USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 608 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 50 THR OG1 : rot -130:sc= 0.075 USER MOD Set 1.2: A 53 LYS NZ :NH3+ -172:sc= 0.00937 (180deg=-0.0642) USER MOD Set 2.1: A 37 HIS : no HD1:sc= 0.363 K(o=1.5,f=-3.3) USER MOD Set 2.2: A 49 TYR OH : rot 124:sc= 1.15 USER MOD Set 3.1: A 29 SER OG : rot 9:sc= 1.08 USER MOD Set 3.2: A 31 GLN : amide:sc= -3.44 K(o=-2.4,f=-7.9!) USER MOD Single : A 1 MET CE :methyl 162:sc= -0.107 (180deg=-0.543) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -120:sc= -1.07 USER MOD Single : A 8 LYS NZ :NH3+ -161:sc= -0.322 (180deg=-0.927) USER MOD Single : A 12 LYS NZ :NH3+ -164:sc= 0.329 (180deg=0.218) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.276 X(o=-0.28,f=0) USER MOD Single : A 20 TYR OH : rot 100:sc= -0.976 USER MOD Single : A 35 THR OG1 : rot 117:sc= 0.377 USER MOD Single : A 41 THR OG1 : rot 10:sc= -0.0469 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 15:sc= -0.0627 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0313) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot -28:sc= -0.885 USER MOD Single : A 66 HIS : no HD1:sc= -1.73 K(o=-1.7,f=-0.35) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.235 19.247 3.222 1.00 0.00 N ATOM 2 CA MET A 1 -11.098 18.068 2.947 1.00 0.00 C ATOM 3 C MET A 1 -10.271 16.876 2.479 1.00 0.00 C ATOM 4 O MET A 1 -9.790 16.847 1.346 1.00 0.00 O ATOM 5 CB MET A 1 -12.121 18.453 1.877 1.00 0.00 C ATOM 6 CG MET A 1 -13.347 17.554 1.855 1.00 0.00 C ATOM 7 SD MET A 1 -14.552 18.055 0.610 1.00 0.00 S ATOM 8 CE MET A 1 -13.622 17.778 -0.893 1.00 0.00 C ATOM 0 H1 MET A 1 -10.825 20.043 3.539 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.548 19.008 3.965 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.728 19.516 2.355 1.00 0.00 H new ATOM 0 HA MET A 1 -11.606 17.774 3.866 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.439 19.482 2.044 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.641 18.422 0.899 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.037 16.527 1.662 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.819 17.565 2.837 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.306 17.730 -1.740 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.918 18.597 -1.041 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.075 16.839 -0.814 1.00 0.00 H new ATOM 20 N THR A 2 -10.109 15.893 3.359 1.00 0.00 N ATOM 21 CA THR A 2 -9.338 14.697 3.036 1.00 0.00 C ATOM 22 C THR A 2 -9.693 13.551 3.979 1.00 0.00 C ATOM 23 O THR A 2 -9.181 13.471 5.094 1.00 0.00 O ATOM 24 CB THR A 2 -7.840 14.994 3.117 1.00 0.00 C ATOM 25 OG1 THR A 2 -7.085 13.800 3.000 1.00 0.00 O ATOM 26 CG2 THR A 2 -7.433 15.670 4.408 1.00 0.00 C ATOM 0 H THR A 2 -10.501 15.901 4.301 1.00 0.00 H new ATOM 0 HA THR A 2 -9.587 14.397 2.018 1.00 0.00 H new ATOM 0 HB THR A 2 -7.635 15.674 2.290 1.00 0.00 H new ATOM 0 HG1 THR A 2 -6.129 14.011 3.053 1.00 0.00 H new ATOM 0 HG21 THR A 2 -6.358 15.852 4.400 1.00 0.00 H new ATOM 0 HG22 THR A 2 -7.961 16.619 4.504 1.00 0.00 H new ATOM 0 HG23 THR A 2 -7.686 15.027 5.251 1.00 0.00 H new ATOM 34 N ARG A 3 -10.572 12.665 3.520 1.00 0.00 N ATOM 35 CA ARG A 3 -10.994 11.523 4.323 1.00 0.00 C ATOM 36 C ARG A 3 -10.633 10.211 3.634 1.00 0.00 C ATOM 37 O ARG A 3 -11.135 9.907 2.552 1.00 0.00 O ATOM 38 CB ARG A 3 -12.502 11.581 4.580 1.00 0.00 C ATOM 39 CG ARG A 3 -12.869 12.244 5.898 1.00 0.00 C ATOM 40 CD ARG A 3 -14.357 12.545 5.978 1.00 0.00 C ATOM 41 NE ARG A 3 -14.616 13.915 6.413 1.00 0.00 N ATOM 42 CZ ARG A 3 -14.531 14.976 5.614 1.00 0.00 C ATOM 43 NH1 ARG A 3 -14.195 14.829 4.340 1.00 0.00 N ATOM 44 NH2 ARG A 3 -14.782 16.187 6.092 1.00 0.00 N ATOM 0 H ARG A 3 -11.005 12.716 2.598 1.00 0.00 H new ATOM 0 HA ARG A 3 -10.469 11.568 5.277 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -12.981 12.123 3.764 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -12.904 10.568 4.568 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -12.584 11.594 6.725 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -12.304 13.169 6.010 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -14.813 12.383 5.001 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -14.831 11.849 6.670 1.00 0.00 H new ATOM 0 HE ARG A 3 -14.878 14.068 7.387 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -14.000 13.899 3.968 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -14.131 15.645 3.732 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -15.040 16.305 7.072 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -14.717 17.000 5.480 1.00 0.00 H new ATOM 58 N TRP A 4 -9.757 9.440 4.267 1.00 0.00 N ATOM 59 CA TRP A 4 -9.322 8.159 3.719 1.00 0.00 C ATOM 60 C TRP A 4 -10.451 7.133 3.765 1.00 0.00 C ATOM 61 O TRP A 4 -10.966 6.812 4.836 1.00 0.00 O ATOM 62 CB TRP A 4 -8.114 7.634 4.497 1.00 0.00 C ATOM 63 CG TRP A 4 -6.803 8.144 3.982 1.00 0.00 C ATOM 64 CD1 TRP A 4 -6.452 9.443 3.776 1.00 0.00 C ATOM 65 CD2 TRP A 4 -5.668 7.359 3.614 1.00 0.00 C ATOM 66 NE1 TRP A 4 -5.163 9.515 3.300 1.00 0.00 N ATOM 67 CE2 TRP A 4 -4.662 8.246 3.193 1.00 0.00 C ATOM 68 CE3 TRP A 4 -5.408 5.993 3.601 1.00 0.00 C ATOM 69 CZ2 TRP A 4 -3.413 7.802 2.763 1.00 0.00 C ATOM 70 CZ3 TRP A 4 -4.171 5.551 3.175 1.00 0.00 C ATOM 71 CH2 TRP A 4 -3.185 6.454 2.762 1.00 0.00 C ATOM 0 H TRP A 4 -9.332 9.680 5.163 1.00 0.00 H new ATOM 0 HA TRP A 4 -9.039 8.316 2.678 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -8.217 7.914 5.545 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -8.112 6.545 4.457 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -7.092 10.293 3.959 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -4.663 10.373 3.066 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -6.162 5.288 3.919 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -2.652 8.498 2.442 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -3.961 4.492 3.160 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -2.226 6.079 2.436 1.00 0.00 H new ATOM 82 N VAL A 5 -10.824 6.614 2.599 1.00 0.00 N ATOM 83 CA VAL A 5 -11.887 5.617 2.516 1.00 0.00 C ATOM 84 C VAL A 5 -11.474 4.322 3.208 1.00 0.00 C ATOM 85 O VAL A 5 -10.286 4.076 3.422 1.00 0.00 O ATOM 86 CB VAL A 5 -12.275 5.311 1.054 1.00 0.00 C ATOM 87 CG1 VAL A 5 -13.233 6.367 0.524 1.00 0.00 C ATOM 88 CG2 VAL A 5 -11.041 5.214 0.171 1.00 0.00 C ATOM 0 H VAL A 5 -10.408 6.866 1.702 1.00 0.00 H new ATOM 0 HA VAL A 5 -12.754 6.040 3.023 1.00 0.00 H new ATOM 0 HB VAL A 5 -12.780 4.345 1.033 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -13.496 6.135 -0.508 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -14.136 6.378 1.134 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -12.755 7.346 0.565 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -11.343 4.998 -0.854 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -10.499 6.159 0.198 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -10.395 4.415 0.535 1.00 0.00 H new ATOM 98 N PRO A 6 -12.449 3.475 3.578 1.00 0.00 N ATOM 99 CA PRO A 6 -12.182 2.203 4.260 1.00 0.00 C ATOM 100 C PRO A 6 -11.268 1.278 3.453 1.00 0.00 C ATOM 101 O PRO A 6 -10.056 1.250 3.673 1.00 0.00 O ATOM 102 CB PRO A 6 -13.577 1.580 4.431 1.00 0.00 C ATOM 103 CG PRO A 6 -14.439 2.296 3.448 1.00 0.00 C ATOM 104 CD PRO A 6 -13.890 3.689 3.373 1.00 0.00 C ATOM 0 HA PRO A 6 -11.656 2.356 5.202 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -13.558 0.508 4.233 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -13.946 1.710 5.448 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -14.410 1.810 2.473 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -15.480 2.301 3.770 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -14.098 4.156 2.410 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -14.317 4.335 4.140 1.00 0.00 H new ATOM 112 N THR A 7 -11.848 0.518 2.523 1.00 0.00 N ATOM 113 CA THR A 7 -11.078 -0.409 1.695 1.00 0.00 C ATOM 114 C THR A 7 -10.113 -1.237 2.543 1.00 0.00 C ATOM 115 O THR A 7 -8.947 -1.406 2.189 1.00 0.00 O ATOM 116 CB THR A 7 -10.302 0.353 0.619 1.00 0.00 C ATOM 117 OG1 THR A 7 -10.885 1.622 0.382 1.00 0.00 O ATOM 118 CG2 THR A 7 -10.243 -0.378 -0.707 1.00 0.00 C ATOM 0 H THR A 7 -12.849 0.527 2.325 1.00 0.00 H new ATOM 0 HA THR A 7 -11.782 -1.088 1.214 1.00 0.00 H new ATOM 0 HB THR A 7 -9.289 0.450 1.009 1.00 0.00 H new ATOM 0 HG1 THR A 7 -11.163 1.684 -0.556 1.00 0.00 H new ATOM 0 HG21 THR A 7 -9.679 0.217 -1.425 1.00 0.00 H new ATOM 0 HG22 THR A 7 -9.753 -1.342 -0.570 1.00 0.00 H new ATOM 0 HG23 THR A 7 -11.255 -0.535 -1.081 1.00 0.00 H new ATOM 126 N LYS A 8 -10.609 -1.747 3.666 1.00 0.00 N ATOM 127 CA LYS A 8 -9.791 -2.553 4.566 1.00 0.00 C ATOM 128 C LYS A 8 -10.259 -4.005 4.582 1.00 0.00 C ATOM 129 O LYS A 8 -11.424 -4.297 4.304 1.00 0.00 O ATOM 130 CB LYS A 8 -9.836 -1.977 5.982 1.00 0.00 C ATOM 131 CG LYS A 8 -11.245 -1.764 6.508 1.00 0.00 C ATOM 132 CD LYS A 8 -11.234 -1.187 7.915 1.00 0.00 C ATOM 133 CE LYS A 8 -10.852 -2.238 8.945 1.00 0.00 C ATOM 134 NZ LYS A 8 -11.616 -3.502 8.757 1.00 0.00 N ATOM 0 H LYS A 8 -11.572 -1.617 3.974 1.00 0.00 H new ATOM 0 HA LYS A 8 -8.765 -2.527 4.200 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -9.304 -2.649 6.655 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -9.305 -1.025 5.995 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -11.785 -1.091 5.842 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -11.782 -2.713 6.507 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -10.530 -0.356 7.963 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -12.219 -0.785 8.152 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -9.784 -2.445 8.874 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -11.035 -1.848 9.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -11.580 -4.063 9.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -12.606 -3.279 8.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -11.196 -4.049 7.978 1.00 0.00 H new ATOM 148 N ARG A 9 -9.344 -4.911 4.909 1.00 0.00 N ATOM 149 CA ARG A 9 -9.658 -6.336 4.965 1.00 0.00 C ATOM 150 C ARG A 9 -10.205 -6.828 3.628 1.00 0.00 C ATOM 151 O ARG A 9 -11.068 -7.705 3.585 1.00 0.00 O ATOM 152 CB ARG A 9 -10.671 -6.614 6.078 1.00 0.00 C ATOM 153 CG ARG A 9 -10.408 -7.912 6.826 1.00 0.00 C ATOM 154 CD ARG A 9 -10.593 -7.743 8.327 1.00 0.00 C ATOM 155 NE ARG A 9 -9.384 -8.094 9.070 1.00 0.00 N ATOM 156 CZ ARG A 9 -9.150 -7.717 10.325 1.00 0.00 C ATOM 157 NH1 ARG A 9 -10.037 -6.979 10.981 1.00 0.00 N ATOM 158 NH2 ARG A 9 -8.024 -8.079 10.926 1.00 0.00 N ATOM 0 H ARG A 9 -8.377 -4.684 5.140 1.00 0.00 H new ATOM 0 HA ARG A 9 -8.736 -6.876 5.179 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -10.657 -5.786 6.787 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -11.672 -6.648 5.648 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -11.083 -8.686 6.461 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -9.393 -8.252 6.620 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -10.866 -6.710 8.545 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -11.420 -8.369 8.663 1.00 0.00 H new ATOM 0 HE ARG A 9 -8.679 -8.661 8.599 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -10.904 -6.697 10.524 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -9.852 -6.694 11.943 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -7.339 -8.646 10.426 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -7.844 -7.791 11.888 1.00 0.00 H new ATOM 172 N GLU A 10 -9.693 -6.261 2.541 1.00 0.00 N ATOM 173 CA GLU A 10 -10.129 -6.644 1.203 1.00 0.00 C ATOM 174 C GLU A 10 -9.490 -7.964 0.781 1.00 0.00 C ATOM 175 O GLU A 10 -8.366 -7.986 0.277 1.00 0.00 O ATOM 176 CB GLU A 10 -9.777 -5.548 0.196 1.00 0.00 C ATOM 177 CG GLU A 10 -10.370 -5.777 -1.185 1.00 0.00 C ATOM 178 CD GLU A 10 -11.595 -4.922 -1.442 1.00 0.00 C ATOM 179 OE1 GLU A 10 -12.589 -5.071 -0.699 1.00 0.00 O ATOM 180 OE2 GLU A 10 -11.562 -4.104 -2.385 1.00 0.00 O ATOM 0 H GLU A 10 -8.976 -5.535 2.560 1.00 0.00 H new ATOM 0 HA GLU A 10 -11.211 -6.774 1.223 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.127 -4.589 0.578 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.693 -5.480 0.110 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.615 -5.561 -1.941 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.636 -6.829 -1.292 1.00 0.00 H new ATOM 187 N GLU A 11 -10.213 -9.060 0.990 1.00 0.00 N ATOM 188 CA GLU A 11 -9.718 -10.387 0.633 1.00 0.00 C ATOM 189 C GLU A 11 -8.535 -10.781 1.512 1.00 0.00 C ATOM 190 O GLU A 11 -8.658 -11.637 2.390 1.00 0.00 O ATOM 191 CB GLU A 11 -9.314 -10.427 -0.844 1.00 0.00 C ATOM 192 CG GLU A 11 -9.929 -11.588 -1.610 1.00 0.00 C ATOM 193 CD GLU A 11 -11.351 -11.306 -2.051 1.00 0.00 C ATOM 194 OE1 GLU A 11 -11.530 -10.707 -3.133 1.00 0.00 O ATOM 195 OE2 GLU A 11 -12.288 -11.684 -1.315 1.00 0.00 O ATOM 0 H GLU A 11 -11.145 -9.056 1.405 1.00 0.00 H new ATOM 0 HA GLU A 11 -10.522 -11.104 0.798 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.610 -9.491 -1.319 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.228 -10.491 -0.914 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -9.317 -11.806 -2.485 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.917 -12.479 -0.983 1.00 0.00 H new ATOM 202 N LYS A 12 -7.388 -10.154 1.270 1.00 0.00 N ATOM 203 CA LYS A 12 -6.183 -10.439 2.041 1.00 0.00 C ATOM 204 C LYS A 12 -5.088 -9.422 1.734 1.00 0.00 C ATOM 205 O LYS A 12 -4.737 -8.600 2.581 1.00 0.00 O ATOM 206 CB LYS A 12 -5.684 -11.856 1.738 1.00 0.00 C ATOM 207 CG LYS A 12 -5.808 -12.809 2.917 1.00 0.00 C ATOM 208 CD LYS A 12 -5.999 -14.244 2.456 1.00 0.00 C ATOM 209 CE LYS A 12 -6.990 -14.986 3.337 1.00 0.00 C ATOM 210 NZ LYS A 12 -8.399 -14.705 2.945 1.00 0.00 N ATOM 0 H LYS A 12 -7.268 -9.445 0.546 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.431 -10.368 3.100 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.247 -12.258 0.895 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.640 -11.807 1.429 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.914 -12.741 3.537 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.651 -12.511 3.540 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.351 -14.252 1.424 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.040 -14.762 2.469 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.802 -16.058 3.272 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.838 -14.698 4.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -9.038 -14.997 3.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.514 -13.687 2.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.631 -15.235 2.081 1.00 0.00 H new ATOM 224 N TYR A 13 -4.554 -9.481 0.519 1.00 0.00 N ATOM 225 CA TYR A 13 -3.500 -8.565 0.101 1.00 0.00 C ATOM 226 C TYR A 13 -3.351 -8.566 -1.418 1.00 0.00 C ATOM 227 O TYR A 13 -4.057 -9.288 -2.120 1.00 0.00 O ATOM 228 CB TYR A 13 -2.170 -8.943 0.756 1.00 0.00 C ATOM 229 CG TYR A 13 -1.912 -10.433 0.795 1.00 0.00 C ATOM 230 CD1 TYR A 13 -1.874 -11.182 -0.376 1.00 0.00 C ATOM 231 CD2 TYR A 13 -1.706 -11.091 2.000 1.00 0.00 C ATOM 232 CE1 TYR A 13 -1.639 -12.544 -0.345 1.00 0.00 C ATOM 233 CE2 TYR A 13 -1.470 -12.451 2.040 1.00 0.00 C ATOM 234 CZ TYR A 13 -1.436 -13.173 0.865 1.00 0.00 C ATOM 235 OH TYR A 13 -1.202 -14.528 0.901 1.00 0.00 O ATOM 0 H TYR A 13 -4.834 -10.154 -0.194 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.779 -7.562 0.422 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.358 -8.457 0.215 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.153 -8.554 1.774 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.031 -10.692 -1.325 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.731 -10.529 2.922 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -1.615 -13.112 -1.263 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.313 -12.947 2.986 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.079 -14.814 1.830 1.00 0.00 H new ATOM 245 N GLY A 14 -2.426 -7.751 -1.916 1.00 0.00 N ATOM 246 CA GLY A 14 -2.200 -7.674 -3.347 1.00 0.00 C ATOM 247 C GLY A 14 -0.728 -7.612 -3.699 1.00 0.00 C ATOM 248 O GLY A 14 0.131 -7.695 -2.820 1.00 0.00 O ATOM 0 H GLY A 14 -1.830 -7.143 -1.354 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -2.650 -8.542 -3.830 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -2.703 -6.792 -3.744 1.00 0.00 H new ATOM 252 N VAL A 15 -0.433 -7.465 -4.987 1.00 0.00 N ATOM 253 CA VAL A 15 0.947 -7.391 -5.450 1.00 0.00 C ATOM 254 C VAL A 15 1.255 -6.023 -6.047 1.00 0.00 C ATOM 255 O VAL A 15 0.395 -5.396 -6.667 1.00 0.00 O ATOM 256 CB VAL A 15 1.247 -8.478 -6.502 1.00 0.00 C ATOM 257 CG1 VAL A 15 2.718 -8.457 -6.891 1.00 0.00 C ATOM 258 CG2 VAL A 15 0.847 -9.850 -5.981 1.00 0.00 C ATOM 0 H VAL A 15 -1.131 -7.395 -5.727 1.00 0.00 H new ATOM 0 HA VAL A 15 1.581 -7.555 -4.579 1.00 0.00 H new ATOM 0 HB VAL A 15 0.657 -8.266 -7.393 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.909 -9.231 -7.634 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.970 -7.483 -7.309 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.330 -8.642 -6.009 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.066 -10.604 -6.737 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.408 -10.072 -5.073 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.220 -9.858 -5.759 1.00 0.00 H new ATOM 268 N ALA A 16 2.488 -5.568 -5.858 1.00 0.00 N ATOM 269 CA ALA A 16 2.916 -4.276 -6.376 1.00 0.00 C ATOM 270 C ALA A 16 4.115 -4.439 -7.307 1.00 0.00 C ATOM 271 O ALA A 16 5.085 -5.117 -6.965 1.00 0.00 O ATOM 272 CB ALA A 16 3.258 -3.337 -5.230 1.00 0.00 C ATOM 0 H ALA A 16 3.210 -6.077 -5.348 1.00 0.00 H new ATOM 0 HA ALA A 16 2.095 -3.845 -6.949 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.577 -2.375 -5.631 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.379 -3.195 -4.601 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.064 -3.767 -4.635 1.00 0.00 H new ATOM 278 N PHE A 17 4.050 -3.814 -8.479 1.00 0.00 N ATOM 279 CA PHE A 17 5.141 -3.900 -9.442 1.00 0.00 C ATOM 280 C PHE A 17 5.729 -2.522 -9.727 1.00 0.00 C ATOM 281 O PHE A 17 5.260 -1.805 -10.612 1.00 0.00 O ATOM 282 CB PHE A 17 4.652 -4.538 -10.745 1.00 0.00 C ATOM 283 CG PHE A 17 3.448 -3.857 -11.334 1.00 0.00 C ATOM 284 CD1 PHE A 17 2.188 -4.069 -10.801 1.00 0.00 C ATOM 285 CD2 PHE A 17 3.580 -3.007 -12.420 1.00 0.00 C ATOM 286 CE1 PHE A 17 1.078 -3.446 -11.341 1.00 0.00 C ATOM 287 CE2 PHE A 17 2.474 -2.382 -12.966 1.00 0.00 C ATOM 288 CZ PHE A 17 1.222 -2.601 -12.424 1.00 0.00 C ATOM 0 H PHE A 17 3.259 -3.246 -8.783 1.00 0.00 H new ATOM 0 HA PHE A 17 5.922 -4.525 -9.010 1.00 0.00 H new ATOM 0 HB2 PHE A 17 5.462 -4.521 -11.474 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.412 -5.585 -10.559 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.071 -4.728 -9.954 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.557 -2.831 -12.845 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.100 -3.620 -10.917 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.589 -1.724 -13.815 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.357 -2.112 -12.847 1.00 0.00 H new ATOM 298 N TYR A 18 6.765 -2.162 -8.975 1.00 0.00 N ATOM 299 CA TYR A 18 7.425 -0.875 -9.150 1.00 0.00 C ATOM 300 C TYR A 18 8.814 -0.883 -8.518 1.00 0.00 C ATOM 301 O TYR A 18 9.190 -1.832 -7.829 1.00 0.00 O ATOM 302 CB TYR A 18 6.580 0.245 -8.541 1.00 0.00 C ATOM 303 CG TYR A 18 6.403 1.434 -9.458 1.00 0.00 C ATOM 304 CD1 TYR A 18 5.357 1.481 -10.371 1.00 0.00 C ATOM 305 CD2 TYR A 18 7.280 2.510 -9.408 1.00 0.00 C ATOM 306 CE1 TYR A 18 5.191 2.566 -11.210 1.00 0.00 C ATOM 307 CE2 TYR A 18 7.121 3.599 -10.244 1.00 0.00 C ATOM 308 CZ TYR A 18 6.076 3.623 -11.143 1.00 0.00 C ATOM 309 OH TYR A 18 5.913 4.705 -11.976 1.00 0.00 O ATOM 0 H TYR A 18 7.165 -2.744 -8.239 1.00 0.00 H new ATOM 0 HA TYR A 18 7.534 -0.696 -10.220 1.00 0.00 H new ATOM 0 HB2 TYR A 18 5.599 -0.152 -8.280 1.00 0.00 H new ATOM 0 HB3 TYR A 18 7.046 0.578 -7.614 1.00 0.00 H new ATOM 0 HD1 TYR A 18 4.662 0.656 -10.426 1.00 0.00 H new ATOM 0 HD2 TYR A 18 8.099 2.495 -8.705 1.00 0.00 H new ATOM 0 HE1 TYR A 18 4.373 2.587 -11.915 1.00 0.00 H new ATOM 0 HE2 TYR A 18 7.812 4.427 -10.193 1.00 0.00 H new ATOM 0 HH TYR A 18 6.619 5.362 -11.801 1.00 0.00 H new ATOM 319 N ASN A 19 9.566 0.187 -8.746 1.00 0.00 N ATOM 320 CA ASN A 19 10.908 0.315 -8.190 1.00 0.00 C ATOM 321 C ASN A 19 10.992 1.548 -7.293 1.00 0.00 C ATOM 322 O ASN A 19 11.769 2.468 -7.554 1.00 0.00 O ATOM 323 CB ASN A 19 11.944 0.409 -9.312 1.00 0.00 C ATOM 324 CG ASN A 19 12.012 -0.856 -10.144 1.00 0.00 C ATOM 325 OD1 ASN A 19 12.611 -1.850 -9.737 1.00 0.00 O ATOM 326 ND2 ASN A 19 11.394 -0.822 -11.320 1.00 0.00 N ATOM 0 H ASN A 19 9.269 0.981 -9.314 1.00 0.00 H new ATOM 0 HA ASN A 19 11.121 -0.571 -7.592 1.00 0.00 H new ATOM 0 HB2 ASN A 19 11.700 1.253 -9.958 1.00 0.00 H new ATOM 0 HB3 ASN A 19 12.925 0.610 -8.881 1.00 0.00 H new ATOM 0 HD21 ASN A 19 11.404 -1.643 -11.926 1.00 0.00 H new ATOM 0 HD22 ASN A 19 10.909 0.025 -11.617 1.00 0.00 H new ATOM 333 N TYR A 20 10.181 1.563 -6.240 1.00 0.00 N ATOM 334 CA TYR A 20 10.155 2.685 -5.308 1.00 0.00 C ATOM 335 C TYR A 20 10.848 2.330 -3.996 1.00 0.00 C ATOM 336 O TYR A 20 10.647 1.245 -3.449 1.00 0.00 O ATOM 337 CB TYR A 20 8.711 3.109 -5.039 1.00 0.00 C ATOM 338 CG TYR A 20 8.590 4.341 -4.169 1.00 0.00 C ATOM 339 CD1 TYR A 20 9.346 5.476 -4.432 1.00 0.00 C ATOM 340 CD2 TYR A 20 7.718 4.368 -3.088 1.00 0.00 C ATOM 341 CE1 TYR A 20 9.237 6.604 -3.640 1.00 0.00 C ATOM 342 CE2 TYR A 20 7.603 5.492 -2.293 1.00 0.00 C ATOM 343 CZ TYR A 20 8.365 6.607 -2.573 1.00 0.00 C ATOM 344 OH TYR A 20 8.253 7.729 -1.782 1.00 0.00 O ATOM 0 H TYR A 20 9.532 0.810 -6.011 1.00 0.00 H new ATOM 0 HA TYR A 20 10.696 3.515 -5.763 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.214 3.297 -5.991 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.183 2.284 -4.561 1.00 0.00 H new ATOM 0 HD1 TYR A 20 10.030 5.477 -5.268 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.120 3.496 -2.865 1.00 0.00 H new ATOM 0 HE1 TYR A 20 9.832 7.479 -3.857 1.00 0.00 H new ATOM 0 HE2 TYR A 20 6.920 5.498 -1.457 1.00 0.00 H new ATOM 0 HH TYR A 20 7.457 8.237 -2.045 1.00 0.00 H new ATOM 354 N ASP A 21 11.658 3.257 -3.495 1.00 0.00 N ATOM 355 CA ASP A 21 12.379 3.051 -2.245 1.00 0.00 C ATOM 356 C ASP A 21 11.963 4.086 -1.205 1.00 0.00 C ATOM 357 O ASP A 21 12.117 5.289 -1.415 1.00 0.00 O ATOM 358 CB ASP A 21 13.888 3.129 -2.482 1.00 0.00 C ATOM 359 CG ASP A 21 14.688 2.716 -1.261 1.00 0.00 C ATOM 360 OD1 ASP A 21 14.789 3.527 -0.316 1.00 0.00 O ATOM 361 OD2 ASP A 21 15.211 1.582 -1.249 1.00 0.00 O ATOM 0 H ASP A 21 11.831 4.160 -3.937 1.00 0.00 H new ATOM 0 HA ASP A 21 12.129 2.059 -1.869 1.00 0.00 H new ATOM 0 HB2 ASP A 21 14.155 2.487 -3.322 1.00 0.00 H new ATOM 0 HB3 ASP A 21 14.157 4.148 -2.761 1.00 0.00 H new ATOM 366 N ALA A 22 11.431 3.611 -0.085 1.00 0.00 N ATOM 367 CA ALA A 22 10.987 4.494 0.986 1.00 0.00 C ATOM 368 C ALA A 22 12.156 5.272 1.581 1.00 0.00 C ATOM 369 O ALA A 22 13.109 4.686 2.094 1.00 0.00 O ATOM 370 CB ALA A 22 10.279 3.698 2.071 1.00 0.00 C ATOM 0 H ALA A 22 11.297 2.618 0.105 1.00 0.00 H new ATOM 0 HA ALA A 22 10.286 5.211 0.559 1.00 0.00 H new ATOM 0 HB1 ALA A 22 9.954 4.372 2.863 1.00 0.00 H new ATOM 0 HB2 ALA A 22 9.412 3.194 1.645 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.963 2.957 2.484 1.00 0.00 H new ATOM 376 N ARG A 23 12.071 6.597 1.514 1.00 0.00 N ATOM 377 CA ARG A 23 13.119 7.458 2.051 1.00 0.00 C ATOM 378 C ARG A 23 13.038 7.525 3.574 1.00 0.00 C ATOM 379 O ARG A 23 14.022 7.843 4.242 1.00 0.00 O ATOM 380 CB ARG A 23 13.005 8.863 1.458 1.00 0.00 C ATOM 381 CG ARG A 23 13.390 8.937 -0.011 1.00 0.00 C ATOM 382 CD ARG A 23 13.388 10.370 -0.515 1.00 0.00 C ATOM 383 NE ARG A 23 13.355 10.438 -1.975 1.00 0.00 N ATOM 384 CZ ARG A 23 14.416 10.230 -2.750 1.00 0.00 C ATOM 385 NH1 ARG A 23 15.595 9.945 -2.211 1.00 0.00 N ATOM 386 NH2 ARG A 23 14.300 10.309 -4.068 1.00 0.00 N ATOM 0 H ARG A 23 11.288 7.097 1.094 1.00 0.00 H new ATOM 0 HA ARG A 23 14.084 7.033 1.775 1.00 0.00 H new ATOM 0 HB2 ARG A 23 11.980 9.215 1.575 1.00 0.00 H new ATOM 0 HB3 ARG A 23 13.642 9.541 2.026 1.00 0.00 H new ATOM 0 HG2 ARG A 23 14.380 8.502 -0.151 1.00 0.00 H new ATOM 0 HG3 ARG A 23 12.694 8.342 -0.601 1.00 0.00 H new ATOM 0 HD2 ARG A 23 12.524 10.896 -0.108 1.00 0.00 H new ATOM 0 HD3 ARG A 23 14.276 10.884 -0.148 1.00 0.00 H new ATOM 0 HE ARG A 23 12.467 10.658 -2.426 1.00 0.00 H new ATOM 0 HH11 ARG A 23 15.691 9.884 -1.197 1.00 0.00 H new ATOM 0 HH12 ARG A 23 16.405 9.787 -2.810 1.00 0.00 H new ATOM 0 HH21 ARG A 23 13.397 10.529 -4.488 1.00 0.00 H new ATOM 0 HH22 ARG A 23 15.114 10.149 -4.662 1.00 0.00 H new ATOM 400 N GLY A 24 11.861 7.224 4.117 1.00 0.00 N ATOM 401 CA GLY A 24 11.677 7.257 5.555 1.00 0.00 C ATOM 402 C GLY A 24 10.576 6.323 6.017 1.00 0.00 C ATOM 403 O GLY A 24 10.081 5.504 5.242 1.00 0.00 O ATOM 0 H GLY A 24 11.032 6.958 3.585 1.00 0.00 H new ATOM 0 HA2 GLY A 24 12.612 6.983 6.045 1.00 0.00 H new ATOM 0 HA3 GLY A 24 11.441 8.275 5.865 1.00 0.00 H new ATOM 407 N ALA A 25 10.192 6.442 7.283 1.00 0.00 N ATOM 408 CA ALA A 25 9.143 5.601 7.847 1.00 0.00 C ATOM 409 C ALA A 25 7.768 5.990 7.308 1.00 0.00 C ATOM 410 O ALA A 25 6.823 5.203 7.371 1.00 0.00 O ATOM 411 CB ALA A 25 9.160 5.687 9.365 1.00 0.00 C ATOM 0 H ALA A 25 10.592 7.113 7.939 1.00 0.00 H new ATOM 0 HA ALA A 25 9.340 4.572 7.547 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.372 5.055 9.774 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.127 5.349 9.738 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.993 6.719 9.673 1.00 0.00 H new ATOM 417 N ASP A 26 7.660 7.207 6.783 1.00 0.00 N ATOM 418 CA ASP A 26 6.397 7.694 6.239 1.00 0.00 C ATOM 419 C ASP A 26 6.003 6.922 4.984 1.00 0.00 C ATOM 420 O ASP A 26 4.820 6.682 4.740 1.00 0.00 O ATOM 421 CB ASP A 26 6.501 9.187 5.921 1.00 0.00 C ATOM 422 CG ASP A 26 5.149 9.874 5.926 1.00 0.00 C ATOM 423 OD1 ASP A 26 4.370 9.648 6.876 1.00 0.00 O ATOM 424 OD2 ASP A 26 4.870 10.640 4.979 1.00 0.00 O ATOM 0 H ASP A 26 8.430 7.873 6.723 1.00 0.00 H new ATOM 0 HA ASP A 26 5.624 7.539 6.992 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.152 9.667 6.652 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.968 9.316 4.944 1.00 0.00 H new ATOM 429 N GLU A 27 6.997 6.539 4.189 1.00 0.00 N ATOM 430 CA GLU A 27 6.746 5.797 2.957 1.00 0.00 C ATOM 431 C GLU A 27 7.154 4.335 3.106 1.00 0.00 C ATOM 432 O GLU A 27 7.677 3.927 4.143 1.00 0.00 O ATOM 433 CB GLU A 27 7.504 6.433 1.791 1.00 0.00 C ATOM 434 CG GLU A 27 6.762 7.590 1.143 1.00 0.00 C ATOM 435 CD GLU A 27 7.067 8.922 1.802 1.00 0.00 C ATOM 436 OE1 GLU A 27 8.198 9.089 2.305 1.00 0.00 O ATOM 437 OE2 GLU A 27 6.175 9.794 1.819 1.00 0.00 O ATOM 0 H GLU A 27 7.982 6.729 4.375 1.00 0.00 H new ATOM 0 HA GLU A 27 5.676 5.836 2.752 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.472 6.787 2.147 1.00 0.00 H new ATOM 0 HB3 GLU A 27 7.701 5.671 1.037 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.029 7.642 0.087 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.689 7.402 1.192 1.00 0.00 H new ATOM 444 N LEU A 28 6.911 3.549 2.060 1.00 0.00 N ATOM 445 CA LEU A 28 7.252 2.131 2.071 1.00 0.00 C ATOM 446 C LEU A 28 7.974 1.734 0.788 1.00 0.00 C ATOM 447 O LEU A 28 7.506 2.022 -0.313 1.00 0.00 O ATOM 448 CB LEU A 28 5.990 1.281 2.236 1.00 0.00 C ATOM 449 CG LEU A 28 6.231 -0.147 2.728 1.00 0.00 C ATOM 450 CD1 LEU A 28 6.174 -0.206 4.246 1.00 0.00 C ATOM 451 CD2 LEU A 28 5.213 -1.100 2.117 1.00 0.00 C ATOM 0 H LEU A 28 6.479 3.871 1.194 1.00 0.00 H new ATOM 0 HA LEU A 28 7.918 1.953 2.915 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.322 1.782 2.936 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.473 1.236 1.278 1.00 0.00 H new ATOM 0 HG LEU A 28 7.227 -0.457 2.410 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.348 -1.230 4.577 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.941 0.446 4.665 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.192 0.124 4.586 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.399 -2.112 2.478 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.208 -0.792 2.404 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.302 -1.080 1.031 1.00 0.00 H new ATOM 463 N SER A 29 9.112 1.063 0.938 1.00 0.00 N ATOM 464 CA SER A 29 9.890 0.619 -0.212 1.00 0.00 C ATOM 465 C SER A 29 9.169 -0.510 -0.936 1.00 0.00 C ATOM 466 O SER A 29 9.079 -1.629 -0.428 1.00 0.00 O ATOM 467 CB SER A 29 11.278 0.154 0.233 1.00 0.00 C ATOM 468 OG SER A 29 11.211 -1.105 0.879 1.00 0.00 O ATOM 0 H SER A 29 9.514 0.816 1.842 1.00 0.00 H new ATOM 0 HA SER A 29 10.003 1.459 -0.897 1.00 0.00 H new ATOM 0 HB2 SER A 29 11.937 0.088 -0.632 1.00 0.00 H new ATOM 0 HB3 SER A 29 11.712 0.891 0.909 1.00 0.00 H new ATOM 0 HG SER A 29 10.309 -1.476 0.780 1.00 0.00 H new ATOM 474 N LEU A 30 8.649 -0.213 -2.122 1.00 0.00 N ATOM 475 CA LEU A 30 7.927 -1.207 -2.907 1.00 0.00 C ATOM 476 C LEU A 30 8.795 -1.751 -4.037 1.00 0.00 C ATOM 477 O LEU A 30 9.374 -0.990 -4.813 1.00 0.00 O ATOM 478 CB LEU A 30 6.640 -0.604 -3.474 1.00 0.00 C ATOM 479 CG LEU A 30 5.347 -1.185 -2.895 1.00 0.00 C ATOM 480 CD1 LEU A 30 5.343 -2.701 -3.019 1.00 0.00 C ATOM 481 CD2 LEU A 30 5.178 -0.766 -1.444 1.00 0.00 C ATOM 0 H LEU A 30 8.714 0.706 -2.560 1.00 0.00 H new ATOM 0 HA LEU A 30 7.670 -2.035 -2.247 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.650 0.471 -3.295 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.634 -0.747 -4.554 1.00 0.00 H new ATOM 0 HG LEU A 30 4.506 -0.792 -3.465 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.417 -3.098 -2.603 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.417 -2.980 -4.070 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.192 -3.113 -2.473 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.254 -1.188 -1.049 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.023 -1.131 -0.859 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.136 0.321 -1.382 1.00 0.00 H new ATOM 493 N GLN A 31 8.873 -3.075 -4.122 1.00 0.00 N ATOM 494 CA GLN A 31 9.661 -3.732 -5.155 1.00 0.00 C ATOM 495 C GLN A 31 8.791 -4.682 -5.968 1.00 0.00 C ATOM 496 O GLN A 31 7.842 -5.268 -5.447 1.00 0.00 O ATOM 497 CB GLN A 31 10.828 -4.498 -4.530 1.00 0.00 C ATOM 498 CG GLN A 31 11.834 -3.605 -3.824 1.00 0.00 C ATOM 499 CD GLN A 31 11.300 -3.039 -2.522 1.00 0.00 C ATOM 500 OE1 GLN A 31 11.081 -1.834 -2.398 1.00 0.00 O ATOM 501 NE2 GLN A 31 11.087 -3.909 -1.543 1.00 0.00 N ATOM 0 H GLN A 31 8.398 -3.715 -3.485 1.00 0.00 H new ATOM 0 HA GLN A 31 10.059 -2.966 -5.820 1.00 0.00 H new ATOM 0 HB2 GLN A 31 10.435 -5.223 -3.817 1.00 0.00 H new ATOM 0 HB3 GLN A 31 11.340 -5.062 -5.309 1.00 0.00 H new ATOM 0 HG2 GLN A 31 12.741 -4.175 -3.623 1.00 0.00 H new ATOM 0 HG3 GLN A 31 12.113 -2.784 -4.485 1.00 0.00 H new ATOM 0 HE21 GLN A 31 11.282 -4.899 -1.689 1.00 0.00 H new ATOM 0 HE22 GLN A 31 10.728 -3.587 -0.644 1.00 0.00 H new ATOM 510 N ILE A 32 9.115 -4.828 -7.248 1.00 0.00 N ATOM 511 CA ILE A 32 8.355 -5.706 -8.130 1.00 0.00 C ATOM 512 C ILE A 32 8.385 -7.146 -7.633 1.00 0.00 C ATOM 513 O ILE A 32 9.450 -7.700 -7.357 1.00 0.00 O ATOM 514 CB ILE A 32 8.889 -5.648 -9.575 1.00 0.00 C ATOM 515 CG1 ILE A 32 8.894 -4.203 -10.077 1.00 0.00 C ATOM 516 CG2 ILE A 32 8.051 -6.529 -10.491 1.00 0.00 C ATOM 517 CD1 ILE A 32 9.917 -3.941 -11.160 1.00 0.00 C ATOM 0 H ILE A 32 9.897 -4.351 -7.697 1.00 0.00 H new ATOM 0 HA ILE A 32 7.324 -5.351 -8.123 1.00 0.00 H new ATOM 0 HB ILE A 32 9.912 -6.024 -9.584 1.00 0.00 H new ATOM 0 HG12 ILE A 32 7.903 -3.956 -10.458 1.00 0.00 H new ATOM 0 HG13 ILE A 32 9.088 -3.536 -9.237 1.00 0.00 H new ATOM 0 HG21 ILE A 32 8.443 -6.475 -11.507 1.00 0.00 H new ATOM 0 HG22 ILE A 32 8.092 -7.560 -10.141 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.017 -6.183 -10.482 1.00 0.00 H new ATOM 0 HD11 ILE A 32 9.863 -2.896 -11.467 1.00 0.00 H new ATOM 0 HD12 ILE A 32 10.915 -4.156 -10.777 1.00 0.00 H new ATOM 0 HD13 ILE A 32 9.712 -4.582 -12.017 1.00 0.00 H new ATOM 529 N GLY A 33 7.204 -7.747 -7.522 1.00 0.00 N ATOM 530 CA GLY A 33 7.107 -9.118 -7.057 1.00 0.00 C ATOM 531 C GLY A 33 6.820 -9.215 -5.567 1.00 0.00 C ATOM 532 O GLY A 33 6.697 -10.314 -5.027 1.00 0.00 O ATOM 0 H GLY A 33 6.311 -7.308 -7.746 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.318 -9.629 -7.609 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.039 -9.639 -7.278 1.00 0.00 H new ATOM 536 N ASP A 34 6.717 -8.067 -4.900 1.00 0.00 N ATOM 537 CA ASP A 34 6.448 -8.039 -3.468 1.00 0.00 C ATOM 538 C ASP A 34 4.958 -7.868 -3.189 1.00 0.00 C ATOM 539 O ASP A 34 4.256 -7.166 -3.916 1.00 0.00 O ATOM 540 CB ASP A 34 7.231 -6.901 -2.807 1.00 0.00 C ATOM 541 CG ASP A 34 8.684 -7.260 -2.570 1.00 0.00 C ATOM 542 OD1 ASP A 34 9.245 -8.027 -3.379 1.00 0.00 O ATOM 543 OD2 ASP A 34 9.260 -6.773 -1.573 1.00 0.00 O ATOM 0 H ASP A 34 6.816 -7.147 -5.329 1.00 0.00 H new ATOM 0 HA ASP A 34 6.768 -8.993 -3.048 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.177 -6.013 -3.437 1.00 0.00 H new ATOM 0 HB3 ASP A 34 6.763 -6.646 -1.856 1.00 0.00 H new ATOM 548 N THR A 35 4.486 -8.510 -2.124 1.00 0.00 N ATOM 549 CA THR A 35 3.083 -8.422 -1.738 1.00 0.00 C ATOM 550 C THR A 35 2.901 -7.392 -0.628 1.00 0.00 C ATOM 551 O THR A 35 3.813 -7.159 0.166 1.00 0.00 O ATOM 552 CB THR A 35 2.572 -9.787 -1.275 1.00 0.00 C ATOM 553 OG1 THR A 35 3.026 -10.813 -2.140 1.00 0.00 O ATOM 554 CG2 THR A 35 1.062 -9.872 -1.213 1.00 0.00 C ATOM 0 H THR A 35 5.055 -9.096 -1.514 1.00 0.00 H new ATOM 0 HA THR A 35 2.505 -8.107 -2.607 1.00 0.00 H new ATOM 0 HB THR A 35 2.968 -9.917 -0.268 1.00 0.00 H new ATOM 0 HG1 THR A 35 3.606 -11.427 -1.643 1.00 0.00 H new ATOM 0 HG21 THR A 35 0.767 -10.866 -0.878 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.684 -9.126 -0.514 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.646 -9.685 -2.203 1.00 0.00 H new ATOM 562 N VAL A 36 1.727 -6.774 -0.577 1.00 0.00 N ATOM 563 CA VAL A 36 1.450 -5.765 0.438 1.00 0.00 C ATOM 564 C VAL A 36 0.023 -5.869 0.965 1.00 0.00 C ATOM 565 O VAL A 36 -0.923 -6.041 0.199 1.00 0.00 O ATOM 566 CB VAL A 36 1.678 -4.341 -0.106 1.00 0.00 C ATOM 567 CG1 VAL A 36 3.164 -4.030 -0.185 1.00 0.00 C ATOM 568 CG2 VAL A 36 1.018 -4.178 -1.467 1.00 0.00 C ATOM 0 H VAL A 36 0.957 -6.952 -1.221 1.00 0.00 H new ATOM 0 HA VAL A 36 2.145 -5.955 1.256 1.00 0.00 H new ATOM 0 HB VAL A 36 1.219 -3.631 0.582 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.304 -3.020 -0.571 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.604 -4.103 0.809 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.650 -4.744 -0.850 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.189 -3.167 -1.836 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.445 -4.896 -2.167 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.054 -4.354 -1.375 1.00 0.00 H new ATOM 578 N HIS A 37 -0.119 -5.745 2.280 1.00 0.00 N ATOM 579 CA HIS A 37 -1.428 -5.808 2.922 1.00 0.00 C ATOM 580 C HIS A 37 -1.940 -4.403 3.217 1.00 0.00 C ATOM 581 O HIS A 37 -1.416 -3.711 4.091 1.00 0.00 O ATOM 582 CB HIS A 37 -1.351 -6.621 4.215 1.00 0.00 C ATOM 583 CG HIS A 37 -2.671 -6.769 4.908 1.00 0.00 C ATOM 584 ND1 HIS A 37 -2.811 -7.359 6.146 1.00 0.00 N ATOM 585 CD2 HIS A 37 -3.917 -6.400 4.527 1.00 0.00 C ATOM 586 CE1 HIS A 37 -4.084 -7.346 6.497 1.00 0.00 C ATOM 587 NE2 HIS A 37 -4.776 -6.769 5.533 1.00 0.00 N ATOM 0 H HIS A 37 0.658 -5.600 2.924 1.00 0.00 H new ATOM 0 HA HIS A 37 -2.123 -6.300 2.241 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -0.955 -7.611 3.989 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -0.645 -6.143 4.894 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -4.185 -5.907 3.604 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -4.490 -7.741 7.417 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -5.785 -6.621 5.535 1.00 0.00 H new ATOM 596 N ILE A 38 -2.956 -3.981 2.471 1.00 0.00 N ATOM 597 CA ILE A 38 -3.527 -2.648 2.640 1.00 0.00 C ATOM 598 C ILE A 38 -4.452 -2.576 3.851 1.00 0.00 C ATOM 599 O ILE A 38 -5.348 -3.406 4.015 1.00 0.00 O ATOM 600 CB ILE A 38 -4.314 -2.213 1.388 1.00 0.00 C ATOM 601 CG1 ILE A 38 -3.533 -2.550 0.114 1.00 0.00 C ATOM 602 CG2 ILE A 38 -4.622 -0.723 1.452 1.00 0.00 C ATOM 603 CD1 ILE A 38 -4.236 -3.548 -0.779 1.00 0.00 C ATOM 0 H ILE A 38 -3.401 -4.542 1.744 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.686 -1.972 2.795 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.256 -2.761 1.362 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.357 -1.633 -0.448 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.556 -2.947 0.391 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -5.178 -0.428 0.562 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -5.219 -0.513 2.339 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.690 -0.160 1.500 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.626 -3.739 -1.662 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.388 -4.480 -0.234 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.201 -3.145 -1.086 1.00 0.00 H new ATOM 615 N LEU A 39 -4.238 -1.564 4.685 1.00 0.00 N ATOM 616 CA LEU A 39 -5.057 -1.357 5.875 1.00 0.00 C ATOM 617 C LEU A 39 -5.911 -0.105 5.710 1.00 0.00 C ATOM 618 O LEU A 39 -7.074 -0.072 6.111 1.00 0.00 O ATOM 619 CB LEU A 39 -4.177 -1.237 7.121 1.00 0.00 C ATOM 620 CG LEU A 39 -3.163 -0.091 7.095 1.00 0.00 C ATOM 621 CD1 LEU A 39 -3.751 1.160 7.728 1.00 0.00 C ATOM 622 CD2 LEU A 39 -1.881 -0.499 7.805 1.00 0.00 C ATOM 0 H LEU A 39 -3.501 -0.871 4.558 1.00 0.00 H new ATOM 0 HA LEU A 39 -5.712 -2.219 5.999 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.822 -1.111 7.991 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.638 -2.175 7.257 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.924 0.133 6.055 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.014 1.963 7.700 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.640 1.464 7.176 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.021 0.952 8.763 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.171 0.327 7.777 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.104 -0.751 8.842 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.449 -1.366 7.305 1.00 0.00 H new ATOM 634 N GLU A 40 -5.324 0.922 5.099 1.00 0.00 N ATOM 635 CA GLU A 40 -6.026 2.179 4.856 1.00 0.00 C ATOM 636 C GLU A 40 -6.088 2.460 3.357 1.00 0.00 C ATOM 637 O GLU A 40 -5.323 1.886 2.584 1.00 0.00 O ATOM 638 CB GLU A 40 -5.330 3.332 5.586 1.00 0.00 C ATOM 639 CG GLU A 40 -6.278 4.189 6.410 1.00 0.00 C ATOM 640 CD GLU A 40 -5.687 4.586 7.749 1.00 0.00 C ATOM 641 OE1 GLU A 40 -5.527 3.698 8.613 1.00 0.00 O ATOM 642 OE2 GLU A 40 -5.384 5.783 7.933 1.00 0.00 O ATOM 0 H GLU A 40 -4.361 0.907 4.763 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.042 2.093 5.241 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.559 2.925 6.241 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.826 3.963 4.854 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.532 5.088 5.848 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.207 3.643 6.574 1.00 0.00 H new ATOM 649 N THR A 41 -7.004 3.331 2.949 1.00 0.00 N ATOM 650 CA THR A 41 -7.153 3.656 1.533 1.00 0.00 C ATOM 651 C THR A 41 -7.771 5.041 1.343 1.00 0.00 C ATOM 652 O THR A 41 -8.362 5.603 2.265 1.00 0.00 O ATOM 653 CB THR A 41 -8.010 2.586 0.848 1.00 0.00 C ATOM 654 OG1 THR A 41 -7.280 1.381 0.710 1.00 0.00 O ATOM 655 CG2 THR A 41 -8.505 2.975 -0.530 1.00 0.00 C ATOM 0 H THR A 41 -7.649 3.821 3.570 1.00 0.00 H new ATOM 0 HA THR A 41 -6.164 3.673 1.076 1.00 0.00 H new ATOM 0 HB THR A 41 -8.877 2.466 1.497 1.00 0.00 H new ATOM 0 HG1 THR A 41 -6.442 1.446 1.215 1.00 0.00 H new ATOM 0 HG21 THR A 41 -9.103 2.163 -0.944 1.00 0.00 H new ATOM 0 HG22 THR A 41 -9.116 3.875 -0.457 1.00 0.00 H new ATOM 0 HG23 THR A 41 -7.653 3.167 -1.182 1.00 0.00 H new ATOM 663 N TYR A 42 -7.626 5.580 0.135 1.00 0.00 N ATOM 664 CA TYR A 42 -8.165 6.895 -0.194 1.00 0.00 C ATOM 665 C TYR A 42 -8.231 7.085 -1.709 1.00 0.00 C ATOM 666 O TYR A 42 -9.309 7.057 -2.303 1.00 0.00 O ATOM 667 CB TYR A 42 -7.303 7.993 0.439 1.00 0.00 C ATOM 668 CG TYR A 42 -7.646 9.390 -0.034 1.00 0.00 C ATOM 669 CD1 TYR A 42 -8.762 10.056 0.455 1.00 0.00 C ATOM 670 CD2 TYR A 42 -6.851 10.040 -0.970 1.00 0.00 C ATOM 671 CE1 TYR A 42 -9.077 11.331 0.023 1.00 0.00 C ATOM 672 CE2 TYR A 42 -7.159 11.314 -1.406 1.00 0.00 C ATOM 673 CZ TYR A 42 -8.273 11.954 -0.906 1.00 0.00 C ATOM 674 OH TYR A 42 -8.584 13.224 -1.339 1.00 0.00 O ATOM 0 H TYR A 42 -7.137 5.123 -0.635 1.00 0.00 H new ATOM 0 HA TYR A 42 -9.176 6.964 0.207 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -7.414 7.949 1.522 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -6.255 7.792 0.217 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -9.394 9.570 1.184 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -5.978 9.541 -1.363 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -9.949 11.836 0.412 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -6.531 11.806 -2.134 1.00 0.00 H new ATOM 0 HH TYR A 42 -7.916 13.519 -1.993 1.00 0.00 H new ATOM 684 N GLU A 43 -7.068 7.276 -2.323 1.00 0.00 N ATOM 685 CA GLU A 43 -6.978 7.471 -3.766 1.00 0.00 C ATOM 686 C GLU A 43 -5.522 7.632 -4.185 1.00 0.00 C ATOM 687 O GLU A 43 -4.925 8.693 -3.997 1.00 0.00 O ATOM 688 CB GLU A 43 -7.783 8.699 -4.194 1.00 0.00 C ATOM 689 CG GLU A 43 -7.846 8.893 -5.701 1.00 0.00 C ATOM 690 CD GLU A 43 -8.900 8.024 -6.356 1.00 0.00 C ATOM 691 OE1 GLU A 43 -9.081 6.870 -5.910 1.00 0.00 O ATOM 692 OE2 GLU A 43 -9.546 8.497 -7.315 1.00 0.00 O ATOM 0 H GLU A 43 -6.170 7.300 -1.841 1.00 0.00 H new ATOM 0 HA GLU A 43 -7.395 6.592 -4.258 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.797 8.611 -3.805 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.343 9.587 -3.740 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.056 9.940 -5.921 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.872 8.665 -6.134 1.00 0.00 H new ATOM 699 N GLY A 44 -4.946 6.569 -4.737 1.00 0.00 N ATOM 700 CA GLY A 44 -3.556 6.616 -5.152 1.00 0.00 C ATOM 701 C GLY A 44 -2.633 6.830 -3.969 1.00 0.00 C ATOM 702 O GLY A 44 -1.551 7.403 -4.105 1.00 0.00 O ATOM 0 H GLY A 44 -5.415 5.679 -4.904 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -3.294 5.686 -5.657 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -3.417 7.421 -5.874 1.00 0.00 H new ATOM 706 N TRP A 45 -3.077 6.372 -2.804 1.00 0.00 N ATOM 707 CA TRP A 45 -2.314 6.511 -1.570 1.00 0.00 C ATOM 708 C TRP A 45 -2.938 5.649 -0.479 1.00 0.00 C ATOM 709 O TRP A 45 -3.885 6.071 0.186 1.00 0.00 O ATOM 710 CB TRP A 45 -2.299 7.980 -1.135 1.00 0.00 C ATOM 711 CG TRP A 45 -0.946 8.556 -0.799 1.00 0.00 C ATOM 712 CD1 TRP A 45 -0.727 9.763 -0.197 1.00 0.00 C ATOM 713 CD2 TRP A 45 0.362 7.991 -1.037 1.00 0.00 C ATOM 714 NE1 TRP A 45 0.617 9.988 -0.046 1.00 0.00 N ATOM 715 CE2 TRP A 45 1.306 8.921 -0.552 1.00 0.00 C ATOM 716 CE3 TRP A 45 0.836 6.802 -1.607 1.00 0.00 C ATOM 717 CZ2 TRP A 45 2.680 8.700 -0.620 1.00 0.00 C ATOM 718 CZ3 TRP A 45 2.200 6.586 -1.672 1.00 0.00 C ATOM 719 CH2 TRP A 45 3.107 7.531 -1.182 1.00 0.00 C ATOM 0 H TRP A 45 -3.972 5.896 -2.689 1.00 0.00 H new ATOM 0 HA TRP A 45 -1.289 6.180 -1.740 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -2.739 8.579 -1.932 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -2.944 8.087 -0.263 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -1.504 10.445 0.116 1.00 0.00 H new ATOM 0 HE1 TRP A 45 1.035 10.817 0.376 1.00 0.00 H new ATOM 0 HE3 TRP A 45 0.146 6.065 -1.990 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 3.383 9.428 -0.242 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 2.572 5.671 -2.109 1.00 0.00 H new ATOM 0 HH2 TRP A 45 4.166 7.332 -1.249 1.00 0.00 H new ATOM 730 N TYR A 46 -2.418 4.439 -0.303 1.00 0.00 N ATOM 731 CA TYR A 46 -2.951 3.528 0.707 1.00 0.00 C ATOM 732 C TYR A 46 -1.888 3.156 1.735 1.00 0.00 C ATOM 733 O TYR A 46 -0.690 3.252 1.469 1.00 0.00 O ATOM 734 CB TYR A 46 -3.498 2.254 0.053 1.00 0.00 C ATOM 735 CG TYR A 46 -4.275 2.493 -1.223 1.00 0.00 C ATOM 736 CD1 TYR A 46 -5.045 3.639 -1.392 1.00 0.00 C ATOM 737 CD2 TYR A 46 -4.242 1.567 -2.256 1.00 0.00 C ATOM 738 CE1 TYR A 46 -5.758 3.852 -2.556 1.00 0.00 C ATOM 739 CE2 TYR A 46 -4.953 1.772 -3.423 1.00 0.00 C ATOM 740 CZ TYR A 46 -5.708 2.916 -3.569 1.00 0.00 C ATOM 741 OH TYR A 46 -6.418 3.125 -4.729 1.00 0.00 O ATOM 0 H TYR A 46 -1.635 4.067 -0.841 1.00 0.00 H new ATOM 0 HA TYR A 46 -3.762 4.047 1.218 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.666 1.584 -0.162 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.143 1.741 0.767 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -5.086 4.373 -0.601 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.650 0.670 -2.146 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.352 4.747 -2.673 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.917 1.040 -4.216 1.00 0.00 H new ATOM 0 HH TYR A 46 -6.700 4.062 -4.775 1.00 0.00 H new ATOM 751 N ARG A 47 -2.342 2.722 2.904 1.00 0.00 N ATOM 752 CA ARG A 47 -1.445 2.321 3.980 1.00 0.00 C ATOM 753 C ARG A 47 -1.445 0.804 4.130 1.00 0.00 C ATOM 754 O ARG A 47 -2.466 0.153 3.911 1.00 0.00 O ATOM 755 CB ARG A 47 -1.871 2.971 5.300 1.00 0.00 C ATOM 756 CG ARG A 47 -1.070 4.212 5.660 1.00 0.00 C ATOM 757 CD ARG A 47 0.265 3.851 6.292 1.00 0.00 C ATOM 758 NE ARG A 47 1.120 5.021 6.477 1.00 0.00 N ATOM 759 CZ ARG A 47 0.929 5.937 7.421 1.00 0.00 C ATOM 760 NH1 ARG A 47 -0.087 5.825 8.269 1.00 0.00 N ATOM 761 NH2 ARG A 47 1.756 6.970 7.521 1.00 0.00 N ATOM 0 H ARG A 47 -3.333 2.638 3.132 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.438 2.654 3.730 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.926 3.236 5.239 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.771 2.240 6.103 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.900 4.809 4.764 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.645 4.830 6.350 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.092 3.373 7.256 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.778 3.123 5.663 1.00 0.00 H new ATOM 0 HE ARG A 47 1.911 5.142 5.844 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.726 5.033 8.198 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.229 6.531 8.991 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.539 7.061 6.873 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.609 7.673 8.246 1.00 0.00 H new ATOM 775 N GLY A 48 -0.297 0.247 4.499 1.00 0.00 N ATOM 776 CA GLY A 48 -0.196 -1.191 4.667 1.00 0.00 C ATOM 777 C GLY A 48 1.226 -1.650 4.918 1.00 0.00 C ATOM 778 O GLY A 48 2.135 -0.831 5.062 1.00 0.00 O ATOM 0 H GLY A 48 0.563 0.763 4.684 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.826 -1.501 5.501 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.581 -1.685 3.775 1.00 0.00 H new ATOM 782 N TYR A 49 1.418 -2.963 4.970 1.00 0.00 N ATOM 783 CA TYR A 49 2.739 -3.533 5.203 1.00 0.00 C ATOM 784 C TYR A 49 2.994 -4.710 4.267 1.00 0.00 C ATOM 785 O TYR A 49 2.080 -5.469 3.945 1.00 0.00 O ATOM 786 CB TYR A 49 2.872 -3.987 6.659 1.00 0.00 C ATOM 787 CG TYR A 49 1.658 -4.723 7.176 1.00 0.00 C ATOM 788 CD1 TYR A 49 0.556 -4.031 7.663 1.00 0.00 C ATOM 789 CD2 TYR A 49 1.613 -6.113 7.179 1.00 0.00 C ATOM 790 CE1 TYR A 49 -0.556 -4.702 8.138 1.00 0.00 C ATOM 791 CE2 TYR A 49 0.504 -6.790 7.650 1.00 0.00 C ATOM 792 CZ TYR A 49 -0.576 -6.081 8.129 1.00 0.00 C ATOM 793 OH TYR A 49 -1.681 -6.752 8.600 1.00 0.00 O ATOM 0 H TYR A 49 0.675 -3.653 4.854 1.00 0.00 H new ATOM 0 HA TYR A 49 3.482 -2.762 5.001 1.00 0.00 H new ATOM 0 HB2 TYR A 49 3.745 -4.633 6.751 1.00 0.00 H new ATOM 0 HB3 TYR A 49 3.053 -3.115 7.288 1.00 0.00 H new ATOM 0 HD1 TYR A 49 0.568 -2.951 7.671 1.00 0.00 H new ATOM 0 HD2 TYR A 49 2.459 -6.673 6.807 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.404 -4.149 8.514 1.00 0.00 H new ATOM 0 HE2 TYR A 49 0.484 -7.870 7.643 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.019 -7.354 7.904 1.00 0.00 H new ATOM 803 N THR A 50 4.240 -4.853 3.831 1.00 0.00 N ATOM 804 CA THR A 50 4.614 -5.937 2.931 1.00 0.00 C ATOM 805 C THR A 50 4.597 -7.278 3.659 1.00 0.00 C ATOM 806 O THR A 50 4.887 -7.351 4.852 1.00 0.00 O ATOM 807 CB THR A 50 6.000 -5.683 2.333 1.00 0.00 C ATOM 808 OG1 THR A 50 6.772 -4.853 3.185 1.00 0.00 O ATOM 809 CG2 THR A 50 5.951 -5.026 0.968 1.00 0.00 C ATOM 0 H THR A 50 5.008 -4.232 4.086 1.00 0.00 H new ATOM 0 HA THR A 50 3.882 -5.972 2.124 1.00 0.00 H new ATOM 0 HB THR A 50 6.454 -6.668 2.228 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.155 -4.116 2.665 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.966 -4.874 0.601 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.407 -5.667 0.275 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.445 -4.064 1.045 1.00 0.00 H new ATOM 817 N LEU A 51 4.255 -8.337 2.930 1.00 0.00 N ATOM 818 CA LEU A 51 4.200 -9.677 3.506 1.00 0.00 C ATOM 819 C LEU A 51 5.550 -10.071 4.101 1.00 0.00 C ATOM 820 O LEU A 51 5.615 -10.836 5.065 1.00 0.00 O ATOM 821 CB LEU A 51 3.778 -10.694 2.442 1.00 0.00 C ATOM 822 CG LEU A 51 2.310 -11.116 2.496 1.00 0.00 C ATOM 823 CD1 LEU A 51 2.018 -11.869 3.785 1.00 0.00 C ATOM 824 CD2 LEU A 51 1.402 -9.902 2.366 1.00 0.00 C ATOM 0 H LEU A 51 4.012 -8.293 1.940 1.00 0.00 H new ATOM 0 HA LEU A 51 3.461 -9.672 4.307 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.983 -10.273 1.458 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.400 -11.583 2.545 1.00 0.00 H new ATOM 0 HG LEU A 51 2.112 -11.784 1.658 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.968 -12.161 3.806 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.644 -12.760 3.836 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.232 -11.226 4.639 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.360 -10.221 2.406 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.602 -9.209 3.184 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.593 -9.405 1.415 1.00 0.00 H new ATOM 836 N ARG A 52 6.623 -9.544 3.521 1.00 0.00 N ATOM 837 CA ARG A 52 7.970 -9.841 3.995 1.00 0.00 C ATOM 838 C ARG A 52 8.190 -9.278 5.396 1.00 0.00 C ATOM 839 O ARG A 52 8.565 -10.004 6.316 1.00 0.00 O ATOM 840 CB ARG A 52 9.010 -9.268 3.029 1.00 0.00 C ATOM 841 CG ARG A 52 9.711 -10.327 2.194 1.00 0.00 C ATOM 842 CD ARG A 52 9.654 -10.000 0.709 1.00 0.00 C ATOM 843 NE ARG A 52 10.742 -10.633 -0.034 1.00 0.00 N ATOM 844 CZ ARG A 52 12.002 -10.206 -0.008 1.00 0.00 C ATOM 845 NH1 ARG A 52 12.338 -9.149 0.720 1.00 0.00 N ATOM 846 NH2 ARG A 52 12.929 -10.841 -0.712 1.00 0.00 N ATOM 0 H ARG A 52 6.586 -8.910 2.723 1.00 0.00 H new ATOM 0 HA ARG A 52 8.084 -10.924 4.038 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.522 -8.556 2.363 1.00 0.00 H new ATOM 0 HB3 ARG A 52 9.756 -8.713 3.598 1.00 0.00 H new ATOM 0 HG2 ARG A 52 10.751 -10.409 2.509 1.00 0.00 H new ATOM 0 HG3 ARG A 52 9.246 -11.297 2.371 1.00 0.00 H new ATOM 0 HD2 ARG A 52 8.698 -10.329 0.302 1.00 0.00 H new ATOM 0 HD3 ARG A 52 9.703 -8.920 0.574 1.00 0.00 H new ATOM 0 HE ARG A 52 10.523 -11.449 -0.605 1.00 0.00 H new ATOM 0 HH11 ARG A 52 11.629 -8.658 1.264 1.00 0.00 H new ATOM 0 HH12 ARG A 52 13.306 -8.827 0.735 1.00 0.00 H new ATOM 0 HH21 ARG A 52 12.676 -11.655 -1.272 1.00 0.00 H new ATOM 0 HH22 ARG A 52 13.895 -10.515 -0.694 1.00 0.00 H new ATOM 860 N LYS A 53 7.952 -7.979 5.550 1.00 0.00 N ATOM 861 CA LYS A 53 8.124 -7.317 6.839 1.00 0.00 C ATOM 862 C LYS A 53 6.802 -6.741 7.335 1.00 0.00 C ATOM 863 O LYS A 53 6.437 -5.614 6.998 1.00 0.00 O ATOM 864 CB LYS A 53 9.169 -6.206 6.731 1.00 0.00 C ATOM 865 CG LYS A 53 8.980 -5.310 5.517 1.00 0.00 C ATOM 866 CD LYS A 53 9.974 -4.159 5.515 1.00 0.00 C ATOM 867 CE LYS A 53 9.686 -3.176 4.391 1.00 0.00 C ATOM 868 NZ LYS A 53 9.834 -3.807 3.051 1.00 0.00 N ATOM 0 H LYS A 53 7.640 -7.364 4.799 1.00 0.00 H new ATOM 0 HA LYS A 53 8.468 -8.061 7.558 1.00 0.00 H new ATOM 0 HB2 LYS A 53 9.132 -5.595 7.633 1.00 0.00 H new ATOM 0 HB3 LYS A 53 10.162 -6.655 6.690 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.100 -5.898 4.607 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.964 -4.915 5.509 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.933 -3.640 6.473 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.986 -4.551 5.407 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.674 -2.787 4.499 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.364 -2.326 4.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.763 -3.077 2.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.761 -4.274 2.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.081 -4.511 2.914 1.00 0.00 H new ATOM 882 N LYS A 54 6.084 -7.524 8.136 1.00 0.00 N ATOM 883 CA LYS A 54 4.802 -7.093 8.679 1.00 0.00 C ATOM 884 C LYS A 54 4.993 -6.070 9.795 1.00 0.00 C ATOM 885 O LYS A 54 4.106 -5.261 10.067 1.00 0.00 O ATOM 886 CB LYS A 54 4.018 -8.297 9.206 1.00 0.00 C ATOM 887 CG LYS A 54 3.410 -9.155 8.109 1.00 0.00 C ATOM 888 CD LYS A 54 2.418 -10.159 8.671 1.00 0.00 C ATOM 889 CE LYS A 54 2.059 -11.221 7.644 1.00 0.00 C ATOM 890 NZ LYS A 54 0.758 -10.934 6.980 1.00 0.00 N ATOM 0 H LYS A 54 6.370 -8.460 8.423 1.00 0.00 H new ATOM 0 HA LYS A 54 4.238 -6.621 7.874 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.681 -8.914 9.813 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.223 -7.943 9.862 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.909 -8.516 7.382 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.202 -9.683 7.578 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.842 -10.635 9.555 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.514 -9.640 8.990 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.846 -11.279 6.892 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.011 -12.195 8.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 0.550 -11.681 6.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.003 -10.904 7.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.811 -10.016 6.494 1.00 0.00 H new ATOM 904 N SER A 55 6.156 -6.110 10.440 1.00 0.00 N ATOM 905 CA SER A 55 6.459 -5.187 11.527 1.00 0.00 C ATOM 906 C SER A 55 6.536 -3.749 11.021 1.00 0.00 C ATOM 907 O SER A 55 6.144 -2.815 11.719 1.00 0.00 O ATOM 908 CB SER A 55 7.779 -5.572 12.197 1.00 0.00 C ATOM 909 OG SER A 55 7.569 -6.522 13.228 1.00 0.00 O ATOM 0 H SER A 55 6.903 -6.772 10.228 1.00 0.00 H new ATOM 0 HA SER A 55 5.653 -5.252 12.257 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.462 -5.983 11.453 1.00 0.00 H new ATOM 0 HB3 SER A 55 8.254 -4.682 12.609 1.00 0.00 H new ATOM 0 HG SER A 55 8.428 -6.753 13.640 1.00 0.00 H new ATOM 915 N LYS A 56 7.046 -3.580 9.805 1.00 0.00 N ATOM 916 CA LYS A 56 7.175 -2.255 9.209 1.00 0.00 C ATOM 917 C LYS A 56 5.895 -1.855 8.481 1.00 0.00 C ATOM 918 O LYS A 56 5.198 -2.698 7.919 1.00 0.00 O ATOM 919 CB LYS A 56 8.360 -2.222 8.240 1.00 0.00 C ATOM 920 CG LYS A 56 9.265 -1.014 8.426 1.00 0.00 C ATOM 921 CD LYS A 56 8.526 0.284 8.147 1.00 0.00 C ATOM 922 CE LYS A 56 9.434 1.312 7.492 1.00 0.00 C ATOM 923 NZ LYS A 56 10.606 1.643 8.349 1.00 0.00 N ATOM 0 H LYS A 56 7.376 -4.343 9.214 1.00 0.00 H new ATOM 0 HA LYS A 56 7.351 -1.539 10.012 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.949 -3.130 8.369 1.00 0.00 H new ATOM 0 HB3 LYS A 56 7.983 -2.229 7.217 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.652 -1.002 9.445 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.124 -1.095 7.760 1.00 0.00 H new ATOM 0 HD2 LYS A 56 7.672 0.086 7.499 1.00 0.00 H new ATOM 0 HD3 LYS A 56 8.132 0.687 9.080 1.00 0.00 H new ATOM 0 HE2 LYS A 56 9.782 0.930 6.532 1.00 0.00 H new ATOM 0 HE3 LYS A 56 8.866 2.220 7.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 11.126 2.442 7.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 10.278 1.902 9.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 11.234 0.816 8.413 1.00 0.00 H new ATOM 937 N LYS A 57 5.593 -0.560 8.497 1.00 0.00 N ATOM 938 CA LYS A 57 4.397 -0.044 7.840 1.00 0.00 C ATOM 939 C LYS A 57 4.727 1.185 6.999 1.00 0.00 C ATOM 940 O LYS A 57 5.733 1.856 7.231 1.00 0.00 O ATOM 941 CB LYS A 57 3.329 0.303 8.880 1.00 0.00 C ATOM 942 CG LYS A 57 2.249 -0.759 9.021 1.00 0.00 C ATOM 943 CD LYS A 57 1.892 -1.006 10.480 1.00 0.00 C ATOM 944 CE LYS A 57 0.416 -0.756 10.747 1.00 0.00 C ATOM 945 NZ LYS A 57 0.192 0.520 11.482 1.00 0.00 N ATOM 0 H LYS A 57 6.160 0.151 8.958 1.00 0.00 H new ATOM 0 HA LYS A 57 4.010 -0.820 7.179 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.810 0.451 9.847 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.863 1.250 8.608 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.358 -0.447 8.476 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.591 -1.689 8.567 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.141 -2.033 10.747 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.492 -0.356 11.117 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.124 -0.729 9.801 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.006 -1.584 11.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.827 0.653 11.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.686 0.485 12.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.560 1.314 10.919 1.00 0.00 H new ATOM 959 N GLY A 58 3.873 1.477 6.024 1.00 0.00 N ATOM 960 CA GLY A 58 4.093 2.627 5.165 1.00 0.00 C ATOM 961 C GLY A 58 3.001 2.792 4.124 1.00 0.00 C ATOM 962 O GLY A 58 2.004 2.071 4.142 1.00 0.00 O ATOM 0 H GLY A 58 3.033 0.939 5.813 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.147 3.528 5.776 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.055 2.523 4.664 1.00 0.00 H new ATOM 966 N ILE A 59 3.189 3.746 3.216 1.00 0.00 N ATOM 967 CA ILE A 59 2.208 4.007 2.168 1.00 0.00 C ATOM 968 C ILE A 59 2.780 3.721 0.784 1.00 0.00 C ATOM 969 O ILE A 59 3.996 3.675 0.600 1.00 0.00 O ATOM 970 CB ILE A 59 1.718 5.468 2.210 1.00 0.00 C ATOM 971 CG1 ILE A 59 2.901 6.429 2.057 1.00 0.00 C ATOM 972 CG2 ILE A 59 0.967 5.737 3.507 1.00 0.00 C ATOM 973 CD1 ILE A 59 2.529 7.885 2.245 1.00 0.00 C ATOM 0 H ILE A 59 4.010 4.350 3.185 1.00 0.00 H new ATOM 0 HA ILE A 59 1.368 3.338 2.355 1.00 0.00 H new ATOM 0 HB ILE A 59 1.033 5.633 1.378 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.670 6.163 2.782 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.338 6.299 1.067 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.627 6.773 3.523 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.106 5.071 3.574 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.629 5.560 4.354 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.416 8.506 2.122 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.782 8.168 1.503 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.120 8.030 3.245 1.00 0.00 H new ATOM 985 N PHE A 60 1.891 3.537 -0.188 1.00 0.00 N ATOM 986 CA PHE A 60 2.302 3.265 -1.560 1.00 0.00 C ATOM 987 C PHE A 60 1.206 3.666 -2.545 1.00 0.00 C ATOM 988 O PHE A 60 0.016 3.602 -2.223 1.00 0.00 O ATOM 989 CB PHE A 60 2.650 1.784 -1.733 1.00 0.00 C ATOM 990 CG PHE A 60 1.521 0.851 -1.397 1.00 0.00 C ATOM 991 CD1 PHE A 60 0.378 0.811 -2.179 1.00 0.00 C ATOM 992 CD2 PHE A 60 1.606 0.012 -0.297 1.00 0.00 C ATOM 993 CE1 PHE A 60 -0.659 -0.050 -1.873 1.00 0.00 C ATOM 994 CE2 PHE A 60 0.573 -0.849 0.015 1.00 0.00 C ATOM 995 CZ PHE A 60 -0.561 -0.881 -0.774 1.00 0.00 C ATOM 0 H PHE A 60 0.881 3.572 -0.050 1.00 0.00 H new ATOM 0 HA PHE A 60 3.190 3.861 -1.771 1.00 0.00 H new ATOM 0 HB2 PHE A 60 2.957 1.611 -2.764 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.506 1.546 -1.101 1.00 0.00 H new ATOM 0 HD1 PHE A 60 0.296 1.460 -3.038 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.490 0.032 0.323 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.544 -0.073 -2.492 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.651 -1.497 0.875 1.00 0.00 H new ATOM 0 HZ PHE A 60 -1.370 -1.555 -0.532 1.00 0.00 H new ATOM 1005 N PRO A 61 1.589 4.093 -3.765 1.00 0.00 N ATOM 1006 CA PRO A 61 0.637 4.511 -4.798 1.00 0.00 C ATOM 1007 C PRO A 61 -0.098 3.329 -5.424 1.00 0.00 C ATOM 1008 O PRO A 61 0.508 2.306 -5.746 1.00 0.00 O ATOM 1009 CB PRO A 61 1.514 5.208 -5.853 1.00 0.00 C ATOM 1010 CG PRO A 61 2.878 5.312 -5.250 1.00 0.00 C ATOM 1011 CD PRO A 61 2.974 4.213 -4.234 1.00 0.00 C ATOM 0 HA PRO A 61 -0.142 5.152 -4.385 1.00 0.00 H new ATOM 0 HB2 PRO A 61 1.540 4.635 -6.780 1.00 0.00 H new ATOM 0 HB3 PRO A 61 1.120 6.194 -6.099 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.649 5.205 -6.013 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.024 6.286 -4.784 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.335 3.284 -4.674 1.00 0.00 H new ATOM 0 HD3 PRO A 61 3.656 4.468 -3.423 1.00 0.00 H new ATOM 1019 N ALA A 62 -1.407 3.481 -5.598 1.00 0.00 N ATOM 1020 CA ALA A 62 -2.232 2.435 -6.190 1.00 0.00 C ATOM 1021 C ALA A 62 -1.951 2.272 -7.685 1.00 0.00 C ATOM 1022 O ALA A 62 -2.424 1.323 -8.312 1.00 0.00 O ATOM 1023 CB ALA A 62 -3.704 2.744 -5.967 1.00 0.00 C ATOM 0 H ALA A 62 -1.921 4.322 -5.336 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.980 1.495 -5.700 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.313 1.957 -6.413 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.907 2.797 -4.897 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.950 3.699 -6.431 1.00 0.00 H new ATOM 1029 N SER A 63 -1.191 3.205 -8.251 1.00 0.00 N ATOM 1030 CA SER A 63 -0.859 3.175 -9.672 1.00 0.00 C ATOM 1031 C SER A 63 -0.310 1.814 -10.102 1.00 0.00 C ATOM 1032 O SER A 63 -0.399 1.446 -11.273 1.00 0.00 O ATOM 1033 CB SER A 63 0.160 4.266 -9.999 1.00 0.00 C ATOM 1034 OG SER A 63 0.376 4.363 -11.396 1.00 0.00 O ATOM 0 H SER A 63 -0.792 3.995 -7.744 1.00 0.00 H new ATOM 0 HA SER A 63 -1.781 3.355 -10.225 1.00 0.00 H new ATOM 0 HB2 SER A 63 -0.193 5.223 -9.616 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.103 4.049 -9.497 1.00 0.00 H new ATOM 0 HG SER A 63 1.031 5.069 -11.578 1.00 0.00 H new ATOM 1040 N TYR A 64 0.264 1.071 -9.160 1.00 0.00 N ATOM 1041 CA TYR A 64 0.828 -0.238 -9.472 1.00 0.00 C ATOM 1042 C TYR A 64 0.425 -1.291 -8.444 1.00 0.00 C ATOM 1043 O TYR A 64 1.244 -2.111 -8.030 1.00 0.00 O ATOM 1044 CB TYR A 64 2.354 -0.148 -9.549 1.00 0.00 C ATOM 1045 CG TYR A 64 3.000 0.322 -8.267 1.00 0.00 C ATOM 1046 CD1 TYR A 64 3.172 1.676 -8.006 1.00 0.00 C ATOM 1047 CD2 TYR A 64 3.439 -0.590 -7.314 1.00 0.00 C ATOM 1048 CE1 TYR A 64 3.763 2.107 -6.834 1.00 0.00 C ATOM 1049 CE2 TYR A 64 4.031 -0.166 -6.140 1.00 0.00 C ATOM 1050 CZ TYR A 64 4.191 1.183 -5.905 1.00 0.00 C ATOM 1051 OH TYR A 64 4.780 1.609 -4.738 1.00 0.00 O ATOM 0 H TYR A 64 0.350 1.350 -8.183 1.00 0.00 H new ATOM 0 HA TYR A 64 0.428 -0.545 -10.439 1.00 0.00 H new ATOM 0 HB2 TYR A 64 2.754 -1.128 -9.809 1.00 0.00 H new ATOM 0 HB3 TYR A 64 2.629 0.533 -10.355 1.00 0.00 H new ATOM 0 HD1 TYR A 64 2.838 2.403 -8.731 1.00 0.00 H new ATOM 0 HD2 TYR A 64 3.315 -1.648 -7.494 1.00 0.00 H new ATOM 0 HE1 TYR A 64 3.889 3.163 -6.647 1.00 0.00 H new ATOM 0 HE2 TYR A 64 4.367 -0.888 -5.410 1.00 0.00 H new ATOM 0 HH TYR A 64 5.218 2.472 -4.889 1.00 0.00 H new ATOM 1061 N ILE A 65 -0.841 -1.278 -8.041 1.00 0.00 N ATOM 1062 CA ILE A 65 -1.334 -2.250 -7.071 1.00 0.00 C ATOM 1063 C ILE A 65 -2.465 -3.088 -7.656 1.00 0.00 C ATOM 1064 O ILE A 65 -3.363 -2.565 -8.317 1.00 0.00 O ATOM 1065 CB ILE A 65 -1.830 -1.570 -5.780 1.00 0.00 C ATOM 1066 CG1 ILE A 65 -0.782 -0.587 -5.257 1.00 0.00 C ATOM 1067 CG2 ILE A 65 -2.147 -2.619 -4.724 1.00 0.00 C ATOM 1068 CD1 ILE A 65 0.532 -1.241 -4.893 1.00 0.00 C ATOM 0 H ILE A 65 -1.540 -0.611 -8.368 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.492 -2.897 -6.826 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.740 -1.014 -6.006 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.601 0.176 -6.014 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.180 -0.077 -4.380 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -2.497 -2.127 -3.816 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -2.923 -3.287 -5.097 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.249 -3.195 -4.502 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.227 -0.484 -4.530 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.365 -1.984 -4.113 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.953 -1.727 -5.773 1.00 0.00 H new ATOM 1080 N HIS A 66 -2.414 -4.394 -7.409 1.00 0.00 N ATOM 1081 CA HIS A 66 -3.433 -5.309 -7.911 1.00 0.00 C ATOM 1082 C HIS A 66 -3.888 -6.267 -6.815 1.00 0.00 C ATOM 1083 O HIS A 66 -3.122 -7.120 -6.366 1.00 0.00 O ATOM 1084 CB HIS A 66 -2.893 -6.099 -9.103 1.00 0.00 C ATOM 1085 CG HIS A 66 -3.897 -7.028 -9.712 1.00 0.00 C ATOM 1086 ND1 HIS A 66 -4.261 -6.978 -11.041 1.00 0.00 N ATOM 1087 CD2 HIS A 66 -4.614 -8.039 -9.167 1.00 0.00 C ATOM 1088 CE1 HIS A 66 -5.159 -7.915 -11.286 1.00 0.00 C ATOM 1089 NE2 HIS A 66 -5.390 -8.573 -10.165 1.00 0.00 N ATOM 0 H HIS A 66 -1.677 -4.842 -6.864 1.00 0.00 H new ATOM 0 HA HIS A 66 -4.291 -4.719 -8.233 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -2.548 -5.400 -9.865 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -2.025 -6.675 -8.783 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -4.581 -8.365 -8.138 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -5.625 -8.110 -12.241 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -6.040 -9.352 -10.058 1.00 0.00 H new ATOM 1098 N LEU A 67 -5.138 -6.120 -6.389 1.00 0.00 N ATOM 1099 CA LEU A 67 -5.696 -6.973 -5.344 1.00 0.00 C ATOM 1100 C LEU A 67 -5.739 -8.428 -5.795 1.00 0.00 C ATOM 1101 O LEU A 67 -6.344 -8.754 -6.817 1.00 0.00 O ATOM 1102 CB LEU A 67 -7.100 -6.500 -4.965 1.00 0.00 C ATOM 1103 CG LEU A 67 -7.151 -5.433 -3.871 1.00 0.00 C ATOM 1104 CD1 LEU A 67 -6.660 -6.001 -2.548 1.00 0.00 C ATOM 1105 CD2 LEU A 67 -6.325 -4.219 -4.273 1.00 0.00 C ATOM 0 H LEU A 67 -5.784 -5.419 -6.751 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.050 -6.903 -4.469 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.588 -6.107 -5.857 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.681 -7.362 -4.638 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.187 -5.117 -3.744 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.703 -5.227 -1.781 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -7.293 -6.839 -2.254 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.632 -6.345 -2.659 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.372 -3.469 -3.483 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.289 -4.519 -4.427 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.722 -3.798 -5.197 1.00 0.00 H new ATOM 1117 N LYS A 68 -5.098 -9.300 -5.024 1.00 0.00 N ATOM 1118 CA LYS A 68 -5.064 -10.722 -5.342 1.00 0.00 C ATOM 1119 C LYS A 68 -5.980 -11.509 -4.411 1.00 0.00 C ATOM 1120 O LYS A 68 -6.379 -11.018 -3.355 1.00 0.00 O ATOM 1121 CB LYS A 68 -3.635 -11.256 -5.239 1.00 0.00 C ATOM 1122 CG LYS A 68 -2.698 -10.694 -6.298 1.00 0.00 C ATOM 1123 CD LYS A 68 -2.600 -11.616 -7.502 1.00 0.00 C ATOM 1124 CE LYS A 68 -3.446 -11.114 -8.660 1.00 0.00 C ATOM 1125 NZ LYS A 68 -3.824 -12.213 -9.591 1.00 0.00 N ATOM 0 H LYS A 68 -4.595 -9.046 -4.174 1.00 0.00 H new ATOM 0 HA LYS A 68 -5.419 -10.848 -6.365 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.238 -11.020 -4.252 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.655 -12.343 -5.323 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -3.054 -9.714 -6.617 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -1.707 -10.549 -5.868 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.560 -11.694 -7.818 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.924 -12.618 -7.221 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.348 -10.641 -8.272 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -2.895 -10.349 -9.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -4.400 -11.828 -10.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.964 -12.648 -9.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.372 -12.931 -9.076 1.00 0.00 H new ATOM 1139 N GLU A 69 -6.311 -12.733 -4.809 1.00 0.00 N ATOM 1140 CA GLU A 69 -7.179 -13.588 -4.009 1.00 0.00 C ATOM 1141 C GLU A 69 -6.426 -14.162 -2.814 1.00 0.00 C ATOM 1142 O GLU A 69 -6.626 -13.733 -1.678 1.00 0.00 O ATOM 1143 CB GLU A 69 -7.744 -14.723 -4.868 1.00 0.00 C ATOM 1144 CG GLU A 69 -9.224 -14.569 -5.182 1.00 0.00 C ATOM 1145 CD GLU A 69 -9.974 -15.885 -5.114 1.00 0.00 C ATOM 1146 OE1 GLU A 69 -10.146 -16.413 -3.997 1.00 0.00 O ATOM 1147 OE2 GLU A 69 -10.389 -16.387 -6.181 1.00 0.00 O ATOM 0 H GLU A 69 -5.991 -13.155 -5.681 1.00 0.00 H new ATOM 0 HA GLU A 69 -8.003 -12.980 -3.636 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.186 -14.772 -5.803 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -7.587 -15.670 -4.353 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.669 -13.864 -4.480 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.338 -14.141 -6.178 1.00 0.00 H new ATOM 1154 N ALA A 70 -5.560 -15.133 -3.079 1.00 0.00 N ATOM 1155 CA ALA A 70 -4.774 -15.766 -2.025 1.00 0.00 C ATOM 1156 C ALA A 70 -3.671 -16.638 -2.614 1.00 0.00 C ATOM 1157 O ALA A 70 -3.847 -17.845 -2.790 1.00 0.00 O ATOM 1158 CB ALA A 70 -5.677 -16.591 -1.120 1.00 0.00 C ATOM 0 H ALA A 70 -5.384 -15.500 -4.014 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.303 -14.982 -1.433 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.079 -17.058 -0.338 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.427 -15.943 -0.666 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.173 -17.363 -1.708 1.00 0.00 H new ATOM 1164 N ILE A 71 -2.533 -16.021 -2.917 1.00 0.00 N ATOM 1165 CA ILE A 71 -1.402 -16.742 -3.484 1.00 0.00 C ATOM 1166 C ILE A 71 -0.302 -16.943 -2.447 1.00 0.00 C ATOM 1167 O ILE A 71 0.301 -15.982 -1.972 1.00 0.00 O ATOM 1168 CB ILE A 71 -0.815 -16.002 -4.702 1.00 0.00 C ATOM 1169 CG1 ILE A 71 -0.659 -14.510 -4.400 1.00 0.00 C ATOM 1170 CG2 ILE A 71 -1.698 -16.210 -5.924 1.00 0.00 C ATOM 1171 CD1 ILE A 71 0.073 -13.746 -5.482 1.00 0.00 C ATOM 0 H ILE A 71 -2.371 -15.023 -2.779 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.777 -17.714 -3.806 1.00 0.00 H new ATOM 0 HB ILE A 71 0.172 -16.414 -4.914 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.647 -14.071 -4.262 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.123 -14.393 -3.458 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.270 -15.681 -6.776 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.760 -17.274 -6.151 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.697 -15.823 -5.721 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.146 -12.696 -5.200 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.074 -14.159 -5.605 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.473 -13.832 -6.421 1.00 0.00 H new ATOM 1183 N VAL A 72 -0.047 -18.200 -2.100 1.00 0.00 N ATOM 1184 CA VAL A 72 0.980 -18.528 -1.119 1.00 0.00 C ATOM 1185 C VAL A 72 2.376 -18.330 -1.698 1.00 0.00 C ATOM 1186 O VAL A 72 2.767 -19.008 -2.648 1.00 0.00 O ATOM 1187 CB VAL A 72 0.842 -19.983 -0.626 1.00 0.00 C ATOM 1188 CG1 VAL A 72 -0.472 -20.171 0.118 1.00 0.00 C ATOM 1189 CG2 VAL A 72 0.950 -20.954 -1.791 1.00 0.00 C ATOM 0 H VAL A 72 -0.537 -19.008 -2.484 1.00 0.00 H new ATOM 0 HA VAL A 72 0.840 -17.851 -0.276 1.00 0.00 H new ATOM 0 HB VAL A 72 1.657 -20.193 0.066 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.553 -21.203 0.459 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.502 -19.502 0.978 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.304 -19.943 -0.549 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.850 -21.975 -1.424 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.158 -20.748 -2.511 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.920 -20.835 -2.275 1.00 0.00 H new ATOM 1199 N GLU A 73 3.124 -17.395 -1.121 1.00 0.00 N ATOM 1200 CA GLU A 73 4.476 -17.106 -1.580 1.00 0.00 C ATOM 1201 C GLU A 73 5.469 -18.121 -1.020 1.00 0.00 C ATOM 1202 O GLU A 73 5.914 -18.002 0.122 1.00 0.00 O ATOM 1203 CB GLU A 73 4.885 -15.690 -1.172 1.00 0.00 C ATOM 1204 CG GLU A 73 5.540 -14.898 -2.293 1.00 0.00 C ATOM 1205 CD GLU A 73 5.631 -13.417 -1.983 1.00 0.00 C ATOM 1206 OE1 GLU A 73 4.889 -12.949 -1.095 1.00 0.00 O ATOM 1207 OE2 GLU A 73 6.444 -12.725 -2.630 1.00 0.00 O ATOM 0 H GLU A 73 2.815 -16.824 -0.334 1.00 0.00 H new ATOM 0 HA GLU A 73 4.488 -17.178 -2.668 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.003 -15.152 -0.826 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.574 -15.748 -0.329 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.541 -15.290 -2.473 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.972 -15.039 -3.213 1.00 0.00 H new ATOM 1214 N GLY A 74 5.811 -19.115 -1.832 1.00 0.00 N ATOM 1215 CA GLY A 74 6.749 -20.135 -1.399 1.00 0.00 C ATOM 1216 C GLY A 74 6.074 -21.260 -0.640 1.00 0.00 C ATOM 1217 O GLY A 74 5.104 -20.980 0.096 1.00 0.00 O ATOM 1218 OXT GLY A 74 6.513 -22.420 -0.784 1.00 0.00 O ATOM 0 H GLY A 74 5.456 -19.233 -2.781 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.262 -20.545 -2.269 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.510 -19.679 -0.766 1.00 0.00 H new TER 1222 GLY A 74