USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 0 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 6 GLN : amide:sc= -1.08 K(o=-4.4,f=-7!) USER MOD Set 1.2: B 32 GLN :FLIP amide:sc= -3.35! C(o=-6.1!,f=-4.4!) USER MOD Set 2.1: B 19 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: B 64 MET CE :methyl 138:sc= -3.42! (180deg=-8.88!) USER MOD Set 3.1: A 14 HIS : no HE2:sc= -5.58! C(o=-5.6!,f=-5.1!) USER MOD Set 3.2: B 36 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 1 GLN N :NH3+ -139:sc= -3.16! (180deg=-5.29!) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= -1.1 K(o=-1.1,f=-3.3!) USER MOD Single : A 13 GLN :FLIP amide:sc= 0.0649 F(o=-0.51,f=0.065) USER MOD Single : A 19 GLN : amide:sc= -0.201 X(o=-0.2,f=-0.036) USER MOD Single : A 20 GLN : amide:sc=-0.00793 X(o=-0.0079,f=0) USER MOD Single : A 24 GLN : amide:sc= -3.55! C(o=-3.5!,f=-8!) USER MOD Single : A 25 GLN : amide:sc= -0.279 K(o=-0.28,f=-2!) USER MOD Single : B 13 GLN : amide:sc= -0.017 K(o=-0.017,f=-1.5!) USER MOD Single : B 16 ASN :FLIP amide:sc= -0.0687 F(o=-0.63,f=-0.069) USER MOD Single : B 20 GLN : amide:sc= -0.0199 X(o=-0.02,f=-0.2) USER MOD Single : B 23 GLN : amide:sc= -0.845 X(o=-0.84,f=-1.2) USER MOD Single : B 29 THR OG1 : rot -160:sc= -7.98! USER MOD Single : B 31 LYS NZ :NH3+ -115:sc= 0.622 (180deg=-4.52!) USER MOD Single : B 35 LYS NZ :NH3+ 173:sc= 1.16 (180deg=1.01!) USER MOD Single : B 40 GLN : amide:sc= -1.51! C(o=-1.5!,f=-1.5!) USER MOD Single : B 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 43 HIS :FLIP no HD1:sc= -1.55 F(o=-4.1!,f=-1.6) USER MOD Single : B 47 GLN : amide:sc= -0.0148 X(o=-0.015,f=-0.27) USER MOD Single : B 48 SER OG : rot 180:sc= 0 USER MOD Single : B 49 THR OG1 : rot 180:sc= 0.107 USER MOD Single : B 52 TYR OH : rot -67:sc= -3.7! USER MOD Single : B 53 GLN :FLIP amide:sc= -0.385 F(o=-1.4,f=-0.38) USER MOD Single : B 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 57 ASN : amide:sc= -16.2! C(o=-16!,f=-21!) USER MOD Single : B 60 ASN : amide:sc= -2.88! C(o=-2.9!,f=-2.8!) USER MOD Single : B 63 ASN : amide:sc= -4.25! C(o=-4.2!,f=-10!) USER MOD Single : B 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 GLN : amide:sc=-0.00358 X(o=-0.0036,f=0) USER MOD Single : B 69 THR OG1 : rot 171:sc= 0.385! USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 6.825 4.418 13.460 1.00 0.00 N ATOM 2 CA GLN A 1 7.984 4.034 12.674 1.00 0.00 C ATOM 3 C GLN A 1 8.341 2.570 12.935 1.00 0.00 C ATOM 4 O GLN A 1 9.407 2.271 13.470 1.00 0.00 O ATOM 5 CB GLN A 1 9.175 4.949 12.969 1.00 0.00 C ATOM 6 CG GLN A 1 8.706 6.364 13.314 1.00 0.00 C ATOM 7 CD GLN A 1 9.876 7.350 13.288 1.00 0.00 C ATOM 8 OE1 GLN A 1 11.027 6.994 13.484 1.00 0.00 O ATOM 9 NE2 GLN A 1 9.519 8.606 13.039 1.00 0.00 N ATOM 0 H1 GLN A 1 6.196 5.012 12.883 1.00 0.00 H new ATOM 0 H2 GLN A 1 6.313 3.565 13.763 1.00 0.00 H new ATOM 0 H3 GLN A 1 7.135 4.952 14.297 1.00 0.00 H new ATOM 0 HA GLN A 1 7.735 4.145 11.619 1.00 0.00 H new ATOM 0 HB2 GLN A 1 9.755 4.542 13.797 1.00 0.00 H new ATOM 0 HB3 GLN A 1 9.836 4.982 12.103 1.00 0.00 H new ATOM 0 HG2 GLN A 1 7.942 6.681 12.604 1.00 0.00 H new ATOM 0 HG3 GLN A 1 8.244 6.368 14.301 1.00 0.00 H new ATOM 0 HE21 GLN A 1 8.537 8.836 12.884 1.00 0.00 H new ATOM 0 HE22 GLN A 1 10.227 9.340 13.003 1.00 0.00 H new ATOM 10 N PRO A 2 7.402 1.670 12.534 1.00 0.00 N ATOM 11 CA PRO A 2 7.607 0.243 12.720 1.00 0.00 C ATOM 12 C PRO A 2 8.613 -0.303 11.705 1.00 0.00 C ATOM 13 O PRO A 2 8.480 -0.068 10.505 1.00 0.00 O ATOM 14 CB PRO A 2 6.225 -0.374 12.577 1.00 0.00 C ATOM 15 CG PRO A 2 5.377 0.664 11.860 1.00 0.00 C ATOM 16 CD PRO A 2 6.128 1.986 11.897 1.00 0.00 C ATOM 0 HA PRO A 2 8.038 0.003 13.692 1.00 0.00 H new ATOM 0 HB2 PRO A 2 6.269 -1.303 12.008 1.00 0.00 H new ATOM 0 HB3 PRO A 2 5.803 -0.617 13.552 1.00 0.00 H new ATOM 0 HG2 PRO A 2 5.191 0.359 10.830 1.00 0.00 H new ATOM 0 HG3 PRO A 2 4.405 0.763 12.344 1.00 0.00 H new ATOM 0 HD2 PRO A 2 6.275 2.386 10.894 1.00 0.00 H new ATOM 0 HD3 PRO A 2 5.578 2.738 12.463 1.00 0.00 H new ATOM 17 N GLN A 3 9.599 -1.021 12.223 1.00 0.00 N ATOM 18 CA GLN A 3 10.627 -1.602 11.378 1.00 0.00 C ATOM 19 C GLN A 3 10.107 -2.876 10.709 1.00 0.00 C ATOM 20 O GLN A 3 10.377 -3.118 9.533 1.00 0.00 O ATOM 21 CB GLN A 3 11.901 -1.883 12.178 1.00 0.00 C ATOM 22 CG GLN A 3 13.140 -1.389 11.428 1.00 0.00 C ATOM 23 CD GLN A 3 13.689 -0.108 12.059 1.00 0.00 C ATOM 24 OE1 GLN A 3 13.389 0.999 11.641 1.00 0.00 O ATOM 25 NE2 GLN A 3 14.505 -0.318 13.088 1.00 0.00 N ATOM 0 H GLN A 3 9.707 -1.213 13.219 1.00 0.00 H new ATOM 0 HA GLN A 3 10.878 -0.883 10.599 1.00 0.00 H new ATOM 0 HB2 GLN A 3 11.840 -1.393 13.150 1.00 0.00 H new ATOM 0 HB3 GLN A 3 11.988 -2.953 12.366 1.00 0.00 H new ATOM 0 HG2 GLN A 3 13.908 -2.162 11.439 1.00 0.00 H new ATOM 0 HG3 GLN A 3 12.888 -1.205 10.384 1.00 0.00 H new ATOM 0 HE21 GLN A 3 14.714 -1.271 13.387 1.00 0.00 H new ATOM 0 HE22 GLN A 3 14.921 0.473 13.578 1.00 0.00 H new ATOM 26 N LYS A 4 9.372 -3.657 11.486 1.00 0.00 N ATOM 27 CA LYS A 4 8.812 -4.900 10.984 1.00 0.00 C ATOM 28 C LYS A 4 7.956 -4.607 9.750 1.00 0.00 C ATOM 29 O LYS A 4 7.999 -5.349 8.770 1.00 0.00 O ATOM 30 CB LYS A 4 8.059 -5.635 12.094 1.00 0.00 C ATOM 31 CG LYS A 4 9.029 -6.383 13.013 1.00 0.00 C ATOM 32 CD LYS A 4 9.060 -7.875 12.679 1.00 0.00 C ATOM 33 CE LYS A 4 7.953 -8.627 13.420 1.00 0.00 C ATOM 34 NZ LYS A 4 8.424 -9.059 14.754 1.00 0.00 N ATOM 0 H LYS A 4 9.151 -3.453 12.461 1.00 0.00 H new ATOM 0 HA LYS A 4 9.607 -5.576 10.668 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.477 -4.922 12.677 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.353 -6.339 11.654 1.00 0.00 H new ATOM 0 HG2 LYS A 4 10.030 -5.963 12.911 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.730 -6.245 14.052 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.941 -8.013 11.604 1.00 0.00 H new ATOM 0 HD3 LYS A 4 10.031 -8.291 12.949 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.078 -7.986 13.527 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.643 -9.495 12.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.661 -9.568 15.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.245 -9.688 14.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 8.698 -8.225 15.312 1.00 0.00 H new ATOM 35 N CYS A 5 7.199 -3.522 9.839 1.00 0.00 N ATOM 36 CA CYS A 5 6.336 -3.123 8.741 1.00 0.00 C ATOM 37 C CYS A 5 7.210 -2.850 7.516 1.00 0.00 C ATOM 38 O CYS A 5 6.894 -3.292 6.413 1.00 0.00 O ATOM 39 CB CYS A 5 5.477 -1.911 9.110 1.00 0.00 C ATOM 40 SG CYS A 5 3.752 -2.306 9.576 1.00 0.00 S ATOM 0 H CYS A 5 7.166 -2.909 10.653 1.00 0.00 H new ATOM 0 HA CYS A 5 5.637 -3.928 8.514 1.00 0.00 H new ATOM 0 HB2 CYS A 5 5.951 -1.386 9.939 1.00 0.00 H new ATOM 0 HB3 CYS A 5 5.462 -1.223 8.264 1.00 0.00 H new ATOM 41 N GLN A 6 8.292 -2.123 7.751 1.00 0.00 N ATOM 42 CA GLN A 6 9.215 -1.787 6.680 1.00 0.00 C ATOM 43 C GLN A 6 9.846 -3.056 6.103 1.00 0.00 C ATOM 44 O GLN A 6 9.874 -3.243 4.888 1.00 0.00 O ATOM 45 CB GLN A 6 10.290 -0.813 7.167 1.00 0.00 C ATOM 46 CG GLN A 6 10.052 0.591 6.608 1.00 0.00 C ATOM 47 CD GLN A 6 11.270 1.083 5.823 1.00 0.00 C ATOM 48 OE1 GLN A 6 11.882 0.355 5.058 1.00 0.00 O ATOM 49 NE2 GLN A 6 11.587 2.353 6.055 1.00 0.00 N ATOM 0 H GLN A 6 8.550 -1.757 8.667 1.00 0.00 H new ATOM 0 HA GLN A 6 8.654 -1.291 5.887 1.00 0.00 H new ATOM 0 HB2 GLN A 6 10.289 -0.779 8.256 1.00 0.00 H new ATOM 0 HB3 GLN A 6 11.274 -1.168 6.860 1.00 0.00 H new ATOM 0 HG2 GLN A 6 9.176 0.584 5.960 1.00 0.00 H new ATOM 0 HG3 GLN A 6 9.839 1.280 7.425 1.00 0.00 H new ATOM 0 HE21 GLN A 6 11.032 2.906 6.708 1.00 0.00 H new ATOM 0 HE22 GLN A 6 12.385 2.774 5.580 1.00 0.00 H new ATOM 50 N ARG A 7 10.337 -3.895 7.004 1.00 0.00 N ATOM 51 CA ARG A 7 10.966 -5.142 6.601 1.00 0.00 C ATOM 52 C ARG A 7 9.952 -6.043 5.893 1.00 0.00 C ATOM 53 O ARG A 7 10.195 -6.501 4.778 1.00 0.00 O ATOM 54 CB ARG A 7 11.542 -5.884 7.808 1.00 0.00 C ATOM 55 CG ARG A 7 12.806 -5.192 8.325 1.00 0.00 C ATOM 56 CD ARG A 7 14.058 -5.986 7.949 1.00 0.00 C ATOM 57 NE ARG A 7 14.470 -6.847 9.080 1.00 0.00 N ATOM 58 CZ ARG A 7 15.734 -7.272 9.287 1.00 0.00 C ATOM 59 NH1 ARG A 7 16.723 -6.917 8.439 1.00 0.00 N ATOM 60 NH2 ARG A 7 15.989 -8.038 10.331 1.00 0.00 N ATOM 0 H ARG A 7 10.312 -3.736 8.011 1.00 0.00 H new ATOM 0 HA ARG A 7 11.779 -4.897 5.918 1.00 0.00 H new ATOM 0 HB2 ARG A 7 10.797 -5.928 8.602 1.00 0.00 H new ATOM 0 HB3 ARG A 7 11.774 -6.912 7.531 1.00 0.00 H new ATOM 0 HG2 ARG A 7 12.870 -4.186 7.909 1.00 0.00 H new ATOM 0 HG3 ARG A 7 12.750 -5.086 9.408 1.00 0.00 H new ATOM 0 HD2 ARG A 7 13.860 -6.598 7.069 1.00 0.00 H new ATOM 0 HD3 ARG A 7 14.867 -5.303 7.687 1.00 0.00 H new ATOM 0 HE ARG A 7 13.753 -7.138 9.745 1.00 0.00 H new ATOM 0 HH11 ARG A 7 16.517 -6.324 7.635 1.00 0.00 H new ATOM 0 HH12 ARG A 7 17.676 -7.242 8.602 1.00 0.00 H new ATOM 0 HH21 ARG A 7 15.236 -8.300 10.967 1.00 0.00 H new ATOM 0 HH22 ARG A 7 16.939 -8.368 10.502 1.00 0.00 H new ATOM 61 N GLU A 8 8.836 -6.270 6.571 1.00 0.00 N ATOM 62 CA GLU A 8 7.784 -7.108 6.021 1.00 0.00 C ATOM 63 C GLU A 8 7.622 -6.843 4.524 1.00 0.00 C ATOM 64 O GLU A 8 7.547 -7.778 3.728 1.00 0.00 O ATOM 65 CB GLU A 8 6.465 -6.889 6.764 1.00 0.00 C ATOM 66 CG GLU A 8 6.465 -7.617 8.110 1.00 0.00 C ATOM 67 CD GLU A 8 5.453 -6.990 9.072 1.00 0.00 C ATOM 68 OE1 GLU A 8 4.251 -7.021 8.730 1.00 0.00 O ATOM 69 OE2 GLU A 8 5.905 -6.494 10.127 1.00 0.00 O ATOM 0 H GLU A 8 8.638 -5.888 7.496 1.00 0.00 H new ATOM 0 HA GLU A 8 8.069 -8.151 6.155 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.306 -5.822 6.924 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.636 -7.247 6.153 1.00 0.00 H new ATOM 0 HG2 GLU A 8 6.225 -8.669 7.958 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.462 -7.578 8.549 1.00 0.00 H new ATOM 70 N PHE A 9 7.571 -5.563 4.184 1.00 0.00 N ATOM 71 CA PHE A 9 7.419 -5.163 2.796 1.00 0.00 C ATOM 72 C PHE A 9 8.499 -5.799 1.919 1.00 0.00 C ATOM 73 O PHE A 9 8.198 -6.615 1.050 1.00 0.00 O ATOM 74 CB PHE A 9 7.572 -3.641 2.750 1.00 0.00 C ATOM 75 CG PHE A 9 6.508 -2.933 1.909 1.00 0.00 C ATOM 76 CD1 PHE A 9 5.886 -3.599 0.899 1.00 0.00 C ATOM 77 CD2 PHE A 9 6.183 -1.639 2.172 1.00 0.00 C ATOM 78 CE1 PHE A 9 4.898 -2.941 0.119 1.00 0.00 C ATOM 79 CE2 PHE A 9 5.196 -0.981 1.392 1.00 0.00 C ATOM 80 CZ PHE A 9 4.574 -1.647 0.382 1.00 0.00 C ATOM 0 H PHE A 9 7.632 -4.790 4.846 1.00 0.00 H new ATOM 0 HA PHE A 9 6.448 -5.486 2.420 1.00 0.00 H new ATOM 0 HB2 PHE A 9 7.534 -3.252 3.767 1.00 0.00 H new ATOM 0 HB3 PHE A 9 8.557 -3.397 2.351 1.00 0.00 H new ATOM 0 HD1 PHE A 9 6.143 -4.627 0.690 1.00 0.00 H new ATOM 0 HD2 PHE A 9 6.676 -1.111 2.975 1.00 0.00 H new ATOM 0 HE1 PHE A 9 4.404 -3.469 -0.683 1.00 0.00 H new ATOM 0 HE2 PHE A 9 4.939 0.047 1.600 1.00 0.00 H new ATOM 0 HZ PHE A 9 3.822 -1.148 -0.211 1.00 0.00 H new ATOM 81 N GLN A 10 9.736 -5.402 2.179 1.00 0.00 N ATOM 82 CA GLN A 10 10.863 -5.924 1.425 1.00 0.00 C ATOM 83 C GLN A 10 10.972 -7.439 1.612 1.00 0.00 C ATOM 84 O GLN A 10 11.273 -8.164 0.667 1.00 0.00 O ATOM 85 CB GLN A 10 12.164 -5.227 1.830 1.00 0.00 C ATOM 86 CG GLN A 10 13.192 -5.284 0.699 1.00 0.00 C ATOM 87 CD GLN A 10 14.587 -5.602 1.242 1.00 0.00 C ATOM 88 OE1 GLN A 10 15.236 -6.555 0.840 1.00 0.00 O ATOM 89 NE2 GLN A 10 15.011 -4.754 2.175 1.00 0.00 N ATOM 0 H GLN A 10 9.983 -4.725 2.901 1.00 0.00 H new ATOM 0 HA GLN A 10 10.693 -5.719 0.368 1.00 0.00 H new ATOM 0 HB2 GLN A 10 11.959 -4.188 2.088 1.00 0.00 H new ATOM 0 HB3 GLN A 10 12.573 -5.702 2.722 1.00 0.00 H new ATOM 0 HG2 GLN A 10 12.898 -6.043 -0.026 1.00 0.00 H new ATOM 0 HG3 GLN A 10 13.212 -4.330 0.172 1.00 0.00 H new ATOM 0 HE21 GLN A 10 14.417 -3.977 2.466 1.00 0.00 H new ATOM 0 HE22 GLN A 10 15.930 -4.881 2.600 1.00 0.00 H new ATOM 90 N GLN A 11 10.720 -7.870 2.839 1.00 0.00 N ATOM 91 CA GLN A 11 10.786 -9.285 3.163 1.00 0.00 C ATOM 92 C GLN A 11 10.234 -10.121 2.006 1.00 0.00 C ATOM 93 O GLN A 11 10.804 -11.152 1.652 1.00 0.00 O ATOM 94 CB GLN A 11 10.037 -9.587 4.462 1.00 0.00 C ATOM 95 CG GLN A 11 8.749 -10.364 4.186 1.00 0.00 C ATOM 96 CD GLN A 11 8.117 -10.860 5.488 1.00 0.00 C ATOM 97 OE1 GLN A 11 8.332 -10.317 6.558 1.00 0.00 O ATOM 98 NE2 GLN A 11 7.327 -11.918 5.336 1.00 0.00 N ATOM 0 H GLN A 11 10.470 -7.264 3.621 1.00 0.00 H new ATOM 0 HA GLN A 11 11.832 -9.554 3.314 1.00 0.00 H new ATOM 0 HB2 GLN A 11 10.678 -10.164 5.129 1.00 0.00 H new ATOM 0 HB3 GLN A 11 9.800 -8.654 4.974 1.00 0.00 H new ATOM 0 HG2 GLN A 11 8.042 -9.726 3.655 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.964 -11.212 3.536 1.00 0.00 H new ATOM 0 HE21 GLN A 11 7.191 -12.324 4.410 1.00 0.00 H new ATOM 0 HE22 GLN A 11 6.857 -12.324 6.145 1.00 0.00 H new ATOM 99 N GLU A 12 9.131 -9.643 1.448 1.00 0.00 N ATOM 100 CA GLU A 12 8.495 -10.333 0.337 1.00 0.00 C ATOM 101 C GLU A 12 9.083 -9.854 -0.992 1.00 0.00 C ATOM 102 O GLU A 12 10.101 -10.373 -1.447 1.00 0.00 O ATOM 103 CB GLU A 12 6.978 -10.138 0.368 1.00 0.00 C ATOM 104 CG GLU A 12 6.328 -11.057 1.405 1.00 0.00 C ATOM 105 CD GLU A 12 5.712 -12.288 0.736 1.00 0.00 C ATOM 106 OE1 GLU A 12 6.212 -12.655 -0.350 1.00 0.00 O ATOM 107 OE2 GLU A 12 4.755 -12.835 1.326 1.00 0.00 O ATOM 0 H GLU A 12 8.662 -8.787 1.744 1.00 0.00 H new ATOM 0 HA GLU A 12 8.693 -11.400 0.435 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.746 -9.099 0.602 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.561 -10.344 -0.618 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.073 -11.370 2.136 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.558 -10.510 1.949 1.00 0.00 H new ATOM 108 N GLN A 13 8.417 -8.870 -1.577 1.00 0.00 N ATOM 109 CA GLN A 13 8.860 -8.316 -2.844 1.00 0.00 C ATOM 110 C GLN A 13 7.868 -7.260 -3.338 1.00 0.00 C ATOM 111 O GLN A 13 7.236 -7.437 -4.379 1.00 0.00 O ATOM 112 CB GLN A 13 9.053 -9.418 -3.887 1.00 0.00 C ATOM 113 CG GLN A 13 10.537 -9.732 -4.086 1.00 0.00 C ATOM 114 CD GLN A 13 10.770 -11.240 -4.192 1.00 0.00 C ATOM 115 OE1 GLN A 13 10.513 -11.744 -5.396 1.00 0.00 O flip ATOM 116 NE2 GLN A 13 11.156 -11.903 -3.243 1.00 0.00 N flip ATOM 0 H GLN A 13 7.573 -8.442 -1.196 1.00 0.00 H new ATOM 0 HA GLN A 13 9.826 -7.835 -2.690 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.526 -10.319 -3.571 1.00 0.00 H new ATOM 0 HB3 GLN A 13 8.613 -9.107 -4.835 1.00 0.00 H new ATOM 0 HG2 GLN A 13 10.898 -9.240 -4.989 1.00 0.00 H new ATOM 0 HG3 GLN A 13 11.112 -9.329 -3.252 1.00 0.00 H new ATOM 0 HE21 GLN A 13 11.335 -11.453 -2.345 1.00 0.00 H new ATOM 0 HE22 GLN A 13 11.300 -12.907 -3.347 1.00 0.00 H new ATOM 117 N HIS A 14 7.764 -6.187 -2.569 1.00 0.00 N ATOM 118 CA HIS A 14 6.860 -5.103 -2.916 1.00 0.00 C ATOM 119 C HIS A 14 6.066 -5.478 -4.169 1.00 0.00 C ATOM 120 O HIS A 14 6.403 -5.050 -5.272 1.00 0.00 O ATOM 121 CB HIS A 14 7.623 -3.787 -3.069 1.00 0.00 C ATOM 122 CG HIS A 14 9.014 -3.812 -2.481 1.00 0.00 C ATOM 123 ND1 HIS A 14 10.093 -3.188 -3.082 1.00 0.00 N ATOM 124 CD2 HIS A 14 9.490 -4.390 -1.340 1.00 0.00 C ATOM 125 CE1 HIS A 14 11.165 -3.389 -2.329 1.00 0.00 C ATOM 126 NE2 HIS A 14 10.789 -4.135 -1.251 1.00 0.00 N ATOM 0 H HIS A 14 8.290 -6.044 -1.707 1.00 0.00 H new ATOM 0 HA HIS A 14 6.145 -4.948 -2.108 1.00 0.00 H new ATOM 0 HB2 HIS A 14 7.692 -3.540 -4.128 1.00 0.00 H new ATOM 0 HB3 HIS A 14 7.052 -2.990 -2.592 1.00 0.00 H new ATOM 0 HD1 HIS A 14 10.068 -2.663 -3.956 1.00 0.00 H new ATOM 0 HD2 HIS A 14 8.908 -4.959 -0.630 1.00 0.00 H new ATOM 0 HE1 HIS A 14 12.161 -3.026 -2.533 1.00 0.00 H new ATOM 127 N LEU A 15 5.028 -6.273 -3.957 1.00 0.00 N ATOM 128 CA LEU A 15 4.184 -6.710 -5.056 1.00 0.00 C ATOM 129 C LEU A 15 4.098 -5.597 -6.102 1.00 0.00 C ATOM 130 O LEU A 15 4.281 -4.423 -5.780 1.00 0.00 O ATOM 131 CB LEU A 15 2.821 -7.171 -4.535 1.00 0.00 C ATOM 132 CG LEU A 15 2.499 -6.803 -3.085 1.00 0.00 C ATOM 133 CD1 LEU A 15 3.215 -7.741 -2.111 1.00 0.00 C ATOM 134 CD2 LEU A 15 2.819 -5.333 -2.807 1.00 0.00 C ATOM 0 H LEU A 15 4.752 -6.626 -3.041 1.00 0.00 H new ATOM 0 HA LEU A 15 4.621 -7.578 -5.549 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.047 -6.749 -5.177 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.763 -8.255 -4.636 1.00 0.00 H new ATOM 0 HG LEU A 15 1.428 -6.933 -2.929 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.970 -7.459 -1.087 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.894 -8.767 -2.291 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.292 -7.667 -2.260 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.581 -5.099 -1.770 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.879 -5.151 -2.986 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.226 -4.700 -3.467 1.00 0.00 H new ATOM 135 N ARG A 16 3.821 -6.004 -7.332 1.00 0.00 N ATOM 136 CA ARG A 16 3.708 -5.056 -8.427 1.00 0.00 C ATOM 137 C ARG A 16 2.330 -4.392 -8.415 1.00 0.00 C ATOM 138 O ARG A 16 2.227 -3.166 -8.428 1.00 0.00 O ATOM 139 CB ARG A 16 3.925 -5.744 -9.777 1.00 0.00 C ATOM 140 CG ARG A 16 5.397 -5.687 -10.191 1.00 0.00 C ATOM 141 CD ARG A 16 5.579 -6.171 -11.631 1.00 0.00 C ATOM 142 NE ARG A 16 6.355 -5.176 -12.404 1.00 0.00 N ATOM 143 CZ ARG A 16 6.384 -5.121 -13.743 1.00 0.00 C ATOM 144 NH1 ARG A 16 5.682 -6.006 -14.465 1.00 0.00 N ATOM 145 NH2 ARG A 16 7.115 -4.184 -14.360 1.00 0.00 N ATOM 0 H ARG A 16 3.671 -6.978 -7.594 1.00 0.00 H new ATOM 0 HA ARG A 16 4.480 -4.299 -8.291 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.601 -6.783 -9.716 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.311 -5.262 -10.538 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.766 -4.666 -10.097 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.992 -6.304 -9.518 1.00 0.00 H new ATOM 0 HD2 ARG A 16 6.094 -7.132 -11.638 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.606 -6.327 -12.097 1.00 0.00 H new ATOM 0 HE ARG A 16 6.902 -4.489 -11.885 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.126 -6.721 -13.995 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.704 -5.965 -15.484 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.650 -3.511 -13.811 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.136 -4.143 -15.379 1.00 0.00 H new ATOM 146 N ALA A 17 1.305 -5.230 -8.392 1.00 0.00 N ATOM 147 CA ALA A 17 -0.062 -4.741 -8.379 1.00 0.00 C ATOM 148 C ALA A 17 -0.147 -3.500 -7.486 1.00 0.00 C ATOM 149 O ALA A 17 -0.994 -2.634 -7.701 1.00 0.00 O ATOM 150 CB ALA A 17 -1.001 -5.857 -7.915 1.00 0.00 C ATOM 0 H ALA A 17 1.394 -6.246 -8.382 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.373 -4.449 -9.382 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.027 -5.489 -7.906 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.925 -6.703 -8.598 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.720 -6.175 -6.911 1.00 0.00 H new ATOM 151 N CYS A 18 0.742 -3.455 -6.505 1.00 0.00 N ATOM 152 CA CYS A 18 0.778 -2.334 -5.580 1.00 0.00 C ATOM 153 C CYS A 18 1.425 -1.145 -6.292 1.00 0.00 C ATOM 154 O CYS A 18 0.984 -0.008 -6.134 1.00 0.00 O ATOM 155 CB CYS A 18 1.512 -2.693 -4.287 1.00 0.00 C ATOM 156 SG CYS A 18 0.465 -3.457 -2.996 1.00 0.00 S ATOM 0 H CYS A 18 1.442 -4.176 -6.330 1.00 0.00 H new ATOM 0 HA CYS A 18 -0.237 -2.070 -5.284 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.326 -3.377 -4.526 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.964 -1.789 -3.880 1.00 0.00 H new ATOM 157 N GLN A 19 2.460 -1.447 -7.062 1.00 0.00 N ATOM 158 CA GLN A 19 3.171 -0.417 -7.799 1.00 0.00 C ATOM 159 C GLN A 19 2.180 0.550 -8.451 1.00 0.00 C ATOM 160 O GLN A 19 2.377 1.763 -8.417 1.00 0.00 O ATOM 161 CB GLN A 19 4.104 -1.034 -8.843 1.00 0.00 C ATOM 162 CG GLN A 19 5.411 -1.504 -8.203 1.00 0.00 C ATOM 163 CD GLN A 19 6.591 -1.308 -9.156 1.00 0.00 C ATOM 164 OE1 GLN A 19 7.307 -2.235 -9.499 1.00 0.00 O ATOM 165 NE2 GLN A 19 6.754 -0.052 -9.565 1.00 0.00 N ATOM 0 H GLN A 19 2.823 -2.391 -7.191 1.00 0.00 H new ATOM 0 HA GLN A 19 3.787 0.145 -7.097 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.608 -1.876 -9.326 1.00 0.00 H new ATOM 0 HB3 GLN A 19 4.319 -0.302 -9.621 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.588 -0.950 -7.281 1.00 0.00 H new ATOM 0 HG3 GLN A 19 5.329 -2.557 -7.932 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.119 0.677 -9.240 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.514 0.182 -10.204 1.00 0.00 H new ATOM 166 N GLN A 20 1.136 -0.025 -9.029 1.00 0.00 N ATOM 167 CA GLN A 20 0.114 0.770 -9.689 1.00 0.00 C ATOM 168 C GLN A 20 -0.568 1.698 -8.681 1.00 0.00 C ATOM 169 O GLN A 20 -0.981 2.802 -9.029 1.00 0.00 O ATOM 170 CB GLN A 20 -0.909 -0.125 -10.391 1.00 0.00 C ATOM 171 CG GLN A 20 -0.731 -0.075 -11.909 1.00 0.00 C ATOM 172 CD GLN A 20 0.229 -1.168 -12.385 1.00 0.00 C ATOM 173 OE1 GLN A 20 -0.165 -2.165 -12.967 1.00 0.00 O ATOM 174 NE2 GLN A 20 1.506 -0.925 -12.106 1.00 0.00 N ATOM 0 H GLN A 20 0.976 -1.032 -9.054 1.00 0.00 H new ATOM 0 HA GLN A 20 0.594 1.383 -10.452 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.799 -1.152 -10.042 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.918 0.195 -10.129 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -1.698 -0.198 -12.396 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.349 0.903 -12.202 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.767 -0.070 -11.616 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.225 -1.594 -12.382 1.00 0.00 H new ATOM 175 N TRP A 21 -0.667 1.213 -7.452 1.00 0.00 N ATOM 176 CA TRP A 21 -1.293 1.985 -6.391 1.00 0.00 C ATOM 177 C TRP A 21 -0.938 3.457 -6.606 1.00 0.00 C ATOM 178 O TRP A 21 -1.758 4.231 -7.097 1.00 0.00 O ATOM 179 CB TRP A 21 -0.875 1.463 -5.015 1.00 0.00 C ATOM 180 CG TRP A 21 -1.652 2.084 -3.852 1.00 0.00 C ATOM 181 CD1 TRP A 21 -2.464 1.471 -2.981 1.00 0.00 C ATOM 182 CD2 TRP A 21 -1.657 3.475 -3.467 1.00 0.00 C ATOM 183 NE1 TRP A 21 -2.990 2.360 -2.066 1.00 0.00 N ATOM 184 CE2 TRP A 21 -2.484 3.617 -2.371 1.00 0.00 C ATOM 185 CE3 TRP A 21 -0.984 4.577 -4.025 1.00 0.00 C ATOM 186 CZ2 TRP A 21 -2.716 4.845 -1.740 1.00 0.00 C ATOM 187 CZ3 TRP A 21 -1.226 5.797 -3.383 1.00 0.00 C ATOM 188 CH2 TRP A 21 -2.056 5.957 -2.279 1.00 0.00 C ATOM 0 H TRP A 21 -0.325 0.295 -7.167 1.00 0.00 H new ATOM 0 HA TRP A 21 -2.377 1.880 -6.425 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -1.009 0.382 -4.992 1.00 0.00 H new ATOM 0 HB3 TRP A 21 0.188 1.656 -4.872 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -2.680 0.413 -2.993 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -3.632 2.135 -1.306 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -0.332 4.489 -4.881 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -3.369 4.930 -0.884 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -0.733 6.676 -3.772 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -2.191 6.934 -1.839 1.00 0.00 H new ATOM 189 N ILE A 22 0.285 3.800 -6.226 1.00 0.00 N ATOM 190 CA ILE A 22 0.757 5.166 -6.372 1.00 0.00 C ATOM 191 C ILE A 22 1.147 5.414 -7.830 1.00 0.00 C ATOM 192 O ILE A 22 0.690 6.377 -8.444 1.00 0.00 O ATOM 193 CB ILE A 22 1.884 5.452 -5.376 1.00 0.00 C ATOM 194 CG1 ILE A 22 1.852 6.911 -4.916 1.00 0.00 C ATOM 195 CG2 ILE A 22 3.244 5.065 -5.962 1.00 0.00 C ATOM 196 CD1 ILE A 22 1.348 7.827 -6.032 1.00 0.00 C ATOM 0 H ILE A 22 0.962 3.156 -5.818 1.00 0.00 H new ATOM 0 HA ILE A 22 -0.038 5.872 -6.131 1.00 0.00 H new ATOM 0 HB ILE A 22 1.726 4.833 -4.493 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.206 7.007 -4.043 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.851 7.221 -4.609 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.027 5.278 -5.235 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.249 4.001 -6.199 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.426 5.640 -6.870 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.335 8.858 -5.679 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.009 7.747 -6.895 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.340 7.529 -6.319 1.00 0.00 H new ATOM 197 N ARG A 23 1.989 4.529 -8.342 1.00 0.00 N ATOM 198 CA ARG A 23 2.446 4.640 -9.717 1.00 0.00 C ATOM 199 C ARG A 23 1.306 5.118 -10.619 1.00 0.00 C ATOM 200 O ARG A 23 1.468 6.074 -11.377 1.00 0.00 O ATOM 201 CB ARG A 23 2.969 3.299 -10.234 1.00 0.00 C ATOM 202 CG ARG A 23 3.774 3.482 -11.522 1.00 0.00 C ATOM 203 CD ARG A 23 4.483 2.184 -11.915 1.00 0.00 C ATOM 204 NE ARG A 23 5.139 2.345 -13.232 1.00 0.00 N ATOM 205 CZ ARG A 23 4.530 2.127 -14.406 1.00 0.00 C ATOM 206 NH1 ARG A 23 3.248 1.738 -14.434 1.00 0.00 N ATOM 207 NH2 ARG A 23 5.203 2.298 -15.552 1.00 0.00 N ATOM 0 H ARG A 23 2.367 3.732 -7.830 1.00 0.00 H new ATOM 0 HA ARG A 23 3.259 5.366 -9.738 1.00 0.00 H new ATOM 0 HB2 ARG A 23 3.595 2.832 -9.474 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.132 2.625 -10.417 1.00 0.00 H new ATOM 0 HG2 ARG A 23 3.111 3.797 -12.328 1.00 0.00 H new ATOM 0 HG3 ARG A 23 4.509 4.275 -11.386 1.00 0.00 H new ATOM 0 HD2 ARG A 23 5.224 1.922 -11.160 1.00 0.00 H new ATOM 0 HD3 ARG A 23 3.765 1.365 -11.955 1.00 0.00 H new ATOM 0 HE ARG A 23 6.115 2.640 -13.247 1.00 0.00 H new ATOM 0 HH11 ARG A 23 2.735 1.608 -13.562 1.00 0.00 H new ATOM 0 HH12 ARG A 23 2.785 1.572 -15.327 1.00 0.00 H new ATOM 0 HH21 ARG A 23 6.179 2.594 -15.531 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.739 2.132 -16.445 1.00 0.00 H new ATOM 208 N GLN A 24 0.179 4.431 -10.507 1.00 0.00 N ATOM 209 CA GLN A 24 -0.988 4.772 -11.303 1.00 0.00 C ATOM 210 C GLN A 24 -1.328 6.255 -11.135 1.00 0.00 C ATOM 211 O GLN A 24 -1.632 6.940 -12.112 1.00 0.00 O ATOM 212 CB GLN A 24 -2.182 3.890 -10.933 1.00 0.00 C ATOM 213 CG GLN A 24 -3.365 4.147 -11.869 1.00 0.00 C ATOM 214 CD GLN A 24 -4.157 5.379 -11.426 1.00 0.00 C ATOM 215 OE1 GLN A 24 -3.841 6.033 -10.447 1.00 0.00 O ATOM 216 NE2 GLN A 24 -5.202 5.657 -12.201 1.00 0.00 N ATOM 0 H GLN A 24 0.049 3.640 -9.877 1.00 0.00 H new ATOM 0 HA GLN A 24 -0.755 4.588 -12.352 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -1.893 2.840 -10.986 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -2.479 4.087 -9.903 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -3.003 4.290 -12.887 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -4.019 3.275 -11.882 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -5.411 5.067 -13.007 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -5.795 6.460 -11.990 1.00 0.00 H new ATOM 217 N GLN A 25 -1.267 6.706 -9.891 1.00 0.00 N ATOM 218 CA GLN A 25 -1.565 8.095 -9.585 1.00 0.00 C ATOM 219 C GLN A 25 -0.398 8.993 -10.000 1.00 0.00 C ATOM 220 O GLN A 25 -0.587 9.967 -10.727 1.00 0.00 O ATOM 221 CB GLN A 25 -1.890 8.271 -8.099 1.00 0.00 C ATOM 222 CG GLN A 25 -1.343 9.598 -7.572 1.00 0.00 C ATOM 223 CD GLN A 25 -2.444 10.413 -6.890 1.00 0.00 C ATOM 224 OE1 GLN A 25 -3.626 10.228 -7.128 1.00 0.00 O ATOM 225 NE2 GLN A 25 -1.991 11.322 -6.033 1.00 0.00 N ATOM 0 H GLN A 25 -1.016 6.135 -9.084 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.446 8.391 -10.155 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -2.969 8.235 -7.952 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -1.463 7.446 -7.529 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.536 9.407 -6.865 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -0.917 10.172 -8.395 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.988 11.424 -5.881 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -2.647 11.917 -5.527 1.00 0.00 H new ATOM 226 N LEU A 26 0.784 8.633 -9.520 1.00 0.00 N ATOM 227 CA LEU A 26 1.981 9.394 -9.833 1.00 0.00 C ATOM 228 C LEU A 26 1.933 9.833 -11.297 1.00 0.00 C ATOM 229 O LEU A 26 2.191 10.995 -11.610 1.00 0.00 O ATOM 230 CB LEU A 26 3.235 8.594 -9.472 1.00 0.00 C ATOM 231 CG LEU A 26 3.909 8.965 -8.149 1.00 0.00 C ATOM 232 CD1 LEU A 26 5.084 8.032 -7.851 1.00 0.00 C ATOM 233 CD2 LEU A 26 4.330 10.436 -8.142 1.00 0.00 C ATOM 0 H LEU A 26 0.938 7.825 -8.917 1.00 0.00 H new ATOM 0 HA LEU A 26 2.024 10.300 -9.229 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.971 7.537 -9.438 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.963 8.715 -10.274 1.00 0.00 H new ATOM 0 HG LEU A 26 3.182 8.834 -7.347 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.545 8.318 -6.905 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.725 7.005 -7.784 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.820 8.107 -8.651 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.806 10.674 -7.191 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.033 10.617 -8.955 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.451 11.067 -8.275 1.00 0.00 H new ATOM 234 N ALA A 27 1.602 8.882 -12.157 1.00 0.00 N ATOM 235 CA ALA A 27 1.518 9.155 -13.581 1.00 0.00 C ATOM 236 C ALA A 27 0.302 10.043 -13.855 1.00 0.00 C ATOM 237 O ALA A 27 -0.822 9.690 -13.501 1.00 0.00 O ATOM 238 CB ALA A 27 1.459 7.835 -14.352 1.00 0.00 C ATOM 0 H ALA A 27 1.388 7.920 -11.894 1.00 0.00 H new ATOM 0 HA ALA A 27 2.403 9.692 -13.921 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.396 8.040 -15.421 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.358 7.253 -14.147 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.581 7.270 -14.039 1.00 0.00 H new ATOM 323 N TRP B 9 -7.175 -7.614 -13.635 1.00 0.00 N ATOM 324 CA TRP B 9 -7.489 -7.343 -12.242 1.00 0.00 C ATOM 325 C TRP B 9 -6.284 -7.760 -11.397 1.00 0.00 C ATOM 326 O TRP B 9 -6.396 -8.637 -10.542 1.00 0.00 O ATOM 327 CB TRP B 9 -8.784 -8.041 -11.825 1.00 0.00 C ATOM 328 CG TRP B 9 -9.775 -8.252 -12.971 1.00 0.00 C ATOM 329 CD1 TRP B 9 -9.892 -9.317 -13.776 1.00 0.00 C ATOM 330 CD2 TRP B 9 -10.790 -7.325 -13.412 1.00 0.00 C ATOM 331 NE1 TRP B 9 -10.903 -9.146 -14.698 1.00 0.00 N ATOM 332 CE2 TRP B 9 -11.467 -7.897 -14.469 1.00 0.00 C ATOM 333 CE3 TRP B 9 -11.124 -6.047 -12.932 1.00 0.00 C ATOM 334 CZ2 TRP B 9 -12.521 -7.261 -15.137 1.00 0.00 C ATOM 335 CZ3 TRP B 9 -12.180 -5.425 -13.609 1.00 0.00 C ATOM 336 CH2 TRP B 9 -12.873 -5.987 -14.676 1.00 0.00 C ATOM 0 HA TRP B 9 -7.671 -6.280 -12.087 1.00 0.00 H new ATOM 0 HB2 TRP B 9 -8.538 -9.009 -11.388 1.00 0.00 H new ATOM 0 HB3 TRP B 9 -9.267 -7.452 -11.045 1.00 0.00 H new ATOM 0 HD1 TRP B 9 -9.272 -10.199 -13.711 1.00 0.00 H new ATOM 0 HE1 TRP B 9 -11.185 -9.813 -15.416 1.00 0.00 H new ATOM 0 HE3 TRP B 9 -10.607 -5.581 -12.106 1.00 0.00 H new ATOM 0 HZ2 TRP B 9 -13.035 -7.729 -15.964 1.00 0.00 H new ATOM 0 HZ3 TRP B 9 -12.477 -4.440 -13.280 1.00 0.00 H new ATOM 0 HH2 TRP B 9 -13.679 -5.443 -15.147 1.00 0.00 H new ATOM 337 N LEU B 10 -5.160 -7.113 -11.666 1.00 0.00 N ATOM 338 CA LEU B 10 -3.935 -7.408 -10.940 1.00 0.00 C ATOM 339 C LEU B 10 -3.986 -6.734 -9.568 1.00 0.00 C ATOM 340 O LEU B 10 -3.653 -7.350 -8.556 1.00 0.00 O ATOM 341 CB LEU B 10 -2.712 -7.016 -11.772 1.00 0.00 C ATOM 342 CG LEU B 10 -1.923 -8.173 -12.391 1.00 0.00 C ATOM 343 CD1 LEU B 10 -2.860 -9.300 -12.833 1.00 0.00 C ATOM 344 CD2 LEU B 10 -1.038 -7.681 -13.538 1.00 0.00 C ATOM 0 H LEU B 10 -5.071 -6.386 -12.376 1.00 0.00 H new ATOM 0 HA LEU B 10 -3.844 -8.480 -10.766 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -3.040 -6.355 -12.575 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -2.037 -6.439 -11.140 1.00 0.00 H new ATOM 0 HG LEU B 10 -1.262 -8.584 -11.628 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -2.275 -10.110 -13.269 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -3.411 -9.675 -11.970 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -3.562 -8.919 -13.575 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -0.488 -8.522 -13.960 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -1.661 -7.230 -14.311 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -0.333 -6.940 -13.162 1.00 0.00 H new ATOM 345 N ARG B 11 -4.407 -5.477 -9.576 1.00 0.00 N ATOM 346 CA ARG B 11 -4.505 -4.713 -8.344 1.00 0.00 C ATOM 347 C ARG B 11 -5.223 -5.530 -7.269 1.00 0.00 C ATOM 348 O ARG B 11 -4.812 -5.534 -6.109 1.00 0.00 O ATOM 349 CB ARG B 11 -5.263 -3.403 -8.569 1.00 0.00 C ATOM 350 CG ARG B 11 -4.768 -2.692 -9.831 1.00 0.00 C ATOM 351 CD ARG B 11 -5.736 -2.909 -10.996 1.00 0.00 C ATOM 352 NE ARG B 11 -4.980 -3.070 -12.258 1.00 0.00 N ATOM 353 CZ ARG B 11 -5.488 -2.814 -13.483 1.00 0.00 C ATOM 354 NH1 ARG B 11 -6.760 -2.382 -13.620 1.00 0.00 N ATOM 355 NH2 ARG B 11 -4.723 -2.992 -14.543 1.00 0.00 N ATOM 0 H ARG B 11 -4.684 -4.969 -10.416 1.00 0.00 H new ATOM 0 HA ARG B 11 -3.492 -4.483 -8.014 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -6.330 -3.607 -8.657 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -5.133 -2.751 -7.705 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -4.663 -1.625 -9.634 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -3.780 -3.066 -10.100 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -6.346 -3.793 -10.813 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -6.418 -2.062 -11.076 1.00 0.00 H new ATOM 0 HE ARG B 11 -4.015 -3.395 -12.199 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -7.344 -2.247 -12.795 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -7.136 -2.191 -14.549 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -3.763 -3.318 -14.430 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -5.091 -2.803 -15.475 1.00 0.00 H new ATOM 356 N GLU B 12 -6.283 -6.204 -7.691 1.00 0.00 N ATOM 357 CA GLU B 12 -7.061 -7.024 -6.778 1.00 0.00 C ATOM 358 C GLU B 12 -6.137 -7.921 -5.952 1.00 0.00 C ATOM 359 O GLU B 12 -6.361 -8.116 -4.758 1.00 0.00 O ATOM 360 CB GLU B 12 -8.098 -7.855 -7.536 1.00 0.00 C ATOM 361 CG GLU B 12 -9.417 -7.092 -7.675 1.00 0.00 C ATOM 362 CD GLU B 12 -10.509 -7.988 -8.263 1.00 0.00 C ATOM 363 OE1 GLU B 12 -10.918 -8.928 -7.547 1.00 0.00 O ATOM 364 OE2 GLU B 12 -10.911 -7.712 -9.414 1.00 0.00 O ATOM 0 H GLU B 12 -6.621 -6.199 -8.653 1.00 0.00 H new ATOM 0 HA GLU B 12 -7.599 -6.365 -6.097 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -7.714 -8.108 -8.524 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -8.271 -8.794 -7.011 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -9.732 -6.722 -6.699 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -9.272 -6.222 -8.315 1.00 0.00 H new ATOM 365 N GLN B 13 -5.119 -8.442 -6.619 1.00 0.00 N ATOM 366 CA GLN B 13 -4.161 -9.314 -5.961 1.00 0.00 C ATOM 367 C GLN B 13 -3.670 -8.676 -4.660 1.00 0.00 C ATOM 368 O GLN B 13 -3.825 -9.254 -3.584 1.00 0.00 O ATOM 369 CB GLN B 13 -2.988 -9.639 -6.888 1.00 0.00 C ATOM 370 CG GLN B 13 -3.435 -10.537 -8.043 1.00 0.00 C ATOM 371 CD GLN B 13 -2.386 -10.562 -9.156 1.00 0.00 C ATOM 372 OE1 GLN B 13 -1.480 -9.746 -9.210 1.00 0.00 O ATOM 373 NE2 GLN B 13 -2.557 -11.541 -10.040 1.00 0.00 N ATOM 0 H GLN B 13 -4.936 -8.277 -7.609 1.00 0.00 H new ATOM 0 HA GLN B 13 -4.660 -10.252 -5.718 1.00 0.00 H new ATOM 0 HB2 GLN B 13 -2.565 -8.715 -7.283 1.00 0.00 H new ATOM 0 HB3 GLN B 13 -2.199 -10.134 -6.322 1.00 0.00 H new ATOM 0 HG2 GLN B 13 -3.605 -11.549 -7.676 1.00 0.00 H new ATOM 0 HG3 GLN B 13 -4.384 -10.178 -8.441 1.00 0.00 H new ATOM 0 HE21 GLN B 13 -3.336 -12.191 -9.937 1.00 0.00 H new ATOM 0 HE22 GLN B 13 -1.909 -11.642 -10.821 1.00 0.00 H new ATOM 374 N CYS B 14 -3.088 -7.495 -4.799 1.00 0.00 N ATOM 375 CA CYS B 14 -2.574 -6.773 -3.648 1.00 0.00 C ATOM 376 C CYS B 14 -3.691 -6.669 -2.607 1.00 0.00 C ATOM 377 O CYS B 14 -3.464 -6.904 -1.421 1.00 0.00 O ATOM 378 CB CYS B 14 -2.030 -5.397 -4.039 1.00 0.00 C ATOM 379 SG CYS B 14 -0.207 -5.243 -3.965 1.00 0.00 S ATOM 0 H CYS B 14 -2.961 -7.019 -5.692 1.00 0.00 H new ATOM 0 HA CYS B 14 -1.731 -7.317 -3.222 1.00 0.00 H new ATOM 0 HB2 CYS B 14 -2.359 -5.166 -5.052 1.00 0.00 H new ATOM 0 HB3 CYS B 14 -2.471 -4.647 -3.382 1.00 0.00 H new ATOM 380 N CYS B 15 -4.874 -6.316 -3.089 1.00 0.00 N ATOM 381 CA CYS B 15 -6.027 -6.179 -2.215 1.00 0.00 C ATOM 382 C CYS B 15 -6.282 -7.528 -1.541 1.00 0.00 C ATOM 383 O CYS B 15 -6.601 -7.582 -0.355 1.00 0.00 O ATOM 384 CB CYS B 15 -7.257 -5.679 -2.977 1.00 0.00 C ATOM 385 SG CYS B 15 -8.447 -4.723 -1.968 1.00 0.00 S ATOM 0 H CYS B 15 -5.059 -6.121 -4.073 1.00 0.00 H new ATOM 0 HA CYS B 15 -5.822 -5.427 -1.453 1.00 0.00 H new ATOM 0 HB2 CYS B 15 -6.924 -5.057 -3.808 1.00 0.00 H new ATOM 0 HB3 CYS B 15 -7.774 -6.537 -3.408 1.00 0.00 H new ATOM 386 N ASN B 16 -6.132 -8.584 -2.327 1.00 0.00 N ATOM 387 CA ASN B 16 -6.342 -9.930 -1.820 1.00 0.00 C ATOM 388 C ASN B 16 -5.212 -10.288 -0.851 1.00 0.00 C ATOM 389 O ASN B 16 -5.446 -10.938 0.167 1.00 0.00 O ATOM 390 CB ASN B 16 -6.333 -10.954 -2.956 1.00 0.00 C ATOM 391 CG ASN B 16 -7.756 -11.385 -3.317 1.00 0.00 C ATOM 392 OD1 ASN B 16 -8.652 -10.407 -3.244 1.00 0.00 O flip ATOM 393 ND2 ASN B 16 -8.022 -12.532 -3.641 1.00 0.00 N flip ATOM 0 H ASN B 16 -5.868 -8.535 -3.311 1.00 0.00 H new ATOM 0 HA ASN B 16 -7.310 -9.955 -1.320 1.00 0.00 H new ATOM 0 HB2 ASN B 16 -5.845 -10.526 -3.832 1.00 0.00 H new ATOM 0 HB3 ASN B 16 -5.749 -11.826 -2.660 1.00 0.00 H new ATOM 0 HD21 ASN B 16 -7.285 -13.236 -3.677 1.00 0.00 H new ATOM 0 HD22 ASN B 16 -8.982 -12.786 -3.876 1.00 0.00 H new ATOM 394 N GLU B 17 -4.013 -9.849 -1.203 1.00 0.00 N ATOM 395 CA GLU B 17 -2.847 -10.114 -0.378 1.00 0.00 C ATOM 396 C GLU B 17 -3.009 -9.462 0.996 1.00 0.00 C ATOM 397 O GLU B 17 -2.866 -10.125 2.022 1.00 0.00 O ATOM 398 CB GLU B 17 -1.568 -9.633 -1.066 1.00 0.00 C ATOM 399 CG GLU B 17 -1.215 -10.528 -2.256 1.00 0.00 C ATOM 400 CD GLU B 17 -1.603 -11.982 -1.983 1.00 0.00 C ATOM 401 OE1 GLU B 17 -0.876 -12.624 -1.193 1.00 0.00 O ATOM 402 OE2 GLU B 17 -2.616 -12.419 -2.568 1.00 0.00 O ATOM 0 H GLU B 17 -3.824 -9.311 -2.049 1.00 0.00 H new ATOM 0 HA GLU B 17 -2.762 -11.192 -0.239 1.00 0.00 H new ATOM 0 HB2 GLU B 17 -1.698 -8.605 -1.405 1.00 0.00 H new ATOM 0 HB3 GLU B 17 -0.745 -9.631 -0.351 1.00 0.00 H new ATOM 0 HG2 GLU B 17 -1.730 -10.172 -3.148 1.00 0.00 H new ATOM 0 HG3 GLU B 17 -0.146 -10.465 -2.458 1.00 0.00 H new ATOM 403 N LEU B 18 -3.305 -8.172 0.971 1.00 0.00 N ATOM 404 CA LEU B 18 -3.489 -7.422 2.204 1.00 0.00 C ATOM 405 C LEU B 18 -4.687 -7.990 2.967 1.00 0.00 C ATOM 406 O LEU B 18 -4.634 -8.148 4.186 1.00 0.00 O ATOM 407 CB LEU B 18 -3.600 -5.925 1.908 1.00 0.00 C ATOM 408 CG LEU B 18 -4.532 -5.535 0.759 1.00 0.00 C ATOM 409 CD1 LEU B 18 -5.791 -4.844 1.284 1.00 0.00 C ATOM 410 CD2 LEU B 18 -3.798 -4.679 -0.275 1.00 0.00 C ATOM 0 H LEU B 18 -3.422 -7.626 0.118 1.00 0.00 H new ATOM 0 HA LEU B 18 -2.619 -7.531 2.851 1.00 0.00 H new ATOM 0 HB2 LEU B 18 -3.940 -5.420 2.812 1.00 0.00 H new ATOM 0 HB3 LEU B 18 -2.603 -5.544 1.686 1.00 0.00 H new ATOM 0 HG LEU B 18 -4.852 -6.447 0.255 1.00 0.00 H new ATOM 0 HD11 LEU B 18 -6.436 -4.577 0.447 1.00 0.00 H new ATOM 0 HD12 LEU B 18 -6.325 -5.519 1.952 1.00 0.00 H new ATOM 0 HD13 LEU B 18 -5.511 -3.942 1.828 1.00 0.00 H new ATOM 0 HD21 LEU B 18 -4.483 -4.415 -1.081 1.00 0.00 H new ATOM 0 HD22 LEU B 18 -3.430 -3.770 0.201 1.00 0.00 H new ATOM 0 HD23 LEU B 18 -2.958 -5.241 -0.682 1.00 0.00 H new ATOM 411 N TYR B 19 -5.742 -8.280 2.218 1.00 0.00 N ATOM 412 CA TYR B 19 -6.952 -8.826 2.808 1.00 0.00 C ATOM 413 C TYR B 19 -6.638 -10.053 3.667 1.00 0.00 C ATOM 414 O TYR B 19 -7.183 -10.208 4.758 1.00 0.00 O ATOM 415 CB TYR B 19 -7.839 -9.251 1.636 1.00 0.00 C ATOM 416 CG TYR B 19 -9.078 -8.376 1.444 1.00 0.00 C ATOM 417 CD1 TYR B 19 -9.009 -7.018 1.683 1.00 0.00 C ATOM 418 CD2 TYR B 19 -10.267 -8.943 1.032 1.00 0.00 C ATOM 419 CE1 TYR B 19 -10.175 -6.194 1.502 1.00 0.00 C ATOM 420 CE2 TYR B 19 -11.434 -8.119 0.852 1.00 0.00 C ATOM 421 CZ TYR B 19 -11.331 -6.785 1.096 1.00 0.00 C ATOM 422 OH TYR B 19 -12.433 -6.006 0.925 1.00 0.00 O ATOM 0 H TYR B 19 -5.783 -8.147 1.208 1.00 0.00 H new ATOM 0 HA TYR B 19 -7.433 -8.087 3.449 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -7.248 -9.231 0.721 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -8.156 -10.283 1.789 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -8.079 -6.574 2.006 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -10.322 -10.005 0.845 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -10.133 -5.130 1.684 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -12.370 -8.551 0.530 1.00 0.00 H new ATOM 0 HH TYR B 19 -13.185 -6.562 0.632 1.00 0.00 H new ATOM 423 N GLN B 20 -5.759 -10.894 3.140 1.00 0.00 N ATOM 424 CA GLN B 20 -5.365 -12.102 3.843 1.00 0.00 C ATOM 425 C GLN B 20 -4.372 -11.769 4.958 1.00 0.00 C ATOM 426 O GLN B 20 -4.332 -12.446 5.983 1.00 0.00 O ATOM 427 CB GLN B 20 -4.780 -13.134 2.877 1.00 0.00 C ATOM 428 CG GLN B 20 -5.889 -13.868 2.121 1.00 0.00 C ATOM 429 CD GLN B 20 -5.899 -15.358 2.472 1.00 0.00 C ATOM 430 OE1 GLN B 20 -4.879 -16.027 2.477 1.00 0.00 O ATOM 431 NE2 GLN B 20 -7.105 -15.836 2.765 1.00 0.00 N ATOM 0 H GLN B 20 -5.309 -10.762 2.234 1.00 0.00 H new ATOM 0 HA GLN B 20 -6.254 -12.541 4.295 1.00 0.00 H new ATOM 0 HB2 GLN B 20 -4.118 -12.638 2.167 1.00 0.00 H new ATOM 0 HB3 GLN B 20 -4.175 -13.853 3.430 1.00 0.00 H new ATOM 0 HG2 GLN B 20 -6.855 -13.426 2.366 1.00 0.00 H new ATOM 0 HG3 GLN B 20 -5.745 -13.745 1.048 1.00 0.00 H new ATOM 0 HE21 GLN B 20 -7.917 -15.220 2.741 1.00 0.00 H new ATOM 0 HE22 GLN B 20 -7.217 -16.819 3.013 1.00 0.00 H new ATOM 432 N GLU B 21 -3.593 -10.723 4.718 1.00 0.00 N ATOM 433 CA GLU B 21 -2.601 -10.291 5.689 1.00 0.00 C ATOM 434 C GLU B 21 -3.262 -9.451 6.784 1.00 0.00 C ATOM 435 O GLU B 21 -4.435 -9.645 7.097 1.00 0.00 O ATOM 436 CB GLU B 21 -1.471 -9.516 5.009 1.00 0.00 C ATOM 437 CG GLU B 21 -0.137 -9.759 5.717 1.00 0.00 C ATOM 438 CD GLU B 21 0.692 -8.474 5.781 1.00 0.00 C ATOM 439 OE1 GLU B 21 0.459 -7.630 6.659 1.00 0.00 O ATOM 440 OE2 GLU B 21 1.608 -8.371 4.878 1.00 0.00 O ATOM 0 H GLU B 21 -3.629 -10.163 3.866 1.00 0.00 H new ATOM 0 HA GLU B 21 -2.163 -11.175 6.152 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -1.394 -9.820 3.965 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -1.701 -8.451 5.015 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -0.319 -10.129 6.726 1.00 0.00 H new ATOM 0 HG3 GLU B 21 0.423 -10.531 5.190 1.00 0.00 H new ATOM 441 N ASP B 22 -2.479 -8.534 7.335 1.00 0.00 N ATOM 442 CA ASP B 22 -2.972 -7.664 8.388 1.00 0.00 C ATOM 443 C ASP B 22 -2.785 -6.204 7.966 1.00 0.00 C ATOM 444 O ASP B 22 -1.665 -5.770 7.700 1.00 0.00 O ATOM 445 CB ASP B 22 -2.201 -7.883 9.690 1.00 0.00 C ATOM 446 CG ASP B 22 -1.575 -9.270 9.846 1.00 0.00 C ATOM 447 OD1 ASP B 22 -0.491 -9.546 9.311 1.00 0.00 O ATOM 448 OD2 ASP B 22 -2.258 -10.098 10.562 1.00 0.00 O ATOM 0 H ASP B 22 -1.507 -8.375 7.071 1.00 0.00 H new ATOM 0 HA ASP B 22 -4.025 -7.894 8.551 1.00 0.00 H new ATOM 0 HB2 ASP B 22 -1.411 -7.135 9.757 1.00 0.00 H new ATOM 0 HB3 ASP B 22 -2.876 -7.709 10.528 1.00 0.00 H new ATOM 449 N GLN B 23 -3.898 -5.488 7.919 1.00 0.00 N ATOM 450 CA GLN B 23 -3.870 -4.087 7.535 1.00 0.00 C ATOM 451 C GLN B 23 -2.781 -3.344 8.312 1.00 0.00 C ATOM 452 O GLN B 23 -2.422 -2.221 7.965 1.00 0.00 O ATOM 453 CB GLN B 23 -5.237 -3.433 7.748 1.00 0.00 C ATOM 454 CG GLN B 23 -5.331 -2.797 9.135 1.00 0.00 C ATOM 455 CD GLN B 23 -4.951 -1.315 9.087 1.00 0.00 C ATOM 456 OE1 GLN B 23 -5.381 -0.566 8.224 1.00 0.00 O ATOM 457 NE2 GLN B 23 -4.125 -0.936 10.057 1.00 0.00 N ATOM 0 H GLN B 23 -4.825 -5.851 8.140 1.00 0.00 H new ATOM 0 HA GLN B 23 -3.636 -4.027 6.472 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -5.404 -2.674 6.984 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -6.023 -4.179 7.632 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -6.345 -2.904 9.520 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -4.671 -3.323 9.825 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -3.803 -1.615 10.747 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -3.813 0.034 10.111 1.00 0.00 H new ATOM 458 N VAL B 24 -2.286 -4.003 9.351 1.00 0.00 N ATOM 459 CA VAL B 24 -1.246 -3.420 10.179 1.00 0.00 C ATOM 460 C VAL B 24 -0.319 -2.572 9.307 1.00 0.00 C ATOM 461 O VAL B 24 0.084 -1.479 9.702 1.00 0.00 O ATOM 462 CB VAL B 24 -0.505 -4.521 10.942 1.00 0.00 C ATOM 463 CG1 VAL B 24 0.935 -4.658 10.447 1.00 0.00 C ATOM 464 CG2 VAL B 24 -0.545 -4.266 12.450 1.00 0.00 C ATOM 0 H VAL B 24 -2.587 -4.935 9.637 1.00 0.00 H new ATOM 0 HA VAL B 24 -1.682 -2.759 10.928 1.00 0.00 H new ATOM 0 HB VAL B 24 -1.016 -5.464 10.748 1.00 0.00 H new ATOM 0 HG11 VAL B 24 1.438 -5.447 11.006 1.00 0.00 H new ATOM 0 HG12 VAL B 24 0.933 -4.909 9.386 1.00 0.00 H new ATOM 0 HG13 VAL B 24 1.462 -3.715 10.595 1.00 0.00 H new ATOM 0 HG21 VAL B 24 -0.011 -5.063 12.968 1.00 0.00 H new ATOM 0 HG22 VAL B 24 -0.071 -3.309 12.670 1.00 0.00 H new ATOM 0 HG23 VAL B 24 -1.581 -4.244 12.788 1.00 0.00 H new ATOM 465 N CYS B 25 -0.008 -3.107 8.135 1.00 0.00 N ATOM 466 CA CYS B 25 0.863 -2.413 7.203 1.00 0.00 C ATOM 467 C CYS B 25 0.094 -2.194 5.899 1.00 0.00 C ATOM 468 O CYS B 25 0.550 -2.596 4.829 1.00 0.00 O ATOM 469 CB CYS B 25 2.169 -3.176 6.973 1.00 0.00 C ATOM 470 SG CYS B 25 3.017 -3.724 8.500 1.00 0.00 S ATOM 0 H CYS B 25 -0.344 -4.014 7.810 1.00 0.00 H new ATOM 0 HA CYS B 25 1.151 -1.448 7.621 1.00 0.00 H new ATOM 0 HB2 CYS B 25 1.959 -4.050 6.357 1.00 0.00 H new ATOM 0 HB3 CYS B 25 2.849 -2.541 6.404 1.00 0.00 H new ATOM 471 N VAL B 26 -1.060 -1.555 6.029 1.00 0.00 N ATOM 472 CA VAL B 26 -1.898 -1.278 4.875 1.00 0.00 C ATOM 473 C VAL B 26 -1.636 0.151 4.393 1.00 0.00 C ATOM 474 O VAL B 26 -1.091 0.354 3.309 1.00 0.00 O ATOM 475 CB VAL B 26 -3.366 -1.533 5.219 1.00 0.00 C ATOM 476 CG1 VAL B 26 -4.229 -0.315 4.883 1.00 0.00 C ATOM 477 CG2 VAL B 26 -3.886 -2.786 4.510 1.00 0.00 C ATOM 0 H VAL B 26 -1.434 -1.221 6.917 1.00 0.00 H new ATOM 0 HA VAL B 26 -1.651 -1.950 4.053 1.00 0.00 H new ATOM 0 HB VAL B 26 -3.433 -1.704 6.293 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -5.268 -0.524 5.138 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -3.881 0.546 5.454 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -4.153 -0.098 3.817 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -4.932 -2.944 4.772 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -3.797 -2.657 3.431 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -3.299 -3.650 4.821 1.00 0.00 H new ATOM 478 N CYS B 27 -2.038 1.104 5.221 1.00 0.00 N ATOM 479 CA CYS B 27 -1.855 2.507 4.893 1.00 0.00 C ATOM 480 C CYS B 27 -0.385 2.865 5.118 1.00 0.00 C ATOM 481 O CYS B 27 0.167 3.710 4.416 1.00 0.00 O ATOM 482 CB CYS B 27 -2.792 3.405 5.704 1.00 0.00 C ATOM 483 SG CYS B 27 -3.767 4.593 4.711 1.00 0.00 S ATOM 0 H CYS B 27 -2.490 0.932 6.119 1.00 0.00 H new ATOM 0 HA CYS B 27 -2.113 2.675 3.847 1.00 0.00 H new ATOM 0 HB2 CYS B 27 -3.479 2.774 6.268 1.00 0.00 H new ATOM 0 HB3 CYS B 27 -2.200 3.961 6.431 1.00 0.00 H new ATOM 484 N PRO B 28 0.224 2.186 6.128 1.00 0.00 N ATOM 485 CA PRO B 28 1.619 2.424 6.455 1.00 0.00 C ATOM 486 C PRO B 28 2.542 1.780 5.418 1.00 0.00 C ATOM 487 O PRO B 28 3.762 1.919 5.497 1.00 0.00 O ATOM 488 CB PRO B 28 1.801 1.848 7.850 1.00 0.00 C ATOM 489 CG PRO B 28 0.631 0.901 8.065 1.00 0.00 C ATOM 490 CD PRO B 28 -0.399 1.177 6.980 1.00 0.00 C ATOM 0 HA PRO B 28 1.880 3.482 6.439 1.00 0.00 H new ATOM 0 HB2 PRO B 28 2.751 1.320 7.934 1.00 0.00 H new ATOM 0 HB3 PRO B 28 1.807 2.638 8.601 1.00 0.00 H new ATOM 0 HG2 PRO B 28 0.965 -0.135 8.019 1.00 0.00 H new ATOM 0 HG3 PRO B 28 0.195 1.051 9.052 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -0.634 0.273 6.417 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -1.335 1.540 7.405 1.00 0.00 H new ATOM 491 N THR B 29 1.926 1.090 4.471 1.00 0.00 N ATOM 492 CA THR B 29 2.676 0.424 3.420 1.00 0.00 C ATOM 493 C THR B 29 2.951 1.390 2.267 1.00 0.00 C ATOM 494 O THR B 29 4.095 1.783 2.039 1.00 0.00 O ATOM 495 CB THR B 29 1.894 -0.821 2.996 1.00 0.00 C ATOM 496 OG1 THR B 29 0.777 -0.848 3.880 1.00 0.00 O ATOM 497 CG2 THR B 29 2.646 -2.118 3.306 1.00 0.00 C ATOM 0 H THR B 29 0.914 0.977 4.409 1.00 0.00 H new ATOM 0 HA THR B 29 3.656 0.104 3.776 1.00 0.00 H new ATOM 0 HB THR B 29 1.682 -0.770 1.928 1.00 0.00 H new ATOM 0 HG1 THR B 29 0.396 -1.751 3.899 1.00 0.00 H new ATOM 0 HG21 THR B 29 2.048 -2.971 2.986 1.00 0.00 H new ATOM 0 HG22 THR B 29 3.598 -2.122 2.775 1.00 0.00 H new ATOM 0 HG23 THR B 29 2.829 -2.185 4.379 1.00 0.00 H new ATOM 498 N LEU B 30 1.883 1.747 1.568 1.00 0.00 N ATOM 499 CA LEU B 30 1.995 2.661 0.444 1.00 0.00 C ATOM 500 C LEU B 30 3.167 3.614 0.682 1.00 0.00 C ATOM 501 O LEU B 30 4.041 3.756 -0.172 1.00 0.00 O ATOM 502 CB LEU B 30 0.664 3.373 0.197 1.00 0.00 C ATOM 503 CG LEU B 30 -0.583 2.669 0.736 1.00 0.00 C ATOM 504 CD1 LEU B 30 -0.592 1.190 0.341 1.00 0.00 C ATOM 505 CD2 LEU B 30 -0.710 2.858 2.250 1.00 0.00 C ATOM 0 H LEU B 30 0.936 1.420 1.759 1.00 0.00 H new ATOM 0 HA LEU B 30 2.211 2.112 -0.473 1.00 0.00 H new ATOM 0 HB2 LEU B 30 0.718 4.366 0.643 1.00 0.00 H new ATOM 0 HB3 LEU B 30 0.543 3.512 -0.877 1.00 0.00 H new ATOM 0 HG LEU B 30 -1.459 3.130 0.279 1.00 0.00 H new ATOM 0 HD11 LEU B 30 -1.489 0.713 0.737 1.00 0.00 H new ATOM 0 HD12 LEU B 30 -0.584 1.104 -0.746 1.00 0.00 H new ATOM 0 HD13 LEU B 30 0.291 0.699 0.750 1.00 0.00 H new ATOM 0 HD21 LEU B 30 -1.605 2.348 2.607 1.00 0.00 H new ATOM 0 HD22 LEU B 30 0.167 2.440 2.744 1.00 0.00 H new ATOM 0 HD23 LEU B 30 -0.783 3.921 2.479 1.00 0.00 H new ATOM 506 N LYS B 31 3.149 4.245 1.848 1.00 0.00 N ATOM 507 CA LYS B 31 4.200 5.181 2.209 1.00 0.00 C ATOM 508 C LYS B 31 5.541 4.661 1.689 1.00 0.00 C ATOM 509 O LYS B 31 6.334 5.421 1.136 1.00 0.00 O ATOM 510 CB LYS B 31 4.185 5.448 3.715 1.00 0.00 C ATOM 511 CG LYS B 31 3.087 6.448 4.084 1.00 0.00 C ATOM 512 CD LYS B 31 1.805 5.724 4.502 1.00 0.00 C ATOM 513 CE LYS B 31 0.578 6.360 3.845 1.00 0.00 C ATOM 514 NZ LYS B 31 -0.263 7.034 4.861 1.00 0.00 N ATOM 0 H LYS B 31 2.423 4.126 2.554 1.00 0.00 H new ATOM 0 HA LYS B 31 4.028 6.148 1.736 1.00 0.00 H new ATOM 0 HB2 LYS B 31 4.026 4.513 4.252 1.00 0.00 H new ATOM 0 HB3 LYS B 31 5.154 5.835 4.029 1.00 0.00 H new ATOM 0 HG2 LYS B 31 3.430 7.087 4.898 1.00 0.00 H new ATOM 0 HG3 LYS B 31 2.881 7.098 3.234 1.00 0.00 H new ATOM 0 HD2 LYS B 31 1.869 4.673 4.221 1.00 0.00 H new ATOM 0 HD3 LYS B 31 1.700 5.759 5.586 1.00 0.00 H new ATOM 0 HE2 LYS B 31 0.894 7.080 3.090 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -0.004 5.595 3.331 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -1.183 6.552 4.925 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 0.213 6.997 5.785 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -0.410 8.026 4.587 1.00 0.00 H new ATOM 515 N GLN B 32 5.754 3.368 1.886 1.00 0.00 N ATOM 516 CA GLN B 32 6.987 2.737 1.445 1.00 0.00 C ATOM 517 C GLN B 32 6.939 2.476 -0.062 1.00 0.00 C ATOM 518 O GLN B 32 7.739 3.027 -0.816 1.00 0.00 O ATOM 519 CB GLN B 32 7.246 1.441 2.217 1.00 0.00 C ATOM 520 CG GLN B 32 8.550 1.530 3.012 1.00 0.00 C ATOM 521 CD GLN B 32 9.593 0.553 2.465 1.00 0.00 C ATOM 522 OE1 GLN B 32 10.837 0.816 2.856 1.00 0.00 O flip ATOM 523 NE2 GLN B 32 9.289 -0.376 1.736 1.00 0.00 N flip ATOM 0 H GLN B 32 5.094 2.740 2.345 1.00 0.00 H new ATOM 0 HA GLN B 32 7.814 3.416 1.651 1.00 0.00 H new ATOM 0 HB2 GLN B 32 6.415 1.244 2.895 1.00 0.00 H new ATOM 0 HB3 GLN B 32 7.296 0.603 1.522 1.00 0.00 H new ATOM 0 HG2 GLN B 32 8.940 2.547 2.966 1.00 0.00 H new ATOM 0 HG3 GLN B 32 8.356 1.310 4.062 1.00 0.00 H new ATOM 0 HE21 GLN B 32 8.314 -0.521 1.474 1.00 0.00 H new ATOM 0 HE22 GLN B 32 10.010 -1.008 1.388 1.00 0.00 H new ATOM 524 N ALA B 33 5.993 1.636 -0.457 1.00 0.00 N ATOM 525 CA ALA B 33 5.831 1.297 -1.860 1.00 0.00 C ATOM 526 C ALA B 33 5.850 2.578 -2.696 1.00 0.00 C ATOM 527 O ALA B 33 6.553 2.656 -3.703 1.00 0.00 O ATOM 528 CB ALA B 33 4.540 0.499 -2.046 1.00 0.00 C ATOM 0 H ALA B 33 5.331 1.180 0.171 1.00 0.00 H new ATOM 0 HA ALA B 33 6.655 0.669 -2.201 1.00 0.00 H new ATOM 0 HB1 ALA B 33 4.418 0.244 -3.099 1.00 0.00 H new ATOM 0 HB2 ALA B 33 4.589 -0.415 -1.455 1.00 0.00 H new ATOM 0 HB3 ALA B 33 3.691 1.098 -1.717 1.00 0.00 H new ATOM 529 N ALA B 34 5.069 3.551 -2.248 1.00 0.00 N ATOM 530 CA ALA B 34 4.987 4.824 -2.942 1.00 0.00 C ATOM 531 C ALA B 34 6.395 5.279 -3.331 1.00 0.00 C ATOM 532 O ALA B 34 6.655 5.582 -4.495 1.00 0.00 O ATOM 533 CB ALA B 34 4.270 5.844 -2.055 1.00 0.00 C ATOM 0 H ALA B 34 4.488 3.482 -1.413 1.00 0.00 H new ATOM 0 HA ALA B 34 4.407 4.724 -3.859 1.00 0.00 H new ATOM 0 HB1 ALA B 34 4.208 6.800 -2.576 1.00 0.00 H new ATOM 0 HB2 ALA B 34 3.265 5.488 -1.830 1.00 0.00 H new ATOM 0 HB3 ALA B 34 4.825 5.972 -1.126 1.00 0.00 H new ATOM 534 N LYS B 35 7.268 5.314 -2.335 1.00 0.00 N ATOM 535 CA LYS B 35 8.644 5.727 -2.559 1.00 0.00 C ATOM 536 C LYS B 35 9.289 4.799 -3.592 1.00 0.00 C ATOM 537 O LYS B 35 9.599 5.223 -4.703 1.00 0.00 O ATOM 538 CB LYS B 35 9.405 5.794 -1.234 1.00 0.00 C ATOM 539 CG LYS B 35 10.319 7.021 -1.190 1.00 0.00 C ATOM 540 CD LYS B 35 9.546 8.265 -0.748 1.00 0.00 C ATOM 541 CE LYS B 35 10.349 9.537 -1.029 1.00 0.00 C ATOM 542 NZ LYS B 35 9.442 10.673 -1.307 1.00 0.00 N ATOM 0 H LYS B 35 7.050 5.063 -1.371 1.00 0.00 H new ATOM 0 HA LYS B 35 8.677 6.736 -2.971 1.00 0.00 H new ATOM 0 HB2 LYS B 35 8.698 5.833 -0.405 1.00 0.00 H new ATOM 0 HB3 LYS B 35 9.998 4.889 -1.105 1.00 0.00 H new ATOM 0 HG2 LYS B 35 11.145 6.839 -0.503 1.00 0.00 H new ATOM 0 HG3 LYS B 35 10.755 7.190 -2.175 1.00 0.00 H new ATOM 0 HD2 LYS B 35 8.591 8.310 -1.272 1.00 0.00 H new ATOM 0 HD3 LYS B 35 9.322 8.199 0.317 1.00 0.00 H new ATOM 0 HE2 LYS B 35 10.982 9.771 -0.173 1.00 0.00 H new ATOM 0 HE3 LYS B 35 11.011 9.376 -1.880 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 9.996 11.550 -1.378 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 8.941 10.506 -2.203 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 8.750 10.762 -0.535 1.00 0.00 H new ATOM 543 N SER B 36 9.470 3.550 -3.187 1.00 0.00 N ATOM 544 CA SER B 36 10.072 2.560 -4.064 1.00 0.00 C ATOM 545 C SER B 36 9.309 2.500 -5.388 1.00 0.00 C ATOM 546 O SER B 36 9.908 2.327 -6.447 1.00 0.00 O ATOM 547 CB SER B 36 10.096 1.182 -3.401 1.00 0.00 C ATOM 548 OG SER B 36 10.548 0.168 -4.295 1.00 0.00 O ATOM 0 H SER B 36 9.211 3.201 -2.264 1.00 0.00 H new ATOM 0 HA SER B 36 11.102 2.857 -4.261 1.00 0.00 H new ATOM 0 HB2 SER B 36 10.747 1.211 -2.527 1.00 0.00 H new ATOM 0 HB3 SER B 36 9.096 0.933 -3.046 1.00 0.00 H new ATOM 0 HG SER B 36 10.551 -0.697 -3.834 1.00 0.00 H new ATOM 549 N VAL B 37 7.995 2.645 -5.284 1.00 0.00 N ATOM 550 CA VAL B 37 7.143 2.610 -6.461 1.00 0.00 C ATOM 551 C VAL B 37 7.873 3.268 -7.633 1.00 0.00 C ATOM 552 O VAL B 37 8.625 2.608 -8.350 1.00 0.00 O ATOM 553 CB VAL B 37 5.796 3.265 -6.152 1.00 0.00 C ATOM 554 CG1 VAL B 37 5.160 3.837 -7.420 1.00 0.00 C ATOM 555 CG2 VAL B 37 4.852 2.279 -5.462 1.00 0.00 C ATOM 0 H VAL B 37 7.500 2.787 -4.403 1.00 0.00 H new ATOM 0 HA VAL B 37 6.930 1.580 -6.748 1.00 0.00 H new ATOM 0 HB VAL B 37 5.976 4.092 -5.466 1.00 0.00 H new ATOM 0 HG11 VAL B 37 4.203 4.297 -7.172 1.00 0.00 H new ATOM 0 HG12 VAL B 37 5.822 4.587 -7.852 1.00 0.00 H new ATOM 0 HG13 VAL B 37 5.001 3.035 -8.141 1.00 0.00 H new ATOM 0 HG21 VAL B 37 3.902 2.770 -5.254 1.00 0.00 H new ATOM 0 HG22 VAL B 37 4.682 1.422 -6.113 1.00 0.00 H new ATOM 0 HG23 VAL B 37 5.299 1.941 -4.527 1.00 0.00 H new ATOM 556 N ARG B 38 7.626 4.559 -7.793 1.00 0.00 N ATOM 557 CA ARG B 38 8.250 5.314 -8.867 1.00 0.00 C ATOM 558 C ARG B 38 9.384 6.181 -8.316 1.00 0.00 C ATOM 559 O ARG B 38 10.557 5.834 -8.450 1.00 0.00 O ATOM 560 CB ARG B 38 7.231 6.208 -9.576 1.00 0.00 C ATOM 561 CG ARG B 38 7.218 5.938 -11.082 1.00 0.00 C ATOM 562 CD ARG B 38 7.829 7.109 -11.854 1.00 0.00 C ATOM 563 NE ARG B 38 8.765 6.603 -12.883 1.00 0.00 N ATOM 564 CZ ARG B 38 9.326 7.373 -13.840 1.00 0.00 C ATOM 565 NH1 ARG B 38 9.048 8.692 -13.909 1.00 0.00 N ATOM 566 NH2 ARG B 38 10.148 6.816 -14.710 1.00 0.00 N ATOM 0 H ARG B 38 7.002 5.102 -7.197 1.00 0.00 H new ATOM 0 HA ARG B 38 8.651 4.599 -9.586 1.00 0.00 H new ATOM 0 HB2 ARG B 38 6.238 6.032 -9.163 1.00 0.00 H new ATOM 0 HB3 ARG B 38 7.471 7.255 -9.393 1.00 0.00 H new ATOM 0 HG2 ARG B 38 7.775 5.026 -11.296 1.00 0.00 H new ATOM 0 HG3 ARG B 38 6.194 5.772 -11.417 1.00 0.00 H new ATOM 0 HD2 ARG B 38 7.040 7.696 -12.325 1.00 0.00 H new ATOM 0 HD3 ARG B 38 8.354 7.773 -11.168 1.00 0.00 H new ATOM 0 HE ARG B 38 9.001 5.611 -12.868 1.00 0.00 H new ATOM 0 HH11 ARG B 38 8.410 9.115 -13.235 1.00 0.00 H new ATOM 0 HH12 ARG B 38 9.476 9.266 -14.635 1.00 0.00 H new ATOM 0 HH21 ARG B 38 10.351 5.818 -14.653 1.00 0.00 H new ATOM 0 HH22 ARG B 38 10.580 7.384 -15.439 1.00 0.00 H new ATOM 567 N VAL B 39 8.995 7.292 -7.710 1.00 0.00 N ATOM 568 CA VAL B 39 9.965 8.212 -7.139 1.00 0.00 C ATOM 569 C VAL B 39 11.375 7.767 -7.531 1.00 0.00 C ATOM 570 O VAL B 39 11.820 6.687 -7.145 1.00 0.00 O ATOM 571 CB VAL B 39 9.768 8.306 -5.625 1.00 0.00 C ATOM 572 CG1 VAL B 39 8.331 7.950 -5.235 1.00 0.00 C ATOM 573 CG2 VAL B 39 10.772 7.421 -4.884 1.00 0.00 C ATOM 0 H VAL B 39 8.022 7.577 -7.601 1.00 0.00 H new ATOM 0 HA VAL B 39 9.819 9.217 -7.536 1.00 0.00 H new ATOM 0 HB VAL B 39 9.950 9.339 -5.328 1.00 0.00 H new ATOM 0 HG11 VAL B 39 8.218 8.025 -4.153 1.00 0.00 H new ATOM 0 HG12 VAL B 39 7.641 8.640 -5.720 1.00 0.00 H new ATOM 0 HG13 VAL B 39 8.109 6.931 -5.553 1.00 0.00 H new ATOM 0 HG21 VAL B 39 10.609 7.507 -3.810 1.00 0.00 H new ATOM 0 HG22 VAL B 39 10.637 6.383 -5.189 1.00 0.00 H new ATOM 0 HG23 VAL B 39 11.786 7.741 -5.124 1.00 0.00 H new ATOM 574 N GLN B 40 12.040 8.624 -8.293 1.00 0.00 N ATOM 575 CA GLN B 40 13.391 8.332 -8.742 1.00 0.00 C ATOM 576 C GLN B 40 13.932 9.491 -9.583 1.00 0.00 C ATOM 577 O GLN B 40 14.112 10.598 -9.078 1.00 0.00 O ATOM 578 CB GLN B 40 13.438 7.019 -9.525 1.00 0.00 C ATOM 579 CG GLN B 40 12.320 6.962 -10.567 1.00 0.00 C ATOM 580 CD GLN B 40 12.859 6.505 -11.924 1.00 0.00 C ATOM 581 OE1 GLN B 40 12.568 7.076 -12.962 1.00 0.00 O ATOM 582 NE2 GLN B 40 13.660 5.444 -11.860 1.00 0.00 N ATOM 0 H GLN B 40 11.669 9.519 -8.610 1.00 0.00 H new ATOM 0 HA GLN B 40 14.027 8.216 -7.865 1.00 0.00 H new ATOM 0 HB2 GLN B 40 14.405 6.920 -10.018 1.00 0.00 H new ATOM 0 HB3 GLN B 40 13.343 6.178 -8.838 1.00 0.00 H new ATOM 0 HG2 GLN B 40 11.540 6.278 -10.232 1.00 0.00 H new ATOM 0 HG3 GLN B 40 11.860 7.945 -10.667 1.00 0.00 H new ATOM 0 HE21 GLN B 40 13.864 5.012 -10.959 1.00 0.00 H new ATOM 0 HE22 GLN B 40 14.070 5.063 -12.712 1.00 0.00 H new ATOM 583 N GLY B 41 14.176 9.196 -10.851 1.00 0.00 N ATOM 584 CA GLY B 41 14.692 10.199 -11.767 1.00 0.00 C ATOM 585 C GLY B 41 13.649 11.285 -12.036 1.00 0.00 C ATOM 586 O GLY B 41 13.657 12.333 -11.390 1.00 0.00 O ATOM 0 H GLY B 41 14.026 8.276 -11.266 1.00 0.00 H new ATOM 0 HA2 GLY B 41 15.592 10.650 -11.349 1.00 0.00 H new ATOM 0 HA3 GLY B 41 14.980 9.726 -12.706 1.00 0.00 H new ATOM 587 N GLN B 42 12.776 10.999 -12.989 1.00 0.00 N ATOM 588 CA GLN B 42 11.727 11.938 -13.351 1.00 0.00 C ATOM 589 C GLN B 42 10.949 12.370 -12.108 1.00 0.00 C ATOM 590 O GLN B 42 10.130 13.286 -12.170 1.00 0.00 O ATOM 591 CB GLN B 42 10.792 11.337 -14.403 1.00 0.00 C ATOM 592 CG GLN B 42 10.868 12.120 -15.716 1.00 0.00 C ATOM 593 CD GLN B 42 12.144 11.774 -16.487 1.00 0.00 C ATOM 594 OE1 GLN B 42 12.255 10.738 -17.121 1.00 0.00 O ATOM 595 NE2 GLN B 42 13.098 12.697 -16.396 1.00 0.00 N ATOM 0 H GLN B 42 12.773 10.130 -13.523 1.00 0.00 H new ATOM 0 HA GLN B 42 12.192 12.821 -13.789 1.00 0.00 H new ATOM 0 HB2 GLN B 42 11.060 10.296 -14.581 1.00 0.00 H new ATOM 0 HB3 GLN B 42 9.768 11.343 -14.030 1.00 0.00 H new ATOM 0 HG2 GLN B 42 9.996 11.894 -16.329 1.00 0.00 H new ATOM 0 HG3 GLN B 42 10.843 13.190 -15.508 1.00 0.00 H new ATOM 0 HE21 GLN B 42 12.939 13.542 -15.848 1.00 0.00 H new ATOM 0 HE22 GLN B 42 13.988 12.559 -16.874 1.00 0.00 H new ATOM 596 N HIS B 43 11.231 11.690 -11.006 1.00 0.00 N ATOM 597 CA HIS B 43 10.567 11.992 -9.749 1.00 0.00 C ATOM 598 C HIS B 43 11.603 12.063 -8.625 1.00 0.00 C ATOM 599 O HIS B 43 11.506 11.333 -7.640 1.00 0.00 O ATOM 600 CB HIS B 43 9.454 10.981 -9.466 1.00 0.00 C ATOM 601 CG HIS B 43 8.501 11.407 -8.375 1.00 0.00 C ATOM 602 ND1 HIS B 43 8.555 11.227 -7.024 1.00 0.00 N flip ATOM 603 CD2 HIS B 43 7.332 12.103 -8.630 1.00 0.00 C flip ATOM 604 CE1 HIS B 43 7.478 11.784 -6.483 1.00 0.00 C flip ATOM 605 NE2 HIS B 43 6.718 12.326 -7.478 1.00 0.00 N flip ATOM 0 H HIS B 43 11.910 10.931 -10.958 1.00 0.00 H new ATOM 0 HA HIS B 43 10.085 12.967 -9.814 1.00 0.00 H new ATOM 0 HB2 HIS B 43 8.889 10.812 -10.383 1.00 0.00 H new ATOM 0 HB3 HIS B 43 9.905 10.028 -9.189 1.00 0.00 H new ATOM 0 HD2 HIS B 43 6.980 12.412 -9.603 1.00 0.00 H new ATOM 0 HE1 HIS B 43 7.242 11.805 -5.429 1.00 0.00 H new ATOM 0 HE2 HIS B 43 5.832 12.817 -7.356 1.00 0.00 H new ATOM 606 N GLY B 44 12.571 12.950 -8.811 1.00 0.00 N ATOM 607 CA GLY B 44 13.623 13.126 -7.825 1.00 0.00 C ATOM 608 C GLY B 44 13.134 13.968 -6.645 1.00 0.00 C ATOM 609 O GLY B 44 13.626 13.821 -5.527 1.00 0.00 O ATOM 0 H GLY B 44 12.648 13.554 -9.630 1.00 0.00 H new ATOM 0 HA2 GLY B 44 13.958 12.152 -7.467 1.00 0.00 H new ATOM 0 HA3 GLY B 44 14.484 13.608 -8.288 1.00 0.00 H new ATOM 610 N PRO B 45 12.147 14.854 -6.943 1.00 0.00 N ATOM 611 CA PRO B 45 11.585 15.721 -5.919 1.00 0.00 C ATOM 612 C PRO B 45 10.653 14.939 -4.991 1.00 0.00 C ATOM 613 O PRO B 45 9.750 14.245 -5.455 1.00 0.00 O ATOM 614 CB PRO B 45 10.874 16.824 -6.684 1.00 0.00 C ATOM 615 CG PRO B 45 10.667 16.289 -8.092 1.00 0.00 C ATOM 616 CD PRO B 45 11.541 15.056 -8.255 1.00 0.00 C ATOM 0 HA PRO B 45 12.344 16.140 -5.258 1.00 0.00 H new ATOM 0 HB2 PRO B 45 9.921 17.072 -6.216 1.00 0.00 H new ATOM 0 HB3 PRO B 45 11.470 17.737 -6.697 1.00 0.00 H new ATOM 0 HG2 PRO B 45 9.619 16.038 -8.255 1.00 0.00 H new ATOM 0 HG3 PRO B 45 10.932 17.045 -8.831 1.00 0.00 H new ATOM 0 HD2 PRO B 45 10.952 14.190 -8.556 1.00 0.00 H new ATOM 0 HD3 PRO B 45 12.300 15.208 -9.022 1.00 0.00 H new ATOM 617 N PHE B 46 10.903 15.079 -3.698 1.00 0.00 N ATOM 618 CA PHE B 46 10.097 14.396 -2.701 1.00 0.00 C ATOM 619 C PHE B 46 9.020 15.324 -2.136 1.00 0.00 C ATOM 620 O PHE B 46 9.260 16.516 -1.945 1.00 0.00 O ATOM 621 CB PHE B 46 11.041 13.982 -1.570 1.00 0.00 C ATOM 622 CG PHE B 46 11.893 12.753 -1.890 1.00 0.00 C ATOM 623 CD1 PHE B 46 12.478 12.630 -3.112 1.00 0.00 C ATOM 624 CD2 PHE B 46 12.067 11.783 -0.952 1.00 0.00 C ATOM 625 CE1 PHE B 46 13.270 11.489 -3.409 1.00 0.00 C ATOM 626 CE2 PHE B 46 12.859 10.642 -1.249 1.00 0.00 C ATOM 627 CZ PHE B 46 13.444 10.520 -2.471 1.00 0.00 C ATOM 0 H PHE B 46 11.653 15.656 -3.317 1.00 0.00 H new ATOM 0 HA PHE B 46 9.599 13.537 -3.151 1.00 0.00 H new ATOM 0 HB2 PHE B 46 11.700 14.818 -1.337 1.00 0.00 H new ATOM 0 HB3 PHE B 46 10.453 13.781 -0.675 1.00 0.00 H new ATOM 0 HD1 PHE B 46 12.340 13.400 -3.856 1.00 0.00 H new ATOM 0 HD2 PHE B 46 11.603 11.881 0.018 1.00 0.00 H new ATOM 0 HE1 PHE B 46 13.734 11.391 -4.379 1.00 0.00 H new ATOM 0 HE2 PHE B 46 12.997 9.871 -0.505 1.00 0.00 H new ATOM 0 HZ PHE B 46 14.047 9.653 -2.696 1.00 0.00 H new ATOM 628 N GLN B 47 7.855 14.744 -1.886 1.00 0.00 N ATOM 629 CA GLN B 47 6.741 15.504 -1.347 1.00 0.00 C ATOM 630 C GLN B 47 5.654 14.559 -0.832 1.00 0.00 C ATOM 631 O GLN B 47 4.574 15.002 -0.442 1.00 0.00 O ATOM 632 CB GLN B 47 6.178 16.468 -2.393 1.00 0.00 C ATOM 633 CG GLN B 47 6.507 17.919 -2.035 1.00 0.00 C ATOM 634 CD GLN B 47 6.967 18.698 -3.270 1.00 0.00 C ATOM 635 OE1 GLN B 47 6.503 18.484 -4.378 1.00 0.00 O ATOM 636 NE2 GLN B 47 7.901 19.609 -3.017 1.00 0.00 N ATOM 0 H GLN B 47 7.659 13.756 -2.047 1.00 0.00 H new ATOM 0 HA GLN B 47 7.104 16.100 -0.510 1.00 0.00 H new ATOM 0 HB2 GLN B 47 6.591 16.229 -3.373 1.00 0.00 H new ATOM 0 HB3 GLN B 47 5.097 16.343 -2.464 1.00 0.00 H new ATOM 0 HG2 GLN B 47 5.628 18.399 -1.604 1.00 0.00 H new ATOM 0 HG3 GLN B 47 7.288 17.942 -1.275 1.00 0.00 H new ATOM 0 HE21 GLN B 47 8.245 19.736 -2.065 1.00 0.00 H new ATOM 0 HE22 GLN B 47 8.274 20.181 -3.775 1.00 0.00 H new ATOM 637 N SER B 48 5.976 13.274 -0.845 1.00 0.00 N ATOM 638 CA SER B 48 5.040 12.263 -0.384 1.00 0.00 C ATOM 639 C SER B 48 5.099 12.151 1.141 1.00 0.00 C ATOM 640 O SER B 48 4.075 11.955 1.793 1.00 0.00 O ATOM 641 CB SER B 48 5.334 10.906 -1.027 1.00 0.00 C ATOM 642 OG SER B 48 5.083 10.915 -2.430 1.00 0.00 O ATOM 0 H SER B 48 6.872 12.910 -1.168 1.00 0.00 H new ATOM 0 HA SER B 48 4.036 12.566 -0.681 1.00 0.00 H new ATOM 0 HB2 SER B 48 6.375 10.637 -0.847 1.00 0.00 H new ATOM 0 HB3 SER B 48 4.720 10.140 -0.554 1.00 0.00 H new ATOM 0 HG SER B 48 5.284 10.032 -2.804 1.00 0.00 H new ATOM 643 N THR B 49 6.310 12.282 1.665 1.00 0.00 N ATOM 644 CA THR B 49 6.516 12.199 3.101 1.00 0.00 C ATOM 645 C THR B 49 5.367 12.882 3.845 1.00 0.00 C ATOM 646 O THR B 49 4.896 12.379 4.864 1.00 0.00 O ATOM 647 CB THR B 49 7.888 12.798 3.417 1.00 0.00 C ATOM 648 OG1 THR B 49 8.641 12.587 2.227 1.00 0.00 O ATOM 649 CG2 THR B 49 8.643 12.003 4.483 1.00 0.00 C ATOM 0 H THR B 49 7.157 12.445 1.121 1.00 0.00 H new ATOM 0 HA THR B 49 6.512 11.164 3.443 1.00 0.00 H new ATOM 0 HB THR B 49 7.766 13.828 3.752 1.00 0.00 H new ATOM 0 HG1 THR B 49 9.545 12.947 2.344 1.00 0.00 H new ATOM 0 HG21 THR B 49 9.610 12.471 4.669 1.00 0.00 H new ATOM 0 HG22 THR B 49 8.063 11.989 5.406 1.00 0.00 H new ATOM 0 HG23 THR B 49 8.795 10.981 4.135 1.00 0.00 H new ATOM 650 N ARG B 50 4.950 14.019 3.308 1.00 0.00 N ATOM 651 CA ARG B 50 3.866 14.777 3.909 1.00 0.00 C ATOM 652 C ARG B 50 2.522 14.111 3.607 1.00 0.00 C ATOM 653 O ARG B 50 1.867 13.589 4.508 1.00 0.00 O ATOM 654 CB ARG B 50 3.843 16.215 3.387 1.00 0.00 C ATOM 655 CG ARG B 50 3.616 17.209 4.527 1.00 0.00 C ATOM 656 CD ARG B 50 4.851 18.086 4.745 1.00 0.00 C ATOM 657 NE ARG B 50 4.583 19.084 5.804 1.00 0.00 N ATOM 658 CZ ARG B 50 4.607 18.812 7.116 1.00 0.00 C ATOM 659 NH1 ARG B 50 4.886 17.571 7.538 1.00 0.00 N ATOM 660 NH2 ARG B 50 4.351 19.780 8.006 1.00 0.00 N ATOM 0 H ARG B 50 5.343 14.434 2.463 1.00 0.00 H new ATOM 0 HA ARG B 50 4.033 14.796 4.986 1.00 0.00 H new ATOM 0 HB2 ARG B 50 4.785 16.439 2.887 1.00 0.00 H new ATOM 0 HB3 ARG B 50 3.054 16.323 2.643 1.00 0.00 H new ATOM 0 HG2 ARG B 50 2.755 17.838 4.300 1.00 0.00 H new ATOM 0 HG3 ARG B 50 3.383 16.668 5.444 1.00 0.00 H new ATOM 0 HD2 ARG B 50 5.702 17.466 5.025 1.00 0.00 H new ATOM 0 HD3 ARG B 50 5.117 18.591 3.817 1.00 0.00 H new ATOM 0 HE ARG B 50 4.366 20.039 5.518 1.00 0.00 H new ATOM 0 HH11 ARG B 50 5.080 16.834 6.861 1.00 0.00 H new ATOM 0 HH12 ARG B 50 4.904 17.364 8.537 1.00 0.00 H new ATOM 0 HH21 ARG B 50 4.138 20.724 7.685 1.00 0.00 H new ATOM 0 HH22 ARG B 50 4.369 19.573 9.005 1.00 0.00 H new ATOM 661 N ILE B 51 2.150 14.151 2.336 1.00 0.00 N ATOM 662 CA ILE B 51 0.896 13.557 1.904 1.00 0.00 C ATOM 663 C ILE B 51 0.832 12.105 2.382 1.00 0.00 C ATOM 664 O ILE B 51 -0.241 11.604 2.715 1.00 0.00 O ATOM 665 CB ILE B 51 0.722 13.715 0.393 1.00 0.00 C ATOM 666 CG1 ILE B 51 -0.273 12.688 -0.155 1.00 0.00 C ATOM 667 CG2 ILE B 51 2.070 13.645 -0.325 1.00 0.00 C ATOM 668 CD1 ILE B 51 -1.672 12.921 0.418 1.00 0.00 C ATOM 0 H ILE B 51 2.695 14.586 1.591 1.00 0.00 H new ATOM 0 HA ILE B 51 0.052 14.078 2.356 1.00 0.00 H new ATOM 0 HB ILE B 51 0.305 14.703 0.199 1.00 0.00 H new ATOM 0 HG12 ILE B 51 -0.306 12.753 -1.243 1.00 0.00 H new ATOM 0 HG13 ILE B 51 0.063 11.682 0.094 1.00 0.00 H new ATOM 0 HG21 ILE B 51 1.917 13.760 -1.398 1.00 0.00 H new ATOM 0 HG22 ILE B 51 2.717 14.444 0.037 1.00 0.00 H new ATOM 0 HG23 ILE B 51 2.538 12.681 -0.127 1.00 0.00 H new ATOM 0 HD11 ILE B 51 -2.359 12.178 0.013 1.00 0.00 H new ATOM 0 HD12 ILE B 51 -1.640 12.832 1.504 1.00 0.00 H new ATOM 0 HD13 ILE B 51 -2.015 13.919 0.146 1.00 0.00 H new ATOM 669 N TYR B 52 1.995 11.470 2.401 1.00 0.00 N ATOM 670 CA TYR B 52 2.085 10.086 2.834 1.00 0.00 C ATOM 671 C TYR B 52 1.044 9.780 3.912 1.00 0.00 C ATOM 672 O TYR B 52 -0.011 9.218 3.620 1.00 0.00 O ATOM 673 CB TYR B 52 3.484 9.921 3.430 1.00 0.00 C ATOM 674 CG TYR B 52 4.475 9.212 2.504 1.00 0.00 C ATOM 675 CD1 TYR B 52 4.071 8.791 1.254 1.00 0.00 C ATOM 676 CD2 TYR B 52 5.773 8.994 2.921 1.00 0.00 C ATOM 677 CE1 TYR B 52 5.005 8.125 0.383 1.00 0.00 C ATOM 678 CE2 TYR B 52 6.705 8.326 2.050 1.00 0.00 C ATOM 679 CZ TYR B 52 6.276 7.926 0.824 1.00 0.00 C ATOM 680 OH TYR B 52 7.157 7.295 0.001 1.00 0.00 O ATOM 0 H TYR B 52 2.883 11.889 2.123 1.00 0.00 H new ATOM 0 HA TYR B 52 1.904 9.410 1.998 1.00 0.00 H new ATOM 0 HB2 TYR B 52 3.879 10.905 3.683 1.00 0.00 H new ATOM 0 HB3 TYR B 52 3.407 9.360 4.361 1.00 0.00 H new ATOM 0 HD1 TYR B 52 3.055 8.961 0.929 1.00 0.00 H new ATOM 0 HD2 TYR B 52 6.089 9.324 3.900 1.00 0.00 H new ATOM 0 HE1 TYR B 52 4.703 7.791 -0.599 1.00 0.00 H new ATOM 0 HE2 TYR B 52 7.723 8.147 2.364 1.00 0.00 H new ATOM 0 HH TYR B 52 6.882 6.362 -0.119 1.00 0.00 H new ATOM 681 N GLN B 53 1.377 10.162 5.136 1.00 0.00 N ATOM 682 CA GLN B 53 0.484 9.935 6.260 1.00 0.00 C ATOM 683 C GLN B 53 -0.968 10.179 5.842 1.00 0.00 C ATOM 684 O GLN B 53 -1.875 9.489 6.306 1.00 0.00 O ATOM 685 CB GLN B 53 0.866 10.816 7.451 1.00 0.00 C ATOM 686 CG GLN B 53 -0.267 10.873 8.478 1.00 0.00 C ATOM 687 CD GLN B 53 -1.058 12.177 8.351 1.00 0.00 C ATOM 688 OE1 GLN B 53 -2.277 12.023 7.843 1.00 0.00 O flip ATOM 689 NE2 GLN B 53 -0.590 13.251 8.692 1.00 0.00 N flip ATOM 0 H GLN B 53 2.253 10.627 5.374 1.00 0.00 H new ATOM 0 HA GLN B 53 0.583 8.895 6.573 1.00 0.00 H new ATOM 0 HB2 GLN B 53 1.769 10.426 7.921 1.00 0.00 H new ATOM 0 HB3 GLN B 53 1.097 11.823 7.103 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -0.935 10.023 8.336 1.00 0.00 H new ATOM 0 HG3 GLN B 53 0.145 10.790 9.484 1.00 0.00 H new ATOM 0 HE21 GLN B 53 0.354 13.297 9.075 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -1.143 14.102 8.594 1.00 0.00 H new ATOM 690 N ILE B 54 -1.143 11.160 4.969 1.00 0.00 N ATOM 691 CA ILE B 54 -2.468 11.503 4.483 1.00 0.00 C ATOM 692 C ILE B 54 -2.867 10.528 3.373 1.00 0.00 C ATOM 693 O ILE B 54 -4.024 10.119 3.288 1.00 0.00 O ATOM 694 CB ILE B 54 -2.521 12.972 4.061 1.00 0.00 C ATOM 695 CG1 ILE B 54 -1.678 13.842 4.995 1.00 0.00 C ATOM 696 CG2 ILE B 54 -3.967 13.464 3.967 1.00 0.00 C ATOM 697 CD1 ILE B 54 -1.865 15.327 4.677 1.00 0.00 C ATOM 0 H ILE B 54 -0.388 11.729 4.585 1.00 0.00 H new ATOM 0 HA ILE B 54 -3.205 11.399 5.279 1.00 0.00 H new ATOM 0 HB ILE B 54 -2.087 13.057 3.065 1.00 0.00 H new ATOM 0 HG12 ILE B 54 -1.960 13.650 6.030 1.00 0.00 H new ATOM 0 HG13 ILE B 54 -0.626 13.575 4.896 1.00 0.00 H new ATOM 0 HG21 ILE B 54 -3.976 14.511 3.665 1.00 0.00 H new ATOM 0 HG22 ILE B 54 -4.506 12.869 3.230 1.00 0.00 H new ATOM 0 HG23 ILE B 54 -4.450 13.362 4.939 1.00 0.00 H new ATOM 0 HD11 ILE B 54 -1.255 15.924 5.355 1.00 0.00 H new ATOM 0 HD12 ILE B 54 -1.559 15.520 3.649 1.00 0.00 H new ATOM 0 HD13 ILE B 54 -2.914 15.596 4.800 1.00 0.00 H new ATOM 698 N ALA B 55 -1.887 10.187 2.549 1.00 0.00 N ATOM 699 CA ALA B 55 -2.122 9.268 1.447 1.00 0.00 C ATOM 700 C ALA B 55 -3.626 9.038 1.293 1.00 0.00 C ATOM 701 O ALA B 55 -4.432 9.786 1.843 1.00 0.00 O ATOM 702 CB ALA B 55 -1.354 7.968 1.695 1.00 0.00 C ATOM 0 H ALA B 55 -0.929 10.530 2.622 1.00 0.00 H new ATOM 0 HA ALA B 55 -1.756 9.689 0.510 1.00 0.00 H new ATOM 0 HB1 ALA B 55 -1.530 7.278 0.869 1.00 0.00 H new ATOM 0 HB2 ALA B 55 -0.288 8.183 1.767 1.00 0.00 H new ATOM 0 HB3 ALA B 55 -1.697 7.515 2.625 1.00 0.00 H new ATOM 703 N LYS B 56 -3.959 7.998 0.543 1.00 0.00 N ATOM 704 CA LYS B 56 -5.353 7.658 0.309 1.00 0.00 C ATOM 705 C LYS B 56 -5.436 6.575 -0.768 1.00 0.00 C ATOM 706 O LYS B 56 -4.809 6.692 -1.821 1.00 0.00 O ATOM 707 CB LYS B 56 -6.162 8.915 -0.019 1.00 0.00 C ATOM 708 CG LYS B 56 -6.773 9.520 1.247 1.00 0.00 C ATOM 709 CD LYS B 56 -6.382 10.992 1.395 1.00 0.00 C ATOM 710 CE LYS B 56 -7.579 11.906 1.132 1.00 0.00 C ATOM 711 NZ LYS B 56 -7.998 12.583 2.380 1.00 0.00 N ATOM 0 H LYS B 56 -3.287 7.379 0.089 1.00 0.00 H new ATOM 0 HA LYS B 56 -5.801 7.244 1.212 1.00 0.00 H new ATOM 0 HB2 LYS B 56 -5.519 9.650 -0.503 1.00 0.00 H new ATOM 0 HB3 LYS B 56 -6.953 8.668 -0.727 1.00 0.00 H new ATOM 0 HG2 LYS B 56 -7.859 9.430 1.210 1.00 0.00 H new ATOM 0 HG3 LYS B 56 -6.437 8.961 2.120 1.00 0.00 H new ATOM 0 HD2 LYS B 56 -5.997 11.171 2.399 1.00 0.00 H new ATOM 0 HD3 LYS B 56 -5.578 11.230 0.699 1.00 0.00 H new ATOM 0 HE2 LYS B 56 -7.318 12.649 0.378 1.00 0.00 H new ATOM 0 HE3 LYS B 56 -8.408 11.323 0.731 1.00 0.00 H new ATOM 0 HZ1 LYS B 56 -8.812 13.200 2.184 1.00 0.00 H new ATOM 0 HZ2 LYS B 56 -8.266 11.870 3.088 1.00 0.00 H new ATOM 0 HZ3 LYS B 56 -7.210 13.155 2.746 1.00 0.00 H new ATOM 712 N ASN B 57 -6.214 5.545 -0.468 1.00 0.00 N ATOM 713 CA ASN B 57 -6.387 4.441 -1.397 1.00 0.00 C ATOM 714 C ASN B 57 -5.736 4.800 -2.734 1.00 0.00 C ATOM 715 O ASN B 57 -4.899 4.055 -3.241 1.00 0.00 O ATOM 716 CB ASN B 57 -7.869 4.165 -1.652 1.00 0.00 C ATOM 717 CG ASN B 57 -8.149 2.660 -1.678 1.00 0.00 C ATOM 718 OD1 ASN B 57 -9.262 2.205 -1.470 1.00 0.00 O ATOM 719 ND2 ASN B 57 -7.079 1.916 -1.945 1.00 0.00 N ATOM 0 H ASN B 57 -6.732 5.452 0.406 1.00 0.00 H new ATOM 0 HA ASN B 57 -5.925 3.556 -0.960 1.00 0.00 H new ATOM 0 HB2 ASN B 57 -8.470 4.637 -0.875 1.00 0.00 H new ATOM 0 HB3 ASN B 57 -8.168 4.611 -2.601 1.00 0.00 H new ATOM 0 HD21 ASN B 57 -7.161 0.900 -1.985 1.00 0.00 H new ATOM 0 HD22 ASN B 57 -6.176 2.361 -2.109 1.00 0.00 H new ATOM 720 N LEU B 58 -6.144 5.942 -3.268 1.00 0.00 N ATOM 721 CA LEU B 58 -5.612 6.409 -4.537 1.00 0.00 C ATOM 722 C LEU B 58 -6.096 7.836 -4.795 1.00 0.00 C ATOM 723 O LEU B 58 -5.289 8.753 -4.941 1.00 0.00 O ATOM 724 CB LEU B 58 -5.962 5.428 -5.659 1.00 0.00 C ATOM 725 CG LEU B 58 -4.958 4.301 -5.903 1.00 0.00 C ATOM 726 CD1 LEU B 58 -4.819 4.006 -7.397 1.00 0.00 C ATOM 727 CD2 LEU B 58 -3.608 4.620 -5.254 1.00 0.00 C ATOM 0 H LEU B 58 -6.838 6.558 -2.844 1.00 0.00 H new ATOM 0 HA LEU B 58 -4.523 6.443 -4.503 1.00 0.00 H new ATOM 0 HB2 LEU B 58 -6.931 4.982 -5.435 1.00 0.00 H new ATOM 0 HB3 LEU B 58 -6.077 5.992 -6.585 1.00 0.00 H new ATOM 0 HG LEU B 58 -5.338 3.396 -5.429 1.00 0.00 H new ATOM 0 HD11 LEU B 58 -4.099 3.201 -7.543 1.00 0.00 H new ATOM 0 HD12 LEU B 58 -5.786 3.706 -7.800 1.00 0.00 H new ATOM 0 HD13 LEU B 58 -4.472 4.901 -7.914 1.00 0.00 H new ATOM 0 HD21 LEU B 58 -2.912 3.803 -5.442 1.00 0.00 H new ATOM 0 HD22 LEU B 58 -3.209 5.542 -5.678 1.00 0.00 H new ATOM 0 HD23 LEU B 58 -3.741 4.743 -4.179 1.00 0.00 H new ATOM 728 N PRO B 59 -7.447 7.986 -4.844 1.00 0.00 N ATOM 729 CA PRO B 59 -8.332 6.847 -4.660 1.00 0.00 C ATOM 730 C PRO B 59 -8.350 5.961 -5.906 1.00 0.00 C ATOM 731 O PRO B 59 -8.051 6.422 -7.007 1.00 0.00 O ATOM 732 CB PRO B 59 -9.690 7.453 -4.343 1.00 0.00 C ATOM 733 CG PRO B 59 -9.624 8.895 -4.816 1.00 0.00 C ATOM 734 CD PRO B 59 -8.165 9.235 -5.075 1.00 0.00 C ATOM 0 HA PRO B 59 -8.007 6.186 -3.856 1.00 0.00 H new ATOM 0 HB2 PRO B 59 -10.488 6.911 -4.852 1.00 0.00 H new ATOM 0 HB3 PRO B 59 -9.901 7.402 -3.275 1.00 0.00 H new ATOM 0 HG2 PRO B 59 -10.213 9.026 -5.723 1.00 0.00 H new ATOM 0 HG3 PRO B 59 -10.044 9.563 -4.064 1.00 0.00 H new ATOM 0 HD2 PRO B 59 -8.017 9.594 -6.093 1.00 0.00 H new ATOM 0 HD3 PRO B 59 -7.817 10.022 -4.406 1.00 0.00 H new ATOM 735 N ASN B 60 -8.703 4.701 -5.692 1.00 0.00 N ATOM 736 CA ASN B 60 -8.763 3.744 -6.784 1.00 0.00 C ATOM 737 C ASN B 60 -8.573 2.331 -6.230 1.00 0.00 C ATOM 738 O ASN B 60 -9.547 1.637 -5.943 1.00 0.00 O ATOM 739 CB ASN B 60 -7.656 4.005 -7.806 1.00 0.00 C ATOM 740 CG ASN B 60 -8.189 4.790 -9.007 1.00 0.00 C ATOM 741 OD1 ASN B 60 -9.245 4.505 -9.547 1.00 0.00 O ATOM 742 ND2 ASN B 60 -7.402 5.792 -9.390 1.00 0.00 N ATOM 0 H ASN B 60 -8.950 4.321 -4.778 1.00 0.00 H new ATOM 0 HA ASN B 60 -9.733 3.847 -7.270 1.00 0.00 H new ATOM 0 HB2 ASN B 60 -6.846 4.561 -7.335 1.00 0.00 H new ATOM 0 HB3 ASN B 60 -7.238 3.057 -8.144 1.00 0.00 H new ATOM 0 HD21 ASN B 60 -7.670 6.377 -10.181 1.00 0.00 H new ATOM 0 HD22 ASN B 60 -6.531 5.975 -8.892 1.00 0.00 H new ATOM 743 N VAL B 61 -7.312 1.948 -6.097 1.00 0.00 N ATOM 744 CA VAL B 61 -6.981 0.629 -5.582 1.00 0.00 C ATOM 745 C VAL B 61 -8.258 -0.206 -5.474 1.00 0.00 C ATOM 746 O VAL B 61 -8.745 -0.734 -6.474 1.00 0.00 O ATOM 747 CB VAL B 61 -6.238 0.759 -4.251 1.00 0.00 C ATOM 748 CG1 VAL B 61 -6.143 -0.593 -3.542 1.00 0.00 C ATOM 749 CG2 VAL B 61 -4.851 1.370 -4.455 1.00 0.00 C ATOM 0 H VAL B 61 -6.507 2.527 -6.337 1.00 0.00 H new ATOM 0 HA VAL B 61 -6.309 0.109 -6.265 1.00 0.00 H new ATOM 0 HB VAL B 61 -6.810 1.432 -3.612 1.00 0.00 H new ATOM 0 HG11 VAL B 61 -5.610 -0.473 -2.599 1.00 0.00 H new ATOM 0 HG12 VAL B 61 -7.146 -0.973 -3.347 1.00 0.00 H new ATOM 0 HG13 VAL B 61 -5.605 -1.299 -4.175 1.00 0.00 H new ATOM 0 HG21 VAL B 61 -4.344 1.451 -3.493 1.00 0.00 H new ATOM 0 HG22 VAL B 61 -4.267 0.734 -5.120 1.00 0.00 H new ATOM 0 HG23 VAL B 61 -4.952 2.361 -4.897 1.00 0.00 H new ATOM 750 N CYS B 62 -8.765 -0.302 -4.254 1.00 0.00 N ATOM 751 CA CYS B 62 -9.975 -1.064 -4.003 1.00 0.00 C ATOM 752 C CYS B 62 -11.074 -0.093 -3.570 1.00 0.00 C ATOM 753 O CYS B 62 -12.202 -0.168 -4.056 1.00 0.00 O ATOM 754 CB CYS B 62 -9.746 -2.166 -2.966 1.00 0.00 C ATOM 755 SG CYS B 62 -9.277 -3.792 -3.663 1.00 0.00 S ATOM 0 H CYS B 62 -8.359 0.136 -3.427 1.00 0.00 H new ATOM 0 HA CYS B 62 -10.281 -1.574 -4.916 1.00 0.00 H new ATOM 0 HB2 CYS B 62 -8.964 -1.842 -2.279 1.00 0.00 H new ATOM 0 HB3 CYS B 62 -10.656 -2.287 -2.379 1.00 0.00 H new ATOM 756 N ASN B 63 -10.708 0.798 -2.661 1.00 0.00 N ATOM 757 CA ASN B 63 -11.649 1.784 -2.157 1.00 0.00 C ATOM 758 C ASN B 63 -12.491 1.156 -1.043 1.00 0.00 C ATOM 759 O ASN B 63 -13.578 1.641 -0.735 1.00 0.00 O ATOM 760 CB ASN B 63 -12.599 2.253 -3.260 1.00 0.00 C ATOM 761 CG ASN B 63 -11.840 2.510 -4.564 1.00 0.00 C ATOM 762 OD1 ASN B 63 -10.829 3.192 -4.600 1.00 0.00 O ATOM 763 ND2 ASN B 63 -12.382 1.927 -5.630 1.00 0.00 N ATOM 0 H ASN B 63 -9.772 0.858 -2.260 1.00 0.00 H new ATOM 0 HA ASN B 63 -11.079 2.636 -1.786 1.00 0.00 H new ATOM 0 HB2 ASN B 63 -13.370 1.500 -3.426 1.00 0.00 H new ATOM 0 HB3 ASN B 63 -13.107 3.165 -2.945 1.00 0.00 H new ATOM 0 HD21 ASN B 63 -11.950 2.038 -6.547 1.00 0.00 H new ATOM 0 HD22 ASN B 63 -13.230 1.369 -5.530 1.00 0.00 H new ATOM 764 N MET B 64 -11.955 0.088 -0.472 1.00 0.00 N ATOM 765 CA MET B 64 -12.644 -0.611 0.600 1.00 0.00 C ATOM 766 C MET B 64 -13.078 0.361 1.699 1.00 0.00 C ATOM 767 O MET B 64 -12.413 0.479 2.728 1.00 0.00 O ATOM 768 CB MET B 64 -11.718 -1.673 1.195 1.00 0.00 C ATOM 769 CG MET B 64 -11.439 -2.786 0.183 1.00 0.00 C ATOM 770 SD MET B 64 -12.910 -3.131 -0.766 1.00 0.00 S ATOM 771 CE MET B 64 -12.205 -4.088 -2.097 1.00 0.00 C ATOM 0 H MET B 64 -11.052 -0.310 -0.731 1.00 0.00 H new ATOM 0 HA MET B 64 -13.535 -1.083 0.186 1.00 0.00 H new ATOM 0 HB2 MET B 64 -10.779 -1.212 1.502 1.00 0.00 H new ATOM 0 HB3 MET B 64 -12.173 -2.096 2.091 1.00 0.00 H new ATOM 0 HG2 MET B 64 -10.628 -2.489 -0.482 1.00 0.00 H new ATOM 0 HG3 MET B 64 -11.111 -3.687 0.702 1.00 0.00 H new ATOM 0 HE1 MET B 64 -12.853 -4.937 -2.318 1.00 0.00 H new ATOM 0 HE2 MET B 64 -12.111 -3.463 -2.985 1.00 0.00 H new ATOM 0 HE3 MET B 64 -11.220 -4.450 -1.803 1.00 0.00 H new ATOM 772 N LYS B 65 -14.190 1.034 1.445 1.00 0.00 N ATOM 773 CA LYS B 65 -14.720 1.993 2.399 1.00 0.00 C ATOM 774 C LYS B 65 -15.299 1.243 3.600 1.00 0.00 C ATOM 775 O LYS B 65 -15.786 1.861 4.546 1.00 0.00 O ATOM 776 CB LYS B 65 -15.719 2.930 1.719 1.00 0.00 C ATOM 777 CG LYS B 65 -16.907 3.226 2.637 1.00 0.00 C ATOM 778 CD LYS B 65 -17.831 4.276 2.018 1.00 0.00 C ATOM 779 CE LYS B 65 -19.226 3.700 1.768 1.00 0.00 C ATOM 780 NZ LYS B 65 -20.191 4.784 1.481 1.00 0.00 N ATOM 0 H LYS B 65 -14.739 0.934 0.591 1.00 0.00 H new ATOM 0 HA LYS B 65 -13.924 2.635 2.776 1.00 0.00 H new ATOM 0 HB2 LYS B 65 -15.223 3.862 1.449 1.00 0.00 H new ATOM 0 HB3 LYS B 65 -16.074 2.478 0.793 1.00 0.00 H new ATOM 0 HG2 LYS B 65 -17.466 2.308 2.822 1.00 0.00 H new ATOM 0 HG3 LYS B 65 -16.546 3.579 3.603 1.00 0.00 H new ATOM 0 HD2 LYS B 65 -17.903 5.138 2.681 1.00 0.00 H new ATOM 0 HD3 LYS B 65 -17.407 4.631 1.079 1.00 0.00 H new ATOM 0 HE2 LYS B 65 -19.193 3.003 0.930 1.00 0.00 H new ATOM 0 HE3 LYS B 65 -19.554 3.135 2.640 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 -21.133 4.375 1.314 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 -20.235 5.434 2.292 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 -19.885 5.306 0.635 1.00 0.00 H new ATOM 781 N GLN B 66 -15.227 -0.077 3.524 1.00 0.00 N ATOM 782 CA GLN B 66 -15.738 -0.918 4.593 1.00 0.00 C ATOM 783 C GLN B 66 -14.582 -1.557 5.366 1.00 0.00 C ATOM 784 O GLN B 66 -14.657 -1.715 6.583 1.00 0.00 O ATOM 785 CB GLN B 66 -16.687 -1.986 4.044 1.00 0.00 C ATOM 786 CG GLN B 66 -18.128 -1.473 4.010 1.00 0.00 C ATOM 787 CD GLN B 66 -19.066 -2.424 4.756 1.00 0.00 C ATOM 788 OE1 GLN B 66 -18.985 -2.599 5.960 1.00 0.00 O ATOM 789 NE2 GLN B 66 -19.960 -3.025 3.976 1.00 0.00 N ATOM 0 H GLN B 66 -14.822 -0.586 2.738 1.00 0.00 H new ATOM 0 HA GLN B 66 -16.306 -0.292 5.281 1.00 0.00 H new ATOM 0 HB2 GLN B 66 -16.375 -2.273 3.040 1.00 0.00 H new ATOM 0 HB3 GLN B 66 -16.630 -2.881 4.663 1.00 0.00 H new ATOM 0 HG2 GLN B 66 -18.176 -0.482 4.461 1.00 0.00 H new ATOM 0 HG3 GLN B 66 -18.457 -1.369 2.976 1.00 0.00 H new ATOM 0 HE21 GLN B 66 -19.973 -2.834 2.974 1.00 0.00 H new ATOM 0 HE22 GLN B 66 -20.632 -3.677 4.380 1.00 0.00 H new ATOM 790 N ILE B 67 -13.540 -1.905 4.626 1.00 0.00 N ATOM 791 CA ILE B 67 -12.370 -2.523 5.227 1.00 0.00 C ATOM 792 C ILE B 67 -11.341 -1.441 5.557 1.00 0.00 C ATOM 793 O ILE B 67 -10.987 -1.249 6.720 1.00 0.00 O ATOM 794 CB ILE B 67 -11.827 -3.633 4.323 1.00 0.00 C ATOM 795 CG1 ILE B 67 -11.892 -4.991 5.024 1.00 0.00 C ATOM 796 CG2 ILE B 67 -10.413 -3.304 3.841 1.00 0.00 C ATOM 797 CD1 ILE B 67 -13.310 -5.564 4.980 1.00 0.00 C ATOM 0 H ILE B 67 -13.481 -1.771 3.617 1.00 0.00 H new ATOM 0 HA ILE B 67 -12.635 -3.009 6.166 1.00 0.00 H new ATOM 0 HB ILE B 67 -12.462 -3.696 3.439 1.00 0.00 H new ATOM 0 HG12 ILE B 67 -11.201 -5.685 4.545 1.00 0.00 H new ATOM 0 HG13 ILE B 67 -11.571 -4.885 6.060 1.00 0.00 H new ATOM 0 HG21 ILE B 67 -10.050 -4.108 3.201 1.00 0.00 H new ATOM 0 HG22 ILE B 67 -10.428 -2.371 3.278 1.00 0.00 H new ATOM 0 HG23 ILE B 67 -9.751 -3.198 4.700 1.00 0.00 H new ATOM 0 HD11 ILE B 67 -13.328 -6.530 5.485 1.00 0.00 H new ATOM 0 HD12 ILE B 67 -13.995 -4.880 5.481 1.00 0.00 H new ATOM 0 HD13 ILE B 67 -13.619 -5.692 3.942 1.00 0.00 H new ATOM 798 N GLY B 68 -10.887 -0.761 4.513 1.00 0.00 N ATOM 799 CA GLY B 68 -9.905 0.297 4.679 1.00 0.00 C ATOM 800 C GLY B 68 -9.608 0.982 3.343 1.00 0.00 C ATOM 801 O GLY B 68 -10.178 0.619 2.315 1.00 0.00 O ATOM 0 H GLY B 68 -11.181 -0.923 3.550 1.00 0.00 H new ATOM 0 HA2 GLY B 68 -10.274 1.032 5.395 1.00 0.00 H new ATOM 0 HA3 GLY B 68 -8.985 -0.117 5.092 1.00 0.00 H new ATOM 802 N THR B 69 -8.715 1.959 3.401 1.00 0.00 N ATOM 803 CA THR B 69 -8.334 2.698 2.210 1.00 0.00 C ATOM 804 C THR B 69 -6.980 2.211 1.690 1.00 0.00 C ATOM 805 O THR B 69 -6.795 1.018 1.449 1.00 0.00 O ATOM 806 CB THR B 69 -8.354 4.189 2.551 1.00 0.00 C ATOM 807 OG1 THR B 69 -7.884 4.823 1.365 1.00 0.00 O ATOM 808 CG2 THR B 69 -7.312 4.561 3.609 1.00 0.00 C ATOM 0 H THR B 69 -8.244 2.256 4.256 1.00 0.00 H new ATOM 0 HA THR B 69 -9.039 2.527 1.397 1.00 0.00 H new ATOM 0 HB THR B 69 -9.347 4.467 2.904 1.00 0.00 H new ATOM 0 HG1 THR B 69 -8.001 5.793 1.444 1.00 0.00 H new ATOM 0 HG21 THR B 69 -7.368 5.630 3.815 1.00 0.00 H new ATOM 0 HG22 THR B 69 -7.509 4.004 4.525 1.00 0.00 H new ATOM 0 HG23 THR B 69 -6.316 4.314 3.241 1.00 0.00 H new ATOM 809 N CYS B 70 -6.067 3.158 1.533 1.00 0.00 N ATOM 810 CA CYS B 70 -4.735 2.841 1.047 1.00 0.00 C ATOM 811 C CYS B 70 -4.355 1.450 1.560 1.00 0.00 C ATOM 812 O CYS B 70 -3.543 1.323 2.475 1.00 0.00 O ATOM 813 CB CYS B 70 -3.714 3.901 1.462 1.00 0.00 C ATOM 814 SG CYS B 70 -4.105 4.775 3.021 1.00 0.00 S ATOM 0 H CYS B 70 -6.224 4.146 1.734 1.00 0.00 H new ATOM 0 HA CYS B 70 -4.734 2.838 -0.043 1.00 0.00 H new ATOM 0 HB2 CYS B 70 -2.738 3.425 1.563 1.00 0.00 H new ATOM 0 HB3 CYS B 70 -3.629 4.636 0.662 1.00 0.00 H new