USER MOD reduce.3.24.130724 H: found=0, std=0, add=1298, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1298 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 21 ASN : amide:sc= -1.46! C(o=-3.4!,f=-13!) USER MOD Set 1.2: B 27 LYS NZ :NH3+ -150:sc= -1.96! (180deg=-5.29!) USER MOD Set 2.1: B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: B 8 THR OG1 : rot 180:sc= 0 USER MOD Set 2.3: B 35 ASN : amide:sc= -0.468 K(o=-0.47,f=-3.5!) USER MOD Set 3.1: A 40 LYS NZ :NH3+ 176:sc= 0.551 (180deg=-0.0637) USER MOD Set 3.2: A 60 SER OG : rot 180:sc= 0.601 USER MOD Set 4.1: A 21 ASN : amide:sc= 0.36! C(o=3.2!,f=-8.7!) USER MOD Set 4.2: A 27 LYS NZ :NH3+ -139:sc= 2.79 (180deg=0.5!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -126:sc= 0.0112 (180deg=-0.161) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0323) USER MOD Single : A 4 MET CE :methyl 153:sc= 0 (180deg=-0.986) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HE2:sc= 1.13 K(o=1.1,f=-6.5!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 158:sc= 1.25 USER MOD Single : A 23 LYS NZ :NH3+ 171:sc= -0.018 (180deg=-0.146) USER MOD Single : A 26 THR OG1 : rot 106:sc= 0.759 USER MOD Single : A 30 ASN :FLIP amide:sc= -0.811 F(o=-2.4!,f=-0.81) USER MOD Single : A 33 SER OG : rot 35:sc= 0.144 USER MOD Single : A 35 ASN : amide:sc= -0.88 X(o=-0.88,f=-0.85) USER MOD Single : A 47 SER OG : rot -122:sc= 0.267 USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 165:sc= -0.0189 (180deg=-0.248) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -102:sc= 1.22 (180deg=-0.671) USER MOD Single : A 58 THR OG1 : rot 36:sc= 0.0509 USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.005) USER MOD Single : A 65 GLN :FLIP amide:sc= -1.06 F(o=-2.6,f=-1.1) USER MOD Single : A 66 THR OG1 : rot 70:sc= 1.1 USER MOD Single : A 67 MET CE :methyl -164:sc= -4.11! (180deg=-4.4!) USER MOD Single : A 72 LYS NZ :NH3+ -103:sc= 1.23 (180deg=-0.251!) USER MOD Single : A 74 ASN :FLIP amide:sc= -0.269 F(o=-1.8!,f=-0.27) USER MOD Single : A 77 HIS : no HD1:sc= -0.0258 X(o=-0.026,f=-0.43) USER MOD Single : A 78 HIS :FLIP no HE2:sc= 0.102 F(o=-0.56,f=0.1) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 HIS : no HE2:sc= 1.08 K(o=1.1,f=-5.4!) USER MOD Single : A 81 HIS : no HD1:sc= -0.0832 X(o=-0.083,f=-0.096) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.022) USER MOD Single : B 1 MET N :NH3+ -173:sc= 0 (180deg=-0.05) USER MOD Single : B 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ -165:sc= -0.0453 (180deg=-0.298) USER MOD Single : B 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 17 THR OG1 : rot 180:sc= 0 USER MOD Single : B 19 SER OG : rot -131:sc= 0.33 USER MOD Single : B 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 THR OG1 : rot 180:sc= 0 USER MOD Single : B 30 ASN : amide:sc= 0.877 K(o=0.88,f=-2.8!) USER MOD Single : B 33 SER OG : rot -137:sc= -1.55 USER MOD Single : B 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 SER OG : rot -129:sc= 1.27 USER MOD Single : B 50 HIS : no HD1:sc= -0.301 X(o=-0.3,f=-0.07) USER MOD Single : B 51 THR OG1 : rot 19:sc= 1.19 USER MOD Single : B 52 LYS NZ :NH3+ -151:sc= 1.24 (180deg=1.06) USER MOD Single : B 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 58 THR OG1 : rot -24:sc= 1.21 USER MOD Single : B 60 SER OG : rot 74:sc= 0.184 USER MOD Single : B 61 ASN : amide:sc= -0.125 K(o=-0.12,f=-3.6!) USER MOD Single : B 65 GLN :FLIP amide:sc= -3.69! C(o=-5.5!,f=-3.7!) USER MOD Single : B 66 THR OG1 : rot 67:sc= 0.966 USER MOD Single : B 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 72 LYS NZ :NH3+ -157:sc= 1.22 (180deg=0.321) USER MOD Single : B 74 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : B 77 HIS : no HD1:sc= -0.18 X(o=-0.18,f=0) USER MOD Single : B 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 79 HIS : no HD1:sc= -0.246 X(o=-0.25,f=-0.25) USER MOD Single : B 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 82 HIS : no HD1:sc= -0.0106 X(o=-0.011,f=-0.011) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.278 10.089 -31.383 1.00 0.00 N ATOM 2 CA MET A 1 18.852 8.901 -30.713 1.00 0.00 C ATOM 3 C MET A 1 17.943 8.448 -29.583 1.00 0.00 C ATOM 4 O MET A 1 17.286 9.266 -28.942 1.00 0.00 O ATOM 5 CB MET A 1 20.242 9.218 -30.147 1.00 0.00 C ATOM 6 CG MET A 1 21.279 9.564 -31.202 1.00 0.00 C ATOM 7 SD MET A 1 22.865 10.029 -30.481 1.00 0.00 S ATOM 8 CE MET A 1 23.842 10.302 -31.956 1.00 0.00 C ATOM 0 H1 MET A 1 18.202 9.909 -32.404 1.00 0.00 H new ATOM 0 H2 MET A 1 17.333 10.284 -30.995 1.00 0.00 H new ATOM 0 H3 MET A 1 18.895 10.911 -31.222 1.00 0.00 H new ATOM 0 HA MET A 1 18.942 8.105 -31.452 1.00 0.00 H new ATOM 0 HB2 MET A 1 20.157 10.052 -29.450 1.00 0.00 H new ATOM 0 HB3 MET A 1 20.594 8.359 -29.575 1.00 0.00 H new ATOM 0 HG2 MET A 1 21.420 8.709 -31.863 1.00 0.00 H new ATOM 0 HG3 MET A 1 20.908 10.384 -31.817 1.00 0.00 H new ATOM 0 HE1 MET A 1 24.853 10.597 -31.674 1.00 0.00 H new ATOM 0 HE2 MET A 1 23.882 9.383 -32.541 1.00 0.00 H new ATOM 0 HE3 MET A 1 23.387 11.092 -32.553 1.00 0.00 H new ATOM 20 N LYS A 2 17.906 7.148 -29.339 1.00 0.00 N ATOM 21 CA LYS A 2 17.093 6.595 -28.269 1.00 0.00 C ATOM 22 C LYS A 2 17.918 6.488 -26.988 1.00 0.00 C ATOM 23 O LYS A 2 18.731 5.574 -26.816 1.00 0.00 O ATOM 24 CB LYS A 2 16.506 5.239 -28.684 1.00 0.00 C ATOM 25 CG LYS A 2 17.529 4.261 -29.242 1.00 0.00 C ATOM 26 CD LYS A 2 16.857 3.035 -29.840 1.00 0.00 C ATOM 27 CE LYS A 2 17.878 2.026 -30.344 1.00 0.00 C ATOM 28 NZ LYS A 2 17.231 0.909 -31.078 1.00 0.00 N ATOM 0 H LYS A 2 18.432 6.454 -29.870 1.00 0.00 H new ATOM 0 HA LYS A 2 16.255 7.264 -28.073 1.00 0.00 H new ATOM 0 HB2 LYS A 2 16.021 4.786 -27.819 1.00 0.00 H new ATOM 0 HB3 LYS A 2 15.732 5.405 -29.433 1.00 0.00 H new ATOM 0 HG2 LYS A 2 18.130 4.757 -30.005 1.00 0.00 H new ATOM 0 HG3 LYS A 2 18.211 3.954 -28.449 1.00 0.00 H new ATOM 0 HD2 LYS A 2 16.221 2.566 -29.089 1.00 0.00 H new ATOM 0 HD3 LYS A 2 16.209 3.339 -30.662 1.00 0.00 H new ATOM 0 HE2 LYS A 2 18.592 2.526 -30.999 1.00 0.00 H new ATOM 0 HE3 LYS A 2 18.443 1.628 -29.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 17.958 0.242 -31.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 16.569 0.416 -30.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 16.712 1.286 -31.897 1.00 0.00 H new ATOM 42 N LYS A 3 17.729 7.457 -26.106 1.00 0.00 N ATOM 43 CA LYS A 3 18.524 7.549 -24.893 1.00 0.00 C ATOM 44 C LYS A 3 17.649 7.848 -23.684 1.00 0.00 C ATOM 45 O LYS A 3 17.744 7.173 -22.659 1.00 0.00 O ATOM 46 CB LYS A 3 19.573 8.653 -25.046 1.00 0.00 C ATOM 47 CG LYS A 3 20.565 8.720 -23.896 1.00 0.00 C ATOM 48 CD LYS A 3 21.414 9.984 -23.955 1.00 0.00 C ATOM 49 CE LYS A 3 22.186 10.101 -25.264 1.00 0.00 C ATOM 50 NZ LYS A 3 23.133 8.974 -25.469 1.00 0.00 N ATOM 0 H LYS A 3 17.030 8.192 -26.209 1.00 0.00 H new ATOM 0 HA LYS A 3 19.015 6.589 -24.735 1.00 0.00 H new ATOM 0 HB2 LYS A 3 20.119 8.496 -25.976 1.00 0.00 H new ATOM 0 HB3 LYS A 3 19.066 9.614 -25.133 1.00 0.00 H new ATOM 0 HG2 LYS A 3 20.026 8.688 -22.949 1.00 0.00 H new ATOM 0 HG3 LYS A 3 21.214 7.845 -23.924 1.00 0.00 H new ATOM 0 HD2 LYS A 3 20.772 10.856 -23.835 1.00 0.00 H new ATOM 0 HD3 LYS A 3 22.115 9.987 -23.121 1.00 0.00 H new ATOM 0 HE2 LYS A 3 21.482 10.136 -26.095 1.00 0.00 H new ATOM 0 HE3 LYS A 3 22.737 11.041 -25.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 23.693 9.143 -26.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 23.770 8.902 -24.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 22.600 8.087 -25.572 1.00 0.00 H new ATOM 64 N MET A 4 16.791 8.850 -23.816 1.00 0.00 N ATOM 65 CA MET A 4 16.034 9.363 -22.679 1.00 0.00 C ATOM 66 C MET A 4 14.793 8.524 -22.390 1.00 0.00 C ATOM 67 O MET A 4 14.562 8.133 -21.245 1.00 0.00 O ATOM 68 CB MET A 4 15.631 10.818 -22.934 1.00 0.00 C ATOM 69 CG MET A 4 14.959 11.491 -21.745 1.00 0.00 C ATOM 70 SD MET A 4 14.496 13.199 -22.093 1.00 0.00 S ATOM 71 CE MET A 4 13.809 13.692 -20.515 1.00 0.00 C ATOM 0 H MET A 4 16.601 9.325 -24.698 1.00 0.00 H new ATOM 0 HA MET A 4 16.680 9.307 -21.803 1.00 0.00 H new ATOM 0 HB2 MET A 4 16.519 11.388 -23.207 1.00 0.00 H new ATOM 0 HB3 MET A 4 14.955 10.853 -23.788 1.00 0.00 H new ATOM 0 HG2 MET A 4 14.070 10.926 -21.466 1.00 0.00 H new ATOM 0 HG3 MET A 4 15.633 11.467 -20.889 1.00 0.00 H new ATOM 0 HE1 MET A 4 13.920 14.769 -20.391 1.00 0.00 H new ATOM 0 HE2 MET A 4 12.752 13.429 -20.480 1.00 0.00 H new ATOM 0 HE3 MET A 4 14.337 13.178 -19.712 1.00 0.00 H new ATOM 81 N ALA A 5 13.996 8.264 -23.432 1.00 0.00 N ATOM 82 CA ALA A 5 12.709 7.571 -23.290 1.00 0.00 C ATOM 83 C ALA A 5 11.741 8.417 -22.462 1.00 0.00 C ATOM 84 O ALA A 5 10.786 7.900 -21.871 1.00 0.00 O ATOM 85 CB ALA A 5 12.891 6.186 -22.671 1.00 0.00 C ATOM 0 H ALA A 5 14.222 8.526 -24.392 1.00 0.00 H new ATOM 0 HA ALA A 5 12.285 7.432 -24.284 1.00 0.00 H new ATOM 0 HB1 ALA A 5 11.921 5.698 -22.579 1.00 0.00 H new ATOM 0 HB2 ALA A 5 13.540 5.585 -23.308 1.00 0.00 H new ATOM 0 HB3 ALA A 5 13.342 6.285 -21.684 1.00 0.00 H new ATOM 91 N GLU A 6 11.995 9.728 -22.463 1.00 0.00 N ATOM 92 CA GLU A 6 11.214 10.714 -21.714 1.00 0.00 C ATOM 93 C GLU A 6 11.287 10.484 -20.206 1.00 0.00 C ATOM 94 O GLU A 6 12.035 11.164 -19.503 1.00 0.00 O ATOM 95 CB GLU A 6 9.753 10.748 -22.182 1.00 0.00 C ATOM 96 CG GLU A 6 9.530 11.573 -23.442 1.00 0.00 C ATOM 97 CD GLU A 6 10.368 11.105 -24.613 1.00 0.00 C ATOM 98 OE1 GLU A 6 9.895 10.236 -25.378 1.00 0.00 O ATOM 99 OE2 GLU A 6 11.501 11.599 -24.775 1.00 0.00 O ATOM 0 H GLU A 6 12.762 10.140 -22.994 1.00 0.00 H new ATOM 0 HA GLU A 6 11.663 11.685 -21.921 1.00 0.00 H new ATOM 0 HB2 GLU A 6 9.415 9.727 -22.363 1.00 0.00 H new ATOM 0 HB3 GLU A 6 9.134 11.151 -21.381 1.00 0.00 H new ATOM 0 HG2 GLU A 6 8.476 11.529 -23.716 1.00 0.00 H new ATOM 0 HG3 GLU A 6 9.761 12.617 -23.231 1.00 0.00 H new ATOM 106 N PHE A 7 10.529 9.522 -19.714 1.00 0.00 N ATOM 107 CA PHE A 7 10.439 9.294 -18.286 1.00 0.00 C ATOM 108 C PHE A 7 11.484 8.292 -17.819 1.00 0.00 C ATOM 109 O PHE A 7 11.387 7.093 -18.085 1.00 0.00 O ATOM 110 CB PHE A 7 9.041 8.809 -17.896 1.00 0.00 C ATOM 111 CG PHE A 7 7.939 9.768 -18.256 1.00 0.00 C ATOM 112 CD1 PHE A 7 7.616 10.818 -17.411 1.00 0.00 C ATOM 113 CD2 PHE A 7 7.226 9.620 -19.436 1.00 0.00 C ATOM 114 CE1 PHE A 7 6.607 11.702 -17.736 1.00 0.00 C ATOM 115 CE2 PHE A 7 6.214 10.503 -19.767 1.00 0.00 C ATOM 116 CZ PHE A 7 5.904 11.545 -18.914 1.00 0.00 C ATOM 0 H PHE A 7 9.968 8.887 -20.282 1.00 0.00 H new ATOM 0 HA PHE A 7 10.631 10.247 -17.793 1.00 0.00 H new ATOM 0 HB2 PHE A 7 8.850 7.853 -18.383 1.00 0.00 H new ATOM 0 HB3 PHE A 7 9.016 8.630 -16.821 1.00 0.00 H new ATOM 0 HD1 PHE A 7 8.160 10.946 -16.487 1.00 0.00 H new ATOM 0 HD2 PHE A 7 7.464 8.806 -20.105 1.00 0.00 H new ATOM 0 HE1 PHE A 7 6.367 12.517 -17.069 1.00 0.00 H new ATOM 0 HE2 PHE A 7 5.667 10.378 -20.690 1.00 0.00 H new ATOM 0 HZ PHE A 7 5.113 12.235 -19.168 1.00 0.00 H new ATOM 126 N THR A 8 12.498 8.803 -17.148 1.00 0.00 N ATOM 127 CA THR A 8 13.457 7.963 -16.462 1.00 0.00 C ATOM 128 C THR A 8 13.079 7.899 -14.983 1.00 0.00 C ATOM 129 O THR A 8 12.498 8.843 -14.452 1.00 0.00 O ATOM 130 CB THR A 8 14.904 8.489 -16.631 1.00 0.00 C ATOM 131 OG1 THR A 8 15.835 7.622 -15.971 1.00 0.00 O ATOM 132 CG2 THR A 8 15.048 9.900 -16.079 1.00 0.00 C ATOM 0 H THR A 8 12.678 9.803 -17.064 1.00 0.00 H new ATOM 0 HA THR A 8 13.429 6.965 -16.900 1.00 0.00 H new ATOM 0 HB THR A 8 15.122 8.509 -17.699 1.00 0.00 H new ATOM 0 HG1 THR A 8 16.744 7.968 -16.089 1.00 0.00 H new ATOM 0 HG21 THR A 8 16.075 10.240 -16.213 1.00 0.00 H new ATOM 0 HG22 THR A 8 14.372 10.569 -16.611 1.00 0.00 H new ATOM 0 HG23 THR A 8 14.800 9.902 -15.017 1.00 0.00 H new ATOM 140 N PHE A 9 13.367 6.786 -14.331 1.00 0.00 N ATOM 141 CA PHE A 9 13.010 6.618 -12.929 1.00 0.00 C ATOM 142 C PHE A 9 13.959 5.651 -12.236 1.00 0.00 C ATOM 143 O PHE A 9 14.283 4.588 -12.769 1.00 0.00 O ATOM 144 CB PHE A 9 11.555 6.142 -12.794 1.00 0.00 C ATOM 145 CG PHE A 9 11.211 4.932 -13.625 1.00 0.00 C ATOM 146 CD1 PHE A 9 10.769 5.079 -14.931 1.00 0.00 C ATOM 147 CD2 PHE A 9 11.319 3.657 -13.097 1.00 0.00 C ATOM 148 CE1 PHE A 9 10.445 3.975 -15.694 1.00 0.00 C ATOM 149 CE2 PHE A 9 10.993 2.550 -13.856 1.00 0.00 C ATOM 150 CZ PHE A 9 10.556 2.709 -15.156 1.00 0.00 C ATOM 0 H PHE A 9 13.845 5.986 -14.746 1.00 0.00 H new ATOM 0 HA PHE A 9 13.101 7.587 -12.439 1.00 0.00 H new ATOM 0 HB2 PHE A 9 11.356 5.915 -11.746 1.00 0.00 H new ATOM 0 HB3 PHE A 9 10.891 6.960 -13.075 1.00 0.00 H new ATOM 0 HD1 PHE A 9 10.677 6.068 -15.356 1.00 0.00 H new ATOM 0 HD2 PHE A 9 11.662 3.526 -12.081 1.00 0.00 H new ATOM 0 HE1 PHE A 9 10.105 4.102 -16.711 1.00 0.00 H new ATOM 0 HE2 PHE A 9 11.080 1.560 -13.433 1.00 0.00 H new ATOM 0 HZ PHE A 9 10.301 1.844 -15.751 1.00 0.00 H new ATOM 160 N GLU A 10 14.409 6.037 -11.056 1.00 0.00 N ATOM 161 CA GLU A 10 15.325 5.219 -10.280 1.00 0.00 C ATOM 162 C GLU A 10 14.953 5.278 -8.803 1.00 0.00 C ATOM 163 O GLU A 10 14.348 6.250 -8.348 1.00 0.00 O ATOM 164 CB GLU A 10 16.766 5.686 -10.494 1.00 0.00 C ATOM 165 CG GLU A 10 17.007 7.133 -10.105 1.00 0.00 C ATOM 166 CD GLU A 10 18.430 7.575 -10.374 1.00 0.00 C ATOM 167 OE1 GLU A 10 18.703 8.059 -11.492 1.00 0.00 O ATOM 168 OE2 GLU A 10 19.282 7.437 -9.473 1.00 0.00 O ATOM 0 H GLU A 10 14.153 6.918 -10.611 1.00 0.00 H new ATOM 0 HA GLU A 10 15.248 4.185 -10.616 1.00 0.00 H new ATOM 0 HB2 GLU A 10 17.434 5.048 -9.915 1.00 0.00 H new ATOM 0 HB3 GLU A 10 17.029 5.553 -11.544 1.00 0.00 H new ATOM 0 HG2 GLU A 10 16.320 7.774 -10.658 1.00 0.00 H new ATOM 0 HG3 GLU A 10 16.783 7.264 -9.046 1.00 0.00 H new ATOM 175 N ILE A 11 15.296 4.233 -8.072 1.00 0.00 N ATOM 176 CA ILE A 11 14.974 4.147 -6.657 1.00 0.00 C ATOM 177 C ILE A 11 16.132 4.681 -5.828 1.00 0.00 C ATOM 178 O ILE A 11 17.226 4.116 -5.845 1.00 0.00 O ATOM 179 CB ILE A 11 14.677 2.690 -6.239 1.00 0.00 C ATOM 180 CG1 ILE A 11 13.617 2.081 -7.163 1.00 0.00 C ATOM 181 CG2 ILE A 11 14.213 2.640 -4.790 1.00 0.00 C ATOM 182 CD1 ILE A 11 13.348 0.613 -6.903 1.00 0.00 C ATOM 0 H ILE A 11 15.801 3.426 -8.437 1.00 0.00 H new ATOM 0 HA ILE A 11 14.082 4.748 -6.479 1.00 0.00 H new ATOM 0 HB ILE A 11 15.593 2.106 -6.328 1.00 0.00 H new ATOM 0 HG12 ILE A 11 12.686 2.637 -7.049 1.00 0.00 H new ATOM 0 HG13 ILE A 11 13.937 2.204 -8.198 1.00 0.00 H new ATOM 0 HG21 ILE A 11 14.007 1.607 -4.509 1.00 0.00 H new ATOM 0 HG22 ILE A 11 14.993 3.043 -4.144 1.00 0.00 H new ATOM 0 HG23 ILE A 11 13.306 3.234 -4.678 1.00 0.00 H new ATOM 0 HD11 ILE A 11 12.587 0.254 -7.596 1.00 0.00 H new ATOM 0 HD12 ILE A 11 14.266 0.044 -7.046 1.00 0.00 H new ATOM 0 HD13 ILE A 11 12.997 0.483 -5.879 1.00 0.00 H new ATOM 194 N GLU A 12 15.895 5.768 -5.107 1.00 0.00 N ATOM 195 CA GLU A 12 16.958 6.413 -4.352 1.00 0.00 C ATOM 196 C GLU A 12 17.042 5.874 -2.921 1.00 0.00 C ATOM 197 O GLU A 12 18.098 5.952 -2.289 1.00 0.00 O ATOM 198 CB GLU A 12 16.805 7.945 -4.390 1.00 0.00 C ATOM 199 CG GLU A 12 15.404 8.462 -4.097 1.00 0.00 C ATOM 200 CD GLU A 12 15.081 8.482 -2.621 1.00 0.00 C ATOM 201 OE1 GLU A 12 15.700 9.277 -1.883 1.00 0.00 O ATOM 202 OE2 GLU A 12 14.214 7.708 -2.191 1.00 0.00 O ATOM 0 H GLU A 12 14.983 6.218 -5.029 1.00 0.00 H new ATOM 0 HA GLU A 12 17.907 6.169 -4.830 1.00 0.00 H new ATOM 0 HB2 GLU A 12 17.495 8.381 -3.668 1.00 0.00 H new ATOM 0 HB3 GLU A 12 17.108 8.300 -5.375 1.00 0.00 H new ATOM 0 HG2 GLU A 12 15.303 9.470 -4.500 1.00 0.00 H new ATOM 0 HG3 GLU A 12 14.676 7.837 -4.615 1.00 0.00 H new ATOM 209 N GLU A 13 15.943 5.324 -2.416 1.00 0.00 N ATOM 210 CA GLU A 13 15.963 4.655 -1.118 1.00 0.00 C ATOM 211 C GLU A 13 14.812 3.654 -0.996 1.00 0.00 C ATOM 212 O GLU A 13 13.703 3.897 -1.480 1.00 0.00 O ATOM 213 CB GLU A 13 15.898 5.676 0.024 1.00 0.00 C ATOM 214 CG GLU A 13 16.077 5.058 1.403 1.00 0.00 C ATOM 215 CD GLU A 13 16.092 6.085 2.517 1.00 0.00 C ATOM 216 OE1 GLU A 13 17.175 6.642 2.805 1.00 0.00 O ATOM 217 OE2 GLU A 13 15.029 6.340 3.113 1.00 0.00 O ATOM 0 H GLU A 13 15.034 5.327 -2.880 1.00 0.00 H new ATOM 0 HA GLU A 13 16.903 4.108 -1.043 1.00 0.00 H new ATOM 0 HB2 GLU A 13 16.669 6.431 -0.130 1.00 0.00 H new ATOM 0 HB3 GLU A 13 14.937 6.190 -0.013 1.00 0.00 H new ATOM 0 HG2 GLU A 13 15.271 4.347 1.583 1.00 0.00 H new ATOM 0 HG3 GLU A 13 17.010 4.494 1.424 1.00 0.00 H new ATOM 224 N HIS A 14 15.095 2.521 -0.361 1.00 0.00 N ATOM 225 CA HIS A 14 14.080 1.517 -0.079 1.00 0.00 C ATOM 226 C HIS A 14 13.656 1.643 1.380 1.00 0.00 C ATOM 227 O HIS A 14 14.473 1.458 2.279 1.00 0.00 O ATOM 228 CB HIS A 14 14.610 0.095 -0.347 1.00 0.00 C ATOM 229 CG HIS A 14 14.944 -0.189 -1.785 1.00 0.00 C ATOM 230 ND1 HIS A 14 14.250 -1.097 -2.555 1.00 0.00 N ATOM 231 CD2 HIS A 14 15.915 0.308 -2.588 1.00 0.00 C ATOM 232 CE1 HIS A 14 14.776 -1.145 -3.764 1.00 0.00 C ATOM 233 NE2 HIS A 14 15.787 -0.304 -3.811 1.00 0.00 N ATOM 0 H HIS A 14 16.028 2.276 -0.030 1.00 0.00 H new ATOM 0 HA HIS A 14 13.227 1.685 -0.737 1.00 0.00 H new ATOM 0 HB2 HIS A 14 15.502 -0.066 0.258 1.00 0.00 H new ATOM 0 HB3 HIS A 14 13.864 -0.626 -0.012 1.00 0.00 H new ATOM 0 HD1 HIS A 14 13.452 -1.648 -2.239 1.00 0.00 H new ATOM 0 HD2 HIS A 14 16.653 1.048 -2.317 1.00 0.00 H new ATOM 0 HE1 HIS A 14 14.435 -1.769 -4.577 1.00 0.00 H new ATOM 242 N LEU A 15 12.392 1.982 1.608 1.00 0.00 N ATOM 243 CA LEU A 15 11.888 2.209 2.961 1.00 0.00 C ATOM 244 C LEU A 15 11.910 0.922 3.779 1.00 0.00 C ATOM 245 O LEU A 15 12.548 0.853 4.830 1.00 0.00 O ATOM 246 CB LEU A 15 10.463 2.767 2.915 1.00 0.00 C ATOM 247 CG LEU A 15 10.317 4.147 2.269 1.00 0.00 C ATOM 248 CD1 LEU A 15 8.850 4.505 2.097 1.00 0.00 C ATOM 249 CD2 LEU A 15 11.016 5.200 3.110 1.00 0.00 C ATOM 0 H LEU A 15 11.695 2.106 0.873 1.00 0.00 H new ATOM 0 HA LEU A 15 12.543 2.936 3.441 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.833 2.062 2.372 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.079 2.819 3.934 1.00 0.00 H new ATOM 0 HG LEU A 15 10.784 4.115 1.285 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.767 5.489 1.636 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.367 3.764 1.460 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.362 4.518 3.072 1.00 0.00 H new ATOM 0 HD21 LEU A 15 10.904 6.176 2.638 1.00 0.00 H new ATOM 0 HD22 LEU A 15 10.572 5.225 4.105 1.00 0.00 H new ATOM 0 HD23 LEU A 15 12.075 4.956 3.192 1.00 0.00 H new ATOM 261 N LEU A 16 11.203 -0.089 3.294 1.00 0.00 N ATOM 262 CA LEU A 16 11.167 -1.387 3.953 1.00 0.00 C ATOM 263 C LEU A 16 10.676 -2.451 2.985 1.00 0.00 C ATOM 264 O LEU A 16 9.957 -2.148 2.029 1.00 0.00 O ATOM 265 CB LEU A 16 10.259 -1.367 5.194 1.00 0.00 C ATOM 266 CG LEU A 16 8.776 -1.090 4.925 1.00 0.00 C ATOM 267 CD1 LEU A 16 7.907 -1.947 5.829 1.00 0.00 C ATOM 268 CD2 LEU A 16 8.455 0.381 5.140 1.00 0.00 C ATOM 0 H LEU A 16 10.644 -0.035 2.442 1.00 0.00 H new ATOM 0 HA LEU A 16 12.182 -1.620 4.275 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.345 -2.329 5.700 1.00 0.00 H new ATOM 0 HB3 LEU A 16 10.632 -0.610 5.883 1.00 0.00 H new ATOM 0 HG LEU A 16 8.566 -1.343 3.886 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.856 -1.740 5.627 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.112 -3.000 5.639 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.128 -1.717 6.871 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.397 0.555 4.944 1.00 0.00 H new ATOM 0 HD22 LEU A 16 8.683 0.656 6.170 1.00 0.00 H new ATOM 0 HD23 LEU A 16 9.055 0.987 4.461 1.00 0.00 H new ATOM 280 N THR A 17 11.076 -3.684 3.225 1.00 0.00 N ATOM 281 CA THR A 17 10.603 -4.806 2.438 1.00 0.00 C ATOM 282 C THR A 17 9.532 -5.565 3.219 1.00 0.00 C ATOM 283 O THR A 17 9.766 -6.008 4.345 1.00 0.00 O ATOM 284 CB THR A 17 11.761 -5.753 2.070 1.00 0.00 C ATOM 285 OG1 THR A 17 12.795 -5.006 1.414 1.00 0.00 O ATOM 286 CG2 THR A 17 11.285 -6.875 1.158 1.00 0.00 C ATOM 0 H THR A 17 11.732 -3.935 3.964 1.00 0.00 H new ATOM 0 HA THR A 17 10.175 -4.422 1.512 1.00 0.00 H new ATOM 0 HB THR A 17 12.146 -6.200 2.987 1.00 0.00 H new ATOM 0 HG1 THR A 17 13.534 -5.606 1.180 1.00 0.00 H new ATOM 0 HG21 THR A 17 12.124 -7.527 0.915 1.00 0.00 H new ATOM 0 HG22 THR A 17 10.511 -7.452 1.665 1.00 0.00 H new ATOM 0 HG23 THR A 17 10.878 -6.450 0.240 1.00 0.00 H new ATOM 294 N LEU A 18 8.358 -5.698 2.621 1.00 0.00 N ATOM 295 CA LEU A 18 7.230 -6.328 3.289 1.00 0.00 C ATOM 296 C LEU A 18 7.415 -7.837 3.368 1.00 0.00 C ATOM 297 O LEU A 18 7.424 -8.412 4.458 1.00 0.00 O ATOM 298 CB LEU A 18 5.924 -6.002 2.562 1.00 0.00 C ATOM 299 CG LEU A 18 5.566 -4.515 2.496 1.00 0.00 C ATOM 300 CD1 LEU A 18 4.298 -4.309 1.685 1.00 0.00 C ATOM 301 CD2 LEU A 18 5.399 -3.940 3.895 1.00 0.00 C ATOM 0 H LEU A 18 8.162 -5.377 1.673 1.00 0.00 H new ATOM 0 HA LEU A 18 7.180 -5.932 4.303 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.987 -6.389 1.545 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.110 -6.533 3.056 1.00 0.00 H new ATOM 0 HG LEU A 18 6.383 -3.988 2.003 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.058 -3.246 1.648 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.449 -4.682 0.672 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.475 -4.851 2.152 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.145 -2.882 3.826 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.601 -4.472 4.414 1.00 0.00 H new ATOM 0 HD23 LEU A 18 6.331 -4.054 4.449 1.00 0.00 H new ATOM 313 N SER A 19 7.587 -8.476 2.216 1.00 0.00 N ATOM 314 CA SER A 19 7.648 -9.928 2.165 1.00 0.00 C ATOM 315 C SER A 19 8.143 -10.437 0.812 1.00 0.00 C ATOM 316 O SER A 19 8.464 -9.654 -0.091 1.00 0.00 O ATOM 317 CB SER A 19 6.257 -10.492 2.446 1.00 0.00 C ATOM 318 OG SER A 19 5.295 -9.866 1.612 1.00 0.00 O ATOM 0 H SER A 19 7.686 -8.014 1.312 1.00 0.00 H new ATOM 0 HA SER A 19 8.360 -10.263 2.919 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.252 -11.568 2.274 1.00 0.00 H new ATOM 0 HB3 SER A 19 5.998 -10.335 3.493 1.00 0.00 H new ATOM 0 HG SER A 19 4.504 -10.440 1.537 1.00 0.00 H new ATOM 324 N GLU A 20 8.210 -11.758 0.701 1.00 0.00 N ATOM 325 CA GLU A 20 8.527 -12.439 -0.546 1.00 0.00 C ATOM 326 C GLU A 20 7.383 -13.388 -0.885 1.00 0.00 C ATOM 327 O GLU A 20 7.111 -14.329 -0.140 1.00 0.00 O ATOM 328 CB GLU A 20 9.836 -13.220 -0.405 1.00 0.00 C ATOM 329 CG GLU A 20 10.197 -14.047 -1.631 1.00 0.00 C ATOM 330 CD GLU A 20 11.375 -14.966 -1.385 1.00 0.00 C ATOM 331 OE1 GLU A 20 11.236 -15.904 -0.570 1.00 0.00 O ATOM 332 OE2 GLU A 20 12.435 -14.768 -2.013 1.00 0.00 O ATOM 0 H GLU A 20 8.044 -12.392 1.483 1.00 0.00 H new ATOM 0 HA GLU A 20 8.651 -11.708 -1.345 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.645 -12.519 -0.201 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.762 -13.882 0.458 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.334 -14.641 -1.932 1.00 0.00 H new ATOM 0 HG3 GLU A 20 10.429 -13.379 -2.460 1.00 0.00 H new ATOM 339 N ASN A 21 6.702 -13.136 -1.991 1.00 0.00 N ATOM 340 CA ASN A 21 5.500 -13.886 -2.326 1.00 0.00 C ATOM 341 C ASN A 21 5.727 -14.873 -3.465 1.00 0.00 C ATOM 342 O ASN A 21 6.604 -14.685 -4.315 1.00 0.00 O ATOM 343 CB ASN A 21 4.352 -12.941 -2.703 1.00 0.00 C ATOM 344 CG ASN A 21 3.799 -12.148 -1.528 1.00 0.00 C ATOM 345 OD1 ASN A 21 3.337 -11.016 -1.693 1.00 0.00 O ATOM 346 ND2 ASN A 21 3.813 -12.735 -0.341 1.00 0.00 N ATOM 0 H ASN A 21 6.959 -12.420 -2.671 1.00 0.00 H new ATOM 0 HA ASN A 21 5.235 -14.452 -1.433 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.702 -12.246 -3.466 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.545 -13.524 -3.148 1.00 0.00 H new ATOM 0 HD21 ASN A 21 3.434 -12.250 0.472 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.203 -13.672 -0.240 1.00 0.00 H new ATOM 353 N GLU A 22 4.929 -15.937 -3.441 1.00 0.00 N ATOM 354 CA GLU A 22 4.801 -16.890 -4.545 1.00 0.00 C ATOM 355 C GLU A 22 6.114 -17.609 -4.882 1.00 0.00 C ATOM 356 O GLU A 22 6.405 -18.676 -4.342 1.00 0.00 O ATOM 357 CB GLU A 22 4.239 -16.190 -5.788 1.00 0.00 C ATOM 358 CG GLU A 22 2.976 -15.383 -5.516 1.00 0.00 C ATOM 359 CD GLU A 22 1.885 -16.197 -4.848 1.00 0.00 C ATOM 360 OE1 GLU A 22 1.863 -16.267 -3.601 1.00 0.00 O ATOM 361 OE2 GLU A 22 1.042 -16.770 -5.567 1.00 0.00 O ATOM 0 H GLU A 22 4.341 -16.167 -2.640 1.00 0.00 H new ATOM 0 HA GLU A 22 4.106 -17.660 -4.212 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.002 -15.528 -6.198 1.00 0.00 H new ATOM 0 HB3 GLU A 22 4.024 -16.939 -6.550 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.225 -14.531 -4.883 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.598 -14.982 -6.456 1.00 0.00 H new ATOM 368 N LYS A 23 6.906 -17.025 -5.775 1.00 0.00 N ATOM 369 CA LYS A 23 8.107 -17.686 -6.282 1.00 0.00 C ATOM 370 C LYS A 23 9.319 -16.760 -6.225 1.00 0.00 C ATOM 371 O LYS A 23 10.270 -16.917 -6.993 1.00 0.00 O ATOM 372 CB LYS A 23 7.878 -18.159 -7.724 1.00 0.00 C ATOM 373 CG LYS A 23 6.952 -19.356 -7.828 1.00 0.00 C ATOM 374 CD LYS A 23 6.637 -19.705 -9.271 1.00 0.00 C ATOM 375 CE LYS A 23 5.846 -21.001 -9.368 1.00 0.00 C ATOM 376 NZ LYS A 23 4.589 -20.959 -8.571 1.00 0.00 N ATOM 0 H LYS A 23 6.740 -16.097 -6.163 1.00 0.00 H new ATOM 0 HA LYS A 23 8.310 -18.547 -5.645 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.462 -17.336 -8.306 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.839 -18.413 -8.172 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.412 -20.215 -7.339 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.025 -19.145 -7.295 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.068 -18.895 -9.727 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.565 -19.800 -9.835 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.605 -21.199 -10.412 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.465 -21.828 -9.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.013 -21.797 -8.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.821 -20.950 -7.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.054 -20.100 -8.811 1.00 0.00 H new ATOM 390 N GLY A 24 9.292 -15.816 -5.303 1.00 0.00 N ATOM 391 CA GLY A 24 10.389 -14.876 -5.189 1.00 0.00 C ATOM 392 C GLY A 24 9.962 -13.475 -5.540 1.00 0.00 C ATOM 393 O GLY A 24 10.780 -12.559 -5.579 1.00 0.00 O ATOM 0 H GLY A 24 8.535 -15.681 -4.633 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.779 -14.893 -4.171 1.00 0.00 H new ATOM 0 HA3 GLY A 24 11.202 -15.184 -5.847 1.00 0.00 H new ATOM 397 N TRP A 25 8.671 -13.319 -5.811 1.00 0.00 N ATOM 398 CA TRP A 25 8.099 -12.010 -6.068 1.00 0.00 C ATOM 399 C TRP A 25 8.211 -11.167 -4.814 1.00 0.00 C ATOM 400 O TRP A 25 7.469 -11.368 -3.856 1.00 0.00 O ATOM 401 CB TRP A 25 6.626 -12.130 -6.466 1.00 0.00 C ATOM 402 CG TRP A 25 6.393 -12.759 -7.803 1.00 0.00 C ATOM 403 CD1 TRP A 25 6.703 -14.032 -8.186 1.00 0.00 C ATOM 404 CD2 TRP A 25 5.780 -12.138 -8.934 1.00 0.00 C ATOM 405 NE1 TRP A 25 6.326 -14.237 -9.490 1.00 0.00 N ATOM 406 CE2 TRP A 25 5.755 -13.088 -9.969 1.00 0.00 C ATOM 407 CE3 TRP A 25 5.250 -10.869 -9.169 1.00 0.00 C ATOM 408 CZ2 TRP A 25 5.221 -12.809 -11.222 1.00 0.00 C ATOM 409 CZ3 TRP A 25 4.718 -10.593 -10.415 1.00 0.00 C ATOM 410 CH2 TRP A 25 4.709 -11.559 -11.426 1.00 0.00 C ATOM 0 H TRP A 25 8.002 -14.088 -5.858 1.00 0.00 H new ATOM 0 HA TRP A 25 8.644 -11.543 -6.888 1.00 0.00 H new ATOM 0 HB2 TRP A 25 6.105 -12.714 -5.708 1.00 0.00 H new ATOM 0 HB3 TRP A 25 6.180 -11.135 -6.464 1.00 0.00 H new ATOM 0 HD1 TRP A 25 7.176 -14.770 -7.555 1.00 0.00 H new ATOM 0 HE1 TRP A 25 6.451 -15.102 -10.015 1.00 0.00 H new ATOM 0 HE3 TRP A 25 5.255 -10.117 -8.393 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 5.211 -13.553 -12.005 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 4.303 -9.615 -10.611 1.00 0.00 H new ATOM 0 HH2 TRP A 25 4.288 -11.311 -12.389 1.00 0.00 H new ATOM 421 N THR A 26 9.138 -10.236 -4.806 1.00 0.00 N ATOM 422 CA THR A 26 9.374 -9.453 -3.618 1.00 0.00 C ATOM 423 C THR A 26 8.432 -8.269 -3.570 1.00 0.00 C ATOM 424 O THR A 26 8.215 -7.589 -4.573 1.00 0.00 O ATOM 425 CB THR A 26 10.834 -8.976 -3.554 1.00 0.00 C ATOM 426 OG1 THR A 26 11.296 -8.647 -4.870 1.00 0.00 O ATOM 427 CG2 THR A 26 11.727 -10.046 -2.941 1.00 0.00 C ATOM 0 H THR A 26 9.734 -10.005 -5.601 1.00 0.00 H new ATOM 0 HA THR A 26 9.185 -10.087 -2.752 1.00 0.00 H new ATOM 0 HB THR A 26 10.880 -8.089 -2.923 1.00 0.00 H new ATOM 0 HG1 THR A 26 11.350 -7.673 -4.964 1.00 0.00 H new ATOM 0 HG21 THR A 26 12.755 -9.686 -2.906 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.386 -10.269 -1.930 1.00 0.00 H new ATOM 0 HG23 THR A 26 11.680 -10.951 -3.547 1.00 0.00 H new ATOM 435 N LYS A 27 7.880 -8.030 -2.398 1.00 0.00 N ATOM 436 CA LYS A 27 6.923 -6.964 -2.210 1.00 0.00 C ATOM 437 C LYS A 27 7.462 -5.995 -1.178 1.00 0.00 C ATOM 438 O LYS A 27 7.671 -6.363 -0.022 1.00 0.00 O ATOM 439 CB LYS A 27 5.581 -7.549 -1.776 1.00 0.00 C ATOM 440 CG LYS A 27 4.446 -6.544 -1.722 1.00 0.00 C ATOM 441 CD LYS A 27 3.099 -7.244 -1.657 1.00 0.00 C ATOM 442 CE LYS A 27 2.976 -8.116 -0.420 1.00 0.00 C ATOM 443 NZ LYS A 27 1.794 -9.014 -0.491 1.00 0.00 N ATOM 0 H LYS A 27 8.082 -8.567 -1.555 1.00 0.00 H new ATOM 0 HA LYS A 27 6.767 -6.426 -3.145 1.00 0.00 H new ATOM 0 HB2 LYS A 27 5.308 -8.350 -2.464 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.697 -8.001 -0.791 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.567 -5.900 -0.851 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.483 -5.901 -2.601 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.302 -6.500 -1.658 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.964 -7.857 -2.548 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.880 -8.714 -0.306 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.899 -7.483 0.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.329 -9.050 0.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.124 -8.651 -1.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.100 -9.970 -0.763 1.00 0.00 H new ATOM 457 N GLU A 28 7.712 -4.773 -1.599 1.00 0.00 N ATOM 458 CA GLU A 28 8.365 -3.803 -0.743 1.00 0.00 C ATOM 459 C GLU A 28 7.775 -2.417 -0.936 1.00 0.00 C ATOM 460 O GLU A 28 6.906 -2.208 -1.786 1.00 0.00 O ATOM 461 CB GLU A 28 9.861 -3.777 -1.045 1.00 0.00 C ATOM 462 CG GLU A 28 10.176 -3.374 -2.475 1.00 0.00 C ATOM 463 CD GLU A 28 11.655 -3.384 -2.767 1.00 0.00 C ATOM 464 OE1 GLU A 28 12.421 -2.799 -1.976 1.00 0.00 O ATOM 465 OE2 GLU A 28 12.057 -3.960 -3.799 1.00 0.00 O ATOM 0 H GLU A 28 7.473 -4.427 -2.528 1.00 0.00 H new ATOM 0 HA GLU A 28 8.205 -4.098 0.294 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.351 -3.083 -0.362 1.00 0.00 H new ATOM 0 HB3 GLU A 28 10.281 -4.764 -0.852 1.00 0.00 H new ATOM 0 HG2 GLU A 28 9.669 -4.054 -3.160 1.00 0.00 H new ATOM 0 HG3 GLU A 28 9.779 -2.377 -2.664 1.00 0.00 H new ATOM 472 N ILE A 29 8.253 -1.483 -0.133 1.00 0.00 N ATOM 473 CA ILE A 29 7.859 -0.092 -0.234 1.00 0.00 C ATOM 474 C ILE A 29 9.107 0.764 -0.386 1.00 0.00 C ATOM 475 O ILE A 29 9.946 0.818 0.515 1.00 0.00 O ATOM 476 CB ILE A 29 7.066 0.364 1.010 1.00 0.00 C ATOM 477 CG1 ILE A 29 5.891 -0.586 1.263 1.00 0.00 C ATOM 478 CG2 ILE A 29 6.572 1.794 0.831 1.00 0.00 C ATOM 479 CD1 ILE A 29 5.110 -0.277 2.520 1.00 0.00 C ATOM 0 H ILE A 29 8.927 -1.670 0.609 1.00 0.00 H new ATOM 0 HA ILE A 29 7.211 0.022 -1.103 1.00 0.00 H new ATOM 0 HB ILE A 29 7.726 0.337 1.877 1.00 0.00 H new ATOM 0 HG12 ILE A 29 5.215 -0.547 0.409 1.00 0.00 H new ATOM 0 HG13 ILE A 29 6.269 -1.607 1.324 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.015 2.100 1.717 1.00 0.00 H new ATOM 0 HG22 ILE A 29 7.425 2.459 0.691 1.00 0.00 H new ATOM 0 HG23 ILE A 29 5.923 1.848 -0.043 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.296 -0.994 2.628 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.770 -0.345 3.385 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.700 0.731 2.455 1.00 0.00 H new ATOM 491 N ASN A 30 9.243 1.409 -1.531 1.00 0.00 N ATOM 492 CA ASN A 30 10.430 2.196 -1.828 1.00 0.00 C ATOM 493 C ASN A 30 10.060 3.575 -2.356 1.00 0.00 C ATOM 494 O ASN A 30 8.904 3.834 -2.682 1.00 0.00 O ATOM 495 CB ASN A 30 11.328 1.462 -2.838 1.00 0.00 C ATOM 496 CG ASN A 30 10.583 0.890 -4.045 1.00 0.00 C ATOM 497 OD1 ASN A 30 9.506 1.537 -4.475 1.00 0.00 O flip ATOM 498 ND2 ASN A 30 10.993 -0.131 -4.595 1.00 0.00 N flip ATOM 0 H ASN A 30 8.544 1.404 -2.274 1.00 0.00 H new ATOM 0 HA ASN A 30 10.983 2.327 -0.898 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.095 2.151 -3.192 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.842 0.649 -2.325 1.00 0.00 H new ATOM 0 HD21 ASN A 30 11.824 -0.604 -4.239 1.00 0.00 H new ATOM 0 HD22 ASN A 30 10.502 -0.505 -5.407 1.00 0.00 H new ATOM 505 N ARG A 31 11.036 4.462 -2.429 1.00 0.00 N ATOM 506 CA ARG A 31 10.809 5.784 -2.986 1.00 0.00 C ATOM 507 C ARG A 31 11.499 5.891 -4.337 1.00 0.00 C ATOM 508 O ARG A 31 12.705 5.648 -4.452 1.00 0.00 O ATOM 509 CB ARG A 31 11.334 6.871 -2.050 1.00 0.00 C ATOM 510 CG ARG A 31 10.892 6.714 -0.604 1.00 0.00 C ATOM 511 CD ARG A 31 11.378 7.875 0.251 1.00 0.00 C ATOM 512 NE ARG A 31 12.794 8.158 0.038 1.00 0.00 N ATOM 513 CZ ARG A 31 13.632 8.555 0.991 1.00 0.00 C ATOM 514 NH1 ARG A 31 13.229 8.635 2.255 1.00 0.00 N ATOM 515 NH2 ARG A 31 14.876 8.868 0.671 1.00 0.00 N ATOM 0 H ARG A 31 11.990 4.292 -2.111 1.00 0.00 H new ATOM 0 HA ARG A 31 9.735 5.928 -3.107 1.00 0.00 H new ATOM 0 HB2 ARG A 31 12.423 6.872 -2.087 1.00 0.00 H new ATOM 0 HB3 ARG A 31 11.002 7.842 -2.417 1.00 0.00 H new ATOM 0 HG2 ARG A 31 9.805 6.656 -0.558 1.00 0.00 H new ATOM 0 HG3 ARG A 31 11.279 5.777 -0.203 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.792 8.765 0.020 1.00 0.00 H new ATOM 0 HD3 ARG A 31 11.209 7.646 1.303 1.00 0.00 H new ATOM 0 HE ARG A 31 13.166 8.044 -0.905 1.00 0.00 H new ATOM 0 HH11 ARG A 31 12.270 8.391 2.501 1.00 0.00 H new ATOM 0 HH12 ARG A 31 13.879 8.941 2.979 1.00 0.00 H new ATOM 0 HH21 ARG A 31 15.185 8.804 -0.299 1.00 0.00 H new ATOM 0 HH22 ARG A 31 15.527 9.174 1.394 1.00 0.00 H new ATOM 529 N VAL A 32 10.735 6.238 -5.357 1.00 0.00 N ATOM 530 CA VAL A 32 11.262 6.311 -6.706 1.00 0.00 C ATOM 531 C VAL A 32 11.356 7.757 -7.167 1.00 0.00 C ATOM 532 O VAL A 32 10.357 8.479 -7.194 1.00 0.00 O ATOM 533 CB VAL A 32 10.393 5.506 -7.699 1.00 0.00 C ATOM 534 CG1 VAL A 32 10.993 5.545 -9.097 1.00 0.00 C ATOM 535 CG2 VAL A 32 10.222 4.068 -7.223 1.00 0.00 C ATOM 0 H VAL A 32 9.746 6.474 -5.276 1.00 0.00 H new ATOM 0 HA VAL A 32 12.260 5.872 -6.688 1.00 0.00 H new ATOM 0 HB VAL A 32 9.407 5.969 -7.741 1.00 0.00 H new ATOM 0 HG11 VAL A 32 10.365 4.972 -9.779 1.00 0.00 H new ATOM 0 HG12 VAL A 32 11.051 6.578 -9.439 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.993 5.113 -9.076 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.607 3.519 -7.936 1.00 0.00 H new ATOM 0 HG22 VAL A 32 11.199 3.592 -7.145 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.737 4.063 -6.247 1.00 0.00 H new ATOM 545 N SER A 33 12.562 8.177 -7.503 1.00 0.00 N ATOM 546 CA SER A 33 12.782 9.501 -8.049 1.00 0.00 C ATOM 547 C SER A 33 12.491 9.501 -9.544 1.00 0.00 C ATOM 548 O SER A 33 13.225 8.901 -10.335 1.00 0.00 O ATOM 549 CB SER A 33 14.213 9.959 -7.768 1.00 0.00 C ATOM 550 OG SER A 33 15.146 8.926 -8.049 1.00 0.00 O ATOM 0 H SER A 33 13.408 7.615 -7.406 1.00 0.00 H new ATOM 0 HA SER A 33 12.103 10.204 -7.567 1.00 0.00 H new ATOM 0 HB2 SER A 33 14.443 10.835 -8.374 1.00 0.00 H new ATOM 0 HB3 SER A 33 14.303 10.260 -6.724 1.00 0.00 H new ATOM 0 HG SER A 33 14.833 8.402 -8.816 1.00 0.00 H new ATOM 556 N PHE A 34 11.400 10.147 -9.918 1.00 0.00 N ATOM 557 CA PHE A 34 10.990 10.217 -11.309 1.00 0.00 C ATOM 558 C PHE A 34 11.653 11.407 -11.983 1.00 0.00 C ATOM 559 O PHE A 34 11.534 12.532 -11.511 1.00 0.00 O ATOM 560 CB PHE A 34 9.468 10.330 -11.424 1.00 0.00 C ATOM 561 CG PHE A 34 8.729 9.169 -10.827 1.00 0.00 C ATOM 562 CD1 PHE A 34 8.591 7.984 -11.531 1.00 0.00 C ATOM 563 CD2 PHE A 34 8.169 9.264 -9.563 1.00 0.00 C ATOM 564 CE1 PHE A 34 7.911 6.912 -10.984 1.00 0.00 C ATOM 565 CE2 PHE A 34 7.487 8.196 -9.010 1.00 0.00 C ATOM 566 CZ PHE A 34 7.357 7.019 -9.723 1.00 0.00 C ATOM 0 H PHE A 34 10.778 10.634 -9.272 1.00 0.00 H new ATOM 0 HA PHE A 34 11.303 9.300 -11.808 1.00 0.00 H new ATOM 0 HB2 PHE A 34 9.143 11.247 -10.933 1.00 0.00 H new ATOM 0 HB3 PHE A 34 9.198 10.419 -12.476 1.00 0.00 H new ATOM 0 HD1 PHE A 34 9.020 7.897 -12.518 1.00 0.00 H new ATOM 0 HD2 PHE A 34 8.266 10.183 -9.004 1.00 0.00 H new ATOM 0 HE1 PHE A 34 7.813 5.992 -11.542 1.00 0.00 H new ATOM 0 HE2 PHE A 34 7.057 8.281 -8.023 1.00 0.00 H new ATOM 0 HZ PHE A 34 6.823 6.184 -9.295 1.00 0.00 H new ATOM 576 N ASN A 35 12.364 11.127 -13.074 1.00 0.00 N ATOM 577 CA ASN A 35 13.096 12.127 -13.870 1.00 0.00 C ATOM 578 C ASN A 35 13.967 13.057 -13.017 1.00 0.00 C ATOM 579 O ASN A 35 14.328 14.150 -13.450 1.00 0.00 O ATOM 580 CB ASN A 35 12.161 12.938 -14.792 1.00 0.00 C ATOM 581 CG ASN A 35 11.113 13.770 -14.071 1.00 0.00 C ATOM 582 OD1 ASN A 35 11.378 14.895 -13.645 1.00 0.00 O ATOM 583 ND2 ASN A 35 9.901 13.237 -13.969 1.00 0.00 N ATOM 0 H ASN A 35 12.453 10.180 -13.442 1.00 0.00 H new ATOM 0 HA ASN A 35 13.773 11.553 -14.502 1.00 0.00 H new ATOM 0 HB2 ASN A 35 12.768 13.601 -15.409 1.00 0.00 H new ATOM 0 HB3 ASN A 35 11.655 12.249 -15.468 1.00 0.00 H new ATOM 0 HD21 ASN A 35 9.148 13.763 -13.525 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.723 12.302 -14.335 1.00 0.00 H new ATOM 590 N GLY A 36 14.331 12.607 -11.824 1.00 0.00 N ATOM 591 CA GLY A 36 15.259 13.355 -11.005 1.00 0.00 C ATOM 592 C GLY A 36 14.688 13.760 -9.659 1.00 0.00 C ATOM 593 O GLY A 36 14.736 12.987 -8.702 1.00 0.00 O ATOM 0 H GLY A 36 13.999 11.736 -11.410 1.00 0.00 H new ATOM 0 HA2 GLY A 36 16.155 12.755 -10.845 1.00 0.00 H new ATOM 0 HA3 GLY A 36 15.567 14.251 -11.544 1.00 0.00 H new ATOM 597 N ALA A 37 14.135 14.966 -9.593 1.00 0.00 N ATOM 598 CA ALA A 37 13.748 15.576 -8.320 1.00 0.00 C ATOM 599 C ALA A 37 12.609 14.842 -7.595 1.00 0.00 C ATOM 600 O ALA A 37 12.770 14.462 -6.434 1.00 0.00 O ATOM 601 CB ALA A 37 13.403 17.049 -8.513 1.00 0.00 C ATOM 0 H ALA A 37 13.943 15.546 -10.410 1.00 0.00 H new ATOM 0 HA ALA A 37 14.619 15.488 -7.670 1.00 0.00 H new ATOM 0 HB1 ALA A 37 13.118 17.484 -7.555 1.00 0.00 H new ATOM 0 HB2 ALA A 37 14.271 17.577 -8.908 1.00 0.00 H new ATOM 0 HB3 ALA A 37 12.573 17.140 -9.214 1.00 0.00 H new ATOM 607 N PRO A 38 11.445 14.641 -8.244 1.00 0.00 N ATOM 608 CA PRO A 38 10.262 14.078 -7.584 1.00 0.00 C ATOM 609 C PRO A 38 10.436 12.614 -7.177 1.00 0.00 C ATOM 610 O PRO A 38 10.243 11.706 -7.986 1.00 0.00 O ATOM 611 CB PRO A 38 9.147 14.209 -8.635 1.00 0.00 C ATOM 612 CG PRO A 38 9.692 15.127 -9.679 1.00 0.00 C ATOM 613 CD PRO A 38 11.179 14.929 -9.657 1.00 0.00 C ATOM 0 HA PRO A 38 10.052 14.603 -6.652 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.892 13.238 -9.060 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.236 14.613 -8.193 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.280 14.892 -10.661 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.432 16.163 -9.464 1.00 0.00 H new ATOM 0 HD2 PRO A 38 11.488 14.107 -10.303 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.711 15.818 -9.996 1.00 0.00 H new ATOM 621 N ALA A 39 10.828 12.391 -5.928 1.00 0.00 N ATOM 622 CA ALA A 39 10.908 11.046 -5.379 1.00 0.00 C ATOM 623 C ALA A 39 9.650 10.743 -4.581 1.00 0.00 C ATOM 624 O ALA A 39 9.509 11.174 -3.434 1.00 0.00 O ATOM 625 CB ALA A 39 12.154 10.883 -4.514 1.00 0.00 C ATOM 0 H ALA A 39 11.096 13.128 -5.276 1.00 0.00 H new ATOM 0 HA ALA A 39 10.984 10.335 -6.201 1.00 0.00 H new ATOM 0 HB1 ALA A 39 12.190 9.869 -4.116 1.00 0.00 H new ATOM 0 HB2 ALA A 39 13.043 11.068 -5.118 1.00 0.00 H new ATOM 0 HB3 ALA A 39 12.121 11.596 -3.690 1.00 0.00 H new ATOM 631 N LYS A 40 8.720 10.036 -5.201 1.00 0.00 N ATOM 632 CA LYS A 40 7.441 9.748 -4.574 1.00 0.00 C ATOM 633 C LYS A 40 7.429 8.343 -3.992 1.00 0.00 C ATOM 634 O LYS A 40 8.375 7.574 -4.179 1.00 0.00 O ATOM 635 CB LYS A 40 6.300 9.915 -5.583 1.00 0.00 C ATOM 636 CG LYS A 40 6.128 11.345 -6.077 1.00 0.00 C ATOM 637 CD LYS A 40 5.786 12.299 -4.939 1.00 0.00 C ATOM 638 CE LYS A 40 4.390 12.050 -4.386 1.00 0.00 C ATOM 639 NZ LYS A 40 3.328 12.463 -5.340 1.00 0.00 N ATOM 0 H LYS A 40 8.827 9.650 -6.139 1.00 0.00 H new ATOM 0 HA LYS A 40 7.294 10.458 -3.760 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.484 9.264 -6.438 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.369 9.583 -5.124 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.046 11.674 -6.564 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.339 11.378 -6.828 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.518 12.186 -4.139 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.857 13.327 -5.294 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.276 10.991 -4.154 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.269 12.596 -3.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.396 12.214 -4.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.377 13.491 -5.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.467 11.974 -6.247 1.00 0.00 H new ATOM 653 N PHE A 41 6.352 8.009 -3.295 1.00 0.00 N ATOM 654 CA PHE A 41 6.255 6.727 -2.620 1.00 0.00 C ATOM 655 C PHE A 41 5.677 5.667 -3.548 1.00 0.00 C ATOM 656 O PHE A 41 4.721 5.921 -4.284 1.00 0.00 O ATOM 657 CB PHE A 41 5.404 6.859 -1.352 1.00 0.00 C ATOM 658 CG PHE A 41 5.981 7.817 -0.349 1.00 0.00 C ATOM 659 CD1 PHE A 41 7.210 7.566 0.237 1.00 0.00 C ATOM 660 CD2 PHE A 41 5.299 8.970 0.005 1.00 0.00 C ATOM 661 CE1 PHE A 41 7.747 8.444 1.158 1.00 0.00 C ATOM 662 CE2 PHE A 41 5.832 9.852 0.922 1.00 0.00 C ATOM 663 CZ PHE A 41 7.058 9.591 1.499 1.00 0.00 C ATOM 0 H PHE A 41 5.535 8.609 -3.183 1.00 0.00 H new ATOM 0 HA PHE A 41 7.258 6.411 -2.334 1.00 0.00 H new ATOM 0 HB2 PHE A 41 4.403 7.190 -1.627 1.00 0.00 H new ATOM 0 HB3 PHE A 41 5.299 5.878 -0.889 1.00 0.00 H new ATOM 0 HD1 PHE A 41 7.755 6.673 -0.029 1.00 0.00 H new ATOM 0 HD2 PHE A 41 4.339 9.181 -0.442 1.00 0.00 H new ATOM 0 HE1 PHE A 41 8.705 8.234 1.611 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.290 10.747 1.188 1.00 0.00 H new ATOM 0 HZ PHE A 41 7.477 10.282 2.215 1.00 0.00 H new ATOM 673 N ASP A 42 6.276 4.488 -3.516 1.00 0.00 N ATOM 674 CA ASP A 42 5.887 3.394 -4.395 1.00 0.00 C ATOM 675 C ASP A 42 5.873 2.070 -3.634 1.00 0.00 C ATOM 676 O ASP A 42 6.877 1.671 -3.041 1.00 0.00 O ATOM 677 CB ASP A 42 6.870 3.328 -5.575 1.00 0.00 C ATOM 678 CG ASP A 42 6.632 2.159 -6.515 1.00 0.00 C ATOM 679 OD1 ASP A 42 7.073 1.039 -6.202 1.00 0.00 O ATOM 680 OD2 ASP A 42 6.053 2.370 -7.601 1.00 0.00 O ATOM 0 H ASP A 42 7.043 4.261 -2.883 1.00 0.00 H new ATOM 0 HA ASP A 42 4.879 3.572 -4.770 1.00 0.00 H new ATOM 0 HB2 ASP A 42 6.803 4.256 -6.142 1.00 0.00 H new ATOM 0 HB3 ASP A 42 7.886 3.266 -5.185 1.00 0.00 H new ATOM 685 N ILE A 43 4.721 1.415 -3.612 1.00 0.00 N ATOM 686 CA ILE A 43 4.612 0.078 -3.043 1.00 0.00 C ATOM 687 C ILE A 43 4.534 -0.923 -4.184 1.00 0.00 C ATOM 688 O ILE A 43 3.625 -0.848 -5.007 1.00 0.00 O ATOM 689 CB ILE A 43 3.369 -0.072 -2.140 1.00 0.00 C ATOM 690 CG1 ILE A 43 3.403 0.961 -1.009 1.00 0.00 C ATOM 691 CG2 ILE A 43 3.293 -1.485 -1.573 1.00 0.00 C ATOM 692 CD1 ILE A 43 2.225 0.862 -0.065 1.00 0.00 C ATOM 0 H ILE A 43 3.847 1.788 -3.982 1.00 0.00 H new ATOM 0 HA ILE A 43 5.488 -0.103 -2.420 1.00 0.00 H new ATOM 0 HB ILE A 43 2.478 0.106 -2.742 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.325 0.836 -0.441 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.428 1.961 -1.442 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.411 -1.575 -0.938 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.226 -2.202 -2.391 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.187 -1.689 -0.984 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.315 1.623 0.710 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.300 1.017 -0.620 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.210 -0.126 0.396 1.00 0.00 H new ATOM 704 N ARG A 44 5.476 -1.853 -4.239 1.00 0.00 N ATOM 705 CA ARG A 44 5.621 -2.685 -5.424 1.00 0.00 C ATOM 706 C ARG A 44 5.946 -4.137 -5.090 1.00 0.00 C ATOM 707 O ARG A 44 6.780 -4.420 -4.229 1.00 0.00 O ATOM 708 CB ARG A 44 6.731 -2.106 -6.297 1.00 0.00 C ATOM 709 CG ARG A 44 6.853 -2.744 -7.671 1.00 0.00 C ATOM 710 CD ARG A 44 7.944 -2.066 -8.477 1.00 0.00 C ATOM 711 NE ARG A 44 7.770 -0.617 -8.510 1.00 0.00 N ATOM 712 CZ ARG A 44 8.635 0.232 -9.052 1.00 0.00 C ATOM 713 NH1 ARG A 44 9.781 -0.209 -9.560 1.00 0.00 N ATOM 714 NH2 ARG A 44 8.372 1.532 -9.047 1.00 0.00 N ATOM 0 H ARG A 44 6.141 -2.049 -3.491 1.00 0.00 H new ATOM 0 HA ARG A 44 4.665 -2.684 -5.948 1.00 0.00 H new ATOM 0 HB2 ARG A 44 6.557 -1.037 -6.421 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.681 -2.216 -5.774 1.00 0.00 H new ATOM 0 HG2 ARG A 44 7.076 -3.806 -7.567 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.902 -2.669 -8.199 1.00 0.00 H new ATOM 0 HD2 ARG A 44 8.916 -2.306 -8.047 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.940 -2.456 -9.495 1.00 0.00 H new ATOM 0 HE ARG A 44 6.926 -0.230 -8.088 1.00 0.00 H new ATOM 0 HH11 ARG A 44 10.000 -1.205 -9.535 1.00 0.00 H new ATOM 0 HH12 ARG A 44 10.441 0.448 -9.975 1.00 0.00 H new ATOM 0 HH21 ARG A 44 7.508 1.876 -8.628 1.00 0.00 H new ATOM 0 HH22 ARG A 44 9.034 2.188 -9.462 1.00 0.00 H new ATOM 728 N ALA A 45 5.270 -5.044 -5.779 1.00 0.00 N ATOM 729 CA ALA A 45 5.621 -6.455 -5.764 1.00 0.00 C ATOM 730 C ALA A 45 6.122 -6.859 -7.143 1.00 0.00 C ATOM 731 O ALA A 45 5.342 -6.956 -8.094 1.00 0.00 O ATOM 732 CB ALA A 45 4.429 -7.309 -5.362 1.00 0.00 C ATOM 0 H ALA A 45 4.464 -4.822 -6.363 1.00 0.00 H new ATOM 0 HA ALA A 45 6.408 -6.617 -5.027 1.00 0.00 H new ATOM 0 HB1 ALA A 45 4.719 -8.360 -5.359 1.00 0.00 H new ATOM 0 HB2 ALA A 45 4.095 -7.022 -4.365 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.617 -7.159 -6.074 1.00 0.00 H new ATOM 738 N TRP A 46 7.422 -7.072 -7.262 1.00 0.00 N ATOM 739 CA TRP A 46 8.028 -7.309 -8.561 1.00 0.00 C ATOM 740 C TRP A 46 8.597 -8.719 -8.682 1.00 0.00 C ATOM 741 O TRP A 46 9.059 -9.306 -7.703 1.00 0.00 O ATOM 742 CB TRP A 46 9.106 -6.255 -8.857 1.00 0.00 C ATOM 743 CG TRP A 46 10.142 -6.097 -7.779 1.00 0.00 C ATOM 744 CD1 TRP A 46 10.003 -5.426 -6.595 1.00 0.00 C ATOM 745 CD2 TRP A 46 11.485 -6.596 -7.799 1.00 0.00 C ATOM 746 NE1 TRP A 46 11.173 -5.487 -5.879 1.00 0.00 N ATOM 747 CE2 TRP A 46 12.096 -6.199 -6.595 1.00 0.00 C ATOM 748 CE3 TRP A 46 12.230 -7.341 -8.715 1.00 0.00 C ATOM 749 CZ2 TRP A 46 13.414 -6.522 -6.286 1.00 0.00 C ATOM 750 CZ3 TRP A 46 13.537 -7.661 -8.407 1.00 0.00 C ATOM 751 CH2 TRP A 46 14.117 -7.252 -7.200 1.00 0.00 C ATOM 0 H TRP A 46 8.075 -7.086 -6.479 1.00 0.00 H new ATOM 0 HA TRP A 46 7.239 -7.219 -9.308 1.00 0.00 H new ATOM 0 HB2 TRP A 46 9.607 -6.519 -9.788 1.00 0.00 H new ATOM 0 HB3 TRP A 46 8.620 -5.293 -9.019 1.00 0.00 H new ATOM 0 HD1 TRP A 46 9.104 -4.922 -6.271 1.00 0.00 H new ATOM 0 HE1 TRP A 46 11.329 -5.069 -4.962 1.00 0.00 H new ATOM 0 HE3 TRP A 46 11.791 -7.661 -9.648 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 13.864 -6.206 -5.356 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 14.122 -8.237 -9.109 1.00 0.00 H new ATOM 0 HH2 TRP A 46 15.142 -7.520 -6.988 1.00 0.00 H new ATOM 762 N SER A 47 8.535 -9.249 -9.898 1.00 0.00 N ATOM 763 CA SER A 47 9.051 -10.573 -10.213 1.00 0.00 C ATOM 764 C SER A 47 10.571 -10.621 -10.027 1.00 0.00 C ATOM 765 O SER A 47 11.274 -9.682 -10.402 1.00 0.00 O ATOM 766 CB SER A 47 8.665 -10.930 -11.652 1.00 0.00 C ATOM 767 OG SER A 47 9.208 -12.174 -12.055 1.00 0.00 O ATOM 0 H SER A 47 8.122 -8.768 -10.697 1.00 0.00 H new ATOM 0 HA SER A 47 8.614 -11.304 -9.532 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.579 -10.964 -11.738 1.00 0.00 H new ATOM 0 HB3 SER A 47 9.014 -10.147 -12.326 1.00 0.00 H new ATOM 0 HG SER A 47 9.768 -12.045 -12.849 1.00 0.00 H new ATOM 773 N PRO A 48 11.088 -11.723 -9.452 1.00 0.00 N ATOM 774 CA PRO A 48 12.507 -11.857 -9.090 1.00 0.00 C ATOM 775 C PRO A 48 13.453 -11.784 -10.288 1.00 0.00 C ATOM 776 O PRO A 48 13.786 -12.804 -10.899 1.00 0.00 O ATOM 777 CB PRO A 48 12.587 -13.241 -8.432 1.00 0.00 C ATOM 778 CG PRO A 48 11.388 -13.974 -8.926 1.00 0.00 C ATOM 779 CD PRO A 48 10.322 -12.936 -9.116 1.00 0.00 C ATOM 0 HA PRO A 48 12.823 -11.038 -8.444 1.00 0.00 H new ATOM 0 HB2 PRO A 48 13.506 -13.757 -8.709 1.00 0.00 H new ATOM 0 HB3 PRO A 48 12.581 -13.162 -7.345 1.00 0.00 H new ATOM 0 HG2 PRO A 48 11.603 -14.489 -9.862 1.00 0.00 H new ATOM 0 HG3 PRO A 48 11.071 -14.733 -8.210 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.631 -13.210 -9.914 1.00 0.00 H new ATOM 0 HD3 PRO A 48 9.728 -12.799 -8.213 1.00 0.00 H new ATOM 787 N ASP A 49 13.849 -10.559 -10.631 1.00 0.00 N ATOM 788 CA ASP A 49 14.857 -10.299 -11.662 1.00 0.00 C ATOM 789 C ASP A 49 14.473 -10.943 -12.997 1.00 0.00 C ATOM 790 O ASP A 49 15.327 -11.382 -13.767 1.00 0.00 O ATOM 791 CB ASP A 49 16.232 -10.793 -11.196 1.00 0.00 C ATOM 792 CG ASP A 49 17.371 -10.135 -11.954 1.00 0.00 C ATOM 793 OD1 ASP A 49 17.652 -8.944 -11.690 1.00 0.00 O ATOM 794 OD2 ASP A 49 17.990 -10.793 -12.814 1.00 0.00 O ATOM 0 H ASP A 49 13.478 -9.713 -10.199 1.00 0.00 H new ATOM 0 HA ASP A 49 14.906 -9.222 -11.821 1.00 0.00 H new ATOM 0 HB2 ASP A 49 16.345 -10.593 -10.130 1.00 0.00 H new ATOM 0 HB3 ASP A 49 16.290 -11.874 -11.325 1.00 0.00 H new ATOM 799 N HIS A 50 13.183 -10.981 -13.279 1.00 0.00 N ATOM 800 CA HIS A 50 12.692 -11.540 -14.528 1.00 0.00 C ATOM 801 C HIS A 50 11.412 -10.837 -14.957 1.00 0.00 C ATOM 802 O HIS A 50 10.481 -10.695 -14.167 1.00 0.00 O ATOM 803 CB HIS A 50 12.455 -13.051 -14.396 1.00 0.00 C ATOM 804 CG HIS A 50 11.959 -13.695 -15.655 1.00 0.00 C ATOM 805 ND1 HIS A 50 10.754 -14.352 -15.740 1.00 0.00 N ATOM 806 CD2 HIS A 50 12.515 -13.777 -16.888 1.00 0.00 C ATOM 807 CE1 HIS A 50 10.588 -14.809 -16.966 1.00 0.00 C ATOM 808 NE2 HIS A 50 11.642 -14.472 -17.684 1.00 0.00 N ATOM 0 H HIS A 50 12.453 -10.630 -12.658 1.00 0.00 H new ATOM 0 HA HIS A 50 13.451 -11.381 -15.294 1.00 0.00 H new ATOM 0 HB2 HIS A 50 13.386 -13.531 -14.095 1.00 0.00 H new ATOM 0 HB3 HIS A 50 11.733 -13.228 -13.599 1.00 0.00 H new ATOM 0 HD2 HIS A 50 13.469 -13.370 -17.188 1.00 0.00 H new ATOM 0 HE1 HIS A 50 9.733 -15.365 -17.322 1.00 0.00 H new ATOM 0 HE2 HIS A 50 11.784 -14.692 -18.670 1.00 0.00 H new ATOM 817 N THR A 51 11.390 -10.391 -16.204 1.00 0.00 N ATOM 818 CA THR A 51 10.237 -9.709 -16.769 1.00 0.00 C ATOM 819 C THR A 51 8.970 -10.563 -16.670 1.00 0.00 C ATOM 820 O THR A 51 8.915 -11.689 -17.170 1.00 0.00 O ATOM 821 CB THR A 51 10.494 -9.313 -18.244 1.00 0.00 C ATOM 822 OG1 THR A 51 9.302 -8.765 -18.830 1.00 0.00 O ATOM 823 CG2 THR A 51 10.975 -10.506 -19.067 1.00 0.00 C ATOM 0 H THR A 51 12.171 -10.492 -16.852 1.00 0.00 H new ATOM 0 HA THR A 51 10.083 -8.803 -16.183 1.00 0.00 H new ATOM 0 HB THR A 51 11.279 -8.557 -18.250 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.479 -8.518 -19.762 1.00 0.00 H new ATOM 0 HG21 THR A 51 11.146 -10.192 -20.097 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.905 -10.888 -18.645 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.218 -11.290 -19.047 1.00 0.00 H new ATOM 831 N LYS A 52 7.965 -10.018 -15.999 1.00 0.00 N ATOM 832 CA LYS A 52 6.652 -10.642 -15.909 1.00 0.00 C ATOM 833 C LYS A 52 5.616 -9.584 -15.559 1.00 0.00 C ATOM 834 O LYS A 52 4.916 -9.070 -16.430 1.00 0.00 O ATOM 835 CB LYS A 52 6.633 -11.752 -14.854 1.00 0.00 C ATOM 836 CG LYS A 52 6.337 -13.130 -15.422 1.00 0.00 C ATOM 837 CD LYS A 52 6.133 -14.156 -14.322 1.00 0.00 C ATOM 838 CE LYS A 52 5.931 -15.558 -14.882 1.00 0.00 C ATOM 839 NZ LYS A 52 7.120 -16.033 -15.639 1.00 0.00 N ATOM 0 H LYS A 52 8.037 -9.130 -15.501 1.00 0.00 H new ATOM 0 HA LYS A 52 6.418 -11.091 -16.874 1.00 0.00 H new ATOM 0 HB2 LYS A 52 7.598 -11.777 -14.348 1.00 0.00 H new ATOM 0 HB3 LYS A 52 5.884 -11.511 -14.100 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.445 -13.083 -16.046 1.00 0.00 H new ATOM 0 HG3 LYS A 52 7.160 -13.444 -16.065 1.00 0.00 H new ATOM 0 HD2 LYS A 52 6.997 -14.152 -13.657 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.267 -13.877 -13.721 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.722 -16.248 -14.065 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.059 -15.565 -15.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 7.052 -17.061 -15.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.157 -15.555 -16.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.983 -15.815 -15.102 1.00 0.00 H new ATOM 853 N MET A 53 5.547 -9.244 -14.279 1.00 0.00 N ATOM 854 CA MET A 53 4.653 -8.199 -13.803 1.00 0.00 C ATOM 855 C MET A 53 5.270 -7.488 -12.607 1.00 0.00 C ATOM 856 O MET A 53 6.196 -8.002 -11.979 1.00 0.00 O ATOM 857 CB MET A 53 3.285 -8.764 -13.399 1.00 0.00 C ATOM 858 CG MET A 53 2.391 -9.144 -14.567 1.00 0.00 C ATOM 859 SD MET A 53 0.748 -9.657 -14.033 1.00 0.00 S ATOM 860 CE MET A 53 -0.029 -9.993 -15.612 1.00 0.00 C ATOM 0 H MET A 53 6.105 -9.682 -13.546 1.00 0.00 H new ATOM 0 HA MET A 53 4.508 -7.496 -14.623 1.00 0.00 H new ATOM 0 HB2 MET A 53 3.439 -9.644 -12.775 1.00 0.00 H new ATOM 0 HB3 MET A 53 2.767 -8.026 -12.787 1.00 0.00 H new ATOM 0 HG2 MET A 53 2.302 -8.295 -15.244 1.00 0.00 H new ATOM 0 HG3 MET A 53 2.857 -9.953 -15.130 1.00 0.00 H new ATOM 0 HE1 MET A 53 -1.055 -10.322 -15.450 1.00 0.00 H new ATOM 0 HE2 MET A 53 -0.030 -9.086 -16.217 1.00 0.00 H new ATOM 0 HE3 MET A 53 0.525 -10.775 -16.131 1.00 0.00 H new ATOM 870 N GLY A 54 4.751 -6.311 -12.308 1.00 0.00 N ATOM 871 CA GLY A 54 5.173 -5.582 -11.133 1.00 0.00 C ATOM 872 C GLY A 54 3.989 -4.921 -10.469 1.00 0.00 C ATOM 873 O GLY A 54 3.814 -3.708 -10.566 1.00 0.00 O ATOM 0 H GLY A 54 4.037 -5.842 -12.865 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.659 -6.260 -10.432 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.910 -4.828 -11.410 1.00 0.00 H new ATOM 877 N LYS A 55 3.164 -5.732 -9.819 1.00 0.00 N ATOM 878 CA LYS A 55 1.933 -5.247 -9.211 1.00 0.00 C ATOM 879 C LYS A 55 2.239 -4.321 -8.045 1.00 0.00 C ATOM 880 O LYS A 55 2.847 -4.729 -7.056 1.00 0.00 O ATOM 881 CB LYS A 55 1.054 -6.411 -8.740 1.00 0.00 C ATOM 882 CG LYS A 55 0.508 -7.267 -9.871 1.00 0.00 C ATOM 883 CD LYS A 55 -0.506 -8.273 -9.351 1.00 0.00 C ATOM 884 CE LYS A 55 -1.156 -9.062 -10.478 1.00 0.00 C ATOM 885 NZ LYS A 55 -0.189 -9.942 -11.187 1.00 0.00 N ATOM 0 H LYS A 55 3.326 -6.732 -9.699 1.00 0.00 H new ATOM 0 HA LYS A 55 1.386 -4.688 -9.970 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.634 -7.042 -8.067 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.219 -6.013 -8.163 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.041 -6.629 -10.622 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.327 -7.792 -10.363 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.014 -8.961 -8.664 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.276 -7.751 -8.783 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.965 -9.669 -10.073 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.603 -8.370 -11.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.086 -9.501 -12.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.656 -10.077 -10.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.632 -10.864 -11.374 1.00 0.00 H new ATOM 899 N GLY A 56 1.834 -3.073 -8.182 1.00 0.00 N ATOM 900 CA GLY A 56 2.065 -2.100 -7.145 1.00 0.00 C ATOM 901 C GLY A 56 1.180 -0.891 -7.316 1.00 0.00 C ATOM 902 O GLY A 56 0.329 -0.866 -8.207 1.00 0.00 O ATOM 0 H GLY A 56 1.345 -2.714 -9.002 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.880 -2.553 -6.171 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.111 -1.792 -7.160 1.00 0.00 H new ATOM 906 N ILE A 57 1.379 0.107 -6.475 1.00 0.00 N ATOM 907 CA ILE A 57 0.561 1.306 -6.522 1.00 0.00 C ATOM 908 C ILE A 57 1.363 2.525 -6.063 1.00 0.00 C ATOM 909 O ILE A 57 2.161 2.444 -5.123 1.00 0.00 O ATOM 910 CB ILE A 57 -0.725 1.140 -5.670 1.00 0.00 C ATOM 911 CG1 ILE A 57 -1.686 2.307 -5.906 1.00 0.00 C ATOM 912 CG2 ILE A 57 -0.383 1.017 -4.191 1.00 0.00 C ATOM 913 CD1 ILE A 57 -3.064 2.075 -5.329 1.00 0.00 C ATOM 0 H ILE A 57 2.099 0.112 -5.752 1.00 0.00 H new ATOM 0 HA ILE A 57 0.257 1.465 -7.557 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.221 0.221 -5.982 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.263 3.211 -5.467 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.774 2.485 -6.978 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.300 0.902 -3.614 1.00 0.00 H new ATOM 0 HG22 ILE A 57 0.255 0.147 -4.036 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.142 1.914 -3.863 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.694 2.941 -5.532 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.506 1.190 -5.786 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.987 1.927 -4.252 1.00 0.00 H new ATOM 925 N THR A 58 1.171 3.639 -6.753 1.00 0.00 N ATOM 926 CA THR A 58 1.885 4.870 -6.452 1.00 0.00 C ATOM 927 C THR A 58 1.173 5.667 -5.360 1.00 0.00 C ATOM 928 O THR A 58 -0.034 5.906 -5.441 1.00 0.00 O ATOM 929 CB THR A 58 2.025 5.734 -7.722 1.00 0.00 C ATOM 930 OG1 THR A 58 0.761 5.807 -8.404 1.00 0.00 O ATOM 931 CG2 THR A 58 3.081 5.164 -8.658 1.00 0.00 C ATOM 0 H THR A 58 0.519 3.715 -7.534 1.00 0.00 H new ATOM 0 HA THR A 58 2.877 4.600 -6.090 1.00 0.00 H new ATOM 0 HB THR A 58 2.337 6.734 -7.421 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.035 5.831 -7.746 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.159 5.793 -9.545 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.043 5.137 -8.147 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.798 4.154 -8.953 1.00 0.00 H new ATOM 939 N LEU A 59 1.922 6.073 -4.341 1.00 0.00 N ATOM 940 CA LEU A 59 1.353 6.826 -3.229 1.00 0.00 C ATOM 941 C LEU A 59 2.014 8.191 -3.089 1.00 0.00 C ATOM 942 O LEU A 59 3.047 8.467 -3.705 1.00 0.00 O ATOM 943 CB LEU A 59 1.493 6.050 -1.916 1.00 0.00 C ATOM 944 CG LEU A 59 0.746 4.716 -1.856 1.00 0.00 C ATOM 945 CD1 LEU A 59 0.934 4.068 -0.496 1.00 0.00 C ATOM 946 CD2 LEU A 59 -0.734 4.911 -2.148 1.00 0.00 C ATOM 0 H LEU A 59 2.923 5.894 -4.262 1.00 0.00 H new ATOM 0 HA LEU A 59 0.295 6.972 -3.445 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.552 5.862 -1.737 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.139 6.682 -1.101 1.00 0.00 H new ATOM 0 HG LEU A 59 1.161 4.058 -2.619 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.397 3.120 -0.467 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.995 3.890 -0.321 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.545 4.729 0.279 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.244 3.949 -2.100 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.164 5.588 -1.410 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.855 5.336 -3.144 1.00 0.00 H new ATOM 958 N SER A 60 1.408 9.040 -2.273 1.00 0.00 N ATOM 959 CA SER A 60 1.927 10.372 -2.019 1.00 0.00 C ATOM 960 C SER A 60 2.064 10.607 -0.515 1.00 0.00 C ATOM 961 O SER A 60 1.715 9.735 0.283 1.00 0.00 O ATOM 962 CB SER A 60 1.001 11.421 -2.634 1.00 0.00 C ATOM 963 OG SER A 60 0.939 11.284 -4.048 1.00 0.00 O ATOM 0 H SER A 60 0.547 8.825 -1.771 1.00 0.00 H new ATOM 0 HA SER A 60 2.912 10.459 -2.478 1.00 0.00 H new ATOM 0 HB2 SER A 60 0.001 11.320 -2.212 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.356 12.419 -2.378 1.00 0.00 H new ATOM 0 HG SER A 60 0.339 11.965 -4.417 1.00 0.00 H new ATOM 969 N ASN A 61 2.563 11.780 -0.134 1.00 0.00 N ATOM 970 CA ASN A 61 2.785 12.114 1.275 1.00 0.00 C ATOM 971 C ASN A 61 1.474 12.142 2.052 1.00 0.00 C ATOM 972 O ASN A 61 1.396 11.644 3.177 1.00 0.00 O ATOM 973 CB ASN A 61 3.492 13.467 1.393 1.00 0.00 C ATOM 974 CG ASN A 61 4.909 13.432 0.854 1.00 0.00 C ATOM 975 OD1 ASN A 61 5.132 13.591 -0.348 1.00 0.00 O ATOM 976 ND2 ASN A 61 5.879 13.241 1.735 1.00 0.00 N ATOM 0 H ASN A 61 2.824 12.521 -0.784 1.00 0.00 H new ATOM 0 HA ASN A 61 3.418 11.338 1.706 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.920 14.221 0.852 1.00 0.00 H new ATOM 0 HB3 ASN A 61 3.512 13.772 2.439 1.00 0.00 H new ATOM 0 HD21 ASN A 61 6.851 13.222 1.427 1.00 0.00 H new ATOM 0 HD22 ASN A 61 5.654 13.113 2.722 1.00 0.00 H new ATOM 983 N GLU A 62 0.449 12.721 1.440 1.00 0.00 N ATOM 984 CA GLU A 62 -0.876 12.812 2.050 1.00 0.00 C ATOM 985 C GLU A 62 -1.409 11.418 2.362 1.00 0.00 C ATOM 986 O GLU A 62 -1.850 11.131 3.479 1.00 0.00 O ATOM 987 CB GLU A 62 -1.847 13.524 1.106 1.00 0.00 C ATOM 988 CG GLU A 62 -1.254 14.740 0.407 1.00 0.00 C ATOM 989 CD GLU A 62 -0.790 15.812 1.368 1.00 0.00 C ATOM 990 OE1 GLU A 62 0.375 15.752 1.813 1.00 0.00 O ATOM 991 OE2 GLU A 62 -1.576 16.734 1.661 1.00 0.00 O ATOM 0 H GLU A 62 0.509 13.139 0.512 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.789 13.382 2.975 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.189 12.815 0.352 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.725 13.836 1.672 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.412 14.423 -0.208 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.999 15.163 -0.267 1.00 0.00 H new ATOM 998 N GLU A 63 -1.342 10.559 1.356 1.00 0.00 N ATOM 999 CA GLU A 63 -1.818 9.188 1.459 1.00 0.00 C ATOM 1000 C GLU A 63 -1.041 8.446 2.537 1.00 0.00 C ATOM 1001 O GLU A 63 -1.616 7.745 3.370 1.00 0.00 O ATOM 1002 CB GLU A 63 -1.637 8.475 0.115 1.00 0.00 C ATOM 1003 CG GLU A 63 -1.769 9.396 -1.093 1.00 0.00 C ATOM 1004 CD GLU A 63 -3.163 9.957 -1.267 1.00 0.00 C ATOM 1005 OE1 GLU A 63 -3.544 10.871 -0.512 1.00 0.00 O ATOM 1006 OE2 GLU A 63 -3.875 9.483 -2.169 1.00 0.00 O ATOM 0 H GLU A 63 -0.955 10.794 0.442 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.875 9.200 1.724 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.655 8.003 0.094 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.376 7.678 0.035 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.063 10.220 -0.992 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.491 8.847 -1.992 1.00 0.00 H new ATOM 1013 N PHE A 64 0.275 8.628 2.512 1.00 0.00 N ATOM 1014 CA PHE A 64 1.168 7.993 3.465 1.00 0.00 C ATOM 1015 C PHE A 64 0.811 8.384 4.891 1.00 0.00 C ATOM 1016 O PHE A 64 0.658 7.523 5.755 1.00 0.00 O ATOM 1017 CB PHE A 64 2.618 8.370 3.158 1.00 0.00 C ATOM 1018 CG PHE A 64 3.474 7.203 2.752 1.00 0.00 C ATOM 1019 CD1 PHE A 64 3.099 6.380 1.704 1.00 0.00 C ATOM 1020 CD2 PHE A 64 4.661 6.937 3.415 1.00 0.00 C ATOM 1021 CE1 PHE A 64 3.891 5.311 1.327 1.00 0.00 C ATOM 1022 CE2 PHE A 64 5.455 5.873 3.043 1.00 0.00 C ATOM 1023 CZ PHE A 64 5.071 5.058 1.998 1.00 0.00 C ATOM 0 H PHE A 64 0.749 9.220 1.830 1.00 0.00 H new ATOM 0 HA PHE A 64 1.055 6.913 3.373 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.630 9.112 2.360 1.00 0.00 H new ATOM 0 HB3 PHE A 64 3.056 8.841 4.038 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.178 6.575 1.175 1.00 0.00 H new ATOM 0 HD2 PHE A 64 4.968 7.571 4.234 1.00 0.00 H new ATOM 0 HE1 PHE A 64 3.587 4.675 0.509 1.00 0.00 H new ATOM 0 HE2 PHE A 64 6.377 5.677 3.570 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.692 4.224 1.706 1.00 0.00 H new ATOM 1033 N GLN A 65 0.659 9.683 5.125 1.00 0.00 N ATOM 1034 CA GLN A 65 0.297 10.188 6.442 1.00 0.00 C ATOM 1035 C GLN A 65 -1.030 9.607 6.912 1.00 0.00 C ATOM 1036 O GLN A 65 -1.159 9.215 8.069 1.00 0.00 O ATOM 1037 CB GLN A 65 0.231 11.716 6.441 1.00 0.00 C ATOM 1038 CG GLN A 65 1.540 12.377 6.841 1.00 0.00 C ATOM 1039 CD GLN A 65 1.890 12.117 8.295 1.00 0.00 C ATOM 1040 OE1 GLN A 65 2.596 11.029 8.552 1.00 0.00 O flip ATOM 1041 NE2 GLN A 65 1.522 12.885 9.183 1.00 0.00 N flip ATOM 0 H GLN A 65 0.782 10.406 4.416 1.00 0.00 H new ATOM 0 HA GLN A 65 1.074 9.872 7.138 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -0.052 12.059 5.446 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.554 12.039 7.125 1.00 0.00 H new ATOM 0 HG2 GLN A 65 2.343 12.006 6.203 1.00 0.00 H new ATOM 0 HG3 GLN A 65 1.469 13.452 6.672 1.00 0.00 H new ATOM 0 HE21 GLN A 65 0.978 13.715 8.946 1.00 0.00 H new ATOM 0 HE22 GLN A 65 1.760 12.692 10.156 1.00 0.00 H new ATOM 1050 N THR A 66 -1.999 9.539 6.002 1.00 0.00 N ATOM 1051 CA THR A 66 -3.318 9.001 6.320 1.00 0.00 C ATOM 1052 C THR A 66 -3.204 7.565 6.841 1.00 0.00 C ATOM 1053 O THR A 66 -3.793 7.216 7.865 1.00 0.00 O ATOM 1054 CB THR A 66 -4.248 9.037 5.085 1.00 0.00 C ATOM 1055 OG1 THR A 66 -4.314 10.372 4.555 1.00 0.00 O ATOM 1056 CG2 THR A 66 -5.650 8.561 5.441 1.00 0.00 C ATOM 0 H THR A 66 -1.894 9.851 5.036 1.00 0.00 H new ATOM 0 HA THR A 66 -3.752 9.629 7.098 1.00 0.00 H new ATOM 0 HB THR A 66 -3.834 8.365 4.333 1.00 0.00 H new ATOM 0 HG1 THR A 66 -3.456 10.603 4.142 1.00 0.00 H new ATOM 0 HG21 THR A 66 -6.283 8.597 4.554 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.603 7.537 5.812 1.00 0.00 H new ATOM 0 HG23 THR A 66 -6.069 9.208 6.212 1.00 0.00 H new ATOM 1064 N MET A 67 -2.426 6.740 6.142 1.00 0.00 N ATOM 1065 CA MET A 67 -2.202 5.359 6.560 1.00 0.00 C ATOM 1066 C MET A 67 -1.599 5.312 7.956 1.00 0.00 C ATOM 1067 O MET A 67 -1.913 4.430 8.752 1.00 0.00 O ATOM 1068 CB MET A 67 -1.254 4.629 5.606 1.00 0.00 C ATOM 1069 CG MET A 67 -1.698 4.613 4.156 1.00 0.00 C ATOM 1070 SD MET A 67 -0.640 3.568 3.142 1.00 0.00 S ATOM 1071 CE MET A 67 0.976 4.200 3.582 1.00 0.00 C ATOM 0 H MET A 67 -1.941 7.005 5.285 1.00 0.00 H new ATOM 0 HA MET A 67 -3.174 4.866 6.551 1.00 0.00 H new ATOM 0 HB2 MET A 67 -0.271 5.096 5.665 1.00 0.00 H new ATOM 0 HB3 MET A 67 -1.139 3.600 5.947 1.00 0.00 H new ATOM 0 HG2 MET A 67 -2.726 4.256 4.095 1.00 0.00 H new ATOM 0 HG3 MET A 67 -1.689 5.629 3.762 1.00 0.00 H new ATOM 0 HE1 MET A 67 1.709 3.867 2.848 1.00 0.00 H new ATOM 0 HE2 MET A 67 0.948 5.290 3.598 1.00 0.00 H new ATOM 0 HE3 MET A 67 1.256 3.829 4.568 1.00 0.00 H new ATOM 1081 N VAL A 68 -0.724 6.265 8.247 1.00 0.00 N ATOM 1082 CA VAL A 68 -0.020 6.286 9.515 1.00 0.00 C ATOM 1083 C VAL A 68 -0.985 6.419 10.687 1.00 0.00 C ATOM 1084 O VAL A 68 -1.008 5.557 11.560 1.00 0.00 O ATOM 1085 CB VAL A 68 1.031 7.413 9.569 1.00 0.00 C ATOM 1086 CG1 VAL A 68 1.774 7.403 10.900 1.00 0.00 C ATOM 1087 CG2 VAL A 68 2.005 7.263 8.413 1.00 0.00 C ATOM 0 H VAL A 68 -0.487 7.033 7.619 1.00 0.00 H new ATOM 0 HA VAL A 68 0.499 5.331 9.598 1.00 0.00 H new ATOM 0 HB VAL A 68 0.519 8.371 9.481 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.509 8.207 10.912 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.064 7.548 11.714 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.281 6.446 11.027 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.746 8.062 8.455 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.507 6.298 8.483 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.462 7.322 7.470 1.00 0.00 H new ATOM 1097 N ASP A 69 -1.805 7.465 10.688 1.00 0.00 N ATOM 1098 CA ASP A 69 -2.731 7.693 11.799 1.00 0.00 C ATOM 1099 C ASP A 69 -3.863 6.668 11.790 1.00 0.00 C ATOM 1100 O ASP A 69 -4.216 6.105 12.832 1.00 0.00 O ATOM 1101 CB ASP A 69 -3.302 9.122 11.782 1.00 0.00 C ATOM 1102 CG ASP A 69 -4.044 9.472 10.506 1.00 0.00 C ATOM 1103 OD1 ASP A 69 -5.266 9.217 10.425 1.00 0.00 O ATOM 1104 OD2 ASP A 69 -3.407 10.025 9.588 1.00 0.00 O ATOM 0 H ASP A 69 -1.850 8.161 9.944 1.00 0.00 H new ATOM 0 HA ASP A 69 -2.161 7.572 12.720 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -3.978 9.243 12.629 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -2.486 9.831 11.922 1.00 0.00 H new ATOM 1109 N ALA A 70 -4.405 6.401 10.616 1.00 0.00 N ATOM 1110 CA ALA A 70 -5.533 5.492 10.491 1.00 0.00 C ATOM 1111 C ALA A 70 -5.165 4.074 10.932 1.00 0.00 C ATOM 1112 O ALA A 70 -5.864 3.476 11.742 1.00 0.00 O ATOM 1113 CB ALA A 70 -6.058 5.502 9.070 1.00 0.00 C ATOM 0 H ALA A 70 -4.083 6.800 9.734 1.00 0.00 H new ATOM 0 HA ALA A 70 -6.323 5.840 11.156 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.902 4.817 8.989 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.381 6.510 8.809 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.268 5.186 8.388 1.00 0.00 H new ATOM 1119 N PHE A 71 -4.056 3.547 10.426 1.00 0.00 N ATOM 1120 CA PHE A 71 -3.617 2.206 10.805 1.00 0.00 C ATOM 1121 C PHE A 71 -3.023 2.201 12.211 1.00 0.00 C ATOM 1122 O PHE A 71 -2.872 1.148 12.823 1.00 0.00 O ATOM 1123 CB PHE A 71 -2.625 1.639 9.786 1.00 0.00 C ATOM 1124 CG PHE A 71 -3.269 1.271 8.483 1.00 0.00 C ATOM 1125 CD1 PHE A 71 -4.305 0.351 8.445 1.00 0.00 C ATOM 1126 CD2 PHE A 71 -2.838 1.836 7.296 1.00 0.00 C ATOM 1127 CE1 PHE A 71 -4.895 0.002 7.250 1.00 0.00 C ATOM 1128 CE2 PHE A 71 -3.425 1.492 6.097 1.00 0.00 C ATOM 1129 CZ PHE A 71 -4.456 0.574 6.073 1.00 0.00 C ATOM 0 H PHE A 71 -3.448 4.021 9.758 1.00 0.00 H new ATOM 0 HA PHE A 71 -4.494 1.558 10.810 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -1.841 2.374 9.603 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -2.143 0.757 10.208 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -4.654 -0.098 9.363 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -2.032 2.555 7.309 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -5.700 -0.718 7.234 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -3.079 1.940 5.177 1.00 0.00 H new ATOM 0 HZ PHE A 71 -4.918 0.304 5.135 1.00 0.00 H new ATOM 1139 N LYS A 72 -2.709 3.389 12.718 1.00 0.00 N ATOM 1140 CA LYS A 72 -2.246 3.548 14.094 1.00 0.00 C ATOM 1141 C LYS A 72 -3.383 3.218 15.045 1.00 0.00 C ATOM 1142 O LYS A 72 -3.174 2.690 16.137 1.00 0.00 O ATOM 1143 CB LYS A 72 -1.788 4.989 14.321 1.00 0.00 C ATOM 1144 CG LYS A 72 -0.989 5.212 15.591 1.00 0.00 C ATOM 1145 CD LYS A 72 -0.627 6.680 15.732 1.00 0.00 C ATOM 1146 CE LYS A 72 0.276 6.937 16.923 1.00 0.00 C ATOM 1147 NZ LYS A 72 0.505 8.393 17.131 1.00 0.00 N ATOM 0 H LYS A 72 -2.767 4.262 12.193 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.409 2.875 14.277 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.184 5.301 13.469 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.666 5.635 14.343 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.569 4.888 16.455 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.083 4.607 15.570 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.131 7.019 14.823 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.539 7.269 15.836 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.171 6.506 17.819 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.232 6.436 16.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.451 8.649 16.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.214 8.935 16.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 0.439 8.613 18.145 1.00 0.00 H new ATOM 1161 N GLY A 73 -4.587 3.533 14.603 1.00 0.00 N ATOM 1162 CA GLY A 73 -5.761 3.306 15.419 1.00 0.00 C ATOM 1163 C GLY A 73 -6.568 2.098 14.982 1.00 0.00 C ATOM 1164 O GLY A 73 -7.397 1.597 15.739 1.00 0.00 O ATOM 0 H GLY A 73 -4.775 3.944 13.689 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -5.454 3.174 16.457 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -6.396 4.191 15.384 1.00 0.00 H new ATOM 1168 N ASN A 74 -6.331 1.619 13.768 1.00 0.00 N ATOM 1169 CA ASN A 74 -7.105 0.503 13.235 1.00 0.00 C ATOM 1170 C ASN A 74 -6.414 -0.834 13.497 1.00 0.00 C ATOM 1171 O ASN A 74 -7.024 -1.751 14.047 1.00 0.00 O ATOM 1172 CB ASN A 74 -7.345 0.687 11.731 1.00 0.00 C ATOM 1173 CG ASN A 74 -8.455 -0.198 11.168 1.00 0.00 C ATOM 1174 OD1 ASN A 74 -8.629 -1.395 11.709 1.00 0.00 O flip ATOM 1175 ND2 ASN A 74 -9.155 0.198 10.240 1.00 0.00 N flip ATOM 0 H ASN A 74 -5.616 1.981 13.137 1.00 0.00 H new ATOM 0 HA ASN A 74 -8.065 0.492 13.750 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -7.593 1.731 11.538 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -6.419 0.475 11.197 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -8.999 1.124 9.843 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -9.893 -0.399 9.867 1.00 0.00 H new ATOM 1182 N LEU A 75 -5.155 -0.958 13.104 1.00 0.00 N ATOM 1183 CA LEU A 75 -4.478 -2.246 13.173 1.00 0.00 C ATOM 1184 C LEU A 75 -3.667 -2.377 14.454 1.00 0.00 C ATOM 1185 O LEU A 75 -2.858 -1.510 14.784 1.00 0.00 O ATOM 1186 CB LEU A 75 -3.582 -2.463 11.946 1.00 0.00 C ATOM 1187 CG LEU A 75 -2.965 -3.864 11.840 1.00 0.00 C ATOM 1188 CD1 LEU A 75 -4.035 -4.930 11.975 1.00 0.00 C ATOM 1189 CD2 LEU A 75 -2.229 -4.035 10.520 1.00 0.00 C ATOM 0 H LEU A 75 -4.587 -0.194 12.738 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.246 -3.020 13.179 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.168 -2.270 11.047 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.778 -1.728 11.966 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.249 -3.976 12.654 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.578 -5.916 11.897 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.525 -4.833 12.944 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.772 -4.808 11.181 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.801 -5.036 10.469 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.926 -3.896 9.694 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.432 -3.295 10.450 1.00 0.00 H new ATOM 1201 N GLU A 76 -3.926 -3.471 15.172 1.00 0.00 N ATOM 1202 CA GLU A 76 -3.255 -3.808 16.430 1.00 0.00 C ATOM 1203 C GLU A 76 -3.691 -2.883 17.566 1.00 0.00 C ATOM 1204 O GLU A 76 -3.336 -3.096 18.725 1.00 0.00 O ATOM 1205 CB GLU A 76 -1.729 -3.804 16.281 1.00 0.00 C ATOM 1206 CG GLU A 76 -1.030 -4.716 17.275 1.00 0.00 C ATOM 1207 CD GLU A 76 -1.370 -6.180 17.064 1.00 0.00 C ATOM 1208 OE1 GLU A 76 -2.437 -6.634 17.538 1.00 0.00 O ATOM 1209 OE2 GLU A 76 -0.575 -6.888 16.409 1.00 0.00 O ATOM 0 H GLU A 76 -4.622 -4.162 14.890 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.560 -4.822 16.687 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -1.468 -4.112 15.269 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.360 -2.786 16.409 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.048 -4.581 17.190 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.308 -4.425 18.288 1.00 0.00 H new ATOM 1216 N HIS A 77 -4.475 -1.862 17.244 1.00 0.00 N ATOM 1217 CA HIS A 77 -5.067 -1.019 18.273 1.00 0.00 C ATOM 1218 C HIS A 77 -6.339 -1.691 18.776 1.00 0.00 C ATOM 1219 O HIS A 77 -7.438 -1.145 18.706 1.00 0.00 O ATOM 1220 CB HIS A 77 -5.362 0.384 17.738 1.00 0.00 C ATOM 1221 CG HIS A 77 -5.681 1.377 18.811 1.00 0.00 C ATOM 1222 ND1 HIS A 77 -6.966 1.675 19.206 1.00 0.00 N ATOM 1223 CD2 HIS A 77 -4.867 2.136 19.582 1.00 0.00 C ATOM 1224 CE1 HIS A 77 -6.930 2.573 20.171 1.00 0.00 C ATOM 1225 NE2 HIS A 77 -5.670 2.868 20.420 1.00 0.00 N ATOM 0 H HIS A 77 -4.714 -1.600 16.288 1.00 0.00 H new ATOM 0 HA HIS A 77 -4.363 -0.902 19.097 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -4.500 0.737 17.172 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -6.200 0.330 17.043 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -3.788 2.161 19.544 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -7.788 2.995 20.673 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -5.344 3.533 21.122 1.00 0.00 H new ATOM 1234 N HIS A 78 -6.156 -2.905 19.247 1.00 0.00 N ATOM 1235 CA HIS A 78 -7.236 -3.754 19.707 1.00 0.00 C ATOM 1236 C HIS A 78 -6.639 -4.753 20.683 1.00 0.00 C ATOM 1237 O HIS A 78 -5.509 -5.196 20.489 1.00 0.00 O ATOM 1238 CB HIS A 78 -7.876 -4.473 18.502 1.00 0.00 C ATOM 1239 CG HIS A 78 -9.035 -5.374 18.830 1.00 0.00 C ATOM 1240 ND1 HIS A 78 -9.080 -6.570 19.459 1.00 0.00 N flip ATOM 1241 CD2 HIS A 78 -10.333 -5.097 18.457 1.00 0.00 C flip ATOM 1242 CE1 HIS A 78 -10.387 -6.989 19.456 1.00 0.00 C flip ATOM 1243 NE2 HIS A 78 -11.122 -6.081 18.846 1.00 0.00 N flip ATOM 0 H HIS A 78 -5.236 -3.339 19.323 1.00 0.00 H new ATOM 0 HA HIS A 78 -8.017 -3.174 20.199 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -8.213 -3.721 17.789 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -7.108 -5.064 18.003 1.00 0.00 H new ATOM 0 HD1 HIS A 78 -8.287 -7.070 19.862 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -10.654 -4.212 17.928 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -10.753 -7.911 19.883 1.00 0.00 H new ATOM 1252 N HIS A 79 -7.368 -5.080 21.738 1.00 0.00 N ATOM 1253 CA HIS A 79 -6.900 -6.067 22.695 1.00 0.00 C ATOM 1254 C HIS A 79 -6.709 -7.406 22.003 1.00 0.00 C ATOM 1255 O HIS A 79 -7.673 -8.117 21.722 1.00 0.00 O ATOM 1256 CB HIS A 79 -7.863 -6.196 23.874 1.00 0.00 C ATOM 1257 CG HIS A 79 -7.685 -5.120 24.902 1.00 0.00 C ATOM 1258 ND1 HIS A 79 -7.299 -5.378 26.197 1.00 0.00 N ATOM 1259 CD2 HIS A 79 -7.833 -3.777 24.818 1.00 0.00 C ATOM 1260 CE1 HIS A 79 -7.218 -4.244 26.866 1.00 0.00 C ATOM 1261 NE2 HIS A 79 -7.537 -3.256 26.050 1.00 0.00 N ATOM 0 H HIS A 79 -8.281 -4.679 21.952 1.00 0.00 H new ATOM 0 HA HIS A 79 -5.941 -5.735 23.093 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -8.887 -6.169 23.503 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -7.721 -7.168 24.346 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -8.130 -3.219 23.942 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -6.938 -4.141 27.904 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -7.559 -2.267 26.297 1.00 0.00 H new ATOM 1270 N HIS A 80 -5.451 -7.725 21.724 1.00 0.00 N ATOM 1271 CA HIS A 80 -5.089 -8.906 20.947 1.00 0.00 C ATOM 1272 C HIS A 80 -5.457 -10.179 21.707 1.00 0.00 C ATOM 1273 O HIS A 80 -5.470 -11.269 21.140 1.00 0.00 O ATOM 1274 CB HIS A 80 -3.585 -8.867 20.639 1.00 0.00 C ATOM 1275 CG HIS A 80 -3.161 -9.702 19.467 1.00 0.00 C ATOM 1276 ND1 HIS A 80 -2.686 -9.160 18.292 1.00 0.00 N ATOM 1277 CD2 HIS A 80 -3.104 -11.045 19.307 1.00 0.00 C ATOM 1278 CE1 HIS A 80 -2.360 -10.132 17.463 1.00 0.00 C ATOM 1279 NE2 HIS A 80 -2.602 -11.288 18.054 1.00 0.00 N ATOM 0 H HIS A 80 -4.651 -7.171 22.030 1.00 0.00 H new ATOM 0 HA HIS A 80 -5.644 -8.908 20.009 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -3.293 -7.833 20.455 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -3.039 -9.201 21.521 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -2.600 -8.163 18.095 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -3.399 -11.788 20.033 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -1.962 -10.004 16.467 1.00 0.00 H new ATOM 1288 N HIS A 81 -5.734 -10.019 23.007 1.00 0.00 N ATOM 1289 CA HIS A 81 -6.159 -11.117 23.884 1.00 0.00 C ATOM 1290 C HIS A 81 -4.978 -12.032 24.213 1.00 0.00 C ATOM 1291 O HIS A 81 -5.088 -12.942 25.033 1.00 0.00 O ATOM 1292 CB HIS A 81 -7.316 -11.908 23.245 1.00 0.00 C ATOM 1293 CG HIS A 81 -7.926 -12.950 24.135 1.00 0.00 C ATOM 1294 ND1 HIS A 81 -8.126 -14.253 23.737 1.00 0.00 N ATOM 1295 CD2 HIS A 81 -8.401 -12.869 25.399 1.00 0.00 C ATOM 1296 CE1 HIS A 81 -8.697 -14.928 24.717 1.00 0.00 C ATOM 1297 NE2 HIS A 81 -8.873 -14.112 25.737 1.00 0.00 N ATOM 0 H HIS A 81 -5.669 -9.119 23.483 1.00 0.00 H new ATOM 0 HA HIS A 81 -6.523 -10.690 24.819 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -8.094 -11.207 22.942 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -6.951 -12.391 22.339 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -8.407 -11.989 26.026 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -8.973 -15.972 24.688 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -9.292 -14.364 26.632 1.00 0.00 H new ATOM 1306 N HIS A 82 -3.847 -11.758 23.581 1.00 0.00 N ATOM 1307 CA HIS A 82 -2.627 -12.511 23.798 1.00 0.00 C ATOM 1308 C HIS A 82 -1.444 -11.676 23.317 1.00 0.00 C ATOM 1309 O HIS A 82 -0.908 -11.960 22.226 1.00 0.00 O ATOM 1310 CB HIS A 82 -2.677 -13.848 23.047 1.00 0.00 C ATOM 1311 CG HIS A 82 -1.542 -14.771 23.373 1.00 0.00 C ATOM 1312 ND1 HIS A 82 -0.474 -14.976 22.529 1.00 0.00 N ATOM 1313 CD2 HIS A 82 -1.320 -15.555 24.454 1.00 0.00 C ATOM 1314 CE1 HIS A 82 0.355 -15.842 23.075 1.00 0.00 C ATOM 1315 NE2 HIS A 82 -0.134 -16.212 24.245 1.00 0.00 N ATOM 1316 OXT HIS A 82 -1.102 -10.694 24.000 1.00 0.00 O ATOM 0 H HIS A 82 -3.752 -11.004 22.901 1.00 0.00 H new ATOM 0 HA HIS A 82 -2.517 -12.728 24.860 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -3.617 -14.348 23.278 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -2.676 -13.651 21.975 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -1.958 -15.646 25.320 1.00 0.00 H new ATOM 0 HE1 HIS A 82 1.279 -16.191 22.639 1.00 0.00 H new ATOM 0 HE2 HIS A 82 0.299 -16.876 24.887 1.00 0.00 H new TER 1325 HIS A 82 ATOM 1326 N MET B 1 -23.321 -17.395 -7.806 1.00 0.00 N ATOM 1327 CA MET B 1 -22.618 -18.204 -8.830 1.00 0.00 C ATOM 1328 C MET B 1 -23.596 -18.701 -9.883 1.00 0.00 C ATOM 1329 O MET B 1 -24.394 -19.604 -9.627 1.00 0.00 O ATOM 1330 CB MET B 1 -21.908 -19.400 -8.185 1.00 0.00 C ATOM 1331 CG MET B 1 -20.744 -19.015 -7.290 1.00 0.00 C ATOM 1332 SD MET B 1 -19.412 -18.201 -8.192 1.00 0.00 S ATOM 1333 CE MET B 1 -18.312 -17.778 -6.844 1.00 0.00 C ATOM 0 H1 MET B 1 -22.624 -16.967 -7.164 1.00 0.00 H new ATOM 0 H2 MET B 1 -23.869 -16.644 -8.273 1.00 0.00 H new ATOM 0 H3 MET B 1 -23.964 -18.006 -7.262 1.00 0.00 H new ATOM 0 HA MET B 1 -21.874 -17.566 -9.307 1.00 0.00 H new ATOM 0 HB2 MET B 1 -22.632 -19.967 -7.599 1.00 0.00 H new ATOM 0 HB3 MET B 1 -21.545 -20.062 -8.971 1.00 0.00 H new ATOM 0 HG2 MET B 1 -21.101 -18.353 -6.501 1.00 0.00 H new ATOM 0 HG3 MET B 1 -20.354 -19.909 -6.803 1.00 0.00 H new ATOM 0 HE1 MET B 1 -17.434 -17.266 -7.238 1.00 0.00 H new ATOM 0 HE2 MET B 1 -18.830 -17.124 -6.143 1.00 0.00 H new ATOM 0 HE3 MET B 1 -18.001 -18.687 -6.329 1.00 0.00 H new ATOM 1345 N LYS B 2 -23.548 -18.093 -11.059 1.00 0.00 N ATOM 1346 CA LYS B 2 -24.381 -18.517 -12.175 1.00 0.00 C ATOM 1347 C LYS B 2 -23.524 -18.749 -13.411 1.00 0.00 C ATOM 1348 O LYS B 2 -22.791 -17.855 -13.840 1.00 0.00 O ATOM 1349 CB LYS B 2 -25.459 -17.471 -12.474 1.00 0.00 C ATOM 1350 CG LYS B 2 -26.495 -17.323 -11.374 1.00 0.00 C ATOM 1351 CD LYS B 2 -27.473 -16.200 -11.679 1.00 0.00 C ATOM 1352 CE LYS B 2 -28.544 -16.096 -10.611 1.00 0.00 C ATOM 1353 NZ LYS B 2 -29.407 -14.908 -10.813 1.00 0.00 N ATOM 0 H LYS B 2 -22.939 -17.302 -11.266 1.00 0.00 H new ATOM 0 HA LYS B 2 -24.871 -19.451 -11.901 1.00 0.00 H new ATOM 0 HB2 LYS B 2 -24.979 -16.506 -12.640 1.00 0.00 H new ATOM 0 HB3 LYS B 2 -25.964 -17.739 -13.402 1.00 0.00 H new ATOM 0 HG2 LYS B 2 -27.040 -18.260 -11.257 1.00 0.00 H new ATOM 0 HG3 LYS B 2 -25.995 -17.124 -10.426 1.00 0.00 H new ATOM 0 HD2 LYS B 2 -26.934 -15.255 -11.750 1.00 0.00 H new ATOM 0 HD3 LYS B 2 -27.939 -16.374 -12.649 1.00 0.00 H new ATOM 0 HE2 LYS B 2 -29.157 -16.997 -10.622 1.00 0.00 H new ATOM 0 HE3 LYS B 2 -28.074 -16.042 -9.629 1.00 0.00 H new ATOM 0 HZ1 LYS B 2 -30.127 -14.871 -10.064 1.00 0.00 H new ATOM 0 HZ2 LYS B 2 -28.826 -14.046 -10.778 1.00 0.00 H new ATOM 0 HZ3 LYS B 2 -29.875 -14.972 -11.740 1.00 0.00 H new ATOM 1367 N LYS B 3 -23.615 -19.960 -13.962 1.00 0.00 N ATOM 1368 CA LYS B 3 -22.903 -20.339 -15.181 1.00 0.00 C ATOM 1369 C LYS B 3 -21.394 -20.401 -14.960 1.00 0.00 C ATOM 1370 O LYS B 3 -20.623 -20.384 -15.921 1.00 0.00 O ATOM 1371 CB LYS B 3 -23.242 -19.373 -16.320 1.00 0.00 C ATOM 1372 CG LYS B 3 -24.710 -19.391 -16.714 1.00 0.00 C ATOM 1373 CD LYS B 3 -25.131 -20.760 -17.221 1.00 0.00 C ATOM 1374 CE LYS B 3 -26.620 -20.818 -17.526 1.00 0.00 C ATOM 1375 NZ LYS B 3 -27.452 -20.563 -16.320 1.00 0.00 N ATOM 0 H LYS B 3 -24.188 -20.709 -13.572 1.00 0.00 H new ATOM 0 HA LYS B 3 -23.233 -21.340 -15.458 1.00 0.00 H new ATOM 0 HB2 LYS B 3 -22.966 -18.361 -16.022 1.00 0.00 H new ATOM 0 HB3 LYS B 3 -22.637 -19.625 -17.191 1.00 0.00 H new ATOM 0 HG2 LYS B 3 -25.322 -19.115 -15.855 1.00 0.00 H new ATOM 0 HG3 LYS B 3 -24.890 -18.644 -17.487 1.00 0.00 H new ATOM 0 HD2 LYS B 3 -24.566 -21.003 -18.121 1.00 0.00 H new ATOM 0 HD3 LYS B 3 -24.883 -21.515 -16.475 1.00 0.00 H new ATOM 0 HE2 LYS B 3 -26.861 -20.082 -18.293 1.00 0.00 H new ATOM 0 HE3 LYS B 3 -26.867 -21.798 -17.935 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 -28.432 -20.857 -16.506 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 -27.074 -21.105 -15.517 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 -27.432 -19.548 -16.093 1.00 0.00 H new ATOM 1389 N MET B 4 -20.996 -20.522 -13.692 1.00 0.00 N ATOM 1390 CA MET B 4 -19.590 -20.597 -13.296 1.00 0.00 C ATOM 1391 C MET B 4 -18.805 -19.373 -13.761 1.00 0.00 C ATOM 1392 O MET B 4 -18.376 -19.289 -14.912 1.00 0.00 O ATOM 1393 CB MET B 4 -18.930 -21.876 -13.818 1.00 0.00 C ATOM 1394 CG MET B 4 -17.502 -22.054 -13.327 1.00 0.00 C ATOM 1395 SD MET B 4 -16.720 -23.554 -13.955 1.00 0.00 S ATOM 1396 CE MET B 4 -15.105 -23.458 -13.178 1.00 0.00 C ATOM 0 H MET B 4 -21.645 -20.571 -12.907 1.00 0.00 H new ATOM 0 HA MET B 4 -19.571 -20.618 -12.206 1.00 0.00 H new ATOM 0 HB2 MET B 4 -19.524 -22.736 -13.509 1.00 0.00 H new ATOM 0 HB3 MET B 4 -18.934 -21.861 -14.908 1.00 0.00 H new ATOM 0 HG2 MET B 4 -16.910 -21.190 -13.628 1.00 0.00 H new ATOM 0 HG3 MET B 4 -17.499 -22.079 -12.237 1.00 0.00 H new ATOM 0 HE1 MET B 4 -14.507 -24.320 -13.473 1.00 0.00 H new ATOM 0 HE2 MET B 4 -14.603 -22.543 -13.494 1.00 0.00 H new ATOM 0 HE3 MET B 4 -15.222 -23.452 -12.094 1.00 0.00 H new ATOM 1406 N ALA B 5 -18.623 -18.422 -12.859 1.00 0.00 N ATOM 1407 CA ALA B 5 -17.870 -17.217 -13.172 1.00 0.00 C ATOM 1408 C ALA B 5 -16.372 -17.455 -13.021 1.00 0.00 C ATOM 1409 O ALA B 5 -15.566 -16.706 -13.568 1.00 0.00 O ATOM 1410 CB ALA B 5 -18.312 -16.061 -12.285 1.00 0.00 C ATOM 0 H ALA B 5 -18.985 -18.460 -11.906 1.00 0.00 H new ATOM 0 HA ALA B 5 -18.073 -16.956 -14.211 1.00 0.00 H new ATOM 0 HB1 ALA B 5 -17.737 -15.170 -12.535 1.00 0.00 H new ATOM 0 HB2 ALA B 5 -19.372 -15.865 -12.444 1.00 0.00 H new ATOM 0 HB3 ALA B 5 -18.144 -16.320 -11.240 1.00 0.00 H new ATOM 1416 N GLU B 6 -16.020 -18.514 -12.286 1.00 0.00 N ATOM 1417 CA GLU B 6 -14.625 -18.863 -12.016 1.00 0.00 C ATOM 1418 C GLU B 6 -13.932 -17.745 -11.240 1.00 0.00 C ATOM 1419 O GLU B 6 -13.325 -16.843 -11.826 1.00 0.00 O ATOM 1420 CB GLU B 6 -13.869 -19.170 -13.311 1.00 0.00 C ATOM 1421 CG GLU B 6 -12.436 -19.625 -13.090 1.00 0.00 C ATOM 1422 CD GLU B 6 -11.678 -19.789 -14.390 1.00 0.00 C ATOM 1423 OE1 GLU B 6 -11.095 -18.793 -14.873 1.00 0.00 O ATOM 1424 OE2 GLU B 6 -11.673 -20.907 -14.941 1.00 0.00 O ATOM 0 H GLU B 6 -16.694 -19.152 -11.863 1.00 0.00 H new ATOM 0 HA GLU B 6 -14.618 -19.765 -11.404 1.00 0.00 H new ATOM 0 HB2 GLU B 6 -14.406 -19.944 -13.860 1.00 0.00 H new ATOM 0 HB3 GLU B 6 -13.865 -18.279 -13.939 1.00 0.00 H new ATOM 0 HG2 GLU B 6 -11.920 -18.900 -12.460 1.00 0.00 H new ATOM 0 HG3 GLU B 6 -12.437 -20.572 -12.551 1.00 0.00 H new ATOM 1431 N PHE B 7 -14.061 -17.815 -9.921 1.00 0.00 N ATOM 1432 CA PHE B 7 -13.500 -16.819 -9.008 1.00 0.00 C ATOM 1433 C PHE B 7 -14.186 -15.472 -9.157 1.00 0.00 C ATOM 1434 O PHE B 7 -13.876 -14.684 -10.052 1.00 0.00 O ATOM 1435 CB PHE B 7 -11.988 -16.660 -9.189 1.00 0.00 C ATOM 1436 CG PHE B 7 -11.179 -17.632 -8.380 1.00 0.00 C ATOM 1437 CD1 PHE B 7 -10.867 -18.885 -8.879 1.00 0.00 C ATOM 1438 CD2 PHE B 7 -10.736 -17.288 -7.111 1.00 0.00 C ATOM 1439 CE1 PHE B 7 -10.127 -19.777 -8.127 1.00 0.00 C ATOM 1440 CE2 PHE B 7 -9.996 -18.175 -6.357 1.00 0.00 C ATOM 1441 CZ PHE B 7 -9.690 -19.420 -6.866 1.00 0.00 C ATOM 0 H PHE B 7 -14.561 -18.568 -9.449 1.00 0.00 H new ATOM 0 HA PHE B 7 -13.683 -17.191 -8.000 1.00 0.00 H new ATOM 0 HB2 PHE B 7 -11.742 -16.785 -10.243 1.00 0.00 H new ATOM 0 HB3 PHE B 7 -11.703 -15.645 -8.913 1.00 0.00 H new ATOM 0 HD1 PHE B 7 -11.205 -19.168 -9.865 1.00 0.00 H new ATOM 0 HD2 PHE B 7 -10.973 -16.314 -6.709 1.00 0.00 H new ATOM 0 HE1 PHE B 7 -9.890 -20.753 -8.525 1.00 0.00 H new ATOM 0 HE2 PHE B 7 -9.657 -17.895 -5.370 1.00 0.00 H new ATOM 0 HZ PHE B 7 -9.109 -20.116 -6.279 1.00 0.00 H new ATOM 1451 N THR B 8 -15.130 -15.224 -8.271 1.00 0.00 N ATOM 1452 CA THR B 8 -15.804 -13.946 -8.205 1.00 0.00 C ATOM 1453 C THR B 8 -15.184 -13.098 -7.104 1.00 0.00 C ATOM 1454 O THR B 8 -15.170 -13.495 -5.937 1.00 0.00 O ATOM 1455 CB THR B 8 -17.314 -14.131 -7.951 1.00 0.00 C ATOM 1456 OG1 THR B 8 -17.880 -14.949 -8.983 1.00 0.00 O ATOM 1457 CG2 THR B 8 -18.033 -12.789 -7.909 1.00 0.00 C ATOM 0 H THR B 8 -15.450 -15.902 -7.579 1.00 0.00 H new ATOM 0 HA THR B 8 -15.684 -13.439 -9.162 1.00 0.00 H new ATOM 0 HB THR B 8 -17.441 -14.617 -6.983 1.00 0.00 H new ATOM 0 HG1 THR B 8 -18.839 -15.066 -8.818 1.00 0.00 H new ATOM 0 HG21 THR B 8 -19.096 -12.951 -7.729 1.00 0.00 H new ATOM 0 HG22 THR B 8 -17.618 -12.179 -7.107 1.00 0.00 H new ATOM 0 HG23 THR B 8 -17.901 -12.276 -8.861 1.00 0.00 H new ATOM 1465 N PHE B 9 -14.647 -11.954 -7.481 1.00 0.00 N ATOM 1466 CA PHE B 9 -14.003 -11.067 -6.527 1.00 0.00 C ATOM 1467 C PHE B 9 -14.840 -9.815 -6.318 1.00 0.00 C ATOM 1468 O PHE B 9 -15.229 -9.144 -7.277 1.00 0.00 O ATOM 1469 CB PHE B 9 -12.575 -10.716 -6.977 1.00 0.00 C ATOM 1470 CG PHE B 9 -12.456 -10.282 -8.414 1.00 0.00 C ATOM 1471 CD1 PHE B 9 -12.244 -11.215 -9.417 1.00 0.00 C ATOM 1472 CD2 PHE B 9 -12.547 -8.942 -8.762 1.00 0.00 C ATOM 1473 CE1 PHE B 9 -12.129 -10.825 -10.737 1.00 0.00 C ATOM 1474 CE2 PHE B 9 -12.432 -8.545 -10.081 1.00 0.00 C ATOM 1475 CZ PHE B 9 -12.224 -9.488 -11.070 1.00 0.00 C ATOM 0 H PHE B 9 -14.643 -11.615 -8.443 1.00 0.00 H new ATOM 0 HA PHE B 9 -13.926 -11.586 -5.572 1.00 0.00 H new ATOM 0 HB2 PHE B 9 -12.193 -9.919 -6.338 1.00 0.00 H new ATOM 0 HB3 PHE B 9 -11.936 -11.585 -6.820 1.00 0.00 H new ATOM 0 HD1 PHE B 9 -12.168 -12.262 -9.163 1.00 0.00 H new ATOM 0 HD2 PHE B 9 -12.710 -8.201 -7.994 1.00 0.00 H new ATOM 0 HE1 PHE B 9 -11.965 -11.564 -11.507 1.00 0.00 H new ATOM 0 HE2 PHE B 9 -12.505 -7.499 -10.339 1.00 0.00 H new ATOM 0 HZ PHE B 9 -12.136 -9.180 -12.101 1.00 0.00 H new ATOM 1485 N GLU B 10 -15.142 -9.516 -5.066 1.00 0.00 N ATOM 1486 CA GLU B 10 -15.973 -8.368 -4.747 1.00 0.00 C ATOM 1487 C GLU B 10 -15.627 -7.818 -3.366 1.00 0.00 C ATOM 1488 O GLU B 10 -15.139 -8.550 -2.500 1.00 0.00 O ATOM 1489 CB GLU B 10 -17.452 -8.762 -4.827 1.00 0.00 C ATOM 1490 CG GLU B 10 -18.412 -7.594 -4.692 1.00 0.00 C ATOM 1491 CD GLU B 10 -19.829 -7.971 -5.056 1.00 0.00 C ATOM 1492 OE1 GLU B 10 -20.478 -8.692 -4.275 1.00 0.00 O ATOM 1493 OE2 GLU B 10 -20.299 -7.552 -6.137 1.00 0.00 O ATOM 0 H GLU B 10 -14.826 -10.050 -4.257 1.00 0.00 H new ATOM 0 HA GLU B 10 -15.782 -7.579 -5.474 1.00 0.00 H new ATOM 0 HB2 GLU B 10 -17.633 -9.259 -5.780 1.00 0.00 H new ATOM 0 HB3 GLU B 10 -17.667 -9.488 -4.042 1.00 0.00 H new ATOM 0 HG2 GLU B 10 -18.389 -7.224 -3.667 1.00 0.00 H new ATOM 0 HG3 GLU B 10 -18.080 -6.777 -5.333 1.00 0.00 H new ATOM 1500 N ILE B 11 -15.871 -6.526 -3.176 1.00 0.00 N ATOM 1501 CA ILE B 11 -15.572 -5.857 -1.916 1.00 0.00 C ATOM 1502 C ILE B 11 -16.647 -6.155 -0.873 1.00 0.00 C ATOM 1503 O ILE B 11 -17.840 -5.999 -1.138 1.00 0.00 O ATOM 1504 CB ILE B 11 -15.466 -4.328 -2.111 1.00 0.00 C ATOM 1505 CG1 ILE B 11 -14.473 -4.001 -3.230 1.00 0.00 C ATOM 1506 CG2 ILE B 11 -15.042 -3.657 -0.811 1.00 0.00 C ATOM 1507 CD1 ILE B 11 -14.422 -2.531 -3.586 1.00 0.00 C ATOM 0 H ILE B 11 -16.279 -5.917 -3.886 1.00 0.00 H new ATOM 0 HA ILE B 11 -14.614 -6.240 -1.565 1.00 0.00 H new ATOM 0 HB ILE B 11 -16.446 -3.945 -2.395 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -13.478 -4.328 -2.928 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -14.740 -4.572 -4.119 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -14.971 -2.580 -0.964 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -15.780 -3.866 -0.036 1.00 0.00 H new ATOM 0 HG23 ILE B 11 -14.071 -4.044 -0.502 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -13.698 -2.375 -4.385 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -15.407 -2.203 -3.920 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -14.125 -1.955 -2.710 1.00 0.00 H new ATOM 1519 N GLU B 12 -16.218 -6.605 0.298 1.00 0.00 N ATOM 1520 CA GLU B 12 -17.134 -6.871 1.403 1.00 0.00 C ATOM 1521 C GLU B 12 -17.023 -5.786 2.471 1.00 0.00 C ATOM 1522 O GLU B 12 -18.016 -5.412 3.102 1.00 0.00 O ATOM 1523 CB GLU B 12 -16.821 -8.233 2.028 1.00 0.00 C ATOM 1524 CG GLU B 12 -17.213 -9.415 1.163 1.00 0.00 C ATOM 1525 CD GLU B 12 -18.706 -9.659 1.152 1.00 0.00 C ATOM 1526 OE1 GLU B 12 -19.269 -9.950 2.229 1.00 0.00 O ATOM 1527 OE2 GLU B 12 -19.323 -9.575 0.076 1.00 0.00 O ATOM 0 H GLU B 12 -15.238 -6.795 0.510 1.00 0.00 H new ATOM 0 HA GLU B 12 -18.150 -6.875 1.009 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -15.753 -8.288 2.237 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -17.338 -8.309 2.985 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -16.869 -9.244 0.143 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -16.705 -10.309 1.525 1.00 0.00 H new ATOM 1534 N GLU B 13 -15.813 -5.275 2.654 1.00 0.00 N ATOM 1535 CA GLU B 13 -15.517 -4.337 3.731 1.00 0.00 C ATOM 1536 C GLU B 13 -14.345 -3.447 3.329 1.00 0.00 C ATOM 1537 O GLU B 13 -13.390 -3.928 2.730 1.00 0.00 O ATOM 1538 CB GLU B 13 -15.173 -5.128 5.001 1.00 0.00 C ATOM 1539 CG GLU B 13 -14.913 -4.278 6.231 1.00 0.00 C ATOM 1540 CD GLU B 13 -14.409 -5.105 7.401 1.00 0.00 C ATOM 1541 OE1 GLU B 13 -15.228 -5.784 8.057 1.00 0.00 O ATOM 1542 OE2 GLU B 13 -13.188 -5.087 7.667 1.00 0.00 O ATOM 0 H GLU B 13 -15.011 -5.497 2.064 1.00 0.00 H new ATOM 0 HA GLU B 13 -16.384 -3.705 3.923 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -15.992 -5.814 5.218 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -14.291 -5.737 4.805 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -14.181 -3.507 5.990 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -15.832 -3.766 6.518 1.00 0.00 H new ATOM 1549 N HIS B 14 -14.415 -2.161 3.638 1.00 0.00 N ATOM 1550 CA HIS B 14 -13.303 -1.262 3.340 1.00 0.00 C ATOM 1551 C HIS B 14 -12.651 -0.775 4.626 1.00 0.00 C ATOM 1552 O HIS B 14 -13.333 -0.385 5.574 1.00 0.00 O ATOM 1553 CB HIS B 14 -13.730 -0.086 2.442 1.00 0.00 C ATOM 1554 CG HIS B 14 -14.817 0.794 2.989 1.00 0.00 C ATOM 1555 ND1 HIS B 14 -16.151 0.597 2.712 1.00 0.00 N ATOM 1556 CD2 HIS B 14 -14.759 1.908 3.759 1.00 0.00 C ATOM 1557 CE1 HIS B 14 -16.863 1.550 3.281 1.00 0.00 C ATOM 1558 NE2 HIS B 14 -16.043 2.359 3.923 1.00 0.00 N ATOM 0 H HIS B 14 -15.216 -1.718 4.088 1.00 0.00 H new ATOM 0 HA HIS B 14 -12.563 -1.829 2.775 1.00 0.00 H new ATOM 0 HB2 HIS B 14 -12.854 0.532 2.244 1.00 0.00 H new ATOM 0 HB3 HIS B 14 -14.061 -0.487 1.484 1.00 0.00 H new ATOM 0 HD2 HIS B 14 -13.866 2.357 4.168 1.00 0.00 H new ATOM 0 HE1 HIS B 14 -17.937 1.651 3.230 1.00 0.00 H new ATOM 0 HE2 HIS B 14 -16.319 3.185 4.454 1.00 0.00 H new ATOM 1567 N LEU B 15 -11.324 -0.818 4.652 1.00 0.00 N ATOM 1568 CA LEU B 15 -10.561 -0.484 5.849 1.00 0.00 C ATOM 1569 C LEU B 15 -10.107 0.965 5.837 1.00 0.00 C ATOM 1570 O LEU B 15 -10.380 1.724 6.769 1.00 0.00 O ATOM 1571 CB LEU B 15 -9.333 -1.394 5.962 1.00 0.00 C ATOM 1572 CG LEU B 15 -9.622 -2.839 6.361 1.00 0.00 C ATOM 1573 CD1 LEU B 15 -8.395 -3.708 6.134 1.00 0.00 C ATOM 1574 CD2 LEU B 15 -10.043 -2.899 7.818 1.00 0.00 C ATOM 0 H LEU B 15 -10.750 -1.083 3.851 1.00 0.00 H new ATOM 0 HA LEU B 15 -11.217 -0.633 6.707 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -8.815 -1.397 5.003 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -8.649 -0.963 6.693 1.00 0.00 H new ATOM 0 HG LEU B 15 -10.434 -3.218 5.740 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -8.618 -4.735 6.423 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -8.119 -3.680 5.080 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -7.567 -3.333 6.736 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -10.248 -3.933 8.095 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -9.242 -2.507 8.445 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -10.942 -2.300 7.962 1.00 0.00 H new ATOM 1586 N LEU B 16 -9.432 1.355 4.767 1.00 0.00 N ATOM 1587 CA LEU B 16 -8.772 2.645 4.728 1.00 0.00 C ATOM 1588 C LEU B 16 -9.097 3.404 3.457 1.00 0.00 C ATOM 1589 O LEU B 16 -8.509 3.156 2.406 1.00 0.00 O ATOM 1590 CB LEU B 16 -7.260 2.456 4.820 1.00 0.00 C ATOM 1591 CG LEU B 16 -6.561 3.269 5.906 1.00 0.00 C ATOM 1592 CD1 LEU B 16 -6.795 4.755 5.705 1.00 0.00 C ATOM 1593 CD2 LEU B 16 -7.039 2.829 7.278 1.00 0.00 C ATOM 0 H LEU B 16 -9.329 0.798 3.919 1.00 0.00 H new ATOM 0 HA LEU B 16 -9.134 3.225 5.577 1.00 0.00 H new ATOM 0 HB2 LEU B 16 -7.053 1.400 4.992 1.00 0.00 H new ATOM 0 HB3 LEU B 16 -6.820 2.715 3.857 1.00 0.00 H new ATOM 0 HG LEU B 16 -5.488 3.088 5.837 1.00 0.00 H new ATOM 0 HD11 LEU B 16 -6.287 5.313 6.491 1.00 0.00 H new ATOM 0 HD12 LEU B 16 -6.402 5.057 4.734 1.00 0.00 H new ATOM 0 HD13 LEU B 16 -7.864 4.964 5.745 1.00 0.00 H new ATOM 0 HD21 LEU B 16 -6.534 3.416 8.045 1.00 0.00 H new ATOM 0 HD22 LEU B 16 -8.115 2.982 7.355 1.00 0.00 H new ATOM 0 HD23 LEU B 16 -6.812 1.773 7.421 1.00 0.00 H new ATOM 1605 N THR B 17 -10.031 4.321 3.552 1.00 0.00 N ATOM 1606 CA THR B 17 -10.303 5.220 2.454 1.00 0.00 C ATOM 1607 C THR B 17 -9.284 6.349 2.482 1.00 0.00 C ATOM 1608 O THR B 17 -9.414 7.295 3.263 1.00 0.00 O ATOM 1609 CB THR B 17 -11.727 5.803 2.530 1.00 0.00 C ATOM 1610 OG1 THR B 17 -12.682 4.743 2.701 1.00 0.00 O ATOM 1611 CG2 THR B 17 -12.053 6.590 1.267 1.00 0.00 C ATOM 0 H THR B 17 -10.615 4.464 4.376 1.00 0.00 H new ATOM 0 HA THR B 17 -10.229 4.659 1.522 1.00 0.00 H new ATOM 0 HB THR B 17 -11.778 6.478 3.385 1.00 0.00 H new ATOM 0 HG1 THR B 17 -13.585 5.121 2.750 1.00 0.00 H new ATOM 0 HG21 THR B 17 -13.063 6.994 1.340 1.00 0.00 H new ATOM 0 HG22 THR B 17 -11.342 7.409 1.155 1.00 0.00 H new ATOM 0 HG23 THR B 17 -11.987 5.931 0.401 1.00 0.00 H new ATOM 1619 N LEU B 18 -8.242 6.216 1.672 1.00 0.00 N ATOM 1620 CA LEU B 18 -7.179 7.208 1.631 1.00 0.00 C ATOM 1621 C LEU B 18 -7.706 8.514 1.060 1.00 0.00 C ATOM 1622 O LEU B 18 -7.848 9.498 1.784 1.00 0.00 O ATOM 1623 CB LEU B 18 -6.005 6.700 0.791 1.00 0.00 C ATOM 1624 CG LEU B 18 -5.370 5.399 1.287 1.00 0.00 C ATOM 1625 CD1 LEU B 18 -4.263 4.954 0.344 1.00 0.00 C ATOM 1626 CD2 LEU B 18 -4.826 5.580 2.696 1.00 0.00 C ATOM 0 H LEU B 18 -8.111 5.430 1.035 1.00 0.00 H new ATOM 0 HA LEU B 18 -6.827 7.383 2.648 1.00 0.00 H new ATOM 0 HB2 LEU B 18 -6.348 6.552 -0.233 1.00 0.00 H new ATOM 0 HB3 LEU B 18 -5.237 7.473 0.762 1.00 0.00 H new ATOM 0 HG LEU B 18 -6.137 4.625 1.308 1.00 0.00 H new ATOM 0 HD11 LEU B 18 -3.822 4.027 0.712 1.00 0.00 H new ATOM 0 HD12 LEU B 18 -4.677 4.789 -0.651 1.00 0.00 H new ATOM 0 HD13 LEU B 18 -3.495 5.726 0.294 1.00 0.00 H new ATOM 0 HD21 LEU B 18 -4.377 4.646 3.036 1.00 0.00 H new ATOM 0 HD22 LEU B 18 -4.071 6.366 2.696 1.00 0.00 H new ATOM 0 HD23 LEU B 18 -5.639 5.857 3.367 1.00 0.00 H new ATOM 1638 N SER B 19 -8.018 8.495 -0.230 1.00 0.00 N ATOM 1639 CA SER B 19 -8.534 9.666 -0.924 1.00 0.00 C ATOM 1640 C SER B 19 -8.668 9.351 -2.405 1.00 0.00 C ATOM 1641 O SER B 19 -8.448 8.211 -2.824 1.00 0.00 O ATOM 1642 CB SER B 19 -7.596 10.864 -0.740 1.00 0.00 C ATOM 1643 OG SER B 19 -6.331 10.605 -1.316 1.00 0.00 O ATOM 0 H SER B 19 -7.921 7.670 -0.822 1.00 0.00 H new ATOM 0 HA SER B 19 -9.508 9.921 -0.506 1.00 0.00 H new ATOM 0 HB2 SER B 19 -8.035 11.749 -1.200 1.00 0.00 H new ATOM 0 HB3 SER B 19 -7.480 11.081 0.322 1.00 0.00 H new ATOM 0 HG SER B 19 -5.626 10.833 -0.674 1.00 0.00 H new ATOM 1649 N GLU B 20 -9.028 10.345 -3.196 1.00 0.00 N ATOM 1650 CA GLU B 20 -9.030 10.189 -4.634 1.00 0.00 C ATOM 1651 C GLU B 20 -7.885 10.998 -5.227 1.00 0.00 C ATOM 1652 O GLU B 20 -7.590 12.107 -4.773 1.00 0.00 O ATOM 1653 CB GLU B 20 -10.365 10.625 -5.240 1.00 0.00 C ATOM 1654 CG GLU B 20 -10.657 12.101 -5.067 1.00 0.00 C ATOM 1655 CD GLU B 20 -11.924 12.520 -5.772 1.00 0.00 C ATOM 1656 OE1 GLU B 20 -11.867 12.775 -6.992 1.00 0.00 O ATOM 1657 OE2 GLU B 20 -12.984 12.592 -5.112 1.00 0.00 O ATOM 0 H GLU B 20 -9.321 11.265 -2.866 1.00 0.00 H new ATOM 0 HA GLU B 20 -8.894 9.134 -4.872 1.00 0.00 H new ATOM 0 HB2 GLU B 20 -10.367 10.385 -6.303 1.00 0.00 H new ATOM 0 HB3 GLU B 20 -11.168 10.048 -4.781 1.00 0.00 H new ATOM 0 HG2 GLU B 20 -10.742 12.330 -4.005 1.00 0.00 H new ATOM 0 HG3 GLU B 20 -9.820 12.683 -5.453 1.00 0.00 H new ATOM 1664 N ASN B 21 -7.222 10.433 -6.211 1.00 0.00 N ATOM 1665 CA ASN B 21 -6.103 11.099 -6.846 1.00 0.00 C ATOM 1666 C ASN B 21 -6.400 11.393 -8.308 1.00 0.00 C ATOM 1667 O ASN B 21 -7.267 10.753 -8.930 1.00 0.00 O ATOM 1668 CB ASN B 21 -4.811 10.280 -6.708 1.00 0.00 C ATOM 1669 CG ASN B 21 -4.942 8.847 -7.197 1.00 0.00 C ATOM 1670 OD1 ASN B 21 -5.266 7.946 -6.419 1.00 0.00 O ATOM 1671 ND2 ASN B 21 -4.673 8.618 -8.474 1.00 0.00 N ATOM 0 H ASN B 21 -7.438 9.511 -6.591 1.00 0.00 H new ATOM 0 HA ASN B 21 -5.953 12.048 -6.332 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -4.016 10.774 -7.267 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -4.507 10.271 -5.661 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -4.731 7.670 -8.845 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -4.408 9.390 -9.086 1.00 0.00 H new ATOM 1678 N GLU B 22 -5.690 12.395 -8.828 1.00 0.00 N ATOM 1679 CA GLU B 22 -5.770 12.796 -10.229 1.00 0.00 C ATOM 1680 C GLU B 22 -7.189 13.201 -10.616 1.00 0.00 C ATOM 1681 O GLU B 22 -7.523 13.250 -11.800 1.00 0.00 O ATOM 1682 CB GLU B 22 -5.246 11.676 -11.135 1.00 0.00 C ATOM 1683 CG GLU B 22 -3.843 11.226 -10.760 1.00 0.00 C ATOM 1684 CD GLU B 22 -3.204 10.335 -11.804 1.00 0.00 C ATOM 1685 OE1 GLU B 22 -3.449 9.111 -11.783 1.00 0.00 O ATOM 1686 OE2 GLU B 22 -2.432 10.858 -12.636 1.00 0.00 O ATOM 0 H GLU B 22 -5.037 12.956 -8.281 1.00 0.00 H new ATOM 0 HA GLU B 22 -5.138 13.673 -10.366 1.00 0.00 H new ATOM 0 HB2 GLU B 22 -5.923 10.824 -11.081 1.00 0.00 H new ATOM 0 HB3 GLU B 22 -5.249 12.020 -12.169 1.00 0.00 H new ATOM 0 HG2 GLU B 22 -3.215 12.104 -10.607 1.00 0.00 H new ATOM 0 HG3 GLU B 22 -3.881 10.692 -9.810 1.00 0.00 H new ATOM 1693 N LYS B 23 -7.993 13.530 -9.599 1.00 0.00 N ATOM 1694 CA LYS B 23 -9.384 13.935 -9.781 1.00 0.00 C ATOM 1695 C LYS B 23 -10.215 12.815 -10.406 1.00 0.00 C ATOM 1696 O LYS B 23 -10.201 12.603 -11.620 1.00 0.00 O ATOM 1697 CB LYS B 23 -9.471 15.218 -10.619 1.00 0.00 C ATOM 1698 CG LYS B 23 -10.891 15.694 -10.867 1.00 0.00 C ATOM 1699 CD LYS B 23 -10.911 17.050 -11.549 1.00 0.00 C ATOM 1700 CE LYS B 23 -10.413 18.147 -10.621 1.00 0.00 C ATOM 1701 NZ LYS B 23 -10.342 19.465 -11.304 1.00 0.00 N ATOM 0 H LYS B 23 -7.692 13.522 -8.624 1.00 0.00 H new ATOM 0 HA LYS B 23 -9.802 14.142 -8.796 1.00 0.00 H new ATOM 0 HB2 LYS B 23 -8.916 16.009 -10.114 1.00 0.00 H new ATOM 0 HB3 LYS B 23 -8.982 15.048 -11.578 1.00 0.00 H new ATOM 0 HG2 LYS B 23 -11.417 14.967 -11.485 1.00 0.00 H new ATOM 0 HG3 LYS B 23 -11.427 15.754 -9.920 1.00 0.00 H new ATOM 0 HD2 LYS B 23 -10.289 17.018 -12.443 1.00 0.00 H new ATOM 0 HD3 LYS B 23 -11.925 17.280 -11.875 1.00 0.00 H new ATOM 0 HE2 LYS B 23 -11.076 18.221 -9.759 1.00 0.00 H new ATOM 0 HE3 LYS B 23 -9.426 17.881 -10.243 1.00 0.00 H new ATOM 0 HZ1 LYS B 23 -9.998 20.184 -10.636 1.00 0.00 H new ATOM 0 HZ2 LYS B 23 -9.690 19.403 -12.112 1.00 0.00 H new ATOM 0 HZ3 LYS B 23 -11.288 19.732 -11.643 1.00 0.00 H new ATOM 1715 N GLY B 24 -10.936 12.092 -9.564 1.00 0.00 N ATOM 1716 CA GLY B 24 -11.793 11.037 -10.051 1.00 0.00 C ATOM 1717 C GLY B 24 -11.371 9.661 -9.581 1.00 0.00 C ATOM 1718 O GLY B 24 -12.211 8.869 -9.153 1.00 0.00 O ATOM 0 H GLY B 24 -10.942 12.218 -8.552 1.00 0.00 H new ATOM 0 HA2 GLY B 24 -12.815 11.228 -9.724 1.00 0.00 H new ATOM 0 HA3 GLY B 24 -11.798 11.056 -11.141 1.00 0.00 H new ATOM 1722 N TRP B 25 -10.076 9.366 -9.634 1.00 0.00 N ATOM 1723 CA TRP B 25 -9.618 8.018 -9.339 1.00 0.00 C ATOM 1724 C TRP B 25 -9.458 7.830 -7.847 1.00 0.00 C ATOM 1725 O TRP B 25 -8.497 8.303 -7.243 1.00 0.00 O ATOM 1726 CB TRP B 25 -8.318 7.705 -10.078 1.00 0.00 C ATOM 1727 CG TRP B 25 -8.544 7.346 -11.515 1.00 0.00 C ATOM 1728 CD1 TRP B 25 -8.888 8.191 -12.530 1.00 0.00 C ATOM 1729 CD2 TRP B 25 -8.450 6.039 -12.095 1.00 0.00 C ATOM 1730 NE1 TRP B 25 -9.020 7.489 -13.703 1.00 0.00 N ATOM 1731 CE2 TRP B 25 -8.750 6.168 -13.464 1.00 0.00 C ATOM 1732 CE3 TRP B 25 -8.137 4.773 -11.589 1.00 0.00 C ATOM 1733 CZ2 TRP B 25 -8.750 5.079 -14.331 1.00 0.00 C ATOM 1734 CZ3 TRP B 25 -8.136 3.693 -12.452 1.00 0.00 C ATOM 1735 CH2 TRP B 25 -8.438 3.852 -13.810 1.00 0.00 C ATOM 0 H TRP B 25 -9.339 10.030 -9.874 1.00 0.00 H new ATOM 0 HA TRP B 25 -10.373 7.315 -9.692 1.00 0.00 H new ATOM 0 HB2 TRP B 25 -7.656 8.569 -10.023 1.00 0.00 H new ATOM 0 HB3 TRP B 25 -7.809 6.881 -9.577 1.00 0.00 H new ATOM 0 HD1 TRP B 25 -9.035 9.256 -12.426 1.00 0.00 H new ATOM 0 HE1 TRP B 25 -9.277 7.887 -14.606 1.00 0.00 H new ATOM 0 HE3 TRP B 25 -7.900 4.642 -10.543 1.00 0.00 H new ATOM 0 HZ2 TRP B 25 -8.988 5.198 -15.378 1.00 0.00 H new ATOM 0 HZ3 TRP B 25 -7.898 2.710 -12.072 1.00 0.00 H new ATOM 0 HH2 TRP B 25 -8.425 2.989 -14.460 1.00 0.00 H new ATOM 1746 N THR B 26 -10.413 7.139 -7.254 1.00 0.00 N ATOM 1747 CA THR B 26 -10.440 6.981 -5.818 1.00 0.00 C ATOM 1748 C THR B 26 -9.592 5.786 -5.409 1.00 0.00 C ATOM 1749 O THR B 26 -9.626 4.738 -6.046 1.00 0.00 O ATOM 1750 CB THR B 26 -11.881 6.800 -5.312 1.00 0.00 C ATOM 1751 OG1 THR B 26 -12.749 7.725 -5.983 1.00 0.00 O ATOM 1752 CG2 THR B 26 -11.957 7.034 -3.812 1.00 0.00 C ATOM 0 H THR B 26 -11.179 6.679 -7.747 1.00 0.00 H new ATOM 0 HA THR B 26 -10.029 7.884 -5.367 1.00 0.00 H new ATOM 0 HB THR B 26 -12.196 5.778 -5.524 1.00 0.00 H new ATOM 0 HG1 THR B 26 -13.666 7.606 -5.660 1.00 0.00 H new ATOM 0 HG21 THR B 26 -12.985 6.901 -3.475 1.00 0.00 H new ATOM 0 HG22 THR B 26 -11.312 6.321 -3.299 1.00 0.00 H new ATOM 0 HG23 THR B 26 -11.629 8.048 -3.585 1.00 0.00 H new ATOM 1760 N LYS B 27 -8.838 5.953 -4.342 1.00 0.00 N ATOM 1761 CA LYS B 27 -7.886 4.952 -3.917 1.00 0.00 C ATOM 1762 C LYS B 27 -8.083 4.621 -2.448 1.00 0.00 C ATOM 1763 O LYS B 27 -7.988 5.495 -1.577 1.00 0.00 O ATOM 1764 CB LYS B 27 -6.478 5.473 -4.183 1.00 0.00 C ATOM 1765 CG LYS B 27 -5.361 4.599 -3.650 1.00 0.00 C ATOM 1766 CD LYS B 27 -3.992 5.189 -3.975 1.00 0.00 C ATOM 1767 CE LYS B 27 -3.734 6.512 -3.255 1.00 0.00 C ATOM 1768 NZ LYS B 27 -4.588 7.628 -3.757 1.00 0.00 N ATOM 0 H LYS B 27 -8.868 6.782 -3.749 1.00 0.00 H new ATOM 0 HA LYS B 27 -8.038 4.031 -4.480 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -6.347 5.589 -5.259 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -6.385 6.465 -3.742 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -5.465 4.490 -2.570 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -5.441 3.601 -4.080 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -3.218 4.473 -3.699 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -3.914 5.344 -5.051 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -3.911 6.379 -2.188 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -2.685 6.784 -3.372 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -4.081 8.529 -3.648 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -4.807 7.473 -4.762 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -5.473 7.661 -3.211 1.00 0.00 H new ATOM 1782 N GLU B 28 -8.363 3.360 -2.177 1.00 0.00 N ATOM 1783 CA GLU B 28 -8.649 2.911 -0.828 1.00 0.00 C ATOM 1784 C GLU B 28 -8.068 1.528 -0.585 1.00 0.00 C ATOM 1785 O GLU B 28 -7.791 0.783 -1.524 1.00 0.00 O ATOM 1786 CB GLU B 28 -10.161 2.880 -0.595 1.00 0.00 C ATOM 1787 CG GLU B 28 -10.903 1.987 -1.575 1.00 0.00 C ATOM 1788 CD GLU B 28 -12.384 1.909 -1.290 1.00 0.00 C ATOM 1789 OE1 GLU B 28 -13.111 2.861 -1.647 1.00 0.00 O ATOM 1790 OE2 GLU B 28 -12.831 0.895 -0.711 1.00 0.00 O ATOM 0 H GLU B 28 -8.398 2.623 -2.881 1.00 0.00 H new ATOM 0 HA GLU B 28 -8.188 3.611 -0.131 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -10.358 2.536 0.420 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -10.554 3.894 -0.669 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -10.752 2.362 -2.587 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -10.478 0.984 -1.540 1.00 0.00 H new ATOM 1797 N ILE B 29 -7.871 1.206 0.677 1.00 0.00 N ATOM 1798 CA ILE B 29 -7.424 -0.113 1.077 1.00 0.00 C ATOM 1799 C ILE B 29 -8.602 -0.871 1.669 1.00 0.00 C ATOM 1800 O ILE B 29 -9.091 -0.534 2.751 1.00 0.00 O ATOM 1801 CB ILE B 29 -6.283 -0.033 2.112 1.00 0.00 C ATOM 1802 CG1 ILE B 29 -5.179 0.901 1.605 1.00 0.00 C ATOM 1803 CG2 ILE B 29 -5.725 -1.424 2.393 1.00 0.00 C ATOM 1804 CD1 ILE B 29 -4.047 1.106 2.587 1.00 0.00 C ATOM 0 H ILE B 29 -8.016 1.851 1.454 1.00 0.00 H new ATOM 0 HA ILE B 29 -7.040 -0.632 0.199 1.00 0.00 H new ATOM 0 HB ILE B 29 -6.678 0.371 3.044 1.00 0.00 H new ATOM 0 HG12 ILE B 29 -4.773 0.497 0.678 1.00 0.00 H new ATOM 0 HG13 ILE B 29 -5.618 1.869 1.365 1.00 0.00 H new ATOM 0 HG21 ILE B 29 -4.921 -1.352 3.125 1.00 0.00 H new ATOM 0 HG22 ILE B 29 -6.517 -2.061 2.786 1.00 0.00 H new ATOM 0 HG23 ILE B 29 -5.338 -1.854 1.469 1.00 0.00 H new ATOM 0 HD11 ILE B 29 -3.307 1.779 2.154 1.00 0.00 H new ATOM 0 HD12 ILE B 29 -4.438 1.540 3.507 1.00 0.00 H new ATOM 0 HD13 ILE B 29 -3.579 0.147 2.809 1.00 0.00 H new ATOM 1816 N ASN B 30 -9.076 -1.875 0.958 1.00 0.00 N ATOM 1817 CA ASN B 30 -10.280 -2.577 1.366 1.00 0.00 C ATOM 1818 C ASN B 30 -10.082 -4.085 1.341 1.00 0.00 C ATOM 1819 O ASN B 30 -8.978 -4.572 1.091 1.00 0.00 O ATOM 1820 CB ASN B 30 -11.468 -2.162 0.483 1.00 0.00 C ATOM 1821 CG ASN B 30 -11.222 -2.347 -1.007 1.00 0.00 C ATOM 1822 OD1 ASN B 30 -10.567 -3.293 -1.438 1.00 0.00 O ATOM 1823 ND2 ASN B 30 -11.734 -1.423 -1.802 1.00 0.00 N ATOM 0 H ASN B 30 -8.650 -2.223 0.099 1.00 0.00 H new ATOM 0 HA ASN B 30 -10.500 -2.296 2.396 1.00 0.00 H new ATOM 0 HB2 ASN B 30 -12.343 -2.744 0.772 1.00 0.00 H new ATOM 0 HB3 ASN B 30 -11.703 -1.115 0.675 1.00 0.00 H new ATOM 0 HD21 ASN B 30 -11.591 -1.481 -2.810 1.00 0.00 H new ATOM 0 HD22 ASN B 30 -12.272 -0.652 -1.407 1.00 0.00 H new ATOM 1830 N ARG B 31 -11.147 -4.814 1.637 1.00 0.00 N ATOM 1831 CA ARG B 31 -11.096 -6.263 1.679 1.00 0.00 C ATOM 1832 C ARG B 31 -11.895 -6.858 0.531 1.00 0.00 C ATOM 1833 O ARG B 31 -13.118 -6.685 0.452 1.00 0.00 O ATOM 1834 CB ARG B 31 -11.638 -6.783 3.010 1.00 0.00 C ATOM 1835 CG ARG B 31 -10.946 -6.191 4.224 1.00 0.00 C ATOM 1836 CD ARG B 31 -11.399 -6.873 5.500 1.00 0.00 C ATOM 1837 NE ARG B 31 -11.109 -8.308 5.478 1.00 0.00 N ATOM 1838 CZ ARG B 31 -11.628 -9.187 6.332 1.00 0.00 C ATOM 1839 NH1 ARG B 31 -12.460 -8.777 7.281 1.00 0.00 N ATOM 1840 NH2 ARG B 31 -11.314 -10.473 6.228 1.00 0.00 N ATOM 0 H ARG B 31 -12.063 -4.420 1.853 1.00 0.00 H new ATOM 0 HA ARG B 31 -10.054 -6.567 1.580 1.00 0.00 H new ATOM 0 HB2 ARG B 31 -12.704 -6.564 3.068 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -11.533 -7.868 3.036 1.00 0.00 H new ATOM 0 HG2 ARG B 31 -9.866 -6.294 4.117 1.00 0.00 H new ATOM 0 HG3 ARG B 31 -11.160 -5.124 4.283 1.00 0.00 H new ATOM 0 HD2 ARG B 31 -10.902 -6.414 6.354 1.00 0.00 H new ATOM 0 HD3 ARG B 31 -12.470 -6.720 5.634 1.00 0.00 H new ATOM 0 HE ARG B 31 -10.469 -8.656 4.764 1.00 0.00 H new ATOM 0 HH11 ARG B 31 -12.701 -7.789 7.356 1.00 0.00 H new ATOM 0 HH12 ARG B 31 -12.858 -9.450 7.936 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -10.677 -10.785 5.495 1.00 0.00 H new ATOM 0 HH22 ARG B 31 -11.710 -11.149 6.881 1.00 0.00 H new ATOM 1854 N VAL B 32 -11.202 -7.551 -0.353 1.00 0.00 N ATOM 1855 CA VAL B 32 -11.838 -8.194 -1.487 1.00 0.00 C ATOM 1856 C VAL B 32 -11.924 -9.697 -1.255 1.00 0.00 C ATOM 1857 O VAL B 32 -10.912 -10.355 -1.005 1.00 0.00 O ATOM 1858 CB VAL B 32 -11.066 -7.920 -2.798 1.00 0.00 C ATOM 1859 CG1 VAL B 32 -11.766 -8.560 -3.987 1.00 0.00 C ATOM 1860 CG2 VAL B 32 -10.899 -6.424 -3.020 1.00 0.00 C ATOM 0 H VAL B 32 -10.192 -7.683 -0.306 1.00 0.00 H new ATOM 0 HA VAL B 32 -12.841 -7.778 -1.585 1.00 0.00 H new ATOM 0 HB VAL B 32 -10.077 -8.368 -2.705 1.00 0.00 H new ATOM 0 HG11 VAL B 32 -11.202 -8.352 -4.896 1.00 0.00 H new ATOM 0 HG12 VAL B 32 -11.827 -9.638 -3.836 1.00 0.00 H new ATOM 0 HG13 VAL B 32 -12.771 -8.150 -4.082 1.00 0.00 H new ATOM 0 HG21 VAL B 32 -10.353 -6.253 -3.948 1.00 0.00 H new ATOM 0 HG22 VAL B 32 -11.880 -5.954 -3.084 1.00 0.00 H new ATOM 0 HG23 VAL B 32 -10.344 -5.992 -2.187 1.00 0.00 H new ATOM 1870 N SER B 33 -13.134 -10.229 -1.310 1.00 0.00 N ATOM 1871 CA SER B 33 -13.343 -11.656 -1.152 1.00 0.00 C ATOM 1872 C SER B 33 -13.150 -12.365 -2.485 1.00 0.00 C ATOM 1873 O SER B 33 -13.686 -11.938 -3.511 1.00 0.00 O ATOM 1874 CB SER B 33 -14.741 -11.932 -0.604 1.00 0.00 C ATOM 1875 OG SER B 33 -14.922 -11.308 0.653 1.00 0.00 O ATOM 0 H SER B 33 -13.987 -9.691 -1.463 1.00 0.00 H new ATOM 0 HA SER B 33 -12.611 -12.039 -0.441 1.00 0.00 H new ATOM 0 HB2 SER B 33 -15.490 -11.567 -1.307 1.00 0.00 H new ATOM 0 HB3 SER B 33 -14.892 -13.007 -0.506 1.00 0.00 H new ATOM 0 HG SER B 33 -15.380 -11.925 1.262 1.00 0.00 H new ATOM 1881 N PHE B 34 -12.374 -13.435 -2.465 1.00 0.00 N ATOM 1882 CA PHE B 34 -12.080 -14.180 -3.676 1.00 0.00 C ATOM 1883 C PHE B 34 -12.851 -15.493 -3.715 1.00 0.00 C ATOM 1884 O PHE B 34 -12.483 -16.458 -3.041 1.00 0.00 O ATOM 1885 CB PHE B 34 -10.574 -14.449 -3.790 1.00 0.00 C ATOM 1886 CG PHE B 34 -9.745 -13.198 -3.883 1.00 0.00 C ATOM 1887 CD1 PHE B 34 -9.630 -12.516 -5.085 1.00 0.00 C ATOM 1888 CD2 PHE B 34 -9.087 -12.701 -2.770 1.00 0.00 C ATOM 1889 CE1 PHE B 34 -8.871 -11.365 -5.175 1.00 0.00 C ATOM 1890 CE2 PHE B 34 -8.327 -11.549 -2.854 1.00 0.00 C ATOM 1891 CZ PHE B 34 -8.220 -10.880 -4.058 1.00 0.00 C ATOM 0 H PHE B 34 -11.936 -13.807 -1.622 1.00 0.00 H new ATOM 0 HA PHE B 34 -12.396 -13.574 -4.525 1.00 0.00 H new ATOM 0 HB2 PHE B 34 -10.250 -15.026 -2.924 1.00 0.00 H new ATOM 0 HB3 PHE B 34 -10.389 -15.064 -4.671 1.00 0.00 H new ATOM 0 HD1 PHE B 34 -10.140 -12.889 -5.961 1.00 0.00 H new ATOM 0 HD2 PHE B 34 -9.169 -13.219 -1.826 1.00 0.00 H new ATOM 0 HE1 PHE B 34 -8.787 -10.845 -6.118 1.00 0.00 H new ATOM 0 HE2 PHE B 34 -7.818 -11.173 -1.979 1.00 0.00 H new ATOM 0 HZ PHE B 34 -7.628 -9.979 -4.125 1.00 0.00 H new ATOM 1901 N ASN B 35 -13.941 -15.499 -4.483 1.00 0.00 N ATOM 1902 CA ASN B 35 -14.721 -16.708 -4.765 1.00 0.00 C ATOM 1903 C ASN B 35 -15.486 -17.206 -3.533 1.00 0.00 C ATOM 1904 O ASN B 35 -16.705 -17.049 -3.447 1.00 0.00 O ATOM 1905 CB ASN B 35 -13.804 -17.823 -5.304 1.00 0.00 C ATOM 1906 CG ASN B 35 -14.555 -19.033 -5.850 1.00 0.00 C ATOM 1907 OD1 ASN B 35 -15.657 -19.358 -5.415 1.00 0.00 O ATOM 1908 ND2 ASN B 35 -13.943 -19.718 -6.803 1.00 0.00 N ATOM 0 H ASN B 35 -14.311 -14.661 -4.931 1.00 0.00 H new ATOM 0 HA ASN B 35 -15.458 -16.445 -5.523 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -13.175 -17.412 -6.093 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -13.139 -18.151 -4.505 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -14.386 -20.546 -7.201 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -13.028 -19.418 -7.139 1.00 0.00 H new ATOM 1915 N GLY B 36 -14.769 -17.787 -2.585 1.00 0.00 N ATOM 1916 CA GLY B 36 -15.414 -18.478 -1.488 1.00 0.00 C ATOM 1917 C GLY B 36 -15.608 -17.615 -0.259 1.00 0.00 C ATOM 1918 O GLY B 36 -16.682 -17.051 -0.051 1.00 0.00 O ATOM 0 H GLY B 36 -13.749 -17.793 -2.555 1.00 0.00 H new ATOM 0 HA2 GLY B 36 -16.385 -18.845 -1.821 1.00 0.00 H new ATOM 0 HA3 GLY B 36 -14.819 -19.351 -1.219 1.00 0.00 H new ATOM 1922 N ALA B 37 -14.568 -17.508 0.554 1.00 0.00 N ATOM 1923 CA ALA B 37 -14.675 -16.841 1.845 1.00 0.00 C ATOM 1924 C ALA B 37 -13.542 -15.835 2.103 1.00 0.00 C ATOM 1925 O ALA B 37 -13.815 -14.726 2.564 1.00 0.00 O ATOM 1926 CB ALA B 37 -14.738 -17.873 2.965 1.00 0.00 C ATOM 0 H ALA B 37 -13.640 -17.874 0.344 1.00 0.00 H new ATOM 0 HA ALA B 37 -15.599 -16.264 1.825 1.00 0.00 H new ATOM 0 HB1 ALA B 37 -14.818 -17.363 3.925 1.00 0.00 H new ATOM 0 HB2 ALA B 37 -15.608 -18.514 2.821 1.00 0.00 H new ATOM 0 HB3 ALA B 37 -13.833 -18.481 2.951 1.00 0.00 H new ATOM 1932 N PRO B 38 -12.261 -16.206 1.845 1.00 0.00 N ATOM 1933 CA PRO B 38 -11.103 -15.333 2.105 1.00 0.00 C ATOM 1934 C PRO B 38 -11.263 -13.915 1.553 1.00 0.00 C ATOM 1935 O PRO B 38 -11.300 -13.704 0.338 1.00 0.00 O ATOM 1936 CB PRO B 38 -9.933 -16.045 1.404 1.00 0.00 C ATOM 1937 CG PRO B 38 -10.548 -17.147 0.609 1.00 0.00 C ATOM 1938 CD PRO B 38 -11.819 -17.498 1.318 1.00 0.00 C ATOM 0 HA PRO B 38 -10.963 -15.194 3.177 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -9.385 -15.357 0.760 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -9.221 -16.437 2.131 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -10.746 -16.828 -0.414 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -9.881 -18.007 0.552 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -12.554 -17.932 0.640 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -11.652 -18.224 2.114 1.00 0.00 H new ATOM 1946 N ALA B 39 -11.370 -12.954 2.462 1.00 0.00 N ATOM 1947 CA ALA B 39 -11.410 -11.545 2.101 1.00 0.00 C ATOM 1948 C ALA B 39 -10.085 -10.885 2.461 1.00 0.00 C ATOM 1949 O ALA B 39 -9.850 -10.534 3.623 1.00 0.00 O ATOM 1950 CB ALA B 39 -12.567 -10.848 2.803 1.00 0.00 C ATOM 0 H ALA B 39 -11.431 -13.129 3.465 1.00 0.00 H new ATOM 0 HA ALA B 39 -11.566 -11.457 1.026 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -12.582 -9.795 2.522 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -13.506 -11.316 2.508 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -12.442 -10.933 3.882 1.00 0.00 H new ATOM 1956 N LYS B 40 -9.220 -10.741 1.470 1.00 0.00 N ATOM 1957 CA LYS B 40 -7.863 -10.265 1.697 1.00 0.00 C ATOM 1958 C LYS B 40 -7.816 -8.743 1.684 1.00 0.00 C ATOM 1959 O LYS B 40 -8.766 -8.091 1.257 1.00 0.00 O ATOM 1960 CB LYS B 40 -6.929 -10.818 0.620 1.00 0.00 C ATOM 1961 CG LYS B 40 -5.619 -11.367 1.162 1.00 0.00 C ATOM 1962 CD LYS B 40 -5.845 -12.646 1.949 1.00 0.00 C ATOM 1963 CE LYS B 40 -4.532 -13.274 2.385 1.00 0.00 C ATOM 1964 NZ LYS B 40 -4.748 -14.602 3.012 1.00 0.00 N ATOM 0 H LYS B 40 -9.434 -10.948 0.495 1.00 0.00 H new ATOM 0 HA LYS B 40 -7.536 -10.615 2.676 1.00 0.00 H new ATOM 0 HB2 LYS B 40 -7.446 -11.609 0.076 1.00 0.00 H new ATOM 0 HB3 LYS B 40 -6.711 -10.028 -0.098 1.00 0.00 H new ATOM 0 HG2 LYS B 40 -4.933 -11.561 0.337 1.00 0.00 H new ATOM 0 HG3 LYS B 40 -5.146 -10.622 1.802 1.00 0.00 H new ATOM 0 HD2 LYS B 40 -6.455 -12.431 2.826 1.00 0.00 H new ATOM 0 HD3 LYS B 40 -6.403 -13.356 1.339 1.00 0.00 H new ATOM 0 HE2 LYS B 40 -3.874 -13.380 1.523 1.00 0.00 H new ATOM 0 HE3 LYS B 40 -4.028 -12.614 3.091 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 -3.832 -15.004 3.298 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 -5.357 -14.496 3.849 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 -5.207 -15.238 2.329 1.00 0.00 H new ATOM 1978 N PHE B 41 -6.709 -8.186 2.153 1.00 0.00 N ATOM 1979 CA PHE B 41 -6.529 -6.743 2.160 1.00 0.00 C ATOM 1980 C PHE B 41 -5.870 -6.319 0.855 1.00 0.00 C ATOM 1981 O PHE B 41 -4.868 -6.902 0.454 1.00 0.00 O ATOM 1982 CB PHE B 41 -5.654 -6.304 3.343 1.00 0.00 C ATOM 1983 CG PHE B 41 -6.086 -6.847 4.678 1.00 0.00 C ATOM 1984 CD1 PHE B 41 -7.427 -7.026 4.967 1.00 0.00 C ATOM 1985 CD2 PHE B 41 -5.147 -7.187 5.642 1.00 0.00 C ATOM 1986 CE1 PHE B 41 -7.829 -7.529 6.189 1.00 0.00 C ATOM 1987 CE2 PHE B 41 -5.542 -7.692 6.867 1.00 0.00 C ATOM 1988 CZ PHE B 41 -6.887 -7.863 7.141 1.00 0.00 C ATOM 0 H PHE B 41 -5.922 -8.712 2.534 1.00 0.00 H new ATOM 0 HA PHE B 41 -7.505 -6.268 2.262 1.00 0.00 H new ATOM 0 HB2 PHE B 41 -4.627 -6.616 3.154 1.00 0.00 H new ATOM 0 HB3 PHE B 41 -5.652 -5.215 3.392 1.00 0.00 H new ATOM 0 HD1 PHE B 41 -8.170 -6.769 4.227 1.00 0.00 H new ATOM 0 HD2 PHE B 41 -4.096 -7.056 5.433 1.00 0.00 H new ATOM 0 HE1 PHE B 41 -8.880 -7.661 6.400 1.00 0.00 H new ATOM 0 HE2 PHE B 41 -4.802 -7.953 7.609 1.00 0.00 H new ATOM 0 HZ PHE B 41 -7.199 -8.257 8.097 1.00 0.00 H new ATOM 1998 N ASP B 42 -6.431 -5.330 0.186 1.00 0.00 N ATOM 1999 CA ASP B 42 -5.880 -4.883 -1.086 1.00 0.00 C ATOM 2000 C ASP B 42 -5.987 -3.366 -1.210 1.00 0.00 C ATOM 2001 O ASP B 42 -6.983 -2.771 -0.798 1.00 0.00 O ATOM 2002 CB ASP B 42 -6.616 -5.561 -2.250 1.00 0.00 C ATOM 2003 CG ASP B 42 -5.841 -5.502 -3.555 1.00 0.00 C ATOM 2004 OD1 ASP B 42 -5.523 -4.390 -4.018 1.00 0.00 O ATOM 2005 OD2 ASP B 42 -5.569 -6.571 -4.143 1.00 0.00 O ATOM 0 H ASP B 42 -7.260 -4.823 0.495 1.00 0.00 H new ATOM 0 HA ASP B 42 -4.827 -5.162 -1.124 1.00 0.00 H new ATOM 0 HB2 ASP B 42 -6.808 -6.603 -1.994 1.00 0.00 H new ATOM 0 HB3 ASP B 42 -7.586 -5.083 -2.388 1.00 0.00 H new ATOM 2010 N ILE B 43 -4.947 -2.749 -1.750 1.00 0.00 N ATOM 2011 CA ILE B 43 -4.945 -1.313 -1.988 1.00 0.00 C ATOM 2012 C ILE B 43 -5.358 -1.039 -3.429 1.00 0.00 C ATOM 2013 O ILE B 43 -4.567 -1.231 -4.347 1.00 0.00 O ATOM 2014 CB ILE B 43 -3.553 -0.694 -1.740 1.00 0.00 C ATOM 2015 CG1 ILE B 43 -3.017 -1.124 -0.373 1.00 0.00 C ATOM 2016 CG2 ILE B 43 -3.618 0.825 -1.842 1.00 0.00 C ATOM 2017 CD1 ILE B 43 -1.619 -0.619 -0.078 1.00 0.00 C ATOM 0 H ILE B 43 -4.089 -3.223 -2.033 1.00 0.00 H new ATOM 0 HA ILE B 43 -5.650 -0.859 -1.292 1.00 0.00 H new ATOM 0 HB ILE B 43 -2.869 -1.057 -2.507 1.00 0.00 H new ATOM 0 HG12 ILE B 43 -3.694 -0.765 0.402 1.00 0.00 H new ATOM 0 HG13 ILE B 43 -3.019 -2.213 -0.318 1.00 0.00 H new ATOM 0 HG21 ILE B 43 -2.628 1.244 -1.664 1.00 0.00 H new ATOM 0 HG22 ILE B 43 -3.959 1.109 -2.838 1.00 0.00 H new ATOM 0 HG23 ILE B 43 -4.314 1.210 -1.097 1.00 0.00 H new ATOM 0 HD11 ILE B 43 -1.308 -0.964 0.908 1.00 0.00 H new ATOM 0 HD12 ILE B 43 -0.928 -1.000 -0.830 1.00 0.00 H new ATOM 0 HD13 ILE B 43 -1.614 0.471 -0.099 1.00 0.00 H new ATOM 2029 N ARG B 44 -6.589 -0.589 -3.625 1.00 0.00 N ATOM 2030 CA ARG B 44 -7.145 -0.445 -4.966 1.00 0.00 C ATOM 2031 C ARG B 44 -7.397 1.009 -5.333 1.00 0.00 C ATOM 2032 O ARG B 44 -7.850 1.806 -4.509 1.00 0.00 O ATOM 2033 CB ARG B 44 -8.454 -1.231 -5.088 1.00 0.00 C ATOM 2034 CG ARG B 44 -8.250 -2.731 -5.125 1.00 0.00 C ATOM 2035 CD ARG B 44 -7.541 -3.160 -6.397 1.00 0.00 C ATOM 2036 NE ARG B 44 -6.910 -4.464 -6.242 1.00 0.00 N ATOM 2037 CZ ARG B 44 -6.920 -5.430 -7.151 1.00 0.00 C ATOM 2038 NH1 ARG B 44 -7.552 -5.264 -8.310 1.00 0.00 N ATOM 2039 NH2 ARG B 44 -6.305 -6.577 -6.887 1.00 0.00 N ATOM 0 H ARG B 44 -7.223 -0.317 -2.874 1.00 0.00 H new ATOM 0 HA ARG B 44 -6.404 -0.844 -5.659 1.00 0.00 H new ATOM 0 HB2 ARG B 44 -9.100 -0.980 -4.247 1.00 0.00 H new ATOM 0 HB3 ARG B 44 -8.974 -0.919 -5.994 1.00 0.00 H new ATOM 0 HG2 ARG B 44 -7.667 -3.042 -4.258 1.00 0.00 H new ATOM 0 HG3 ARG B 44 -9.215 -3.233 -5.057 1.00 0.00 H new ATOM 0 HD2 ARG B 44 -8.256 -3.196 -7.219 1.00 0.00 H new ATOM 0 HD3 ARG B 44 -6.787 -2.419 -6.662 1.00 0.00 H new ATOM 0 HE ARG B 44 -6.422 -4.649 -5.365 1.00 0.00 H new ATOM 0 HH11 ARG B 44 -8.035 -4.387 -8.507 1.00 0.00 H new ATOM 0 HH12 ARG B 44 -7.553 -6.013 -9.002 1.00 0.00 H new ATOM 0 HH21 ARG B 44 -5.832 -6.708 -5.993 1.00 0.00 H new ATOM 0 HH22 ARG B 44 -6.306 -7.327 -7.578 1.00 0.00 H new ATOM 2053 N ALA B 45 -7.090 1.342 -6.575 1.00 0.00 N ATOM 2054 CA ALA B 45 -7.458 2.624 -7.141 1.00 0.00 C ATOM 2055 C ALA B 45 -8.514 2.402 -8.215 1.00 0.00 C ATOM 2056 O ALA B 45 -8.215 1.879 -9.287 1.00 0.00 O ATOM 2057 CB ALA B 45 -6.238 3.325 -7.717 1.00 0.00 C ATOM 0 H ALA B 45 -6.581 0.733 -7.215 1.00 0.00 H new ATOM 0 HA ALA B 45 -7.866 3.265 -6.360 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -6.535 4.286 -8.137 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -5.504 3.486 -6.927 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -5.799 2.707 -8.500 1.00 0.00 H new ATOM 2063 N TRP B 46 -9.746 2.775 -7.916 1.00 0.00 N ATOM 2064 CA TRP B 46 -10.856 2.501 -8.812 1.00 0.00 C ATOM 2065 C TRP B 46 -11.348 3.772 -9.494 1.00 0.00 C ATOM 2066 O TRP B 46 -11.233 4.874 -8.957 1.00 0.00 O ATOM 2067 CB TRP B 46 -12.001 1.786 -8.074 1.00 0.00 C ATOM 2068 CG TRP B 46 -12.431 2.428 -6.782 1.00 0.00 C ATOM 2069 CD1 TRP B 46 -11.882 2.227 -5.545 1.00 0.00 C ATOM 2070 CD2 TRP B 46 -13.521 3.341 -6.592 1.00 0.00 C ATOM 2071 NE1 TRP B 46 -12.558 2.965 -4.604 1.00 0.00 N ATOM 2072 CE2 TRP B 46 -13.566 3.658 -5.219 1.00 0.00 C ATOM 2073 CE3 TRP B 46 -14.458 3.929 -7.448 1.00 0.00 C ATOM 2074 CZ2 TRP B 46 -14.515 4.529 -4.687 1.00 0.00 C ATOM 2075 CZ3 TRP B 46 -15.397 4.795 -6.919 1.00 0.00 C ATOM 2076 CH2 TRP B 46 -15.419 5.088 -5.548 1.00 0.00 C ATOM 0 H TRP B 46 -10.003 3.268 -7.061 1.00 0.00 H new ATOM 0 HA TRP B 46 -10.492 1.831 -9.591 1.00 0.00 H new ATOM 0 HB2 TRP B 46 -12.863 1.733 -8.739 1.00 0.00 H new ATOM 0 HB3 TRP B 46 -11.694 0.761 -7.867 1.00 0.00 H new ATOM 0 HD1 TRP B 46 -11.040 1.582 -5.339 1.00 0.00 H new ATOM 0 HE1 TRP B 46 -12.343 2.992 -3.607 1.00 0.00 H new ATOM 0 HE3 TRP B 46 -14.448 3.710 -8.506 1.00 0.00 H new ATOM 0 HZ2 TRP B 46 -14.536 4.755 -3.631 1.00 0.00 H new ATOM 0 HZ3 TRP B 46 -16.125 5.253 -7.572 1.00 0.00 H new ATOM 0 HH2 TRP B 46 -16.165 5.769 -5.164 1.00 0.00 H new ATOM 2087 N SER B 47 -11.889 3.598 -10.689 1.00 0.00 N ATOM 2088 CA SER B 47 -12.318 4.709 -11.519 1.00 0.00 C ATOM 2089 C SER B 47 -13.706 5.197 -11.114 1.00 0.00 C ATOM 2090 O SER B 47 -14.524 4.423 -10.604 1.00 0.00 O ATOM 2091 CB SER B 47 -12.316 4.264 -12.981 1.00 0.00 C ATOM 2092 OG SER B 47 -13.000 3.028 -13.130 1.00 0.00 O ATOM 0 H SER B 47 -12.043 2.682 -11.110 1.00 0.00 H new ATOM 0 HA SER B 47 -11.626 5.541 -11.384 1.00 0.00 H new ATOM 0 HB2 SER B 47 -12.792 5.026 -13.599 1.00 0.00 H new ATOM 0 HB3 SER B 47 -11.290 4.162 -13.334 1.00 0.00 H new ATOM 0 HG SER B 47 -12.434 2.398 -13.623 1.00 0.00 H new ATOM 2098 N PRO B 48 -13.994 6.487 -11.343 1.00 0.00 N ATOM 2099 CA PRO B 48 -15.301 7.068 -11.033 1.00 0.00 C ATOM 2100 C PRO B 48 -16.382 6.531 -11.962 1.00 0.00 C ATOM 2101 O PRO B 48 -17.549 6.424 -11.590 1.00 0.00 O ATOM 2102 CB PRO B 48 -15.088 8.567 -11.253 1.00 0.00 C ATOM 2103 CG PRO B 48 -13.954 8.657 -12.216 1.00 0.00 C ATOM 2104 CD PRO B 48 -13.069 7.480 -11.922 1.00 0.00 C ATOM 0 HA PRO B 48 -15.638 6.828 -10.025 1.00 0.00 H new ATOM 0 HB2 PRO B 48 -15.985 9.039 -11.654 1.00 0.00 H new ATOM 0 HB3 PRO B 48 -14.853 9.074 -10.317 1.00 0.00 H new ATOM 0 HG2 PRO B 48 -14.312 8.629 -13.245 1.00 0.00 H new ATOM 0 HG3 PRO B 48 -13.411 9.594 -12.093 1.00 0.00 H new ATOM 0 HD2 PRO B 48 -12.590 7.103 -12.826 1.00 0.00 H new ATOM 0 HD3 PRO B 48 -12.273 7.741 -11.225 1.00 0.00 H new ATOM 2112 N ASP B 49 -15.971 6.186 -13.176 1.00 0.00 N ATOM 2113 CA ASP B 49 -16.867 5.600 -14.167 1.00 0.00 C ATOM 2114 C ASP B 49 -17.042 4.108 -13.908 1.00 0.00 C ATOM 2115 O ASP B 49 -17.999 3.497 -14.375 1.00 0.00 O ATOM 2116 CB ASP B 49 -16.314 5.824 -15.576 1.00 0.00 C ATOM 2117 CG ASP B 49 -14.902 5.298 -15.729 1.00 0.00 C ATOM 2118 OD1 ASP B 49 -14.740 4.093 -15.998 1.00 0.00 O ATOM 2119 OD2 ASP B 49 -13.951 6.090 -15.570 1.00 0.00 O ATOM 0 H ASP B 49 -15.011 6.304 -13.501 1.00 0.00 H new ATOM 0 HA ASP B 49 -17.839 6.086 -14.086 1.00 0.00 H new ATOM 0 HB2 ASP B 49 -16.963 5.333 -16.301 1.00 0.00 H new ATOM 0 HB3 ASP B 49 -16.329 6.890 -15.805 1.00 0.00 H new ATOM 2124 N HIS B 50 -16.087 3.536 -13.167 1.00 0.00 N ATOM 2125 CA HIS B 50 -16.113 2.128 -12.737 1.00 0.00 C ATOM 2126 C HIS B 50 -15.806 1.173 -13.888 1.00 0.00 C ATOM 2127 O HIS B 50 -15.520 -0.008 -13.664 1.00 0.00 O ATOM 2128 CB HIS B 50 -17.461 1.743 -12.102 1.00 0.00 C ATOM 2129 CG HIS B 50 -17.957 2.706 -11.066 1.00 0.00 C ATOM 2130 ND1 HIS B 50 -17.217 3.091 -9.966 1.00 0.00 N ATOM 2131 CD2 HIS B 50 -19.127 3.383 -10.985 1.00 0.00 C ATOM 2132 CE1 HIS B 50 -17.913 3.961 -9.256 1.00 0.00 C ATOM 2133 NE2 HIS B 50 -19.071 4.153 -9.855 1.00 0.00 N ATOM 0 H HIS B 50 -15.262 4.042 -12.843 1.00 0.00 H new ATOM 0 HA HIS B 50 -15.331 2.032 -11.984 1.00 0.00 H new ATOM 0 HB2 HIS B 50 -18.209 1.660 -12.890 1.00 0.00 H new ATOM 0 HB3 HIS B 50 -17.366 0.757 -11.647 1.00 0.00 H new ATOM 0 HD2 HIS B 50 -19.950 3.326 -11.682 1.00 0.00 H new ATOM 0 HE1 HIS B 50 -17.588 4.434 -8.341 1.00 0.00 H new ATOM 0 HE2 HIS B 50 -19.809 4.777 -9.528 1.00 0.00 H new ATOM 2142 N THR B 51 -15.849 1.682 -15.109 1.00 0.00 N ATOM 2143 CA THR B 51 -15.642 0.856 -16.284 1.00 0.00 C ATOM 2144 C THR B 51 -14.160 0.721 -16.619 1.00 0.00 C ATOM 2145 O THR B 51 -13.738 -0.280 -17.197 1.00 0.00 O ATOM 2146 CB THR B 51 -16.422 1.402 -17.500 1.00 0.00 C ATOM 2147 OG1 THR B 51 -16.193 2.811 -17.664 1.00 0.00 O ATOM 2148 CG2 THR B 51 -17.911 1.147 -17.331 1.00 0.00 C ATOM 0 H THR B 51 -16.026 2.666 -15.311 1.00 0.00 H new ATOM 0 HA THR B 51 -16.027 -0.136 -16.049 1.00 0.00 H new ATOM 0 HB THR B 51 -16.065 0.882 -18.389 1.00 0.00 H new ATOM 0 HG1 THR B 51 -15.377 3.068 -17.186 1.00 0.00 H new ATOM 0 HG21 THR B 51 -18.447 1.537 -18.196 1.00 0.00 H new ATOM 0 HG22 THR B 51 -18.089 0.075 -17.247 1.00 0.00 H new ATOM 0 HG23 THR B 51 -18.265 1.646 -16.429 1.00 0.00 H new ATOM 2156 N LYS B 52 -13.369 1.725 -16.256 1.00 0.00 N ATOM 2157 CA LYS B 52 -11.924 1.632 -16.410 1.00 0.00 C ATOM 2158 C LYS B 52 -11.354 0.733 -15.322 1.00 0.00 C ATOM 2159 O LYS B 52 -11.681 0.893 -14.143 1.00 0.00 O ATOM 2160 CB LYS B 52 -11.254 3.009 -16.322 1.00 0.00 C ATOM 2161 CG LYS B 52 -11.799 4.044 -17.293 1.00 0.00 C ATOM 2162 CD LYS B 52 -10.862 5.238 -17.399 1.00 0.00 C ATOM 2163 CE LYS B 52 -11.486 6.386 -18.175 1.00 0.00 C ATOM 2164 NZ LYS B 52 -12.349 7.239 -17.312 1.00 0.00 N ATOM 0 H LYS B 52 -13.701 2.603 -15.857 1.00 0.00 H new ATOM 0 HA LYS B 52 -11.721 1.215 -17.396 1.00 0.00 H new ATOM 0 HB2 LYS B 52 -11.367 3.389 -15.306 1.00 0.00 H new ATOM 0 HB3 LYS B 52 -10.185 2.890 -16.501 1.00 0.00 H new ATOM 0 HG2 LYS B 52 -11.931 3.592 -18.276 1.00 0.00 H new ATOM 0 HG3 LYS B 52 -12.782 4.377 -16.961 1.00 0.00 H new ATOM 0 HD2 LYS B 52 -10.596 5.579 -16.399 1.00 0.00 H new ATOM 0 HD3 LYS B 52 -9.937 4.931 -17.888 1.00 0.00 H new ATOM 0 HE2 LYS B 52 -10.698 6.996 -18.616 1.00 0.00 H new ATOM 0 HE3 LYS B 52 -12.078 5.987 -18.999 1.00 0.00 H new ATOM 0 HZ1 LYS B 52 -13.104 7.664 -17.888 1.00 0.00 H new ATOM 0 HZ2 LYS B 52 -12.773 6.657 -16.561 1.00 0.00 H new ATOM 0 HZ3 LYS B 52 -11.774 7.992 -16.883 1.00 0.00 H new ATOM 2178 N MET B 53 -10.518 -0.215 -15.714 1.00 0.00 N ATOM 2179 CA MET B 53 -9.892 -1.113 -14.753 1.00 0.00 C ATOM 2180 C MET B 53 -8.783 -0.393 -13.999 1.00 0.00 C ATOM 2181 O MET B 53 -7.946 0.283 -14.600 1.00 0.00 O ATOM 2182 CB MET B 53 -9.335 -2.361 -15.445 1.00 0.00 C ATOM 2183 CG MET B 53 -10.409 -3.277 -16.008 1.00 0.00 C ATOM 2184 SD MET B 53 -9.734 -4.791 -16.718 1.00 0.00 S ATOM 2185 CE MET B 53 -11.237 -5.620 -17.234 1.00 0.00 C ATOM 0 H MET B 53 -10.257 -0.383 -16.686 1.00 0.00 H new ATOM 0 HA MET B 53 -10.656 -1.430 -14.043 1.00 0.00 H new ATOM 0 HB2 MET B 53 -8.673 -2.052 -16.254 1.00 0.00 H new ATOM 0 HB3 MET B 53 -8.729 -2.921 -14.733 1.00 0.00 H new ATOM 0 HG2 MET B 53 -11.112 -3.535 -15.216 1.00 0.00 H new ATOM 0 HG3 MET B 53 -10.972 -2.742 -16.773 1.00 0.00 H new ATOM 0 HE1 MET B 53 -10.986 -6.576 -17.694 1.00 0.00 H new ATOM 0 HE2 MET B 53 -11.874 -5.791 -16.366 1.00 0.00 H new ATOM 0 HE3 MET B 53 -11.766 -4.998 -17.956 1.00 0.00 H new ATOM 2195 N GLY B 54 -8.796 -0.531 -12.681 1.00 0.00 N ATOM 2196 CA GLY B 54 -7.793 0.108 -11.857 1.00 0.00 C ATOM 2197 C GLY B 54 -6.789 -0.884 -11.320 1.00 0.00 C ATOM 2198 O GLY B 54 -7.071 -2.078 -11.249 1.00 0.00 O ATOM 0 H GLY B 54 -9.487 -1.077 -12.167 1.00 0.00 H new ATOM 0 HA2 GLY B 54 -7.275 0.869 -12.441 1.00 0.00 H new ATOM 0 HA3 GLY B 54 -8.278 0.619 -11.026 1.00 0.00 H new ATOM 2202 N LYS B 55 -5.617 -0.395 -10.948 1.00 0.00 N ATOM 2203 CA LYS B 55 -4.566 -1.257 -10.426 1.00 0.00 C ATOM 2204 C LYS B 55 -4.613 -1.301 -8.904 1.00 0.00 C ATOM 2205 O LYS B 55 -5.257 -0.462 -8.268 1.00 0.00 O ATOM 2206 CB LYS B 55 -3.194 -0.775 -10.906 1.00 0.00 C ATOM 2207 CG LYS B 55 -2.987 -0.947 -12.403 1.00 0.00 C ATOM 2208 CD LYS B 55 -1.615 -0.463 -12.848 1.00 0.00 C ATOM 2209 CE LYS B 55 -1.383 -0.748 -14.325 1.00 0.00 C ATOM 2210 NZ LYS B 55 -0.063 -0.247 -14.795 1.00 0.00 N ATOM 0 H LYS B 55 -5.369 0.593 -10.997 1.00 0.00 H new ATOM 0 HA LYS B 55 -4.731 -2.267 -10.802 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -3.075 0.277 -10.648 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -2.417 -1.323 -10.373 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -3.104 -1.998 -12.667 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -3.758 -0.396 -12.941 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -1.527 0.608 -12.663 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -0.843 -0.954 -12.255 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -1.445 -1.822 -14.500 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -2.176 -0.283 -14.912 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 0.051 -0.464 -15.806 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -0.012 0.782 -14.653 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 0.696 -0.709 -14.255 1.00 0.00 H new ATOM 2224 N GLY B 56 -3.931 -2.282 -8.331 1.00 0.00 N ATOM 2225 CA GLY B 56 -3.916 -2.442 -6.897 1.00 0.00 C ATOM 2226 C GLY B 56 -2.857 -3.425 -6.457 1.00 0.00 C ATOM 2227 O GLY B 56 -2.134 -3.975 -7.292 1.00 0.00 O ATOM 0 H GLY B 56 -3.384 -2.975 -8.842 1.00 0.00 H new ATOM 0 HA2 GLY B 56 -3.735 -1.476 -6.425 1.00 0.00 H new ATOM 0 HA3 GLY B 56 -4.894 -2.784 -6.559 1.00 0.00 H new ATOM 2231 N ILE B 57 -2.769 -3.658 -5.158 1.00 0.00 N ATOM 2232 CA ILE B 57 -1.784 -4.579 -4.611 1.00 0.00 C ATOM 2233 C ILE B 57 -2.328 -5.273 -3.363 1.00 0.00 C ATOM 2234 O ILE B 57 -2.799 -4.623 -2.426 1.00 0.00 O ATOM 2235 CB ILE B 57 -0.445 -3.865 -4.296 1.00 0.00 C ATOM 2236 CG1 ILE B 57 0.578 -4.865 -3.742 1.00 0.00 C ATOM 2237 CG2 ILE B 57 -0.652 -2.706 -3.321 1.00 0.00 C ATOM 2238 CD1 ILE B 57 1.958 -4.275 -3.555 1.00 0.00 C ATOM 0 H ILE B 57 -3.370 -3.221 -4.459 1.00 0.00 H new ATOM 0 HA ILE B 57 -1.585 -5.334 -5.371 1.00 0.00 H new ATOM 0 HB ILE B 57 -0.056 -3.451 -5.226 1.00 0.00 H new ATOM 0 HG12 ILE B 57 0.221 -5.245 -2.785 1.00 0.00 H new ATOM 0 HG13 ILE B 57 0.644 -5.717 -4.418 1.00 0.00 H new ATOM 0 HG21 ILE B 57 0.305 -2.225 -3.119 1.00 0.00 H new ATOM 0 HG22 ILE B 57 -1.338 -1.981 -3.759 1.00 0.00 H new ATOM 0 HG23 ILE B 57 -1.071 -3.085 -2.389 1.00 0.00 H new ATOM 0 HD11 ILE B 57 2.629 -5.038 -3.161 1.00 0.00 H new ATOM 0 HD12 ILE B 57 2.335 -3.920 -4.514 1.00 0.00 H new ATOM 0 HD13 ILE B 57 1.905 -3.441 -2.855 1.00 0.00 H new ATOM 2250 N THR B 58 -2.264 -6.597 -3.364 1.00 0.00 N ATOM 2251 CA THR B 58 -2.824 -7.399 -2.288 1.00 0.00 C ATOM 2252 C THR B 58 -1.822 -7.585 -1.144 1.00 0.00 C ATOM 2253 O THR B 58 -0.638 -7.866 -1.372 1.00 0.00 O ATOM 2254 CB THR B 58 -3.257 -8.774 -2.825 1.00 0.00 C ATOM 2255 OG1 THR B 58 -3.967 -8.604 -4.060 1.00 0.00 O ATOM 2256 CG2 THR B 58 -4.146 -9.500 -1.829 1.00 0.00 C ATOM 0 H THR B 58 -1.825 -7.142 -4.106 1.00 0.00 H new ATOM 0 HA THR B 58 -3.691 -6.868 -1.896 1.00 0.00 H new ATOM 0 HB THR B 58 -2.361 -9.374 -2.986 1.00 0.00 H new ATOM 0 HG1 THR B 58 -4.354 -7.704 -4.094 1.00 0.00 H new ATOM 0 HG21 THR B 58 -4.435 -10.468 -2.238 1.00 0.00 H new ATOM 0 HG22 THR B 58 -3.602 -9.648 -0.896 1.00 0.00 H new ATOM 0 HG23 THR B 58 -5.039 -8.905 -1.638 1.00 0.00 H new ATOM 2264 N LEU B 59 -2.305 -7.432 0.082 1.00 0.00 N ATOM 2265 CA LEU B 59 -1.477 -7.564 1.271 1.00 0.00 C ATOM 2266 C LEU B 59 -2.106 -8.547 2.256 1.00 0.00 C ATOM 2267 O LEU B 59 -3.326 -8.583 2.424 1.00 0.00 O ATOM 2268 CB LEU B 59 -1.304 -6.201 1.953 1.00 0.00 C ATOM 2269 CG LEU B 59 -0.678 -5.097 1.093 1.00 0.00 C ATOM 2270 CD1 LEU B 59 -0.677 -3.773 1.848 1.00 0.00 C ATOM 2271 CD2 LEU B 59 0.737 -5.473 0.686 1.00 0.00 C ATOM 0 H LEU B 59 -3.282 -7.213 0.279 1.00 0.00 H new ATOM 0 HA LEU B 59 -0.501 -7.941 0.965 1.00 0.00 H new ATOM 0 HB2 LEU B 59 -2.282 -5.860 2.293 1.00 0.00 H new ATOM 0 HB3 LEU B 59 -0.687 -6.337 2.841 1.00 0.00 H new ATOM 0 HG LEU B 59 -1.278 -4.984 0.190 1.00 0.00 H new ATOM 0 HD11 LEU B 59 -0.229 -2.999 1.225 1.00 0.00 H new ATOM 0 HD12 LEU B 59 -1.701 -3.494 2.094 1.00 0.00 H new ATOM 0 HD13 LEU B 59 -0.099 -3.878 2.766 1.00 0.00 H new ATOM 0 HD21 LEU B 59 1.164 -4.677 0.076 1.00 0.00 H new ATOM 0 HD22 LEU B 59 1.347 -5.614 1.578 1.00 0.00 H new ATOM 0 HD23 LEU B 59 0.716 -6.399 0.111 1.00 0.00 H new ATOM 2283 N SER B 60 -1.269 -9.354 2.883 1.00 0.00 N ATOM 2284 CA SER B 60 -1.711 -10.256 3.934 1.00 0.00 C ATOM 2285 C SER B 60 -1.584 -9.548 5.281 1.00 0.00 C ATOM 2286 O SER B 60 -0.866 -8.560 5.381 1.00 0.00 O ATOM 2287 CB SER B 60 -0.862 -11.528 3.922 1.00 0.00 C ATOM 2288 OG SER B 60 -0.688 -12.010 2.596 1.00 0.00 O ATOM 0 H SER B 60 -0.270 -9.404 2.681 1.00 0.00 H new ATOM 0 HA SER B 60 -2.751 -10.535 3.767 1.00 0.00 H new ATOM 0 HB2 SER B 60 0.111 -11.325 4.370 1.00 0.00 H new ATOM 0 HB3 SER B 60 -1.340 -12.295 4.532 1.00 0.00 H new ATOM 0 HG SER B 60 -0.051 -11.437 2.120 1.00 0.00 H new ATOM 2294 N ASN B 61 -2.261 -10.052 6.307 1.00 0.00 N ATOM 2295 CA ASN B 61 -2.258 -9.402 7.624 1.00 0.00 C ATOM 2296 C ASN B 61 -0.839 -9.229 8.181 1.00 0.00 C ATOM 2297 O ASN B 61 -0.528 -8.202 8.789 1.00 0.00 O ATOM 2298 CB ASN B 61 -3.134 -10.174 8.626 1.00 0.00 C ATOM 2299 CG ASN B 61 -2.609 -11.562 8.961 1.00 0.00 C ATOM 2300 OD1 ASN B 61 -2.007 -12.239 8.127 1.00 0.00 O ATOM 2301 ND2 ASN B 61 -2.836 -11.997 10.191 1.00 0.00 N ATOM 0 H ASN B 61 -2.818 -10.905 6.259 1.00 0.00 H new ATOM 0 HA ASN B 61 -2.681 -8.407 7.483 1.00 0.00 H new ATOM 0 HB2 ASN B 61 -3.214 -9.595 9.546 1.00 0.00 H new ATOM 0 HB3 ASN B 61 -4.141 -10.265 8.218 1.00 0.00 H new ATOM 0 HD21 ASN B 61 -2.508 -12.921 10.474 1.00 0.00 H new ATOM 0 HD22 ASN B 61 -3.338 -11.408 10.856 1.00 0.00 H new ATOM 2308 N GLU B 62 0.017 -10.220 7.960 1.00 0.00 N ATOM 2309 CA GLU B 62 1.407 -10.157 8.406 1.00 0.00 C ATOM 2310 C GLU B 62 2.124 -8.983 7.738 1.00 0.00 C ATOM 2311 O GLU B 62 2.746 -8.147 8.403 1.00 0.00 O ATOM 2312 CB GLU B 62 2.124 -11.467 8.064 1.00 0.00 C ATOM 2313 CG GLU B 62 3.490 -11.613 8.716 1.00 0.00 C ATOM 2314 CD GLU B 62 3.401 -11.741 10.223 1.00 0.00 C ATOM 2315 OE1 GLU B 62 3.095 -12.849 10.714 1.00 0.00 O ATOM 2316 OE2 GLU B 62 3.617 -10.731 10.925 1.00 0.00 O ATOM 0 H GLU B 62 -0.227 -11.082 7.472 1.00 0.00 H new ATOM 0 HA GLU B 62 1.423 -10.011 9.486 1.00 0.00 H new ATOM 0 HB2 GLU B 62 1.496 -12.304 8.370 1.00 0.00 H new ATOM 0 HB3 GLU B 62 2.240 -11.534 6.982 1.00 0.00 H new ATOM 0 HG2 GLU B 62 3.992 -12.491 8.309 1.00 0.00 H new ATOM 0 HG3 GLU B 62 4.104 -10.749 8.463 1.00 0.00 H new ATOM 2323 N GLU B 63 2.001 -8.919 6.419 1.00 0.00 N ATOM 2324 CA GLU B 63 2.640 -7.883 5.614 1.00 0.00 C ATOM 2325 C GLU B 63 2.013 -6.522 5.921 1.00 0.00 C ATOM 2326 O GLU B 63 2.691 -5.488 5.942 1.00 0.00 O ATOM 2327 CB GLU B 63 2.461 -8.228 4.134 1.00 0.00 C ATOM 2328 CG GLU B 63 2.690 -9.706 3.832 1.00 0.00 C ATOM 2329 CD GLU B 63 2.242 -10.108 2.439 1.00 0.00 C ATOM 2330 OE1 GLU B 63 1.167 -9.653 2.000 1.00 0.00 O ATOM 2331 OE2 GLU B 63 2.949 -10.891 1.775 1.00 0.00 O ATOM 0 H GLU B 63 1.454 -9.586 5.874 1.00 0.00 H new ATOM 0 HA GLU B 63 3.703 -7.833 5.851 1.00 0.00 H new ATOM 0 HB2 GLU B 63 1.454 -7.951 3.822 1.00 0.00 H new ATOM 0 HB3 GLU B 63 3.154 -7.631 3.541 1.00 0.00 H new ATOM 0 HG2 GLU B 63 3.750 -9.933 3.945 1.00 0.00 H new ATOM 0 HG3 GLU B 63 2.155 -10.307 4.567 1.00 0.00 H new ATOM 2338 N PHE B 64 0.714 -6.556 6.180 1.00 0.00 N ATOM 2339 CA PHE B 64 -0.071 -5.372 6.492 1.00 0.00 C ATOM 2340 C PHE B 64 0.480 -4.681 7.734 1.00 0.00 C ATOM 2341 O PHE B 64 0.739 -3.483 7.722 1.00 0.00 O ATOM 2342 CB PHE B 64 -1.528 -5.783 6.717 1.00 0.00 C ATOM 2343 CG PHE B 64 -2.537 -4.758 6.286 1.00 0.00 C ATOM 2344 CD1 PHE B 64 -2.644 -4.398 4.954 1.00 0.00 C ATOM 2345 CD2 PHE B 64 -3.391 -4.176 7.206 1.00 0.00 C ATOM 2346 CE1 PHE B 64 -3.581 -3.471 4.548 1.00 0.00 C ATOM 2347 CE2 PHE B 64 -4.332 -3.251 6.806 1.00 0.00 C ATOM 2348 CZ PHE B 64 -4.428 -2.899 5.473 1.00 0.00 C ATOM 0 H PHE B 64 0.169 -7.418 6.179 1.00 0.00 H new ATOM 0 HA PHE B 64 -0.014 -4.671 5.659 1.00 0.00 H new ATOM 0 HB2 PHE B 64 -1.718 -6.711 6.178 1.00 0.00 H new ATOM 0 HB3 PHE B 64 -1.673 -5.995 7.776 1.00 0.00 H new ATOM 0 HD1 PHE B 64 -1.987 -4.848 4.225 1.00 0.00 H new ATOM 0 HD2 PHE B 64 -3.320 -4.449 8.248 1.00 0.00 H new ATOM 0 HE1 PHE B 64 -3.651 -3.194 3.507 1.00 0.00 H new ATOM 0 HE2 PHE B 64 -4.993 -2.802 7.533 1.00 0.00 H new ATOM 0 HZ PHE B 64 -5.166 -2.177 5.156 1.00 0.00 H new ATOM 2358 N GLN B 65 0.676 -5.450 8.801 1.00 0.00 N ATOM 2359 CA GLN B 65 1.217 -4.903 10.042 1.00 0.00 C ATOM 2360 C GLN B 65 2.654 -4.434 9.845 1.00 0.00 C ATOM 2361 O GLN B 65 3.094 -3.476 10.480 1.00 0.00 O ATOM 2362 CB GLN B 65 1.141 -5.939 11.166 1.00 0.00 C ATOM 2363 CG GLN B 65 1.653 -5.439 12.510 1.00 0.00 C ATOM 2364 CD GLN B 65 0.992 -4.146 12.949 1.00 0.00 C ATOM 2365 OE1 GLN B 65 -0.136 -4.259 13.615 1.00 0.00 O flip ATOM 2366 NE2 GLN B 65 1.487 -3.055 12.680 1.00 0.00 N flip ATOM 0 H GLN B 65 0.470 -6.448 8.832 1.00 0.00 H new ATOM 0 HA GLN B 65 0.612 -4.042 10.325 1.00 0.00 H new ATOM 0 HB2 GLN B 65 0.105 -6.259 11.280 1.00 0.00 H new ATOM 0 HB3 GLN B 65 1.716 -6.818 10.875 1.00 0.00 H new ATOM 0 HG2 GLN B 65 1.481 -6.205 13.267 1.00 0.00 H new ATOM 0 HG3 GLN B 65 2.731 -5.288 12.449 1.00 0.00 H new ATOM 0 HE21 GLN B 65 2.364 -3.007 12.161 1.00 0.00 H new ATOM 0 HE22 GLN B 65 1.021 -2.197 12.975 1.00 0.00 H new ATOM 2375 N THR B 66 3.373 -5.095 8.947 1.00 0.00 N ATOM 2376 CA THR B 66 4.749 -4.724 8.653 1.00 0.00 C ATOM 2377 C THR B 66 4.837 -3.248 8.256 1.00 0.00 C ATOM 2378 O THR B 66 5.660 -2.498 8.789 1.00 0.00 O ATOM 2379 CB THR B 66 5.340 -5.603 7.531 1.00 0.00 C ATOM 2380 OG1 THR B 66 5.220 -6.993 7.881 1.00 0.00 O ATOM 2381 CG2 THR B 66 6.804 -5.268 7.289 1.00 0.00 C ATOM 0 H THR B 66 3.026 -5.890 8.411 1.00 0.00 H new ATOM 0 HA THR B 66 5.333 -4.885 9.559 1.00 0.00 H new ATOM 0 HB THR B 66 4.781 -5.404 6.617 1.00 0.00 H new ATOM 0 HG1 THR B 66 4.273 -7.244 7.903 1.00 0.00 H new ATOM 0 HG21 THR B 66 7.196 -5.902 6.494 1.00 0.00 H new ATOM 0 HG22 THR B 66 6.894 -4.222 6.997 1.00 0.00 H new ATOM 0 HG23 THR B 66 7.372 -5.440 8.203 1.00 0.00 H new ATOM 2389 N MET B 67 3.959 -2.823 7.349 1.00 0.00 N ATOM 2390 CA MET B 67 3.952 -1.430 6.909 1.00 0.00 C ATOM 2391 C MET B 67 3.412 -0.513 8.011 1.00 0.00 C ATOM 2392 O MET B 67 3.911 0.593 8.204 1.00 0.00 O ATOM 2393 CB MET B 67 3.130 -1.250 5.624 1.00 0.00 C ATOM 2394 CG MET B 67 1.629 -1.343 5.831 1.00 0.00 C ATOM 2395 SD MET B 67 0.683 -0.871 4.374 1.00 0.00 S ATOM 2396 CE MET B 67 -0.973 -0.889 5.055 1.00 0.00 C ATOM 0 H MET B 67 3.253 -3.414 6.910 1.00 0.00 H new ATOM 0 HA MET B 67 4.984 -1.152 6.694 1.00 0.00 H new ATOM 0 HB2 MET B 67 3.366 -0.280 5.187 1.00 0.00 H new ATOM 0 HB3 MET B 67 3.434 -2.008 4.902 1.00 0.00 H new ATOM 0 HG2 MET B 67 1.370 -2.364 6.110 1.00 0.00 H new ATOM 0 HG3 MET B 67 1.343 -0.702 6.665 1.00 0.00 H new ATOM 0 HE1 MET B 67 -1.689 -0.617 4.279 1.00 0.00 H new ATOM 0 HE2 MET B 67 -1.203 -1.888 5.427 1.00 0.00 H new ATOM 0 HE3 MET B 67 -1.037 -0.173 5.875 1.00 0.00 H new ATOM 2406 N VAL B 68 2.402 -0.985 8.746 1.00 0.00 N ATOM 2407 CA VAL B 68 1.772 -0.186 9.795 1.00 0.00 C ATOM 2408 C VAL B 68 2.799 0.233 10.848 1.00 0.00 C ATOM 2409 O VAL B 68 3.007 1.431 11.072 1.00 0.00 O ATOM 2410 CB VAL B 68 0.588 -0.944 10.447 1.00 0.00 C ATOM 2411 CG1 VAL B 68 -0.023 -0.167 11.614 1.00 0.00 C ATOM 2412 CG2 VAL B 68 -0.478 -1.217 9.399 1.00 0.00 C ATOM 0 H VAL B 68 2.004 -1.917 8.632 1.00 0.00 H new ATOM 0 HA VAL B 68 1.371 0.716 9.332 1.00 0.00 H new ATOM 0 HB VAL B 68 0.975 -1.882 10.845 1.00 0.00 H new ATOM 0 HG11 VAL B 68 -0.849 -0.738 12.039 1.00 0.00 H new ATOM 0 HG12 VAL B 68 0.736 -0.003 12.379 1.00 0.00 H new ATOM 0 HG13 VAL B 68 -0.392 0.794 11.257 1.00 0.00 H new ATOM 0 HG21 VAL B 68 -1.311 -1.750 9.857 1.00 0.00 H new ATOM 0 HG22 VAL B 68 -0.834 -0.273 8.988 1.00 0.00 H new ATOM 0 HG23 VAL B 68 -0.055 -1.824 8.599 1.00 0.00 H new ATOM 2422 N ASP B 69 3.460 -0.743 11.466 1.00 0.00 N ATOM 2423 CA ASP B 69 4.485 -0.467 12.482 1.00 0.00 C ATOM 2424 C ASP B 69 5.608 0.417 11.926 1.00 0.00 C ATOM 2425 O ASP B 69 5.998 1.414 12.551 1.00 0.00 O ATOM 2426 CB ASP B 69 5.072 -1.775 13.019 1.00 0.00 C ATOM 2427 CG ASP B 69 6.023 -1.558 14.184 1.00 0.00 C ATOM 2428 OD1 ASP B 69 5.541 -1.401 15.324 1.00 0.00 O ATOM 2429 OD2 ASP B 69 7.256 -1.558 13.972 1.00 0.00 O ATOM 0 H ASP B 69 3.307 -1.735 11.284 1.00 0.00 H new ATOM 0 HA ASP B 69 4.001 0.072 13.296 1.00 0.00 H new ATOM 0 HB2 ASP B 69 4.260 -2.430 13.336 1.00 0.00 H new ATOM 0 HB3 ASP B 69 5.600 -2.288 12.215 1.00 0.00 H new ATOM 2434 N ALA B 70 6.106 0.073 10.740 1.00 0.00 N ATOM 2435 CA ALA B 70 7.209 0.809 10.130 1.00 0.00 C ATOM 2436 C ALA B 70 6.855 2.279 9.932 1.00 0.00 C ATOM 2437 O ALA B 70 7.670 3.165 10.186 1.00 0.00 O ATOM 2438 CB ALA B 70 7.598 0.179 8.804 1.00 0.00 C ATOM 0 H ALA B 70 5.763 -0.710 10.184 1.00 0.00 H new ATOM 0 HA ALA B 70 8.059 0.757 10.810 1.00 0.00 H new ATOM 0 HB1 ALA B 70 8.422 0.740 8.362 1.00 0.00 H new ATOM 0 HB2 ALA B 70 7.909 -0.853 8.969 1.00 0.00 H new ATOM 0 HB3 ALA B 70 6.743 0.197 8.128 1.00 0.00 H new ATOM 2444 N PHE B 71 5.629 2.540 9.496 1.00 0.00 N ATOM 2445 CA PHE B 71 5.191 3.908 9.249 1.00 0.00 C ATOM 2446 C PHE B 71 4.881 4.650 10.547 1.00 0.00 C ATOM 2447 O PHE B 71 4.764 5.872 10.545 1.00 0.00 O ATOM 2448 CB PHE B 71 3.986 3.932 8.309 1.00 0.00 C ATOM 2449 CG PHE B 71 4.311 3.453 6.924 1.00 0.00 C ATOM 2450 CD1 PHE B 71 5.584 3.622 6.402 1.00 0.00 C ATOM 2451 CD2 PHE B 71 3.349 2.834 6.146 1.00 0.00 C ATOM 2452 CE1 PHE B 71 5.891 3.180 5.133 1.00 0.00 C ATOM 2453 CE2 PHE B 71 3.651 2.390 4.875 1.00 0.00 C ATOM 2454 CZ PHE B 71 4.922 2.563 4.368 1.00 0.00 C ATOM 0 H PHE B 71 4.924 1.827 9.307 1.00 0.00 H new ATOM 0 HA PHE B 71 6.017 4.430 8.766 1.00 0.00 H new ATOM 0 HB2 PHE B 71 3.195 3.309 8.726 1.00 0.00 H new ATOM 0 HB3 PHE B 71 3.596 4.948 8.254 1.00 0.00 H new ATOM 0 HD1 PHE B 71 6.345 4.106 6.997 1.00 0.00 H new ATOM 0 HD2 PHE B 71 2.352 2.697 6.537 1.00 0.00 H new ATOM 0 HE1 PHE B 71 6.887 3.316 4.738 1.00 0.00 H new ATOM 0 HE2 PHE B 71 2.892 1.907 4.277 1.00 0.00 H new ATOM 0 HZ PHE B 71 5.159 2.216 3.373 1.00 0.00 H new ATOM 2464 N LYS B 72 4.743 3.915 11.649 1.00 0.00 N ATOM 2465 CA LYS B 72 4.633 4.542 12.968 1.00 0.00 C ATOM 2466 C LYS B 72 5.982 5.119 13.362 1.00 0.00 C ATOM 2467 O LYS B 72 6.068 6.128 14.061 1.00 0.00 O ATOM 2468 CB LYS B 72 4.192 3.528 14.027 1.00 0.00 C ATOM 2469 CG LYS B 72 2.894 2.831 13.690 1.00 0.00 C ATOM 2470 CD LYS B 72 1.755 3.822 13.568 1.00 0.00 C ATOM 2471 CE LYS B 72 0.653 3.281 12.683 1.00 0.00 C ATOM 2472 NZ LYS B 72 1.052 3.267 11.253 1.00 0.00 N ATOM 0 H LYS B 72 4.705 2.896 11.658 1.00 0.00 H new ATOM 0 HA LYS B 72 3.883 5.331 12.912 1.00 0.00 H new ATOM 0 HB2 LYS B 72 4.975 2.780 14.151 1.00 0.00 H new ATOM 0 HB3 LYS B 72 4.084 4.038 14.984 1.00 0.00 H new ATOM 0 HG2 LYS B 72 3.005 2.283 12.754 1.00 0.00 H new ATOM 0 HG3 LYS B 72 2.661 2.098 14.462 1.00 0.00 H new ATOM 0 HD2 LYS B 72 1.355 4.044 14.557 1.00 0.00 H new ATOM 0 HD3 LYS B 72 2.128 4.760 13.157 1.00 0.00 H new ATOM 0 HE2 LYS B 72 0.396 2.270 12.999 1.00 0.00 H new ATOM 0 HE3 LYS B 72 -0.243 3.890 12.805 1.00 0.00 H new ATOM 0 HZ1 LYS B 72 0.201 3.274 10.655 1.00 0.00 H new ATOM 0 HZ2 LYS B 72 1.628 4.107 11.045 1.00 0.00 H new ATOM 0 HZ3 LYS B 72 1.607 2.410 11.056 1.00 0.00 H new ATOM 2486 N GLY B 73 7.032 4.448 12.911 1.00 0.00 N ATOM 2487 CA GLY B 73 8.380 4.887 13.213 1.00 0.00 C ATOM 2488 C GLY B 73 8.912 5.900 12.220 1.00 0.00 C ATOM 2489 O GLY B 73 9.561 6.872 12.607 1.00 0.00 O ATOM 0 H GLY B 73 6.975 3.605 12.340 1.00 0.00 H new ATOM 0 HA2 GLY B 73 8.399 5.322 14.212 1.00 0.00 H new ATOM 0 HA3 GLY B 73 9.042 4.021 13.230 1.00 0.00 H new ATOM 2493 N ASN B 74 8.643 5.681 10.939 1.00 0.00 N ATOM 2494 CA ASN B 74 9.172 6.551 9.892 1.00 0.00 C ATOM 2495 C ASN B 74 8.424 7.880 9.838 1.00 0.00 C ATOM 2496 O ASN B 74 9.016 8.938 10.039 1.00 0.00 O ATOM 2497 CB ASN B 74 9.115 5.862 8.526 1.00 0.00 C ATOM 2498 CG ASN B 74 9.810 6.668 7.442 1.00 0.00 C ATOM 2499 OD1 ASN B 74 9.191 7.478 6.755 1.00 0.00 O ATOM 2500 ND2 ASN B 74 11.110 6.460 7.293 1.00 0.00 N ATOM 0 H ASN B 74 8.065 4.913 10.599 1.00 0.00 H new ATOM 0 HA ASN B 74 10.214 6.756 10.139 1.00 0.00 H new ATOM 0 HB2 ASN B 74 9.580 4.879 8.598 1.00 0.00 H new ATOM 0 HB3 ASN B 74 8.074 5.703 8.246 1.00 0.00 H new ATOM 0 HD21 ASN B 74 11.632 6.981 6.589 1.00 0.00 H new ATOM 0 HD22 ASN B 74 11.588 5.779 7.883 1.00 0.00 H new ATOM 2507 N LEU B 75 7.125 7.833 9.570 1.00 0.00 N ATOM 2508 CA LEU B 75 6.331 9.051 9.481 1.00 0.00 C ATOM 2509 C LEU B 75 5.786 9.425 10.850 1.00 0.00 C ATOM 2510 O LEU B 75 5.763 8.589 11.753 1.00 0.00 O ATOM 2511 CB LEU B 75 5.172 8.904 8.490 1.00 0.00 C ATOM 2512 CG LEU B 75 5.569 8.677 7.031 1.00 0.00 C ATOM 2513 CD1 LEU B 75 5.785 7.197 6.756 1.00 0.00 C ATOM 2514 CD2 LEU B 75 4.515 9.249 6.095 1.00 0.00 C ATOM 0 H LEU B 75 6.602 6.971 9.412 1.00 0.00 H new ATOM 0 HA LEU B 75 6.988 9.842 9.118 1.00 0.00 H new ATOM 0 HB2 LEU B 75 4.548 8.070 8.811 1.00 0.00 H new ATOM 0 HB3 LEU B 75 4.557 9.802 8.544 1.00 0.00 H new ATOM 0 HG LEU B 75 6.509 9.197 6.848 1.00 0.00 H new ATOM 0 HD11 LEU B 75 6.067 7.058 5.712 1.00 0.00 H new ATOM 0 HD12 LEU B 75 6.580 6.820 7.400 1.00 0.00 H new ATOM 0 HD13 LEU B 75 4.864 6.651 6.959 1.00 0.00 H new ATOM 0 HD21 LEU B 75 4.815 9.078 5.061 1.00 0.00 H new ATOM 0 HD22 LEU B 75 3.559 8.760 6.281 1.00 0.00 H new ATOM 0 HD23 LEU B 75 4.415 10.320 6.271 1.00 0.00 H new ATOM 2526 N GLU B 76 5.353 10.682 10.986 1.00 0.00 N ATOM 2527 CA GLU B 76 4.863 11.228 12.258 1.00 0.00 C ATOM 2528 C GLU B 76 6.018 11.368 13.247 1.00 0.00 C ATOM 2529 O GLU B 76 6.438 12.477 13.574 1.00 0.00 O ATOM 2530 CB GLU B 76 3.752 10.354 12.859 1.00 0.00 C ATOM 2531 CG GLU B 76 3.103 10.964 14.090 1.00 0.00 C ATOM 2532 CD GLU B 76 2.247 9.980 14.855 1.00 0.00 C ATOM 2533 OE1 GLU B 76 1.292 9.430 14.274 1.00 0.00 O ATOM 2534 OE2 GLU B 76 2.507 9.774 16.057 1.00 0.00 O ATOM 0 H GLU B 76 5.332 11.352 10.217 1.00 0.00 H new ATOM 0 HA GLU B 76 4.438 12.212 12.058 1.00 0.00 H new ATOM 0 HB2 GLU B 76 2.987 10.181 12.102 1.00 0.00 H new ATOM 0 HB3 GLU B 76 4.167 9.381 13.121 1.00 0.00 H new ATOM 0 HG2 GLU B 76 3.880 11.351 14.750 1.00 0.00 H new ATOM 0 HG3 GLU B 76 2.489 11.813 13.788 1.00 0.00 H new ATOM 2541 N HIS B 77 6.551 10.229 13.670 1.00 0.00 N ATOM 2542 CA HIS B 77 7.666 10.155 14.614 1.00 0.00 C ATOM 2543 C HIS B 77 8.839 11.036 14.172 1.00 0.00 C ATOM 2544 O HIS B 77 9.598 11.538 14.998 1.00 0.00 O ATOM 2545 CB HIS B 77 8.108 8.690 14.721 1.00 0.00 C ATOM 2546 CG HIS B 77 9.288 8.433 15.612 1.00 0.00 C ATOM 2547 ND1 HIS B 77 9.175 7.877 16.865 1.00 0.00 N ATOM 2548 CD2 HIS B 77 10.612 8.618 15.407 1.00 0.00 C ATOM 2549 CE1 HIS B 77 10.375 7.733 17.390 1.00 0.00 C ATOM 2550 NE2 HIS B 77 11.267 8.175 16.524 1.00 0.00 N ATOM 0 H HIS B 77 6.218 9.315 13.364 1.00 0.00 H new ATOM 0 HA HIS B 77 7.338 10.525 15.585 1.00 0.00 H new ATOM 0 HB2 HIS B 77 7.266 8.101 15.084 1.00 0.00 H new ATOM 0 HB3 HIS B 77 8.344 8.326 13.721 1.00 0.00 H new ATOM 0 HD2 HIS B 77 11.069 9.038 14.523 1.00 0.00 H new ATOM 0 HE1 HIS B 77 10.592 7.322 18.365 1.00 0.00 H new ATOM 0 HE2 HIS B 77 12.277 8.185 16.664 1.00 0.00 H new ATOM 2559 N HIS B 78 8.964 11.231 12.866 1.00 0.00 N ATOM 2560 CA HIS B 78 10.088 11.964 12.294 1.00 0.00 C ATOM 2561 C HIS B 78 9.989 13.476 12.534 1.00 0.00 C ATOM 2562 O HIS B 78 11.010 14.147 12.658 1.00 0.00 O ATOM 2563 CB HIS B 78 10.173 11.679 10.788 1.00 0.00 C ATOM 2564 CG HIS B 78 11.328 12.342 10.096 1.00 0.00 C ATOM 2565 ND1 HIS B 78 11.165 13.315 9.137 1.00 0.00 N ATOM 2566 CD2 HIS B 78 12.663 12.155 10.218 1.00 0.00 C ATOM 2567 CE1 HIS B 78 12.348 13.700 8.696 1.00 0.00 C ATOM 2568 NE2 HIS B 78 13.275 13.011 9.336 1.00 0.00 N ATOM 0 H HIS B 78 8.295 10.889 12.177 1.00 0.00 H new ATOM 0 HA HIS B 78 10.992 11.619 12.796 1.00 0.00 H new ATOM 0 HB2 HIS B 78 10.245 10.602 10.638 1.00 0.00 H new ATOM 0 HB3 HIS B 78 9.246 12.005 10.316 1.00 0.00 H new ATOM 0 HD2 HIS B 78 13.155 11.462 10.885 1.00 0.00 H new ATOM 0 HE1 HIS B 78 12.527 14.451 7.940 1.00 0.00 H new ATOM 0 HE2 HIS B 78 14.282 13.100 9.198 1.00 0.00 H new ATOM 2577 N HIS B 79 8.775 14.015 12.612 1.00 0.00 N ATOM 2578 CA HIS B 79 8.614 15.474 12.631 1.00 0.00 C ATOM 2579 C HIS B 79 7.600 15.945 13.680 1.00 0.00 C ATOM 2580 O HIS B 79 7.412 17.145 13.864 1.00 0.00 O ATOM 2581 CB HIS B 79 8.189 15.953 11.233 1.00 0.00 C ATOM 2582 CG HIS B 79 8.147 17.443 11.074 1.00 0.00 C ATOM 2583 ND1 HIS B 79 6.976 18.148 10.905 1.00 0.00 N ATOM 2584 CD2 HIS B 79 9.141 18.362 11.053 1.00 0.00 C ATOM 2585 CE1 HIS B 79 7.251 19.432 10.789 1.00 0.00 C ATOM 2586 NE2 HIS B 79 8.555 19.588 10.875 1.00 0.00 N ATOM 0 H HIS B 79 7.906 13.483 12.662 1.00 0.00 H new ATOM 0 HA HIS B 79 9.575 15.909 12.907 1.00 0.00 H new ATOM 0 HB2 HIS B 79 8.878 15.541 10.496 1.00 0.00 H new ATOM 0 HB3 HIS B 79 7.202 15.548 11.008 1.00 0.00 H new ATOM 0 HD2 HIS B 79 10.198 18.166 11.157 1.00 0.00 H new ATOM 0 HE1 HIS B 79 6.529 20.222 10.647 1.00 0.00 H new ATOM 0 HE2 HIS B 79 9.050 20.478 10.818 1.00 0.00 H new ATOM 2595 N HIS B 80 6.970 15.013 14.381 1.00 0.00 N ATOM 2596 CA HIS B 80 5.881 15.359 15.295 1.00 0.00 C ATOM 2597 C HIS B 80 6.372 16.237 16.444 1.00 0.00 C ATOM 2598 O HIS B 80 5.711 17.208 16.807 1.00 0.00 O ATOM 2599 CB HIS B 80 5.221 14.094 15.848 1.00 0.00 C ATOM 2600 CG HIS B 80 3.896 14.348 16.497 1.00 0.00 C ATOM 2601 ND1 HIS B 80 2.717 14.389 15.787 1.00 0.00 N ATOM 2602 CD2 HIS B 80 3.564 14.583 17.788 1.00 0.00 C ATOM 2603 CE1 HIS B 80 1.717 14.640 16.611 1.00 0.00 C ATOM 2604 NE2 HIS B 80 2.203 14.761 17.830 1.00 0.00 N ATOM 0 H HIS B 80 7.189 14.018 14.338 1.00 0.00 H new ATOM 0 HA HIS B 80 5.144 15.926 14.727 1.00 0.00 H new ATOM 0 HB2 HIS B 80 5.088 13.378 15.037 1.00 0.00 H new ATOM 0 HB3 HIS B 80 5.890 13.632 16.574 1.00 0.00 H new ATOM 0 HD2 HIS B 80 4.242 14.623 18.628 1.00 0.00 H new ATOM 0 HE1 HIS B 80 0.677 14.731 16.333 1.00 0.00 H new ATOM 0 HE2 HIS B 80 1.657 14.955 18.669 1.00 0.00 H new ATOM 2613 N HIS B 81 7.535 15.894 16.993 1.00 0.00 N ATOM 2614 CA HIS B 81 8.106 16.594 18.149 1.00 0.00 C ATOM 2615 C HIS B 81 7.168 16.538 19.354 1.00 0.00 C ATOM 2616 O HIS B 81 7.134 15.544 20.081 1.00 0.00 O ATOM 2617 CB HIS B 81 8.449 18.054 17.820 1.00 0.00 C ATOM 2618 CG HIS B 81 9.651 18.220 16.946 1.00 0.00 C ATOM 2619 ND1 HIS B 81 10.938 18.071 17.409 1.00 0.00 N ATOM 2620 CD2 HIS B 81 9.761 18.540 15.635 1.00 0.00 C ATOM 2621 CE1 HIS B 81 11.785 18.291 16.424 1.00 0.00 C ATOM 2622 NE2 HIS B 81 11.101 18.579 15.335 1.00 0.00 N ATOM 0 H HIS B 81 8.110 15.124 16.652 1.00 0.00 H new ATOM 0 HA HIS B 81 9.031 16.076 18.402 1.00 0.00 H new ATOM 0 HB2 HIS B 81 7.591 18.515 17.330 1.00 0.00 H new ATOM 0 HB3 HIS B 81 8.614 18.595 18.752 1.00 0.00 H new ATOM 0 HD2 HIS B 81 8.946 18.729 14.952 1.00 0.00 H new ATOM 0 HE1 HIS B 81 12.861 18.243 16.497 1.00 0.00 H new ATOM 0 HE2 HIS B 81 11.500 18.795 14.421 1.00 0.00 H new ATOM 2631 N HIS B 82 6.390 17.598 19.542 1.00 0.00 N ATOM 2632 CA HIS B 82 5.474 17.697 20.668 1.00 0.00 C ATOM 2633 C HIS B 82 4.540 18.884 20.468 1.00 0.00 C ATOM 2634 O HIS B 82 4.760 19.936 21.101 1.00 0.00 O ATOM 2635 CB HIS B 82 6.254 17.844 21.986 1.00 0.00 C ATOM 2636 CG HIS B 82 5.392 17.851 23.216 1.00 0.00 C ATOM 2637 ND1 HIS B 82 5.479 18.825 24.185 1.00 0.00 N ATOM 2638 CD2 HIS B 82 4.434 16.991 23.635 1.00 0.00 C ATOM 2639 CE1 HIS B 82 4.612 18.564 25.148 1.00 0.00 C ATOM 2640 NE2 HIS B 82 3.964 17.457 24.837 1.00 0.00 N ATOM 2641 OXT HIS B 82 3.608 18.771 19.645 1.00 0.00 O ATOM 0 H HIS B 82 6.377 18.407 18.921 1.00 0.00 H new ATOM 0 HA HIS B 82 4.881 16.784 20.723 1.00 0.00 H new ATOM 0 HB2 HIS B 82 6.971 17.027 22.064 1.00 0.00 H new ATOM 0 HB3 HIS B 82 6.828 18.770 21.954 1.00 0.00 H new ATOM 0 HD2 HIS B 82 4.101 16.103 23.119 1.00 0.00 H new ATOM 0 HE1 HIS B 82 4.460 19.156 26.038 1.00 0.00 H new ATOM 0 HE2 HIS B 82 3.233 17.019 25.398 1.00 0.00 H new TER 2650 HIS B 82