.257 1.00 0.00 O ATOM 2113 CB PRO A 131 -2.587 -0.371 -4.542 1.00 0.00 C ATOM 2114 CG PRO A 131 -2.830 0.553 -3.401 1.00 0.00 C ATOM 2115 CD PRO A 131 -4.192 1.137 -3.634 1.00 0.00 C ATOM 0 HA PRO A 131 -2.636 0.880 -6.369 1.00 0.00 H new ATOM 0 HB2 PRO A 131 -2.991 -1.363 -4.341 1.00 0.00 H new ATOM 0 HB3 PRO A 131 -1.521 -0.493 -4.732 1.00 0.00 H new ATOM 0 HG2 PRO A 131 -2.790 0.021 -2.451 1.00 0.00 H new ATOM 0 HG3 PRO A 131 -2.071 1.334 -3.361 1.00 0.00 H new ATOM 0 HD2 PRO A 131 -4.971 0.543 -3.156 1.00 0.00 H new ATOM 0 HD3 PRO A 131 -4.270 2.147 -3.233 1.00 0.00 H new ATOM 2123 N TYR A 132 -3.382 -0.805 -7.885 1.00 0.00 N ATOM 2124 CA TYR A 132 -3.814 -1.778 -8.873 1.00 0.00 C ATOM 2125 C TYR A 132 -2.597 -2.405 -9.546 1.00 0.00 C ATOM 2126 O TYR A 132 -1.611 -1.718 -9.817 1.00 0.00 O ATOM 2127 CB TYR A 132 -4.728 -1.120 -9.920 1.00 0.00 C ATOM 2128 CG TYR A 132 -4.054 -0.048 -10.756 1.00 0.00 C ATOM 2129 CD1 TYR A 132 -3.761 1.201 -10.221 1.00 0.00 C ATOM 2130 CD2 TYR A 132 -3.717 -0.285 -12.084 1.00 0.00 C ATOM 2131 CE1 TYR A 132 -3.153 2.180 -10.983 1.00 0.00 C ATOM 2132 CE2 TYR A 132 -3.109 0.688 -12.852 1.00 0.00 C ATOM 2133 CZ TYR A 132 -2.828 1.919 -12.296 1.00 0.00 C ATOM 2134 OH TYR A 132 -2.222 2.892 -13.058 1.00 0.00 O ATOM 0 H TYR A 132 -2.676 -0.152 -8.224 1.00 0.00 H new ATOM 0 HA TYR A 132 -4.384 -2.559 -8.370 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -5.114 -1.893 -10.585 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -5.586 -0.681 -9.411 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -4.013 1.410 -9.192 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -3.935 -1.248 -12.523 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -2.934 3.145 -10.551 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -2.855 0.487 -13.882 1.00 0.00 H new ATOM 0 HH TYR A 132 -2.059 2.547 -13.960 1.00 0.00 H new ATOM 2144 N TYR A 133 -2.658 -3.700 -9.808 1.00 0.00 N ATOM 2145 CA TYR A 133 -1.527 -4.399 -10.401 1.00 0.00 C ATOM 2146 C TYR A 133 -1.494 -4.249 -11.920 1.00 0.00 C ATOM 2147 O TYR A 133 -2.327 -4.811 -12.633 1.00 0.00 O ATOM 2148 CB TYR A 133 -1.499 -5.879 -9.996 1.00 0.00 C ATOM 2149 CG TYR A 133 -2.851 -6.562 -9.906 1.00 0.00 C ATOM 2150 CD1 TYR A 133 -3.486 -7.053 -11.038 1.00 0.00 C ATOM 2151 CD2 TYR A 133 -3.475 -6.740 -8.677 1.00 0.00 C ATOM 2152 CE1 TYR A 133 -4.704 -7.703 -10.949 1.00 0.00 C ATOM 2153 CE2 TYR A 133 -4.695 -7.383 -8.580 1.00 0.00 C ATOM 2154 CZ TYR A 133 -5.305 -7.864 -9.719 1.00 0.00 C ATOM 2155 OH TYR A 133 -6.511 -8.524 -9.631 1.00 0.00 O ATOM 0 H TYR A 133 -3.472 -4.286 -9.622 1.00 0.00 H new ATOM 0 HA TYR A 133 -0.627 -3.928 -10.006 1.00 0.00 H new ATOM 0 HB2 TYR A 133 -0.885 -6.422 -10.715 1.00 0.00 H new ATOM 0 HB3 TYR A 133 -1.005 -5.963 -9.028 1.00 0.00 H new ATOM 0 HD1 TYR A 133 -3.022 -6.926 -12.005 1.00 0.00 H new ATOM 0 HD2 TYR A 133 -2.998 -6.369 -7.782 1.00 0.00 H new ATOM 0 HE1 TYR A 133 -5.182 -8.083 -11.840 1.00 0.00 H new ATOM 0 HE2 TYR A 133 -5.168 -7.508 -7.617 1.00 0.00 H new ATOM 0 HH TYR A 133 -6.800 -8.554 -8.695 1.00 0.00 H new ATOM 2165 N ARG A 134 -0.521 -3.464 -12.383 1.00 0.00 N ATOM 2166 CA ARG A 134 -0.254 -3.246 -13.807 1.00 0.00 C ATOM 2167 C ARG A 134 -1.373 -2.447 -14.483 1.00 0.00 C ATOM 2168 O ARG A 134 -1.188 -1.281 -14.831 1.00 0.00 O ATOM 2169 CB ARG A 134 -0.007 -4.582 -14.522 1.00 0.00 C ATOM 2170 CG ARG A 134 0.485 -4.426 -15.949 1.00 0.00 C ATOM 2171 CD ARG A 134 0.950 -5.748 -16.535 1.00 0.00 C ATOM 2172 NE ARG A 134 -0.117 -6.747 -16.574 1.00 0.00 N ATOM 2173 CZ ARG A 134 -0.758 -7.104 -17.682 1.00 0.00 C ATOM 2174 NH1 ARG A 134 -0.457 -6.528 -18.840 1.00 0.00 N ATOM 2175 NH2 ARG A 134 -1.693 -8.042 -17.626 1.00 0.00 N ATOM 0 H ARG A 134 0.115 -2.953 -11.770 1.00 0.00 H new ATOM 0 HA ARG A 134 0.653 -2.646 -13.885 1.00 0.00 H new ATOM 0 HB2 ARG A 134 0.725 -5.158 -13.955 1.00 0.00 H new ATOM 0 HB3 ARG A 134 -0.932 -5.158 -14.527 1.00 0.00 H new ATOM 0 HG2 ARG A 134 -0.315 -4.017 -16.566 1.00 0.00 H new ATOM 0 HG3 ARG A 134 1.306 -3.709 -15.974 1.00 0.00 H new ATOM 0 HD2 ARG A 134 1.326 -5.582 -17.545 1.00 0.00 H new ATOM 0 HD3 ARG A 134 1.782 -6.132 -15.944 1.00 0.00 H new ATOM 0 HE ARG A 134 -0.385 -7.197 -15.699 1.00 0.00 H new ATOM 0 HH11 ARG A 134 0.267 -5.811 -18.880 1.00 0.00 H new ATOM 0 HH12 ARG A 134 -0.950 -6.803 -19.690 1.00 0.00 H new ATOM 0 HH21 ARG A 134 -1.917 -8.486 -16.735 1.00 0.00 H new ATOM 0 HH22 ARG A 134 -2.188 -8.320 -18.473 1.00 0.00 H new