USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 728 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: D 71 THR OG1 : rot 138:sc= 0.91 USER MOD Set 1.2: D 74 ASN : amide:sc= 0.739 K(o=1.6,f=-2.9!) USER MOD Set 2.1: D 53 ASN : amide:sc= -2.38! K(o=-4.5!,f=-1.9) USER MOD Set 2.2: D 67 ASN : amide:sc= -2.07! C(o=-4.5!,f=-5.7!) USER MOD Set 3.1: D 17 ASN : amide:sc= -4.7! K(o=-4.4!,f=-1) USER MOD Set 3.2: D 28 SER OG : rot 28:sc= 0.259 USER MOD Set 4.1: D 21 ASN : amide:sc= -3.08! C(o=-5.3!,f=-7.4!) USER MOD Set 4.2: D 26 LYS NZ :NH3+ -129:sc= -2.19! (180deg=-4.92!) USER MOD Single : D 1 ASP N :NH3+ -179:sc= 0.267 (180deg=0.251) USER MOD Single : D 2 ASN : amide:sc= -0.711 K(o=-0.71,f=-4.6!) USER MOD Single : D 3 GLN : amide:sc= -0.869 K(o=-0.87,f=-3!) USER MOD Single : D 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 9 GLN : amide:sc= -4.83! C(o=-4.8!,f=-5.4!) USER MOD Single : D 10 MET CE :methyl -161:sc= -0.101 (180deg=-0.596) USER MOD Single : D 11 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : D 12 SER OG : rot 180:sc= 0 USER MOD Single : D 14 ASN : amide:sc= -2.13! K(o=-2.1!,f=-0.012) USER MOD Single : D 15 SER OG : rot -52:sc= 1.16 USER MOD Single : D 19 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0345) USER MOD Single : D 22 LYS NZ :NH3+ -165:sc= 1.23 (180deg=1.13) USER MOD Single : D 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 30 SER OG : rot 180:sc= 0 USER MOD Single : D 31 MET CE :methyl -162:sc= -0.115 (180deg=-0.593) USER MOD Single : D 32 ASN : amide:sc= 0 X(o=0,f=-0.00036) USER MOD Single : D 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : D 35 GLN : amide:sc= -1.47 K(o=-1.5,f=-3!) USER MOD Single : D 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 39 THR OG1 : rot 180:sc= -2.02! USER MOD Single : D 40 SER OG : rot 152:sc= -1.42 USER MOD Single : D 41 SER OG : rot 180:sc= 0 USER MOD Single : D 42 ASN : amide:sc= -0.0159 X(o=-0.016,f=-0.027) USER MOD Single : D 45 TYR OH : rot 180:sc= 0 USER MOD Single : D 48 SER OG : rot 180:sc= 0.287 USER MOD Single : D 49 TYR OH : rot 180:sc= 0 USER MOD Single : D 52 LYS NZ :NH3+ 172:sc= -0.0102 (180deg=-0.105) USER MOD Single : D 59 ASN : amide:sc= -4.08! K(o=-4.1!,f=-1.3) USER MOD Single : D 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 64 TYR OH : rot 130:sc= 0 USER MOD Single : D 65 THR OG1 : rot 180:sc= 0 USER MOD Single : D 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 70 SER OG : rot 130:sc= -1.17 USER MOD Single : D 76 SER OG : rot 180:sc= 0 USER MOD Single : D 77 ASN : amide:sc= -3! K(o=-3!,f=-0.14) USER MOD Single : D 80 ASN : amide:sc= -0.219 K(o=-0.22,f=0.44) USER MOD Single : D 81 LYS NZ :NH3+ -134:sc= 0.0157 (180deg=0) USER MOD Single : D 83 ASN : amide:sc= -3.49! C(o=-3.5!,f=-6.2!) USER MOD Single : D 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 88 TYR OH : rot 180:sc= 0 USER MOD Single : D 92 LYS NZ :NH3+ -164:sc= 1.01 (180deg=0.711) USER MOD Single : D 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP D 1 20.215 15.394 -0.738 1.00 0.00 N ATOM 2 CA ASP D 1 18.740 15.303 -0.590 1.00 0.00 C ATOM 3 C ASP D 1 18.269 13.864 -0.737 1.00 0.00 C ATOM 4 O ASP D 1 18.556 13.018 0.110 1.00 0.00 O ATOM 5 CB ASP D 1 18.069 16.189 -1.647 1.00 0.00 C ATOM 6 CG ASP D 1 18.410 17.651 -1.490 1.00 0.00 C ATOM 7 OD1 ASP D 1 17.933 18.458 -2.307 1.00 0.00 O ATOM 8 OD2 ASP D 1 19.149 17.998 -0.551 1.00 0.00 O1- ATOM 0 H1 ASP D 1 20.516 16.382 -0.617 1.00 0.00 H new ATOM 0 H2 ASP D 1 20.673 14.802 -0.016 1.00 0.00 H new ATOM 0 H3 ASP D 1 20.490 15.062 -1.684 1.00 0.00 H new ATOM 0 HA ASP D 1 18.463 15.648 0.406 1.00 0.00 H new ATOM 0 HB2 ASP D 1 18.372 15.855 -2.639 1.00 0.00 H new ATOM 0 HB3 ASP D 1 16.988 16.065 -1.585 1.00 0.00 H new ATOM 13 N ASN D 2 17.571 13.579 -1.832 1.00 0.00 N ATOM 14 CA ASN D 2 17.090 12.230 -2.100 1.00 0.00 C ATOM 15 C ASN D 2 17.679 11.670 -3.384 1.00 0.00 C ATOM 16 O ASN D 2 16.959 11.123 -4.217 1.00 0.00 O ATOM 17 CB ASN D 2 15.564 12.189 -2.169 1.00 0.00 C ATOM 18 CG ASN D 2 14.918 12.425 -0.823 1.00 0.00 C ATOM 19 OD1 ASN D 2 15.136 11.664 0.120 1.00 0.00 O ATOM 20 ND2 ASN D 2 14.124 13.478 -0.722 1.00 0.00 N ATOM 0 H ASN D 2 17.327 14.264 -2.547 1.00 0.00 H new ATOM 0 HA ASN D 2 17.420 11.606 -1.269 1.00 0.00 H new ATOM 0 HB2 ASN D 2 15.215 12.944 -2.874 1.00 0.00 H new ATOM 0 HB3 ASN D 2 15.247 11.221 -2.556 1.00 0.00 H new ATOM 0 HD21 ASN D 2 13.664 13.686 0.164 1.00 0.00 H new ATOM 0 HD22 ASN D 2 13.972 14.082 -1.530 1.00 0.00 H new ATOM 27 N GLN D 3 19.001 11.679 -3.480 1.00 0.00 N ATOM 28 CA GLN D 3 19.673 11.031 -4.598 1.00 0.00 C ATOM 29 C GLN D 3 19.806 9.540 -4.319 1.00 0.00 C ATOM 30 O GLN D 3 20.042 8.739 -5.223 1.00 0.00 O ATOM 31 CB GLN D 3 21.051 11.651 -4.845 1.00 0.00 C ATOM 32 CG GLN D 3 21.011 13.138 -5.171 1.00 0.00 C ATOM 33 CD GLN D 3 20.206 13.452 -6.420 1.00 0.00 C ATOM 34 OE1 GLN D 3 18.998 13.207 -6.475 1.00 0.00 O ATOM 35 NE2 GLN D 3 20.872 13.985 -7.432 1.00 0.00 N ATOM 0 H GLN D 3 19.624 12.123 -2.805 1.00 0.00 H new ATOM 0 HA GLN D 3 19.074 11.178 -5.497 1.00 0.00 H new ATOM 0 HB2 GLN D 3 21.670 11.500 -3.961 1.00 0.00 H new ATOM 0 HB3 GLN D 3 21.534 11.122 -5.667 1.00 0.00 H new ATOM 0 HG2 GLN D 3 20.584 13.678 -4.326 1.00 0.00 H new ATOM 0 HG3 GLN D 3 22.030 13.503 -5.301 1.00 0.00 H new ATOM 0 HE21 GLN D 3 21.871 14.171 -7.344 1.00 0.00 H new ATOM 0 HE22 GLN D 3 20.386 14.210 -8.300 1.00 0.00 H new ATOM 44 N LYS D 4 19.592 9.179 -3.060 1.00 0.00 N ATOM 45 CA LYS D 4 19.617 7.791 -2.631 1.00 0.00 C ATOM 46 C LYS D 4 18.193 7.318 -2.328 1.00 0.00 C ATOM 47 O LYS D 4 17.955 6.130 -2.092 1.00 0.00 O ATOM 48 CB LYS D 4 20.489 7.662 -1.377 1.00 0.00 C ATOM 49 CG LYS D 4 20.637 6.240 -0.857 1.00 0.00 C ATOM 50 CD LYS D 4 21.390 6.206 0.462 1.00 0.00 C ATOM 51 CE LYS D 4 22.791 6.783 0.333 1.00 0.00 C ATOM 52 NZ LYS D 4 23.515 6.751 1.630 1.00 0.00 N1+ ATOM 0 H LYS D 4 19.397 9.842 -2.310 1.00 0.00 H new ATOM 0 HA LYS D 4 20.034 7.172 -3.425 1.00 0.00 H new ATOM 0 HB2 LYS D 4 21.480 8.061 -1.596 1.00 0.00 H new ATOM 0 HB3 LYS D 4 20.063 8.282 -0.588 1.00 0.00 H new ATOM 0 HG2 LYS D 4 19.651 5.795 -0.726 1.00 0.00 H new ATOM 0 HG3 LYS D 4 21.165 5.635 -1.594 1.00 0.00 H new ATOM 0 HD2 LYS D 4 20.834 6.769 1.212 1.00 0.00 H new ATOM 0 HD3 LYS D 4 21.453 5.177 0.817 1.00 0.00 H new ATOM 0 HE2 LYS D 4 23.351 6.218 -0.412 1.00 0.00 H new ATOM 0 HE3 LYS D 4 22.731 7.810 -0.026 1.00 0.00 H new ATOM 0 HZ1 LYS D 4 24.467 7.152 1.506 1.00 0.00 H new ATOM 0 HZ2 LYS D 4 22.992 7.311 2.333 1.00 0.00 H new ATOM 0 HZ3 LYS D 4 23.594 5.768 1.960 1.00 0.00 H new ATOM 66 N ALA D 5 17.275 8.288 -2.237 1.00 0.00 N ATOM 67 CA ALA D 5 15.889 8.035 -1.844 1.00 0.00 C ATOM 68 C ALA D 5 15.833 7.546 -0.403 1.00 0.00 C ATOM 69 O ALA D 5 15.457 6.405 -0.133 1.00 0.00 O ATOM 70 CB ALA D 5 15.216 7.037 -2.780 1.00 0.00 C ATOM 0 H ALA D 5 17.475 9.269 -2.434 1.00 0.00 H new ATOM 0 HA ALA D 5 15.340 8.974 -1.919 1.00 0.00 H new ATOM 0 HB1 ALA D 5 14.188 6.873 -2.458 1.00 0.00 H new ATOM 0 HB2 ALA D 5 15.220 7.432 -3.796 1.00 0.00 H new ATOM 0 HB3 ALA D 5 15.759 6.092 -2.756 1.00 0.00 H new ATOM 76 N LEU D 6 16.305 8.387 0.509 1.00 0.00 N ATOM 77 CA LEU D 6 16.410 8.022 1.917 1.00 0.00 C ATOM 78 C LEU D 6 15.024 8.012 2.564 1.00 0.00 C ATOM 79 O LEU D 6 14.787 7.290 3.521 1.00 0.00 O ATOM 80 CB LEU D 6 17.373 9.004 2.623 1.00 0.00 C ATOM 81 CG LEU D 6 17.827 8.652 4.054 1.00 0.00 C ATOM 82 CD1 LEU D 6 18.986 9.544 4.458 1.00 0.00 C ATOM 83 CD2 LEU D 6 16.710 8.820 5.068 1.00 0.00 C ATOM 0 H LEU D 6 16.623 9.333 0.297 1.00 0.00 H new ATOM 0 HA LEU D 6 16.817 7.016 2.015 1.00 0.00 H new ATOM 0 HB2 LEU D 6 18.264 9.105 2.003 1.00 0.00 H new ATOM 0 HB3 LEU D 6 16.893 9.982 2.654 1.00 0.00 H new ATOM 0 HG LEU D 6 18.128 7.604 4.047 1.00 0.00 H new ATOM 0 HD11 LEU D 6 19.304 9.292 5.470 1.00 0.00 H new ATOM 0 HD12 LEU D 6 19.817 9.395 3.769 1.00 0.00 H new ATOM 0 HD13 LEU D 6 18.671 10.587 4.426 1.00 0.00 H new ATOM 0 HD21 LEU D 6 17.078 8.560 6.061 1.00 0.00 H new ATOM 0 HD22 LEU D 6 16.370 9.856 5.066 1.00 0.00 H new ATOM 0 HD23 LEU D 6 15.879 8.165 4.806 1.00 0.00 H new ATOM 95 N GLU D 7 14.104 8.803 2.023 1.00 0.00 N ATOM 96 CA GLU D 7 12.737 8.880 2.548 1.00 0.00 C ATOM 97 C GLU D 7 11.966 7.556 2.444 1.00 0.00 C ATOM 98 O GLU D 7 10.779 7.519 2.767 1.00 0.00 O ATOM 99 CB GLU D 7 11.946 9.976 1.835 1.00 0.00 C ATOM 100 CG GLU D 7 12.503 11.373 2.038 1.00 0.00 C ATOM 101 CD GLU D 7 11.662 12.435 1.369 1.00 0.00 C ATOM 102 OE1 GLU D 7 12.012 13.623 1.482 1.00 0.00 O ATOM 103 OE2 GLU D 7 10.647 12.082 0.734 1.00 0.00 O1- ATOM 0 H GLU D 7 14.277 9.404 1.217 1.00 0.00 H new ATOM 0 HA GLU D 7 12.841 9.114 3.607 1.00 0.00 H new ATOM 0 HB2 GLU D 7 11.923 9.757 0.767 1.00 0.00 H new ATOM 0 HB3 GLU D 7 10.915 9.953 2.187 1.00 0.00 H new ATOM 0 HG2 GLU D 7 12.566 11.584 3.106 1.00 0.00 H new ATOM 0 HG3 GLU D 7 13.518 11.417 1.644 1.00 0.00 H new ATOM 110 N GLU D 8 12.603 6.505 1.930 1.00 0.00 N ATOM 111 CA GLU D 8 11.927 5.227 1.712 1.00 0.00 C ATOM 112 C GLU D 8 11.262 4.690 2.988 1.00 0.00 C ATOM 113 O GLU D 8 10.066 4.425 2.993 1.00 0.00 O ATOM 114 CB GLU D 8 12.904 4.202 1.123 1.00 0.00 C ATOM 115 CG GLU D 8 14.163 3.994 1.947 1.00 0.00 C ATOM 116 CD GLU D 8 15.097 2.982 1.333 1.00 0.00 C ATOM 117 OE1 GLU D 8 15.578 3.221 0.209 1.00 0.00 O ATOM 118 OE2 GLU D 8 15.340 1.939 1.965 1.00 0.00 O1- ATOM 0 H GLU D 8 13.586 6.513 1.657 1.00 0.00 H new ATOM 0 HA GLU D 8 11.125 5.400 0.995 1.00 0.00 H new ATOM 0 HB2 GLU D 8 12.390 3.246 1.018 1.00 0.00 H new ATOM 0 HB3 GLU D 8 13.188 4.523 0.121 1.00 0.00 H new ATOM 0 HG2 GLU D 8 14.684 4.945 2.054 1.00 0.00 H new ATOM 0 HG3 GLU D 8 13.887 3.667 2.949 1.00 0.00 H new ATOM 125 N GLN D 9 11.995 4.623 4.090 1.00 0.00 N ATOM 126 CA GLN D 9 11.390 4.218 5.361 1.00 0.00 C ATOM 127 C GLN D 9 11.021 5.444 6.190 1.00 0.00 C ATOM 128 O GLN D 9 10.801 5.346 7.397 1.00 0.00 O ATOM 129 CB GLN D 9 12.301 3.276 6.176 1.00 0.00 C ATOM 130 CG GLN D 9 13.605 3.891 6.673 1.00 0.00 C ATOM 131 CD GLN D 9 14.539 4.281 5.556 1.00 0.00 C ATOM 132 OE1 GLN D 9 14.995 3.435 4.788 1.00 0.00 O ATOM 133 NE2 GLN D 9 14.821 5.564 5.454 1.00 0.00 N ATOM 0 H GLN D 9 12.991 4.838 4.136 1.00 0.00 H new ATOM 0 HA GLN D 9 10.486 3.660 5.119 1.00 0.00 H new ATOM 0 HB2 GLN D 9 11.740 2.912 7.037 1.00 0.00 H new ATOM 0 HB3 GLN D 9 12.540 2.408 5.561 1.00 0.00 H new ATOM 0 HG2 GLN D 9 13.378 4.772 7.273 1.00 0.00 H new ATOM 0 HG3 GLN D 9 14.109 3.180 7.328 1.00 0.00 H new ATOM 0 HE21 GLN D 9 14.419 6.229 6.115 1.00 0.00 H new ATOM 0 HE22 GLN D 9 15.442 5.893 4.714 1.00 0.00 H new ATOM 142 N MET D 10 11.012 6.610 5.551 1.00 0.00 N ATOM 143 CA MET D 10 10.738 7.860 6.257 1.00 0.00 C ATOM 144 C MET D 10 9.315 8.336 6.005 1.00 0.00 C ATOM 145 O MET D 10 8.448 8.192 6.858 1.00 0.00 O ATOM 146 CB MET D 10 11.731 8.950 5.843 1.00 0.00 C ATOM 147 CG MET D 10 13.179 8.605 6.149 1.00 0.00 C ATOM 148 SD MET D 10 13.474 8.355 7.910 1.00 0.00 S ATOM 149 CE MET D 10 13.054 9.972 8.558 1.00 0.00 C ATOM 0 H MET D 10 11.190 6.717 4.552 1.00 0.00 H new ATOM 0 HA MET D 10 10.853 7.664 7.323 1.00 0.00 H new ATOM 0 HB2 MET D 10 11.629 9.135 4.774 1.00 0.00 H new ATOM 0 HB3 MET D 10 11.472 9.878 6.353 1.00 0.00 H new ATOM 0 HG2 MET D 10 13.456 7.701 5.606 1.00 0.00 H new ATOM 0 HG3 MET D 10 13.824 9.405 5.786 1.00 0.00 H new ATOM 0 HE1 MET D 10 13.492 10.092 9.549 1.00 0.00 H new ATOM 0 HE2 MET D 10 13.444 10.743 7.893 1.00 0.00 H new ATOM 0 HE3 MET D 10 11.970 10.066 8.627 1.00 0.00 H new ATOM 159 N ASN D 11 9.059 8.826 4.804 1.00 0.00 N ATOM 160 CA ASN D 11 7.709 9.231 4.432 1.00 0.00 C ATOM 161 C ASN D 11 7.063 8.174 3.606 1.00 0.00 C ATOM 162 O ASN D 11 5.865 7.982 3.658 1.00 0.00 O ATOM 163 CB ASN D 11 7.687 10.504 3.603 1.00 0.00 C ATOM 164 CG ASN D 11 8.049 11.744 4.394 1.00 0.00 C ATOM 165 OD1 ASN D 11 9.158 11.861 4.920 1.00 0.00 O ATOM 166 ND2 ASN D 11 7.117 12.679 4.486 1.00 0.00 N ATOM 0 H ASN D 11 9.760 8.953 4.074 1.00 0.00 H new ATOM 0 HA ASN D 11 7.179 9.397 5.370 1.00 0.00 H new ATOM 0 HB2 ASN D 11 8.382 10.398 2.770 1.00 0.00 H new ATOM 0 HB3 ASN D 11 6.693 10.633 3.175 1.00 0.00 H new ATOM 0 HD21 ASN D 11 7.304 13.536 5.007 1.00 0.00 H new ATOM 0 HD22 ASN D 11 6.212 12.543 4.036 1.00 0.00 H new ATOM 173 N SER D 12 7.847 7.647 2.705 1.00 0.00 N ATOM 174 CA SER D 12 7.366 6.763 1.675 1.00 0.00 C ATOM 175 C SER D 12 6.348 5.753 2.207 1.00 0.00 C ATOM 176 O SER D 12 5.264 5.577 1.649 1.00 0.00 O ATOM 177 CB SER D 12 8.566 6.021 1.111 1.00 0.00 C ATOM 178 OG SER D 12 8.192 5.100 0.099 1.00 0.00 O ATOM 0 H SER D 12 8.851 7.821 2.664 1.00 0.00 H new ATOM 0 HA SER D 12 6.860 7.353 0.911 1.00 0.00 H new ATOM 0 HB2 SER D 12 9.278 6.739 0.703 1.00 0.00 H new ATOM 0 HB3 SER D 12 9.075 5.490 1.915 1.00 0.00 H new ATOM 0 HG SER D 12 8.991 4.644 -0.240 1.00 0.00 H new ATOM 184 N ILE D 13 6.771 5.029 3.227 1.00 0.00 N ATOM 185 CA ILE D 13 5.998 3.942 3.800 1.00 0.00 C ATOM 186 C ILE D 13 5.112 4.432 4.945 1.00 0.00 C ATOM 187 O ILE D 13 4.209 3.735 5.405 1.00 0.00 O ATOM 188 CB ILE D 13 6.977 2.861 4.278 1.00 0.00 C ATOM 189 CG1 ILE D 13 7.822 2.436 3.096 1.00 0.00 C ATOM 190 CG2 ILE D 13 6.265 1.664 4.895 1.00 0.00 C ATOM 191 CD1 ILE D 13 8.877 1.405 3.433 1.00 0.00 C ATOM 0 H ILE D 13 7.669 5.180 3.685 1.00 0.00 H new ATOM 0 HA ILE D 13 5.329 3.528 3.046 1.00 0.00 H new ATOM 0 HB ILE D 13 7.605 3.277 5.066 1.00 0.00 H new ATOM 0 HG12 ILE D 13 7.169 2.033 2.322 1.00 0.00 H new ATOM 0 HG13 ILE D 13 8.309 3.316 2.676 1.00 0.00 H new ATOM 0 HG21 ILE D 13 7.002 0.928 5.217 1.00 0.00 H new ATOM 0 HG22 ILE D 13 5.680 1.992 5.755 1.00 0.00 H new ATOM 0 HG23 ILE D 13 5.602 1.214 4.156 1.00 0.00 H new ATOM 0 HD11 ILE D 13 9.440 1.153 2.534 1.00 0.00 H new ATOM 0 HD12 ILE D 13 9.555 1.810 4.184 1.00 0.00 H new ATOM 0 HD13 ILE D 13 8.397 0.508 3.824 1.00 0.00 H new ATOM 203 N ASN D 14 5.318 5.668 5.340 1.00 0.00 N ATOM 204 CA ASN D 14 4.458 6.282 6.359 1.00 0.00 C ATOM 205 C ASN D 14 3.307 7.060 5.722 1.00 0.00 C ATOM 206 O ASN D 14 2.137 6.757 5.961 1.00 0.00 O ATOM 207 CB ASN D 14 5.246 7.194 7.306 1.00 0.00 C ATOM 208 CG ASN D 14 6.208 6.438 8.205 1.00 0.00 C ATOM 209 OD1 ASN D 14 6.889 7.037 9.036 1.00 0.00 O ATOM 210 ND2 ASN D 14 6.263 5.123 8.057 1.00 0.00 N ATOM 0 H ASN D 14 6.060 6.271 4.985 1.00 0.00 H new ATOM 0 HA ASN D 14 4.044 5.463 6.948 1.00 0.00 H new ATOM 0 HB2 ASN D 14 5.805 7.921 6.717 1.00 0.00 H new ATOM 0 HB3 ASN D 14 4.546 7.755 7.925 1.00 0.00 H new ATOM 0 HD21 ASN D 14 6.887 4.569 8.644 1.00 0.00 H new ATOM 0 HD22 ASN D 14 5.682 4.664 7.356 1.00 0.00 H new ATOM 217 N SER D 15 3.636 8.051 4.901 1.00 0.00 N ATOM 218 CA SER D 15 2.627 8.859 4.227 1.00 0.00 C ATOM 219 C SER D 15 1.804 8.028 3.244 1.00 0.00 C ATOM 220 O SER D 15 0.713 8.435 2.853 1.00 0.00 O ATOM 221 CB SER D 15 3.245 10.060 3.511 1.00 0.00 C ATOM 222 OG SER D 15 4.163 9.650 2.512 1.00 0.00 O ATOM 0 H SER D 15 4.598 8.315 4.686 1.00 0.00 H new ATOM 0 HA SER D 15 1.960 9.233 5.004 1.00 0.00 H new ATOM 0 HB2 SER D 15 2.456 10.661 3.058 1.00 0.00 H new ATOM 0 HB3 SER D 15 3.754 10.696 4.236 1.00 0.00 H new ATOM 0 HG SER D 15 4.814 9.029 2.901 1.00 0.00 H new ATOM 228 N VAL D 16 2.284 6.828 2.899 1.00 0.00 N ATOM 229 CA VAL D 16 1.515 5.932 2.040 1.00 0.00 C ATOM 230 C VAL D 16 0.193 5.592 2.715 1.00 0.00 C ATOM 231 O VAL D 16 -0.835 5.418 2.064 1.00 0.00 O ATOM 232 CB VAL D 16 2.275 4.618 1.727 1.00 0.00 C ATOM 233 CG1 VAL D 16 2.555 3.826 2.984 1.00 0.00 C ATOM 234 CG2 VAL D 16 1.496 3.760 0.744 1.00 0.00 C ATOM 0 H VAL D 16 3.188 6.462 3.198 1.00 0.00 H new ATOM 0 HA VAL D 16 1.346 6.452 1.097 1.00 0.00 H new ATOM 0 HB VAL D 16 3.227 4.898 1.277 1.00 0.00 H new ATOM 0 HG11 VAL D 16 3.089 2.911 2.726 1.00 0.00 H new ATOM 0 HG12 VAL D 16 3.165 4.423 3.662 1.00 0.00 H new ATOM 0 HG13 VAL D 16 1.614 3.572 3.471 1.00 0.00 H new ATOM 0 HG21 VAL D 16 2.051 2.844 0.541 1.00 0.00 H new ATOM 0 HG22 VAL D 16 0.525 3.509 1.170 1.00 0.00 H new ATOM 0 HG23 VAL D 16 1.353 4.311 -0.186 1.00 0.00 H new ATOM 244 N ASN D 17 0.237 5.576 4.034 1.00 0.00 N ATOM 245 CA ASN D 17 -0.941 5.333 4.854 1.00 0.00 C ATOM 246 C ASN D 17 -1.843 6.542 4.791 1.00 0.00 C ATOM 247 O ASN D 17 -3.055 6.423 4.736 1.00 0.00 O ATOM 248 CB ASN D 17 -0.558 5.083 6.320 1.00 0.00 C ATOM 249 CG ASN D 17 0.359 3.893 6.537 1.00 0.00 C ATOM 250 OD1 ASN D 17 0.748 3.605 7.666 1.00 0.00 O ATOM 251 ND2 ASN D 17 0.713 3.192 5.470 1.00 0.00 N ATOM 0 H ASN D 17 1.091 5.731 4.570 1.00 0.00 H new ATOM 0 HA ASN D 17 -1.448 4.448 4.470 1.00 0.00 H new ATOM 0 HB2 ASN D 17 -0.072 5.976 6.713 1.00 0.00 H new ATOM 0 HB3 ASN D 17 -1.469 4.934 6.900 1.00 0.00 H new ATOM 0 HD21 ASN D 17 1.328 2.384 5.571 1.00 0.00 H new ATOM 0 HD22 ASN D 17 0.371 3.460 4.547 1.00 0.00 H new ATOM 258 N ASP D 18 -1.220 7.710 4.808 1.00 0.00 N ATOM 259 CA ASP D 18 -1.922 8.990 4.768 1.00 0.00 C ATOM 260 C ASP D 18 -2.792 9.147 3.520 1.00 0.00 C ATOM 261 O ASP D 18 -3.662 10.015 3.476 1.00 0.00 O ATOM 262 CB ASP D 18 -0.903 10.134 4.819 1.00 0.00 C ATOM 263 CG ASP D 18 -0.158 10.212 6.131 1.00 0.00 C ATOM 264 OD1 ASP D 18 0.497 9.223 6.512 1.00 0.00 O ATOM 265 OD2 ASP D 18 -0.207 11.274 6.772 1.00 0.00 O1- ATOM 0 H ASP D 18 -0.205 7.800 4.850 1.00 0.00 H new ATOM 0 HA ASP D 18 -2.583 9.022 5.634 1.00 0.00 H new ATOM 0 HB2 ASP D 18 -0.185 10.008 4.008 1.00 0.00 H new ATOM 0 HB3 ASP D 18 -1.418 11.079 4.645 1.00 0.00 H new ATOM 270 N LYS D 19 -2.572 8.309 2.518 1.00 0.00 N ATOM 271 CA LYS D 19 -3.357 8.363 1.296 1.00 0.00 C ATOM 272 C LYS D 19 -4.531 7.453 1.439 1.00 0.00 C ATOM 273 O LYS D 19 -5.674 7.830 1.272 1.00 0.00 O ATOM 274 CB LYS D 19 -2.517 7.897 0.162 1.00 0.00 C ATOM 275 CG LYS D 19 -1.227 8.642 0.161 1.00 0.00 C ATOM 276 CD LYS D 19 -0.227 7.927 -0.654 1.00 0.00 C ATOM 277 CE LYS D 19 1.147 8.346 -0.214 1.00 0.00 C ATOM 278 NZ LYS D 19 1.436 9.771 -0.516 1.00 0.00 N1+ ATOM 0 H LYS D 19 -1.855 7.583 2.528 1.00 0.00 H new ATOM 0 HA LYS D 19 -3.695 9.383 1.112 1.00 0.00 H new ATOM 0 HB2 LYS D 19 -2.331 6.827 0.249 1.00 0.00 H new ATOM 0 HB3 LYS D 19 -3.041 8.054 -0.781 1.00 0.00 H new ATOM 0 HG2 LYS D 19 -1.379 9.646 -0.235 1.00 0.00 H new ATOM 0 HG3 LYS D 19 -0.862 8.754 1.182 1.00 0.00 H new ATOM 0 HD2 LYS D 19 -0.348 6.850 -0.539 1.00 0.00 H new ATOM 0 HD3 LYS D 19 -0.370 8.153 -1.711 1.00 0.00 H new ATOM 0 HE2 LYS D 19 1.247 8.179 0.858 1.00 0.00 H new ATOM 0 HE3 LYS D 19 1.889 7.717 -0.706 1.00 0.00 H new ATOM 0 HZ1 LYS D 19 2.413 9.993 -0.238 1.00 0.00 H new ATOM 0 HZ2 LYS D 19 1.319 9.941 -1.535 1.00 0.00 H new ATOM 0 HZ3 LYS D 19 0.779 10.378 0.014 1.00 0.00 H new ATOM 292 N LEU D 20 -4.183 6.243 1.797 1.00 0.00 N ATOM 293 CA LEU D 20 -5.114 5.177 2.041 1.00 0.00 C ATOM 294 C LEU D 20 -6.120 5.574 3.119 1.00 0.00 C ATOM 295 O LEU D 20 -7.313 5.292 3.020 1.00 0.00 O ATOM 296 CB LEU D 20 -4.290 3.998 2.508 1.00 0.00 C ATOM 297 CG LEU D 20 -3.163 3.596 1.550 1.00 0.00 C ATOM 298 CD1 LEU D 20 -2.272 2.533 2.165 1.00 0.00 C ATOM 299 CD2 LEU D 20 -3.737 3.108 0.230 1.00 0.00 C ATOM 0 H LEU D 20 -3.210 5.966 1.930 1.00 0.00 H new ATOM 0 HA LEU D 20 -5.683 4.940 1.142 1.00 0.00 H new ATOM 0 HB2 LEU D 20 -3.857 4.235 3.480 1.00 0.00 H new ATOM 0 HB3 LEU D 20 -4.950 3.143 2.653 1.00 0.00 H new ATOM 0 HG LEU D 20 -2.552 4.479 1.362 1.00 0.00 H new ATOM 0 HD11 LEU D 20 -1.482 2.269 1.462 1.00 0.00 H new ATOM 0 HD12 LEU D 20 -1.827 2.918 3.083 1.00 0.00 H new ATOM 0 HD13 LEU D 20 -2.866 1.648 2.393 1.00 0.00 H new ATOM 0 HD21 LEU D 20 -2.923 2.827 -0.439 1.00 0.00 H new ATOM 0 HD22 LEU D 20 -4.376 2.243 0.409 1.00 0.00 H new ATOM 0 HD23 LEU D 20 -4.324 3.904 -0.228 1.00 0.00 H new ATOM 311 N ASN D 21 -5.614 6.249 4.141 1.00 0.00 N ATOM 312 CA ASN D 21 -6.428 6.725 5.248 1.00 0.00 C ATOM 313 C ASN D 21 -7.238 7.956 4.847 1.00 0.00 C ATOM 314 O ASN D 21 -6.715 9.068 4.860 1.00 0.00 O ATOM 315 CB ASN D 21 -5.536 7.057 6.454 1.00 0.00 C ATOM 316 CG ASN D 21 -5.097 5.823 7.220 1.00 0.00 C ATOM 317 OD1 ASN D 21 -5.929 5.073 7.723 1.00 0.00 O ATOM 318 ND2 ASN D 21 -3.795 5.609 7.326 1.00 0.00 N ATOM 0 H ASN D 21 -4.625 6.482 4.225 1.00 0.00 H new ATOM 0 HA ASN D 21 -7.124 5.932 5.521 1.00 0.00 H new ATOM 0 HB2 ASN D 21 -4.654 7.598 6.110 1.00 0.00 H new ATOM 0 HB3 ASN D 21 -6.076 7.723 7.127 1.00 0.00 H new ATOM 0 HD21 ASN D 21 -3.452 4.798 7.840 1.00 0.00 H new ATOM 0 HD22 ASN D 21 -3.135 6.256 6.894 1.00 0.00 H new ATOM 325 N LYS D 22 -8.487 7.763 4.411 1.00 0.00 N ATOM 326 CA LYS D 22 -9.274 8.903 3.917 1.00 0.00 C ATOM 327 C LYS D 22 -10.590 9.137 4.662 1.00 0.00 C ATOM 328 O LYS D 22 -10.941 10.285 4.934 1.00 0.00 O ATOM 329 CB LYS D 22 -9.523 8.764 2.415 1.00 0.00 C ATOM 330 CG LYS D 22 -8.280 9.045 1.582 1.00 0.00 C ATOM 331 CD LYS D 22 -8.496 8.731 0.112 1.00 0.00 C ATOM 332 CE LYS D 22 -7.301 9.127 -0.737 1.00 0.00 C ATOM 333 NZ LYS D 22 -7.497 8.778 -2.168 1.00 0.00 N1+ ATOM 0 H LYS D 22 -8.964 6.862 4.388 1.00 0.00 H new ATOM 0 HA LYS D 22 -8.669 9.788 4.115 1.00 0.00 H new ATOM 0 HB2 LYS D 22 -9.877 7.755 2.202 1.00 0.00 H new ATOM 0 HB3 LYS D 22 -10.316 9.450 2.118 1.00 0.00 H new ATOM 0 HG2 LYS D 22 -8.000 10.093 1.691 1.00 0.00 H new ATOM 0 HG3 LYS D 22 -7.448 8.451 1.961 1.00 0.00 H new ATOM 0 HD2 LYS D 22 -8.687 7.664 -0.006 1.00 0.00 H new ATOM 0 HD3 LYS D 22 -9.383 9.255 -0.244 1.00 0.00 H new ATOM 0 HE2 LYS D 22 -7.130 10.200 -0.645 1.00 0.00 H new ATOM 0 HE3 LYS D 22 -6.408 8.629 -0.361 1.00 0.00 H new ATOM 0 HZ1 LYS D 22 -6.585 8.825 -2.665 1.00 0.00 H new ATOM 0 HZ2 LYS D 22 -7.882 7.815 -2.241 1.00 0.00 H new ATOM 0 HZ3 LYS D 22 -8.162 9.450 -2.601 1.00 0.00 H new ATOM 347 N GLY D 23 -11.333 8.085 4.977 1.00 0.00 N ATOM 348 CA GLY D 23 -12.591 8.279 5.655 1.00 0.00 C ATOM 349 C GLY D 23 -13.408 7.013 5.775 1.00 0.00 C ATOM 350 O GLY D 23 -13.218 6.249 6.721 1.00 0.00 O ATOM 0 H GLY D 23 -11.089 7.115 4.777 1.00 0.00 H new ATOM 0 HA2 GLY D 23 -12.401 8.676 6.652 1.00 0.00 H new ATOM 0 HA3 GLY D 23 -13.173 9.029 5.119 1.00 0.00 H new ATOM 354 N LYS D 24 -14.291 6.787 4.795 1.00 0.00 N ATOM 355 CA LYS D 24 -15.134 5.586 4.741 1.00 0.00 C ATOM 356 C LYS D 24 -14.286 4.358 4.992 1.00 0.00 C ATOM 357 O LYS D 24 -14.568 3.551 5.867 1.00 0.00 O ATOM 358 CB LYS D 24 -15.764 5.483 3.374 1.00 0.00 C ATOM 359 CG LYS D 24 -16.855 4.448 3.256 1.00 0.00 C ATOM 360 CD LYS D 24 -17.574 4.673 1.957 1.00 0.00 C ATOM 361 CE LYS D 24 -18.750 3.733 1.759 1.00 0.00 C ATOM 362 NZ LYS D 24 -19.400 3.934 0.434 1.00 0.00 N1+ ATOM 0 H LYS D 24 -14.441 7.430 4.018 1.00 0.00 H new ATOM 0 HA LYS D 24 -15.911 5.653 5.503 1.00 0.00 H new ATOM 0 HB2 LYS D 24 -16.175 6.456 3.105 1.00 0.00 H new ATOM 0 HB3 LYS D 24 -14.985 5.254 2.647 1.00 0.00 H new ATOM 0 HG2 LYS D 24 -16.432 3.444 3.288 1.00 0.00 H new ATOM 0 HG3 LYS D 24 -17.548 4.529 4.093 1.00 0.00 H new ATOM 0 HD2 LYS D 24 -17.929 5.703 1.918 1.00 0.00 H new ATOM 0 HD3 LYS D 24 -16.872 4.546 1.133 1.00 0.00 H new ATOM 0 HE2 LYS D 24 -18.409 2.701 1.844 1.00 0.00 H new ATOM 0 HE3 LYS D 24 -19.481 3.894 2.551 1.00 0.00 H new ATOM 0 HZ1 LYS D 24 -20.198 3.275 0.335 1.00 0.00 H new ATOM 0 HZ2 LYS D 24 -19.747 4.912 0.363 1.00 0.00 H new ATOM 0 HZ3 LYS D 24 -18.709 3.756 -0.322 1.00 0.00 H new ATOM 376 N GLY D 25 -13.197 4.290 4.256 1.00 0.00 N ATOM 377 CA GLY D 25 -12.239 3.240 4.427 1.00 0.00 C ATOM 378 C GLY D 25 -10.836 3.746 4.278 1.00 0.00 C ATOM 379 O GLY D 25 -10.612 4.872 3.824 1.00 0.00 O ATOM 0 H GLY D 25 -12.959 4.963 3.527 1.00 0.00 H new ATOM 0 HA2 GLY D 25 -12.362 2.791 5.413 1.00 0.00 H new ATOM 0 HA3 GLY D 25 -12.423 2.455 3.694 1.00 0.00 H new ATOM 383 N LYS D 26 -9.923 2.999 4.844 1.00 0.00 N ATOM 384 CA LYS D 26 -8.554 3.422 4.980 1.00 0.00 C ATOM 385 C LYS D 26 -7.633 2.224 4.968 1.00 0.00 C ATOM 386 O LYS D 26 -8.082 1.110 5.194 1.00 0.00 O ATOM 387 CB LYS D 26 -8.451 4.189 6.266 1.00 0.00 C ATOM 388 CG LYS D 26 -9.356 3.596 7.301 1.00 0.00 C ATOM 389 CD LYS D 26 -9.561 4.501 8.508 1.00 0.00 C ATOM 390 CE LYS D 26 -10.237 5.814 8.131 1.00 0.00 C ATOM 391 NZ LYS D 26 -9.285 6.797 7.547 1.00 0.00 N1+ ATOM 0 H LYS D 26 -10.111 2.072 5.226 1.00 0.00 H new ATOM 0 HA LYS D 26 -8.253 4.057 4.147 1.00 0.00 H new ATOM 0 HB2 LYS D 26 -7.421 4.176 6.623 1.00 0.00 H new ATOM 0 HB3 LYS D 26 -8.716 5.233 6.097 1.00 0.00 H new ATOM 0 HG2 LYS D 26 -10.324 3.381 6.848 1.00 0.00 H new ATOM 0 HG3 LYS D 26 -8.942 2.645 7.635 1.00 0.00 H new ATOM 0 HD2 LYS D 26 -10.167 3.982 9.251 1.00 0.00 H new ATOM 0 HD3 LYS D 26 -8.597 4.710 8.972 1.00 0.00 H new ATOM 0 HE2 LYS D 26 -11.035 5.616 7.415 1.00 0.00 H new ATOM 0 HE3 LYS D 26 -10.703 6.246 9.016 1.00 0.00 H new ATOM 0 HZ1 LYS D 26 -9.378 7.707 8.042 1.00 0.00 H new ATOM 0 HZ2 LYS D 26 -8.313 6.443 7.653 1.00 0.00 H new ATOM 0 HZ3 LYS D 26 -9.498 6.929 6.538 1.00 0.00 H new ATOM 405 N LEU D 27 -6.361 2.449 4.704 1.00 0.00 N ATOM 406 CA LEU D 27 -5.393 1.369 4.671 1.00 0.00 C ATOM 407 C LEU D 27 -4.072 1.795 5.306 1.00 0.00 C ATOM 408 O LEU D 27 -3.676 2.957 5.231 1.00 0.00 O ATOM 409 CB LEU D 27 -5.202 0.895 3.242 1.00 0.00 C ATOM 410 CG LEU D 27 -4.040 -0.071 3.014 1.00 0.00 C ATOM 411 CD1 LEU D 27 -4.189 -1.331 3.851 1.00 0.00 C ATOM 412 CD2 LEU D 27 -3.928 -0.436 1.542 1.00 0.00 C ATOM 0 H LEU D 27 -5.973 3.372 4.509 1.00 0.00 H new ATOM 0 HA LEU D 27 -5.773 0.535 5.261 1.00 0.00 H new ATOM 0 HB2 LEU D 27 -6.122 0.412 2.913 1.00 0.00 H new ATOM 0 HB3 LEU D 27 -5.055 1.768 2.606 1.00 0.00 H new ATOM 0 HG LEU D 27 -3.127 0.437 3.326 1.00 0.00 H new ATOM 0 HD11 LEU D 27 -3.345 -1.995 3.663 1.00 0.00 H new ATOM 0 HD12 LEU D 27 -4.213 -1.065 4.908 1.00 0.00 H new ATOM 0 HD13 LEU D 27 -5.116 -1.838 3.583 1.00 0.00 H new ATOM 0 HD21 LEU D 27 -3.095 -1.124 1.400 1.00 0.00 H new ATOM 0 HD22 LEU D 27 -4.852 -0.912 1.214 1.00 0.00 H new ATOM 0 HD23 LEU D 27 -3.757 0.467 0.955 1.00 0.00 H new ATOM 424 N SER D 28 -3.435 0.867 5.996 1.00 0.00 N ATOM 425 CA SER D 28 -2.212 1.152 6.719 1.00 0.00 C ATOM 426 C SER D 28 -1.251 -0.010 6.575 1.00 0.00 C ATOM 427 O SER D 28 -1.485 -1.076 7.130 1.00 0.00 O ATOM 428 CB SER D 28 -2.524 1.342 8.200 1.00 0.00 C ATOM 429 OG SER D 28 -1.409 1.860 8.907 1.00 0.00 O ATOM 0 H SER D 28 -3.750 -0.100 6.070 1.00 0.00 H new ATOM 0 HA SER D 28 -1.765 2.059 6.312 1.00 0.00 H new ATOM 0 HB2 SER D 28 -3.371 2.019 8.310 1.00 0.00 H new ATOM 0 HB3 SER D 28 -2.820 0.388 8.635 1.00 0.00 H new ATOM 0 HG SER D 28 -0.853 2.390 8.298 1.00 0.00 H new ATOM 435 N LEU D 29 -0.178 0.178 5.840 1.00 0.00 N ATOM 436 CA LEU D 29 0.778 -0.894 5.658 1.00 0.00 C ATOM 437 C LEU D 29 2.214 -0.453 5.897 1.00 0.00 C ATOM 438 O LEU D 29 2.579 0.700 5.651 1.00 0.00 O ATOM 439 CB LEU D 29 0.585 -1.549 4.302 1.00 0.00 C ATOM 440 CG LEU D 29 0.218 -0.559 3.229 1.00 0.00 C ATOM 441 CD1 LEU D 29 1.397 0.314 2.830 1.00 0.00 C ATOM 442 CD2 LEU D 29 -0.391 -1.251 2.024 1.00 0.00 C ATOM 0 H LEU D 29 0.054 1.050 5.364 1.00 0.00 H new ATOM 0 HA LEU D 29 0.582 -1.645 6.423 1.00 0.00 H new ATOM 0 HB2 LEU D 29 1.502 -2.064 4.018 1.00 0.00 H new ATOM 0 HB3 LEU D 29 -0.196 -2.306 4.376 1.00 0.00 H new ATOM 0 HG LEU D 29 -0.539 0.102 3.650 1.00 0.00 H new ATOM 0 HD11 LEU D 29 1.086 1.013 2.054 1.00 0.00 H new ATOM 0 HD12 LEU D 29 1.749 0.870 3.699 1.00 0.00 H new ATOM 0 HD13 LEU D 29 2.203 -0.314 2.451 1.00 0.00 H new ATOM 0 HD21 LEU D 29 -0.645 -0.508 1.268 1.00 0.00 H new ATOM 0 HD22 LEU D 29 0.326 -1.960 1.610 1.00 0.00 H new ATOM 0 HD23 LEU D 29 -1.293 -1.783 2.327 1.00 0.00 H new ATOM 454 N SER D 30 2.999 -1.371 6.436 1.00 0.00 N ATOM 455 CA SER D 30 4.383 -1.110 6.787 1.00 0.00 C ATOM 456 C SER D 30 5.134 -2.429 6.910 1.00 0.00 C ATOM 457 O SER D 30 4.577 -3.494 6.635 1.00 0.00 O ATOM 458 CB SER D 30 4.459 -0.329 8.104 1.00 0.00 C ATOM 459 OG SER D 30 3.820 -1.036 9.158 1.00 0.00 O ATOM 0 H SER D 30 2.692 -2.321 6.643 1.00 0.00 H new ATOM 0 HA SER D 30 4.844 -0.508 6.004 1.00 0.00 H new ATOM 0 HB2 SER D 30 5.502 -0.149 8.363 1.00 0.00 H new ATOM 0 HB3 SER D 30 3.989 0.646 7.979 1.00 0.00 H new ATOM 0 HG SER D 30 3.885 -0.517 9.987 1.00 0.00 H new ATOM 465 N MET D 31 6.366 -2.370 7.390 1.00 0.00 N ATOM 466 CA MET D 31 7.144 -3.576 7.628 1.00 0.00 C ATOM 467 C MET D 31 7.651 -3.622 9.053 1.00 0.00 C ATOM 468 O MET D 31 8.327 -2.706 9.518 1.00 0.00 O ATOM 469 CB MET D 31 8.319 -3.687 6.652 1.00 0.00 C ATOM 470 CG MET D 31 7.894 -3.817 5.197 1.00 0.00 C ATOM 471 SD MET D 31 9.289 -4.048 4.077 1.00 0.00 S ATOM 472 CE MET D 31 10.217 -2.545 4.364 1.00 0.00 C ATOM 0 H MET D 31 6.848 -1.502 7.622 1.00 0.00 H new ATOM 0 HA MET D 31 6.481 -4.425 7.463 1.00 0.00 H new ATOM 0 HB2 MET D 31 8.953 -2.807 6.759 1.00 0.00 H new ATOM 0 HB3 MET D 31 8.925 -4.552 6.923 1.00 0.00 H new ATOM 0 HG2 MET D 31 7.211 -4.660 5.097 1.00 0.00 H new ATOM 0 HG3 MET D 31 7.343 -2.924 4.903 1.00 0.00 H new ATOM 0 HE1 MET D 31 10.914 -2.385 3.541 1.00 0.00 H new ATOM 0 HE2 MET D 31 9.531 -1.700 4.428 1.00 0.00 H new ATOM 0 HE3 MET D 31 10.772 -2.633 5.298 1.00 0.00 H new ATOM 482 N ASN D 32 7.438 -4.763 9.677 1.00 0.00 N ATOM 483 CA ASN D 32 7.993 -5.040 10.989 1.00 0.00 C ATOM 484 C ASN D 32 9.342 -5.704 10.787 1.00 0.00 C ATOM 485 O ASN D 32 9.407 -6.886 10.446 1.00 0.00 O ATOM 486 CB ASN D 32 7.062 -5.963 11.782 1.00 0.00 C ATOM 487 CG ASN D 32 7.589 -6.247 13.174 1.00 0.00 C ATOM 488 OD1 ASN D 32 7.816 -5.327 13.961 1.00 0.00 O ATOM 489 ND2 ASN D 32 7.783 -7.518 13.488 1.00 0.00 N ATOM 0 H ASN D 32 6.877 -5.523 9.291 1.00 0.00 H new ATOM 0 HA ASN D 32 8.103 -4.115 11.555 1.00 0.00 H new ATOM 0 HB2 ASN D 32 6.075 -5.506 11.855 1.00 0.00 H new ATOM 0 HB3 ASN D 32 6.939 -6.902 11.243 1.00 0.00 H new ATOM 0 HD21 ASN D 32 8.134 -7.767 14.413 1.00 0.00 H new ATOM 0 HD22 ASN D 32 7.582 -8.248 12.805 1.00 0.00 H new ATOM 496 N GLY D 33 10.372 -4.877 10.691 1.00 0.00 N ATOM 497 CA GLY D 33 11.633 -5.362 10.167 1.00 0.00 C ATOM 498 C GLY D 33 11.560 -5.439 8.658 1.00 0.00 C ATOM 499 O GLY D 33 11.559 -4.412 7.979 1.00 0.00 O ATOM 0 H GLY D 33 10.360 -3.894 10.962 1.00 0.00 H new ATOM 0 HA2 GLY D 33 12.443 -4.698 10.468 1.00 0.00 H new ATOM 0 HA3 GLY D 33 11.856 -6.345 10.581 1.00 0.00 H new ATOM 503 N ASN D 34 11.331 -6.638 8.142 1.00 0.00 N ATOM 504 CA ASN D 34 11.065 -6.820 6.720 1.00 0.00 C ATOM 505 C ASN D 34 9.703 -7.471 6.509 1.00 0.00 C ATOM 506 O ASN D 34 9.425 -8.007 5.442 1.00 0.00 O ATOM 507 CB ASN D 34 12.156 -7.675 6.072 1.00 0.00 C ATOM 508 CG ASN D 34 13.518 -7.019 6.145 1.00 0.00 C ATOM 509 OD1 ASN D 34 13.724 -5.931 5.606 1.00 0.00 O ATOM 510 ND2 ASN D 34 14.454 -7.667 6.821 1.00 0.00 N ATOM 0 H ASN D 34 11.324 -7.501 8.686 1.00 0.00 H new ATOM 0 HA ASN D 34 11.063 -5.837 6.248 1.00 0.00 H new ATOM 0 HB2 ASN D 34 12.196 -8.646 6.566 1.00 0.00 H new ATOM 0 HB3 ASN D 34 11.899 -7.859 5.029 1.00 0.00 H new ATOM 0 HD21 ASN D 34 15.388 -7.267 6.910 1.00 0.00 H new ATOM 0 HD22 ASN D 34 14.241 -8.566 7.252 1.00 0.00 H new ATOM 517 N GLN D 35 8.893 -7.505 7.563 1.00 0.00 N ATOM 518 CA GLN D 35 7.602 -8.193 7.526 1.00 0.00 C ATOM 519 C GLN D 35 6.502 -7.264 7.036 1.00 0.00 C ATOM 520 O GLN D 35 6.319 -6.185 7.575 1.00 0.00 O ATOM 521 CB GLN D 35 7.248 -8.682 8.922 1.00 0.00 C ATOM 522 CG GLN D 35 5.992 -9.535 8.985 1.00 0.00 C ATOM 523 CD GLN D 35 5.716 -10.045 10.384 1.00 0.00 C ATOM 524 OE1 GLN D 35 5.576 -9.262 11.323 1.00 0.00 O ATOM 525 NE2 GLN D 35 5.630 -11.357 10.531 1.00 0.00 N ATOM 0 H GLN D 35 9.107 -7.063 8.457 1.00 0.00 H new ATOM 0 HA GLN D 35 7.684 -9.034 6.838 1.00 0.00 H new ATOM 0 HB2 GLN D 35 8.085 -9.259 9.316 1.00 0.00 H new ATOM 0 HB3 GLN D 35 7.120 -7.819 9.575 1.00 0.00 H new ATOM 0 HG2 GLN D 35 5.140 -8.950 8.639 1.00 0.00 H new ATOM 0 HG3 GLN D 35 6.095 -10.381 8.306 1.00 0.00 H new ATOM 0 HE21 GLN D 35 5.753 -11.970 9.725 1.00 0.00 H new ATOM 0 HE22 GLN D 35 5.441 -11.756 11.451 1.00 0.00 H new ATOM 534 N LEU D 36 5.776 -7.687 6.020 1.00 0.00 N ATOM 535 CA LEU D 36 4.705 -6.876 5.457 1.00 0.00 C ATOM 536 C LEU D 36 3.449 -6.956 6.312 1.00 0.00 C ATOM 537 O LEU D 36 3.026 -8.035 6.727 1.00 0.00 O ATOM 538 CB LEU D 36 4.484 -7.325 4.013 1.00 0.00 C ATOM 539 CG LEU D 36 3.406 -6.615 3.169 1.00 0.00 C ATOM 540 CD1 LEU D 36 2.005 -6.962 3.638 1.00 0.00 C ATOM 541 CD2 LEU D 36 3.600 -5.107 3.189 1.00 0.00 C ATOM 0 H LEU D 36 5.906 -8.590 5.564 1.00 0.00 H new ATOM 0 HA LEU D 36 4.979 -5.821 5.453 1.00 0.00 H new ATOM 0 HB2 LEU D 36 5.434 -7.224 3.487 1.00 0.00 H new ATOM 0 HB3 LEU D 36 4.241 -8.387 4.032 1.00 0.00 H new ATOM 0 HG LEU D 36 3.520 -6.971 2.145 1.00 0.00 H new ATOM 0 HD11 LEU D 36 1.275 -6.442 3.018 1.00 0.00 H new ATOM 0 HD12 LEU D 36 1.850 -8.038 3.556 1.00 0.00 H new ATOM 0 HD13 LEU D 36 1.883 -6.656 4.677 1.00 0.00 H new ATOM 0 HD21 LEU D 36 2.826 -4.633 2.586 1.00 0.00 H new ATOM 0 HD22 LEU D 36 3.533 -4.745 4.215 1.00 0.00 H new ATOM 0 HD23 LEU D 36 4.580 -4.861 2.781 1.00 0.00 H new ATOM 553 N LYS D 37 2.981 -5.782 6.720 1.00 0.00 N ATOM 554 CA LYS D 37 1.911 -5.665 7.702 1.00 0.00 C ATOM 555 C LYS D 37 0.895 -4.612 7.264 1.00 0.00 C ATOM 556 O LYS D 37 1.250 -3.449 7.099 1.00 0.00 O ATOM 557 CB LYS D 37 2.536 -5.250 9.034 1.00 0.00 C ATOM 558 CG LYS D 37 3.652 -6.182 9.496 1.00 0.00 C ATOM 559 CD LYS D 37 3.156 -7.589 9.817 1.00 0.00 C ATOM 560 CE LYS D 37 2.127 -7.614 10.941 1.00 0.00 C ATOM 561 NZ LYS D 37 1.682 -8.998 11.253 1.00 0.00 N1+ ATOM 0 H LYS D 37 3.332 -4.887 6.380 1.00 0.00 H new ATOM 0 HA LYS D 37 1.393 -6.619 7.799 1.00 0.00 H new ATOM 0 HB2 LYS D 37 2.932 -4.239 8.942 1.00 0.00 H new ATOM 0 HB3 LYS D 37 1.759 -5.219 9.798 1.00 0.00 H new ATOM 0 HG2 LYS D 37 4.415 -6.240 8.720 1.00 0.00 H new ATOM 0 HG3 LYS D 37 4.128 -5.760 10.381 1.00 0.00 H new ATOM 0 HD2 LYS D 37 2.718 -8.027 8.920 1.00 0.00 H new ATOM 0 HD3 LYS D 37 4.005 -8.213 10.095 1.00 0.00 H new ATOM 0 HE2 LYS D 37 2.554 -7.160 11.835 1.00 0.00 H new ATOM 0 HE3 LYS D 37 1.265 -7.010 10.658 1.00 0.00 H new ATOM 0 HZ1 LYS D 37 0.983 -8.973 12.022 1.00 0.00 H new ATOM 0 HZ2 LYS D 37 1.251 -9.423 10.407 1.00 0.00 H new ATOM 0 HZ3 LYS D 37 2.501 -9.568 11.548 1.00 0.00 H new ATOM 575 N ALA D 38 -0.348 -5.019 7.024 1.00 0.00 N ATOM 576 CA ALA D 38 -1.366 -4.093 6.548 1.00 0.00 C ATOM 577 C ALA D 38 -2.615 -4.122 7.415 1.00 0.00 C ATOM 578 O ALA D 38 -2.995 -5.162 7.951 1.00 0.00 O ATOM 579 CB ALA D 38 -1.730 -4.424 5.115 1.00 0.00 C ATOM 0 H ALA D 38 -0.672 -5.978 7.151 1.00 0.00 H new ATOM 0 HA ALA D 38 -0.949 -3.088 6.604 1.00 0.00 H new ATOM 0 HB1 ALA D 38 -2.492 -3.729 4.763 1.00 0.00 H new ATOM 0 HB2 ALA D 38 -0.844 -4.340 4.486 1.00 0.00 H new ATOM 0 HB3 ALA D 38 -2.116 -5.442 5.064 1.00 0.00 H new ATOM 585 N THR D 39 -3.264 -2.969 7.499 1.00 0.00 N ATOM 586 CA THR D 39 -4.505 -2.806 8.236 1.00 0.00 C ATOM 587 C THR D 39 -5.403 -1.772 7.563 1.00 0.00 C ATOM 588 O THR D 39 -5.046 -0.608 7.444 1.00 0.00 O ATOM 589 CB THR D 39 -4.226 -2.379 9.677 1.00 0.00 C ATOM 590 OG1 THR D 39 -3.270 -1.332 9.718 1.00 0.00 O ATOM 591 CG2 THR D 39 -3.736 -3.494 10.575 1.00 0.00 C ATOM 0 H THR D 39 -2.938 -2.112 7.052 1.00 0.00 H new ATOM 0 HA THR D 39 -5.016 -3.769 8.243 1.00 0.00 H new ATOM 0 HB THR D 39 -5.193 -2.049 10.057 1.00 0.00 H new ATOM 0 HG1 THR D 39 -3.108 -1.073 10.649 1.00 0.00 H new ATOM 0 HG21 THR D 39 -3.563 -3.104 11.578 1.00 0.00 H new ATOM 0 HG22 THR D 39 -4.486 -4.284 10.617 1.00 0.00 H new ATOM 0 HG23 THR D 39 -2.805 -3.899 10.178 1.00 0.00 H new ATOM 599 N SER D 40 -6.614 -2.174 7.257 1.00 0.00 N ATOM 600 CA SER D 40 -7.623 -1.262 6.743 1.00 0.00 C ATOM 601 C SER D 40 -8.689 -1.077 7.784 1.00 0.00 C ATOM 602 O SER D 40 -9.150 -2.046 8.391 1.00 0.00 O ATOM 603 CB SER D 40 -8.217 -1.805 5.471 1.00 0.00 C ATOM 604 OG SER D 40 -7.209 -1.914 4.489 1.00 0.00 O ATOM 0 H SER D 40 -6.932 -3.138 7.355 1.00 0.00 H new ATOM 0 HA SER D 40 -7.165 -0.299 6.518 1.00 0.00 H new ATOM 0 HB2 SER D 40 -8.667 -2.781 5.655 1.00 0.00 H new ATOM 0 HB3 SER D 40 -9.012 -1.148 5.119 1.00 0.00 H new ATOM 0 HG SER D 40 -7.434 -2.638 3.868 1.00 0.00 H new ATOM 610 N SER D 41 -8.995 0.159 8.079 1.00 0.00 N ATOM 611 CA SER D 41 -9.921 0.436 9.160 1.00 0.00 C ATOM 612 C SER D 41 -11.327 0.675 8.626 1.00 0.00 C ATOM 613 O SER D 41 -11.519 0.814 7.408 1.00 0.00 O ATOM 614 CB SER D 41 -9.433 1.613 10.001 1.00 0.00 C ATOM 615 OG SER D 41 -8.148 1.349 10.551 1.00 0.00 O ATOM 0 H SER D 41 -8.628 0.981 7.599 1.00 0.00 H new ATOM 0 HA SER D 41 -9.963 -0.440 9.808 1.00 0.00 H new ATOM 0 HB2 SER D 41 -9.391 2.512 9.386 1.00 0.00 H new ATOM 0 HB3 SER D 41 -10.143 1.809 10.804 1.00 0.00 H new ATOM 0 HG SER D 41 -7.856 2.118 11.084 1.00 0.00 H new ATOM 621 N ASN D 42 -12.303 0.557 9.538 1.00 0.00 N ATOM 622 CA ASN D 42 -13.736 0.578 9.211 1.00 0.00 C ATOM 623 C ASN D 42 -14.192 -0.774 8.682 1.00 0.00 C ATOM 624 O ASN D 42 -15.362 -0.946 8.342 1.00 0.00 O ATOM 625 CB ASN D 42 -14.096 1.698 8.239 1.00 0.00 C ATOM 626 CG ASN D 42 -13.956 3.058 8.881 1.00 0.00 C ATOM 627 OD1 ASN D 42 -14.664 3.379 9.837 1.00 0.00 O ATOM 628 ND2 ASN D 42 -13.036 3.860 8.377 1.00 0.00 N ATOM 0 H ASN D 42 -12.117 0.443 10.534 1.00 0.00 H new ATOM 0 HA ASN D 42 -14.271 0.783 10.138 1.00 0.00 H new ATOM 0 HB2 ASN D 42 -13.451 1.641 7.362 1.00 0.00 H new ATOM 0 HB3 ASN D 42 -15.120 1.563 7.891 1.00 0.00 H new ATOM 0 HD21 ASN D 42 -12.890 4.785 8.780 1.00 0.00 H new ATOM 0 HD22 ASN D 42 -12.471 3.554 7.584 1.00 0.00 H new ATOM 635 N ALA D 43 -13.305 -1.761 8.825 1.00 0.00 N ATOM 636 CA ALA D 43 -13.617 -3.175 8.595 1.00 0.00 C ATOM 637 C ALA D 43 -14.527 -3.437 7.388 1.00 0.00 C ATOM 638 O ALA D 43 -15.563 -4.090 7.535 1.00 0.00 O ATOM 639 CB ALA D 43 -14.241 -3.770 9.851 1.00 0.00 C ATOM 0 H ALA D 43 -12.338 -1.600 9.107 1.00 0.00 H new ATOM 0 HA ALA D 43 -12.669 -3.659 8.361 1.00 0.00 H new ATOM 0 HB1 ALA D 43 -14.473 -4.821 9.679 1.00 0.00 H new ATOM 0 HB2 ALA D 43 -13.540 -3.684 10.681 1.00 0.00 H new ATOM 0 HB3 ALA D 43 -15.157 -3.231 10.092 1.00 0.00 H new ATOM 645 N GLY D 44 -14.085 -3.084 6.182 1.00 0.00 N ATOM 646 CA GLY D 44 -14.846 -3.476 5.023 1.00 0.00 C ATOM 647 C GLY D 44 -15.218 -2.355 4.087 1.00 0.00 C ATOM 648 O GLY D 44 -15.806 -2.603 3.042 1.00 0.00 O ATOM 0 H GLY D 44 -13.237 -2.549 5.996 1.00 0.00 H new ATOM 0 HA2 GLY D 44 -14.273 -4.217 4.466 1.00 0.00 H new ATOM 0 HA3 GLY D 44 -15.760 -3.966 5.358 1.00 0.00 H new ATOM 652 N TYR D 45 -14.921 -1.133 4.459 1.00 0.00 N ATOM 653 CA TYR D 45 -15.271 0.017 3.623 1.00 0.00 C ATOM 654 C TYR D 45 -14.098 0.464 2.748 1.00 0.00 C ATOM 655 O TYR D 45 -12.931 0.317 3.124 1.00 0.00 O ATOM 656 CB TYR D 45 -15.754 1.201 4.471 1.00 0.00 C ATOM 657 CG TYR D 45 -17.104 0.987 5.155 1.00 0.00 C ATOM 658 CD1 TYR D 45 -18.036 2.020 5.256 1.00 0.00 C ATOM 659 CD2 TYR D 45 -17.452 -0.249 5.691 1.00 0.00 C ATOM 660 CE1 TYR D 45 -19.258 1.823 5.866 1.00 0.00 C ATOM 661 CE2 TYR D 45 -18.675 -0.447 6.302 1.00 0.00 C ATOM 662 CZ TYR D 45 -19.572 0.591 6.386 1.00 0.00 C ATOM 663 OH TYR D 45 -20.791 0.399 6.993 1.00 0.00 O ATOM 0 H TYR D 45 -14.441 -0.898 5.328 1.00 0.00 H new ATOM 0 HA TYR D 45 -16.083 -0.310 2.974 1.00 0.00 H new ATOM 0 HB2 TYR D 45 -15.005 1.414 5.234 1.00 0.00 H new ATOM 0 HB3 TYR D 45 -15.820 2.083 3.835 1.00 0.00 H new ATOM 0 HD1 TYR D 45 -17.797 2.992 4.849 1.00 0.00 H new ATOM 0 HD2 TYR D 45 -16.752 -1.069 5.628 1.00 0.00 H new ATOM 0 HE1 TYR D 45 -19.966 2.636 5.934 1.00 0.00 H new ATOM 0 HE2 TYR D 45 -18.925 -1.414 6.712 1.00 0.00 H new ATOM 0 HH TYR D 45 -20.858 -0.527 7.307 1.00 0.00 H new ATOM 673 N GLY D 46 -14.431 1.126 1.642 1.00 0.00 N ATOM 674 CA GLY D 46 -13.430 1.744 0.785 1.00 0.00 C ATOM 675 C GLY D 46 -13.383 3.226 1.035 1.00 0.00 C ATOM 676 O GLY D 46 -14.119 3.697 1.878 1.00 0.00 O ATOM 0 H GLY D 46 -15.391 1.247 1.320 1.00 0.00 H new ATOM 0 HA2 GLY D 46 -12.452 1.303 0.978 1.00 0.00 H new ATOM 0 HA3 GLY D 46 -13.666 1.551 -0.261 1.00 0.00 H new ATOM 680 N ILE D 47 -12.560 3.968 0.294 1.00 0.00 N ATOM 681 CA ILE D 47 -12.482 5.427 0.453 1.00 0.00 C ATOM 682 C ILE D 47 -13.862 6.023 0.468 1.00 0.00 C ATOM 683 O ILE D 47 -14.236 6.779 1.361 1.00 0.00 O ATOM 684 CB ILE D 47 -11.771 6.082 -0.726 1.00 0.00 C ATOM 685 CG1 ILE D 47 -10.430 5.438 -0.978 1.00 0.00 C ATOM 686 CG2 ILE D 47 -11.605 7.575 -0.500 1.00 0.00 C ATOM 687 CD1 ILE D 47 -9.526 5.384 0.234 1.00 0.00 C ATOM 0 H ILE D 47 -11.939 3.588 -0.420 1.00 0.00 H new ATOM 0 HA ILE D 47 -11.943 5.605 1.384 1.00 0.00 H new ATOM 0 HB ILE D 47 -12.393 5.934 -1.609 1.00 0.00 H new ATOM 0 HG12 ILE D 47 -10.590 4.423 -1.342 1.00 0.00 H new ATOM 0 HG13 ILE D 47 -9.921 5.985 -1.772 1.00 0.00 H new ATOM 0 HG21 ILE D 47 -11.095 8.018 -1.355 1.00 0.00 H new ATOM 0 HG22 ILE D 47 -12.586 8.037 -0.383 1.00 0.00 H new ATOM 0 HG23 ILE D 47 -11.015 7.743 0.401 1.00 0.00 H new ATOM 0 HD11 ILE D 47 -8.584 4.906 -0.036 1.00 0.00 H new ATOM 0 HD12 ILE D 47 -9.331 6.396 0.588 1.00 0.00 H new ATOM 0 HD13 ILE D 47 -10.011 4.810 1.024 1.00 0.00 H new ATOM 699 N SER D 48 -14.572 5.704 -0.593 1.00 0.00 N ATOM 700 CA SER D 48 -15.901 6.201 -0.831 1.00 0.00 C ATOM 701 C SER D 48 -16.367 5.618 -2.153 1.00 0.00 C ATOM 702 O SER D 48 -15.722 4.709 -2.681 1.00 0.00 O ATOM 703 CB SER D 48 -15.889 7.736 -0.880 1.00 0.00 C ATOM 704 OG SER D 48 -17.202 8.277 -0.947 1.00 0.00 O ATOM 0 H SER D 48 -14.231 5.080 -1.325 1.00 0.00 H new ATOM 0 HA SER D 48 -16.580 5.908 -0.030 1.00 0.00 H new ATOM 0 HB2 SER D 48 -15.382 8.123 0.004 1.00 0.00 H new ATOM 0 HB3 SER D 48 -15.316 8.067 -1.746 1.00 0.00 H new ATOM 0 HG SER D 48 -17.152 9.255 -0.975 1.00 0.00 H new ATOM 710 N TYR D 49 -17.312 6.276 -2.789 1.00 0.00 N ATOM 711 CA TYR D 49 -17.638 5.952 -4.161 1.00 0.00 C ATOM 712 C TYR D 49 -16.644 6.618 -5.097 1.00 0.00 C ATOM 713 O TYR D 49 -16.880 7.701 -5.628 1.00 0.00 O ATOM 714 CB TYR D 49 -19.074 6.353 -4.479 1.00 0.00 C ATOM 715 CG TYR D 49 -19.545 7.636 -3.788 1.00 0.00 C ATOM 716 CD1 TYR D 49 -18.865 8.843 -3.953 1.00 0.00 C ATOM 717 CD2 TYR D 49 -20.665 7.637 -2.947 1.00 0.00 C ATOM 718 CE1 TYR D 49 -19.283 9.995 -3.316 1.00 0.00 C ATOM 719 CE2 TYR D 49 -21.080 8.788 -2.312 1.00 0.00 C ATOM 720 CZ TYR D 49 -20.387 9.962 -2.498 1.00 0.00 C ATOM 721 OH TYR D 49 -20.804 11.109 -1.870 1.00 0.00 O ATOM 0 H TYR D 49 -17.864 7.032 -2.383 1.00 0.00 H new ATOM 0 HA TYR D 49 -17.565 4.874 -4.305 1.00 0.00 H new ATOM 0 HB2 TYR D 49 -19.172 6.480 -5.557 1.00 0.00 H new ATOM 0 HB3 TYR D 49 -19.737 5.537 -4.192 1.00 0.00 H new ATOM 0 HD1 TYR D 49 -17.995 8.877 -4.591 1.00 0.00 H new ATOM 0 HD2 TYR D 49 -21.213 6.719 -2.793 1.00 0.00 H new ATOM 0 HE1 TYR D 49 -18.744 10.919 -3.460 1.00 0.00 H new ATOM 0 HE2 TYR D 49 -21.948 8.768 -1.669 1.00 0.00 H new ATOM 0 HH TYR D 49 -21.598 10.916 -1.330 1.00 0.00 H new ATOM 731 N GLU D 50 -15.468 6.025 -5.161 1.00 0.00 N ATOM 732 CA GLU D 50 -14.358 6.622 -5.867 1.00 0.00 C ATOM 733 C GLU D 50 -13.872 5.746 -7.006 1.00 0.00 C ATOM 734 O GLU D 50 -14.504 4.748 -7.332 1.00 0.00 O ATOM 735 CB GLU D 50 -13.205 6.859 -4.895 1.00 0.00 C ATOM 736 CG GLU D 50 -13.462 7.957 -3.894 1.00 0.00 C ATOM 737 CD GLU D 50 -13.748 9.281 -4.555 1.00 0.00 C ATOM 738 OE1 GLU D 50 -12.889 9.756 -5.323 1.00 0.00 O ATOM 739 OE2 GLU D 50 -14.827 9.845 -4.312 1.00 0.00 O1- ATOM 0 H GLU D 50 -15.259 5.125 -4.729 1.00 0.00 H new ATOM 0 HA GLU D 50 -14.705 7.565 -6.290 1.00 0.00 H new ATOM 0 HB2 GLU D 50 -13.000 5.933 -4.358 1.00 0.00 H new ATOM 0 HB3 GLU D 50 -12.308 7.103 -5.464 1.00 0.00 H new ATOM 0 HG2 GLU D 50 -14.306 7.679 -3.263 1.00 0.00 H new ATOM 0 HG3 GLU D 50 -12.595 8.060 -3.241 1.00 0.00 H new ATOM 746 N ASP D 51 -12.657 6.046 -7.469 1.00 0.00 N ATOM 747 CA ASP D 51 -11.941 5.195 -8.422 1.00 0.00 C ATOM 748 C ASP D 51 -10.466 5.521 -8.461 1.00 0.00 C ATOM 749 O ASP D 51 -10.055 6.606 -8.871 1.00 0.00 O ATOM 750 CB ASP D 51 -12.567 5.225 -9.799 1.00 0.00 C ATOM 751 CG ASP D 51 -11.695 4.569 -10.843 1.00 0.00 C ATOM 752 OD1 ASP D 51 -11.373 3.377 -10.683 1.00 0.00 O ATOM 753 OD2 ASP D 51 -11.331 5.243 -11.824 1.00 0.00 O1- ATOM 0 H ASP D 51 -12.143 6.883 -7.195 1.00 0.00 H new ATOM 0 HA ASP D 51 -12.033 4.170 -8.064 1.00 0.00 H new ATOM 0 HB2 ASP D 51 -13.533 4.720 -9.767 1.00 0.00 H new ATOM 0 HB3 ASP D 51 -12.757 6.259 -10.086 1.00 0.00 H new ATOM 758 N LYS D 52 -9.702 4.604 -7.889 1.00 0.00 N ATOM 759 CA LYS D 52 -8.280 4.761 -7.669 1.00 0.00 C ATOM 760 C LYS D 52 -7.576 3.464 -7.987 1.00 0.00 C ATOM 761 O LYS D 52 -7.679 2.504 -7.227 1.00 0.00 O ATOM 762 CB LYS D 52 -7.981 5.134 -6.213 1.00 0.00 C ATOM 763 CG LYS D 52 -8.310 6.567 -5.813 1.00 0.00 C ATOM 764 CD LYS D 52 -9.789 6.913 -5.901 1.00 0.00 C ATOM 765 CE LYS D 52 -10.067 8.298 -5.339 1.00 0.00 C ATOM 766 NZ LYS D 52 -9.347 9.364 -6.090 1.00 0.00 N1+ ATOM 0 H LYS D 52 -10.066 3.710 -7.558 1.00 0.00 H new ATOM 0 HA LYS D 52 -7.925 5.561 -8.318 1.00 0.00 H new ATOM 0 HB2 LYS D 52 -8.538 4.459 -5.563 1.00 0.00 H new ATOM 0 HB3 LYS D 52 -6.922 4.958 -6.023 1.00 0.00 H new ATOM 0 HG2 LYS D 52 -7.969 6.735 -4.792 1.00 0.00 H new ATOM 0 HG3 LYS D 52 -7.750 7.249 -6.453 1.00 0.00 H new ATOM 0 HD2 LYS D 52 -10.114 6.868 -6.940 1.00 0.00 H new ATOM 0 HD3 LYS D 52 -10.371 6.172 -5.353 1.00 0.00 H new ATOM 0 HE2 LYS D 52 -11.139 8.493 -5.372 1.00 0.00 H new ATOM 0 HE3 LYS D 52 -9.769 8.330 -4.291 1.00 0.00 H new ATOM 0 HZ1 LYS D 52 -9.669 10.297 -5.762 1.00 0.00 H new ATOM 0 HZ2 LYS D 52 -8.324 9.273 -5.926 1.00 0.00 H new ATOM 0 HZ3 LYS D 52 -9.545 9.267 -7.106 1.00 0.00 H new ATOM 780 N ASN D 53 -6.836 3.443 -9.074 1.00 0.00 N ATOM 781 CA ASN D 53 -6.086 2.255 -9.430 1.00 0.00 C ATOM 782 C ASN D 53 -4.772 2.226 -8.693 1.00 0.00 C ATOM 783 O ASN D 53 -4.097 3.250 -8.562 1.00 0.00 O ATOM 784 CB ASN D 53 -5.869 2.158 -10.936 1.00 0.00 C ATOM 785 CG ASN D 53 -7.152 1.852 -11.680 1.00 0.00 C ATOM 786 OD1 ASN D 53 -7.144 1.673 -12.898 1.00 0.00 O ATOM 787 ND2 ASN D 53 -8.274 1.815 -10.963 1.00 0.00 N ATOM 0 H ASN D 53 -6.737 4.225 -9.721 1.00 0.00 H new ATOM 0 HA ASN D 53 -6.672 1.386 -9.132 1.00 0.00 H new ATOM 0 HB2 ASN D 53 -5.453 3.097 -11.303 1.00 0.00 H new ATOM 0 HB3 ASN D 53 -5.135 1.380 -11.146 1.00 0.00 H new ATOM 0 HD21 ASN D 53 -9.167 1.633 -11.422 1.00 0.00 H new ATOM 0 HD22 ASN D 53 -8.240 1.968 -9.955 1.00 0.00 H new ATOM 794 N TRP D 54 -4.481 1.090 -8.093 1.00 0.00 N ATOM 795 CA TRP D 54 -3.326 0.977 -7.233 1.00 0.00 C ATOM 796 C TRP D 54 -2.347 -0.073 -7.702 1.00 0.00 C ATOM 797 O TRP D 54 -2.735 -1.090 -8.278 1.00 0.00 O ATOM 798 CB TRP D 54 -3.739 0.646 -5.812 1.00 0.00 C ATOM 799 CG TRP D 54 -3.479 1.768 -4.890 1.00 0.00 C ATOM 800 CD1 TRP D 54 -4.156 2.944 -4.754 1.00 0.00 C ATOM 801 CD2 TRP D 54 -2.372 1.831 -4.027 1.00 0.00 C ATOM 802 NE1 TRP D 54 -3.531 3.724 -3.807 1.00 0.00 N ATOM 803 CE2 TRP D 54 -2.422 3.054 -3.355 1.00 0.00 C ATOM 804 CE3 TRP D 54 -1.344 0.944 -3.756 1.00 0.00 C ATOM 805 CZ2 TRP D 54 -1.459 3.407 -2.424 1.00 0.00 C ATOM 806 CZ3 TRP D 54 -0.405 1.294 -2.838 1.00 0.00 C ATOM 807 CH2 TRP D 54 -0.464 2.518 -2.181 1.00 0.00 C ATOM 0 H TRP D 54 -5.029 0.235 -8.186 1.00 0.00 H new ATOM 0 HA TRP D 54 -2.833 1.949 -7.269 1.00 0.00 H new ATOM 0 HB2 TRP D 54 -4.800 0.396 -5.791 1.00 0.00 H new ATOM 0 HB3 TRP D 54 -3.197 -0.237 -5.472 1.00 0.00 H new ATOM 0 HD1 TRP D 54 -5.044 3.220 -5.303 1.00 0.00 H new ATOM 0 HE1 TRP D 54 -3.840 4.644 -3.494 1.00 0.00 H new ATOM 0 HE3 TRP D 54 -1.289 -0.007 -4.264 1.00 0.00 H new ATOM 0 HZ2 TRP D 54 -1.499 4.356 -1.910 1.00 0.00 H new ATOM 0 HZ3 TRP D 54 0.400 0.610 -2.615 1.00 0.00 H new ATOM 0 HH2 TRP D 54 0.301 2.767 -1.460 1.00 0.00 H new ATOM 818 N GLY D 55 -1.087 0.123 -7.338 1.00 0.00 N ATOM 819 CA GLY D 55 -0.092 -0.875 -7.624 1.00 0.00 C ATOM 820 C GLY D 55 0.971 -0.996 -6.551 1.00 0.00 C ATOM 821 O GLY D 55 1.241 -0.074 -5.783 1.00 0.00 O ATOM 0 H GLY D 55 -0.744 0.952 -6.853 1.00 0.00 H new ATOM 0 HA2 GLY D 55 -0.583 -1.840 -7.748 1.00 0.00 H new ATOM 0 HA3 GLY D 55 0.387 -0.637 -8.573 1.00 0.00 H new ATOM 825 N ILE D 56 1.603 -2.142 -6.585 1.00 0.00 N ATOM 826 CA ILE D 56 2.720 -2.514 -5.725 1.00 0.00 C ATOM 827 C ILE D 56 3.753 -3.138 -6.643 1.00 0.00 C ATOM 828 O ILE D 56 3.429 -4.081 -7.360 1.00 0.00 O ATOM 829 CB ILE D 56 2.269 -3.563 -4.681 1.00 0.00 C ATOM 830 CG1 ILE D 56 1.055 -3.058 -3.899 1.00 0.00 C ATOM 831 CG2 ILE D 56 3.406 -3.894 -3.728 1.00 0.00 C ATOM 832 CD1 ILE D 56 0.454 -4.103 -2.984 1.00 0.00 C ATOM 0 H ILE D 56 1.348 -2.881 -7.240 1.00 0.00 H new ATOM 0 HA ILE D 56 3.110 -1.650 -5.186 1.00 0.00 H new ATOM 0 HB ILE D 56 1.986 -4.471 -5.213 1.00 0.00 H new ATOM 0 HG12 ILE D 56 1.348 -2.192 -3.306 1.00 0.00 H new ATOM 0 HG13 ILE D 56 0.294 -2.720 -4.602 1.00 0.00 H new ATOM 0 HG21 ILE D 56 3.068 -4.633 -3.002 1.00 0.00 H new ATOM 0 HG22 ILE D 56 4.248 -4.297 -4.292 1.00 0.00 H new ATOM 0 HG23 ILE D 56 3.719 -2.989 -3.206 1.00 0.00 H new ATOM 0 HD11 ILE D 56 -0.402 -3.679 -2.460 1.00 0.00 H new ATOM 0 HD12 ILE D 56 0.130 -4.960 -3.574 1.00 0.00 H new ATOM 0 HD13 ILE D 56 1.201 -4.424 -2.258 1.00 0.00 H new ATOM 844 N PHE D 57 4.879 -2.479 -6.829 1.00 0.00 N ATOM 845 CA PHE D 57 5.765 -2.879 -7.910 1.00 0.00 C ATOM 846 C PHE D 57 7.040 -3.497 -7.371 1.00 0.00 C ATOM 847 O PHE D 57 7.955 -2.781 -6.977 1.00 0.00 O ATOM 848 CB PHE D 57 6.126 -1.698 -8.826 1.00 0.00 C ATOM 849 CG PHE D 57 4.949 -0.876 -9.302 1.00 0.00 C ATOM 850 CD1 PHE D 57 4.214 -0.085 -8.426 1.00 0.00 C ATOM 851 CD2 PHE D 57 4.560 -0.916 -10.628 1.00 0.00 C ATOM 852 CE1 PHE D 57 3.136 0.635 -8.857 1.00 0.00 C ATOM 853 CE2 PHE D 57 3.476 -0.180 -11.066 1.00 0.00 C ATOM 854 CZ PHE D 57 2.765 0.593 -10.173 1.00 0.00 C ATOM 0 H PHE D 57 5.198 -1.689 -6.268 1.00 0.00 H new ATOM 0 HA PHE D 57 5.221 -3.620 -8.497 1.00 0.00 H new ATOM 0 HB2 PHE D 57 6.816 -1.043 -8.294 1.00 0.00 H new ATOM 0 HB3 PHE D 57 6.658 -2.082 -9.697 1.00 0.00 H new ATOM 0 HD1 PHE D 57 4.501 -0.039 -7.386 1.00 0.00 H new ATOM 0 HD2 PHE D 57 5.109 -1.528 -11.328 1.00 0.00 H new ATOM 0 HE1 PHE D 57 2.576 1.238 -8.158 1.00 0.00 H new ATOM 0 HE2 PHE D 57 3.186 -0.210 -12.106 1.00 0.00 H new ATOM 0 HZ PHE D 57 1.915 1.166 -10.513 1.00 0.00 H new ATOM 864 N VAL D 58 7.138 -4.814 -7.473 1.00 0.00 N ATOM 865 CA VAL D 58 8.360 -5.523 -7.122 1.00 0.00 C ATOM 866 C VAL D 58 9.277 -5.617 -8.340 1.00 0.00 C ATOM 867 O VAL D 58 8.968 -6.326 -9.300 1.00 0.00 O ATOM 868 CB VAL D 58 8.066 -6.941 -6.583 1.00 0.00 C ATOM 869 CG1 VAL D 58 9.352 -7.694 -6.295 1.00 0.00 C ATOM 870 CG2 VAL D 58 7.220 -6.866 -5.326 1.00 0.00 C ATOM 0 H VAL D 58 6.382 -5.416 -7.798 1.00 0.00 H new ATOM 0 HA VAL D 58 8.853 -4.958 -6.331 1.00 0.00 H new ATOM 0 HB VAL D 58 7.515 -7.482 -7.352 1.00 0.00 H new ATOM 0 HG11 VAL D 58 9.115 -8.688 -5.917 1.00 0.00 H new ATOM 0 HG12 VAL D 58 9.934 -7.784 -7.212 1.00 0.00 H new ATOM 0 HG13 VAL D 58 9.932 -7.151 -5.549 1.00 0.00 H new ATOM 0 HG21 VAL D 58 7.022 -7.873 -4.960 1.00 0.00 H new ATOM 0 HG22 VAL D 58 7.753 -6.300 -4.562 1.00 0.00 H new ATOM 0 HG23 VAL D 58 6.276 -6.370 -5.552 1.00 0.00 H new ATOM 880 N ASN D 59 10.372 -4.858 -8.310 1.00 0.00 N ATOM 881 CA ASN D 59 11.328 -4.793 -9.424 1.00 0.00 C ATOM 882 C ASN D 59 10.665 -4.276 -10.694 1.00 0.00 C ATOM 883 O ASN D 59 10.756 -4.904 -11.752 1.00 0.00 O ATOM 884 CB ASN D 59 11.966 -6.163 -9.699 1.00 0.00 C ATOM 885 CG ASN D 59 12.776 -6.679 -8.528 1.00 0.00 C ATOM 886 OD1 ASN D 59 13.712 -6.025 -8.075 1.00 0.00 O ATOM 887 ND2 ASN D 59 12.432 -7.861 -8.043 1.00 0.00 N ATOM 0 H ASN D 59 10.625 -4.270 -7.516 1.00 0.00 H new ATOM 0 HA ASN D 59 12.111 -4.096 -9.126 1.00 0.00 H new ATOM 0 HB2 ASN D 59 11.183 -6.882 -9.938 1.00 0.00 H new ATOM 0 HB3 ASN D 59 12.609 -6.090 -10.576 1.00 0.00 H new ATOM 0 HD21 ASN D 59 12.951 -8.263 -7.263 1.00 0.00 H new ATOM 0 HD22 ASN D 59 11.647 -8.370 -8.450 1.00 0.00 H new ATOM 894 N GLY D 60 9.996 -3.130 -10.584 1.00 0.00 N ATOM 895 CA GLY D 60 9.315 -2.547 -11.725 1.00 0.00 C ATOM 896 C GLY D 60 8.290 -3.485 -12.322 1.00 0.00 C ATOM 897 O GLY D 60 8.268 -3.715 -13.531 1.00 0.00 O ATOM 0 H GLY D 60 9.914 -2.594 -9.720 1.00 0.00 H new ATOM 0 HA2 GLY D 60 8.824 -1.623 -11.419 1.00 0.00 H new ATOM 0 HA3 GLY D 60 10.048 -2.282 -12.486 1.00 0.00 H new ATOM 901 N GLU D 61 7.479 -4.060 -11.453 1.00 0.00 N ATOM 902 CA GLU D 61 6.471 -5.032 -11.850 1.00 0.00 C ATOM 903 C GLU D 61 5.304 -4.994 -10.877 1.00 0.00 C ATOM 904 O GLU D 61 5.494 -5.185 -9.678 1.00 0.00 O ATOM 905 CB GLU D 61 7.081 -6.438 -11.862 1.00 0.00 C ATOM 906 CG GLU D 61 6.104 -7.552 -12.216 1.00 0.00 C ATOM 907 CD GLU D 61 5.581 -7.458 -13.630 1.00 0.00 C ATOM 908 OE1 GLU D 61 4.931 -6.448 -13.964 1.00 0.00 O ATOM 909 OE2 GLU D 61 5.829 -8.392 -14.412 1.00 0.00 O1- ATOM 0 H GLU D 61 7.499 -3.868 -10.451 1.00 0.00 H new ATOM 0 HA GLU D 61 6.115 -4.784 -12.850 1.00 0.00 H new ATOM 0 HB2 GLU D 61 7.905 -6.456 -12.575 1.00 0.00 H new ATOM 0 HB3 GLU D 61 7.505 -6.644 -10.879 1.00 0.00 H new ATOM 0 HG2 GLU D 61 6.597 -8.515 -12.081 1.00 0.00 H new ATOM 0 HG3 GLU D 61 5.264 -7.524 -11.522 1.00 0.00 H new ATOM 916 N LYS D 62 4.096 -4.803 -11.388 1.00 0.00 N ATOM 917 CA LYS D 62 2.920 -4.816 -10.534 1.00 0.00 C ATOM 918 C LYS D 62 2.689 -6.216 -9.991 1.00 0.00 C ATOM 919 O LYS D 62 2.279 -7.121 -10.719 1.00 0.00 O ATOM 920 CB LYS D 62 1.677 -4.343 -11.286 1.00 0.00 C ATOM 921 CG LYS D 62 1.775 -2.910 -11.774 1.00 0.00 C ATOM 922 CD LYS D 62 0.495 -2.466 -12.467 1.00 0.00 C ATOM 923 CE LYS D 62 0.200 -3.311 -13.698 1.00 0.00 C ATOM 924 NZ LYS D 62 -1.062 -2.900 -14.369 1.00 0.00 N1+ ATOM 0 H LYS D 62 3.907 -4.639 -12.377 1.00 0.00 H new ATOM 0 HA LYS D 62 3.099 -4.127 -9.709 1.00 0.00 H new ATOM 0 HB2 LYS D 62 1.507 -4.999 -12.140 1.00 0.00 H new ATOM 0 HB3 LYS D 62 0.809 -4.438 -10.634 1.00 0.00 H new ATOM 0 HG2 LYS D 62 1.980 -2.251 -10.930 1.00 0.00 H new ATOM 0 HG3 LYS D 62 2.614 -2.816 -12.463 1.00 0.00 H new ATOM 0 HD2 LYS D 62 -0.340 -2.535 -11.769 1.00 0.00 H new ATOM 0 HD3 LYS D 62 0.582 -1.419 -12.757 1.00 0.00 H new ATOM 0 HE2 LYS D 62 1.028 -3.227 -14.402 1.00 0.00 H new ATOM 0 HE3 LYS D 62 0.132 -4.360 -13.409 1.00 0.00 H new ATOM 0 HZ1 LYS D 62 -1.224 -3.501 -15.202 1.00 0.00 H new ATOM 0 HZ2 LYS D 62 -1.857 -3.004 -13.707 1.00 0.00 H new ATOM 0 HZ3 LYS D 62 -0.988 -1.907 -14.668 1.00 0.00 H new ATOM 938 N VAL D 63 2.996 -6.395 -8.720 1.00 0.00 N ATOM 939 CA VAL D 63 2.865 -7.689 -8.085 1.00 0.00 C ATOM 940 C VAL D 63 1.444 -7.875 -7.555 1.00 0.00 C ATOM 941 O VAL D 63 0.962 -8.997 -7.413 1.00 0.00 O ATOM 942 CB VAL D 63 3.903 -7.856 -6.964 1.00 0.00 C ATOM 943 CG1 VAL D 63 3.682 -6.861 -5.837 1.00 0.00 C ATOM 944 CG2 VAL D 63 3.935 -9.279 -6.437 1.00 0.00 C ATOM 0 H VAL D 63 3.339 -5.656 -8.106 1.00 0.00 H new ATOM 0 HA VAL D 63 3.056 -8.463 -8.828 1.00 0.00 H new ATOM 0 HB VAL D 63 4.878 -7.644 -7.402 1.00 0.00 H new ATOM 0 HG11 VAL D 63 4.436 -7.012 -5.065 1.00 0.00 H new ATOM 0 HG12 VAL D 63 3.760 -5.846 -6.227 1.00 0.00 H new ATOM 0 HG13 VAL D 63 2.690 -7.010 -5.410 1.00 0.00 H new ATOM 0 HG21 VAL D 63 4.681 -9.357 -5.646 1.00 0.00 H new ATOM 0 HG22 VAL D 63 2.955 -9.542 -6.039 1.00 0.00 H new ATOM 0 HG23 VAL D 63 4.192 -9.961 -7.247 1.00 0.00 H new ATOM 954 N TYR D 64 0.753 -6.758 -7.339 1.00 0.00 N ATOM 955 CA TYR D 64 -0.637 -6.786 -6.908 1.00 0.00 C ATOM 956 C TYR D 64 -1.334 -5.477 -7.278 1.00 0.00 C ATOM 957 O TYR D 64 -0.801 -4.395 -7.023 1.00 0.00 O ATOM 958 CB TYR D 64 -0.725 -6.997 -5.396 1.00 0.00 C ATOM 959 CG TYR D 64 -2.142 -7.201 -4.909 1.00 0.00 C ATOM 960 CD1 TYR D 64 -2.935 -8.210 -5.443 1.00 0.00 C ATOM 961 CD2 TYR D 64 -2.693 -6.382 -3.935 1.00 0.00 C ATOM 962 CE1 TYR D 64 -4.235 -8.396 -5.016 1.00 0.00 C ATOM 963 CE2 TYR D 64 -3.989 -6.564 -3.506 1.00 0.00 C ATOM 964 CZ TYR D 64 -4.755 -7.569 -4.047 1.00 0.00 C ATOM 965 OH TYR D 64 -6.046 -7.748 -3.613 1.00 0.00 O ATOM 0 H TYR D 64 1.137 -5.821 -7.457 1.00 0.00 H new ATOM 0 HA TYR D 64 -1.133 -7.614 -7.414 1.00 0.00 H new ATOM 0 HB2 TYR D 64 -0.124 -7.863 -5.120 1.00 0.00 H new ATOM 0 HB3 TYR D 64 -0.293 -6.134 -4.889 1.00 0.00 H new ATOM 0 HD1 TYR D 64 -2.528 -8.859 -6.204 1.00 0.00 H new ATOM 0 HD2 TYR D 64 -2.097 -5.590 -3.507 1.00 0.00 H new ATOM 0 HE1 TYR D 64 -4.839 -9.185 -5.439 1.00 0.00 H new ATOM 0 HE2 TYR D 64 -4.403 -5.918 -2.746 1.00 0.00 H new ATOM 0 HH TYR D 64 -6.061 -7.778 -2.634 1.00 0.00 H new ATOM 975 N THR D 65 -2.544 -5.574 -7.820 1.00 0.00 N ATOM 976 CA THR D 65 -3.330 -4.391 -8.148 1.00 0.00 C ATOM 977 C THR D 65 -4.653 -4.394 -7.390 1.00 0.00 C ATOM 978 O THR D 65 -5.509 -5.250 -7.621 1.00 0.00 O ATOM 979 CB THR D 65 -3.588 -4.308 -9.637 1.00 0.00 C ATOM 980 OG1 THR D 65 -2.368 -4.309 -10.364 1.00 0.00 O ATOM 981 CG2 THR D 65 -4.380 -3.077 -10.063 1.00 0.00 C ATOM 0 H THR D 65 -3.001 -6.459 -8.041 1.00 0.00 H new ATOM 0 HA THR D 65 -2.755 -3.516 -7.846 1.00 0.00 H new ATOM 0 HB THR D 65 -4.187 -5.190 -9.863 1.00 0.00 H new ATOM 0 HG1 THR D 65 -2.559 -4.256 -11.324 1.00 0.00 H new ATOM 0 HG21 THR D 65 -4.522 -3.092 -11.144 1.00 0.00 H new ATOM 0 HG22 THR D 65 -5.352 -3.080 -9.569 1.00 0.00 H new ATOM 0 HG23 THR D 65 -3.833 -2.177 -9.782 1.00 0.00 H new ATOM 989 N PHE D 66 -4.864 -3.364 -6.588 1.00 0.00 N ATOM 990 CA PHE D 66 -6.140 -3.165 -5.915 1.00 0.00 C ATOM 991 C PHE D 66 -6.635 -1.771 -6.215 1.00 0.00 C ATOM 992 O PHE D 66 -5.918 -0.969 -6.799 1.00 0.00 O ATOM 993 CB PHE D 66 -6.024 -3.426 -4.408 1.00 0.00 C ATOM 994 CG PHE D 66 -5.079 -2.537 -3.633 1.00 0.00 C ATOM 995 CD1 PHE D 66 -5.424 -1.231 -3.316 1.00 0.00 C ATOM 996 CD2 PHE D 66 -3.849 -3.018 -3.206 1.00 0.00 C ATOM 997 CE1 PHE D 66 -4.565 -0.428 -2.589 1.00 0.00 C ATOM 998 CE2 PHE D 66 -2.984 -2.216 -2.481 1.00 0.00 C ATOM 999 CZ PHE D 66 -3.343 -0.920 -2.171 1.00 0.00 C ATOM 0 H PHE D 66 -4.166 -2.649 -6.385 1.00 0.00 H new ATOM 0 HA PHE D 66 -6.868 -3.884 -6.290 1.00 0.00 H new ATOM 0 HB2 PHE D 66 -7.017 -3.330 -3.969 1.00 0.00 H new ATOM 0 HB3 PHE D 66 -5.711 -4.460 -4.266 1.00 0.00 H new ATOM 0 HD1 PHE D 66 -6.375 -0.837 -3.641 1.00 0.00 H new ATOM 0 HD2 PHE D 66 -3.563 -4.032 -3.443 1.00 0.00 H new ATOM 0 HE1 PHE D 66 -4.849 0.585 -2.347 1.00 0.00 H new ATOM 0 HE2 PHE D 66 -2.029 -2.604 -2.158 1.00 0.00 H new ATOM 0 HZ PHE D 66 -2.671 -0.293 -1.604 1.00 0.00 H new ATOM 1009 N ASN D 67 -7.854 -1.480 -5.838 1.00 0.00 N ATOM 1010 CA ASN D 67 -8.413 -0.166 -6.085 1.00 0.00 C ATOM 1011 C ASN D 67 -8.998 0.354 -4.799 1.00 0.00 C ATOM 1012 O ASN D 67 -9.419 -0.437 -3.969 1.00 0.00 O ATOM 1013 CB ASN D 67 -9.493 -0.226 -7.169 1.00 0.00 C ATOM 1014 CG ASN D 67 -8.967 -0.765 -8.481 1.00 0.00 C ATOM 1015 OD1 ASN D 67 -8.028 -0.220 -9.055 1.00 0.00 O ATOM 1016 ND2 ASN D 67 -9.574 -1.838 -8.967 1.00 0.00 N ATOM 0 H ASN D 67 -8.480 -2.129 -5.361 1.00 0.00 H new ATOM 0 HA ASN D 67 -7.626 0.501 -6.437 1.00 0.00 H new ATOM 0 HB2 ASN D 67 -10.314 -0.855 -6.825 1.00 0.00 H new ATOM 0 HB3 ASN D 67 -9.900 0.773 -7.327 1.00 0.00 H new ATOM 0 HD21 ASN D 67 -9.265 -2.243 -9.851 1.00 0.00 H new ATOM 0 HD22 ASN D 67 -10.351 -2.259 -8.457 1.00 0.00 H new ATOM 1023 N GLU D 68 -9.057 1.667 -4.628 1.00 0.00 N ATOM 1024 CA GLU D 68 -9.646 2.211 -3.413 1.00 0.00 C ATOM 1025 C GLU D 68 -11.166 2.124 -3.485 1.00 0.00 C ATOM 1026 O GLU D 68 -11.851 2.194 -2.464 1.00 0.00 O ATOM 1027 CB GLU D 68 -9.195 3.644 -3.141 1.00 0.00 C ATOM 1028 CG GLU D 68 -7.686 3.830 -3.120 1.00 0.00 C ATOM 1029 CD GLU D 68 -7.266 5.160 -2.517 1.00 0.00 C ATOM 1030 OE1 GLU D 68 -7.720 6.212 -3.004 1.00 0.00 O ATOM 1031 OE2 GLU D 68 -6.479 5.149 -1.553 1.00 0.00 O1- ATOM 0 H GLU D 68 -8.715 2.359 -5.295 1.00 0.00 H new ATOM 0 HA GLU D 68 -9.293 1.608 -2.577 1.00 0.00 H new ATOM 0 HB2 GLU D 68 -9.620 4.297 -3.903 1.00 0.00 H new ATOM 0 HB3 GLU D 68 -9.603 3.965 -2.183 1.00 0.00 H new ATOM 0 HG2 GLU D 68 -7.232 3.019 -2.551 1.00 0.00 H new ATOM 0 HG3 GLU D 68 -7.301 3.760 -4.137 1.00 0.00 H new ATOM 1038 N LYS D 69 -11.655 1.751 -4.667 1.00 0.00 N ATOM 1039 CA LYS D 69 -13.055 1.389 -4.832 1.00 0.00 C ATOM 1040 C LYS D 69 -13.271 0.083 -4.117 1.00 0.00 C ATOM 1041 O LYS D 69 -14.106 -0.033 -3.220 1.00 0.00 O ATOM 1042 CB LYS D 69 -13.385 1.171 -6.299 1.00 0.00 C ATOM 1043 CG LYS D 69 -12.994 2.317 -7.172 1.00 0.00 C ATOM 1044 CD LYS D 69 -13.401 2.072 -8.616 1.00 0.00 C ATOM 1045 CE LYS D 69 -14.914 1.964 -8.753 1.00 0.00 C ATOM 1046 NZ LYS D 69 -15.339 1.759 -10.162 1.00 0.00 N1+ ATOM 0 H LYS D 69 -11.100 1.693 -5.521 1.00 0.00 H new ATOM 0 HA LYS D 69 -13.684 2.187 -4.438 1.00 0.00 H new ATOM 0 HB2 LYS D 69 -12.880 0.270 -6.647 1.00 0.00 H new ATOM 0 HB3 LYS D 69 -14.456 0.996 -6.401 1.00 0.00 H new ATOM 0 HG2 LYS D 69 -13.464 3.231 -6.809 1.00 0.00 H new ATOM 0 HG3 LYS D 69 -11.916 2.469 -7.116 1.00 0.00 H new ATOM 0 HD2 LYS D 69 -13.034 2.885 -9.243 1.00 0.00 H new ATOM 0 HD3 LYS D 69 -12.935 1.155 -8.977 1.00 0.00 H new ATOM 0 HE2 LYS D 69 -15.274 1.135 -8.143 1.00 0.00 H new ATOM 0 HE3 LYS D 69 -15.378 2.871 -8.364 1.00 0.00 H new ATOM 0 HZ1 LYS D 69 -16.376 1.691 -10.206 1.00 0.00 H new ATOM 0 HZ2 LYS D 69 -15.020 2.562 -10.741 1.00 0.00 H new ATOM 0 HZ3 LYS D 69 -14.919 0.880 -10.527 1.00 0.00 H new ATOM 1060 N SER D 70 -12.388 -0.851 -4.441 1.00 0.00 N ATOM 1061 CA SER D 70 -12.329 -2.110 -3.756 1.00 0.00 C ATOM 1062 C SER D 70 -12.000 -1.830 -2.309 1.00 0.00 C ATOM 1063 O SER D 70 -11.037 -1.129 -2.007 1.00 0.00 O ATOM 1064 CB SER D 70 -11.278 -3.021 -4.380 1.00 0.00 C ATOM 1065 OG SER D 70 -11.379 -4.339 -3.867 1.00 0.00 O ATOM 0 H SER D 70 -11.699 -0.746 -5.186 1.00 0.00 H new ATOM 0 HA SER D 70 -13.287 -2.625 -3.835 1.00 0.00 H new ATOM 0 HB2 SER D 70 -11.403 -3.038 -5.463 1.00 0.00 H new ATOM 0 HB3 SER D 70 -10.283 -2.624 -4.180 1.00 0.00 H new ATOM 0 HG SER D 70 -11.402 -4.978 -4.610 1.00 0.00 H new ATOM 1071 N THR D 71 -12.882 -2.241 -1.438 1.00 0.00 N ATOM 1072 CA THR D 71 -12.777 -1.908 -0.046 1.00 0.00 C ATOM 1073 C THR D 71 -11.421 -2.307 0.506 1.00 0.00 C ATOM 1074 O THR D 71 -11.092 -3.495 0.556 1.00 0.00 O ATOM 1075 CB THR D 71 -13.897 -2.593 0.697 1.00 0.00 C ATOM 1076 OG1 THR D 71 -13.804 -4.001 0.572 1.00 0.00 O ATOM 1077 CG2 THR D 71 -15.262 -2.182 0.189 1.00 0.00 C ATOM 0 H THR D 71 -13.691 -2.815 -1.674 1.00 0.00 H new ATOM 0 HA THR D 71 -12.866 -0.829 0.083 1.00 0.00 H new ATOM 0 HB THR D 71 -13.790 -2.288 1.738 1.00 0.00 H new ATOM 0 HG1 THR D 71 -13.998 -4.420 1.436 1.00 0.00 H new ATOM 0 HG21 THR D 71 -16.033 -2.703 0.756 1.00 0.00 H new ATOM 0 HG22 THR D 71 -15.387 -1.106 0.310 1.00 0.00 H new ATOM 0 HG23 THR D 71 -15.351 -2.441 -0.866 1.00 0.00 H new ATOM 1085 N VAL D 72 -10.624 -1.305 0.895 1.00 0.00 N ATOM 1086 CA VAL D 72 -9.307 -1.542 1.427 1.00 0.00 C ATOM 1087 C VAL D 72 -9.354 -2.576 2.536 1.00 0.00 C ATOM 1088 O VAL D 72 -8.403 -3.317 2.738 1.00 0.00 O ATOM 1089 CB VAL D 72 -8.596 -0.245 1.906 1.00 0.00 C ATOM 1090 CG1 VAL D 72 -7.405 0.019 1.002 1.00 0.00 C ATOM 1091 CG2 VAL D 72 -9.525 0.973 1.861 1.00 0.00 C ATOM 0 H VAL D 72 -10.885 -0.320 0.845 1.00 0.00 H new ATOM 0 HA VAL D 72 -8.707 -1.932 0.604 1.00 0.00 H new ATOM 0 HB VAL D 72 -8.286 -0.394 2.940 1.00 0.00 H new ATOM 0 HG11 VAL D 72 -6.896 0.927 1.326 1.00 0.00 H new ATOM 0 HG12 VAL D 72 -6.714 -0.823 1.055 1.00 0.00 H new ATOM 0 HG13 VAL D 72 -7.748 0.143 -0.025 1.00 0.00 H new ATOM 0 HG21 VAL D 72 -8.985 1.855 2.204 1.00 0.00 H new ATOM 0 HG22 VAL D 72 -9.867 1.132 0.838 1.00 0.00 H new ATOM 0 HG23 VAL D 72 -10.385 0.799 2.508 1.00 0.00 H new ATOM 1101 N GLY D 73 -10.525 -2.715 3.145 1.00 0.00 N ATOM 1102 CA GLY D 73 -10.755 -3.755 4.115 1.00 0.00 C ATOM 1103 C GLY D 73 -10.533 -5.144 3.575 1.00 0.00 C ATOM 1104 O GLY D 73 -9.627 -5.852 4.013 1.00 0.00 O ATOM 0 H GLY D 73 -11.330 -2.111 2.976 1.00 0.00 H new ATOM 0 HA2 GLY D 73 -10.096 -3.596 4.968 1.00 0.00 H new ATOM 0 HA3 GLY D 73 -11.778 -3.677 4.483 1.00 0.00 H new ATOM 1108 N ASN D 74 -11.390 -5.544 2.644 1.00 0.00 N ATOM 1109 CA ASN D 74 -11.330 -6.878 2.057 1.00 0.00 C ATOM 1110 C ASN D 74 -10.036 -7.073 1.297 1.00 0.00 C ATOM 1111 O ASN D 74 -9.561 -8.193 1.143 1.00 0.00 O ATOM 1112 CB ASN D 74 -12.521 -7.111 1.116 1.00 0.00 C ATOM 1113 CG ASN D 74 -13.865 -7.008 1.820 1.00 0.00 C ATOM 1114 OD1 ASN D 74 -14.180 -5.986 2.437 1.00 0.00 O ATOM 1115 ND2 ASN D 74 -14.685 -8.045 1.699 1.00 0.00 N ATOM 0 H ASN D 74 -12.140 -4.959 2.277 1.00 0.00 H new ATOM 0 HA ASN D 74 -11.374 -7.602 2.871 1.00 0.00 H new ATOM 0 HB2 ASN D 74 -12.485 -6.382 0.306 1.00 0.00 H new ATOM 0 HB3 ASN D 74 -12.430 -8.098 0.662 1.00 0.00 H new ATOM 0 HD21 ASN D 74 -15.612 -8.015 2.124 1.00 0.00 H new ATOM 0 HD22 ASN D 74 -14.388 -8.872 1.181 1.00 0.00 H new ATOM 1122 N ILE D 75 -9.448 -5.974 0.859 1.00 0.00 N ATOM 1123 CA ILE D 75 -8.182 -6.032 0.147 1.00 0.00 C ATOM 1124 C ILE D 75 -7.014 -6.223 1.098 1.00 0.00 C ATOM 1125 O ILE D 75 -6.080 -6.953 0.798 1.00 0.00 O ATOM 1126 CB ILE D 75 -7.969 -4.772 -0.683 1.00 0.00 C ATOM 1127 CG1 ILE D 75 -9.029 -4.699 -1.791 1.00 0.00 C ATOM 1128 CG2 ILE D 75 -6.568 -4.727 -1.266 1.00 0.00 C ATOM 1129 CD1 ILE D 75 -9.010 -5.909 -2.704 1.00 0.00 C ATOM 0 H ILE D 75 -9.824 -5.034 0.983 1.00 0.00 H new ATOM 0 HA ILE D 75 -8.226 -6.894 -0.518 1.00 0.00 H new ATOM 0 HB ILE D 75 -8.076 -3.904 -0.033 1.00 0.00 H new ATOM 0 HG12 ILE D 75 -10.016 -4.607 -1.338 1.00 0.00 H new ATOM 0 HG13 ILE D 75 -8.866 -3.799 -2.384 1.00 0.00 H new ATOM 0 HG21 ILE D 75 -6.447 -3.816 -1.853 1.00 0.00 H new ATOM 0 HG22 ILE D 75 -5.837 -4.737 -0.458 1.00 0.00 H new ATOM 0 HG23 ILE D 75 -6.413 -5.595 -1.907 1.00 0.00 H new ATOM 0 HD11 ILE D 75 -9.781 -5.801 -3.467 1.00 0.00 H new ATOM 0 HD12 ILE D 75 -8.034 -5.988 -3.183 1.00 0.00 H new ATOM 0 HD13 ILE D 75 -9.202 -6.809 -2.120 1.00 0.00 H new ATOM 1141 N SER D 76 -7.064 -5.574 2.245 1.00 0.00 N ATOM 1142 CA SER D 76 -5.988 -5.710 3.219 1.00 0.00 C ATOM 1143 C SER D 76 -6.079 -7.033 3.946 1.00 0.00 C ATOM 1144 O SER D 76 -5.050 -7.600 4.301 1.00 0.00 O ATOM 1145 CB SER D 76 -5.968 -4.545 4.198 1.00 0.00 C ATOM 1146 OG SER D 76 -4.982 -4.719 5.202 1.00 0.00 O ATOM 0 H SER D 76 -7.824 -4.955 2.527 1.00 0.00 H new ATOM 0 HA SER D 76 -5.045 -5.691 2.672 1.00 0.00 H new ATOM 0 HB2 SER D 76 -5.776 -3.618 3.657 1.00 0.00 H new ATOM 0 HB3 SER D 76 -6.948 -4.445 4.664 1.00 0.00 H new ATOM 0 HG SER D 76 -4.997 -3.952 5.812 1.00 0.00 H new ATOM 1152 N ASN D 77 -7.255 -7.647 3.923 1.00 0.00 N ATOM 1153 CA ASN D 77 -7.341 -9.038 4.327 1.00 0.00 C ATOM 1154 C ASN D 77 -6.519 -9.870 3.360 1.00 0.00 C ATOM 1155 O ASN D 77 -5.853 -10.819 3.767 1.00 0.00 O ATOM 1156 CB ASN D 77 -8.786 -9.544 4.375 1.00 0.00 C ATOM 1157 CG ASN D 77 -9.588 -8.918 5.499 1.00 0.00 C ATOM 1158 OD1 ASN D 77 -9.207 -9.003 6.667 1.00 0.00 O ATOM 1159 ND2 ASN D 77 -10.718 -8.315 5.162 1.00 0.00 N ATOM 0 H ASN D 77 -8.135 -7.218 3.638 1.00 0.00 H new ATOM 0 HA ASN D 77 -6.949 -9.130 5.340 1.00 0.00 H new ATOM 0 HB2 ASN D 77 -9.273 -9.330 3.424 1.00 0.00 H new ATOM 0 HB3 ASN D 77 -8.784 -10.627 4.496 1.00 0.00 H new ATOM 0 HD21 ASN D 77 -11.309 -7.899 5.882 1.00 0.00 H new ATOM 0 HD22 ASN D 77 -10.998 -8.266 4.182 1.00 0.00 H new ATOM 1166 N ASP D 78 -6.479 -9.420 2.101 1.00 0.00 N ATOM 1167 CA ASP D 78 -5.627 -10.039 1.084 1.00 0.00 C ATOM 1168 C ASP D 78 -4.165 -9.605 1.187 1.00 0.00 C ATOM 1169 O ASP D 78 -3.283 -10.316 0.716 1.00 0.00 O ATOM 1170 CB ASP D 78 -6.142 -9.763 -0.335 1.00 0.00 C ATOM 1171 CG ASP D 78 -7.387 -10.550 -0.670 1.00 0.00 C ATOM 1172 OD1 ASP D 78 -8.405 -10.389 0.021 1.00 0.00 O ATOM 1173 OD2 ASP D 78 -7.345 -11.342 -1.629 1.00 0.00 O1- ATOM 0 H ASP D 78 -7.028 -8.629 1.764 1.00 0.00 H new ATOM 0 HA ASP D 78 -5.674 -11.110 1.280 1.00 0.00 H new ATOM 0 HB2 ASP D 78 -6.352 -8.698 -0.440 1.00 0.00 H new ATOM 0 HB3 ASP D 78 -5.360 -10.006 -1.054 1.00 0.00 H new ATOM 1178 N ILE D 79 -3.893 -8.438 1.751 1.00 0.00 N ATOM 1179 CA ILE D 79 -2.511 -7.970 1.821 1.00 0.00 C ATOM 1180 C ILE D 79 -1.710 -8.833 2.792 1.00 0.00 C ATOM 1181 O ILE D 79 -0.493 -8.954 2.670 1.00 0.00 O ATOM 1182 CB ILE D 79 -2.390 -6.479 2.251 1.00 0.00 C ATOM 1183 CG1 ILE D 79 -3.314 -5.588 1.429 1.00 0.00 C ATOM 1184 CG2 ILE D 79 -0.959 -6.004 2.048 1.00 0.00 C ATOM 1185 CD1 ILE D 79 -2.936 -5.502 -0.030 1.00 0.00 C ATOM 0 H ILE D 79 -4.587 -7.810 2.157 1.00 0.00 H new ATOM 0 HA ILE D 79 -2.110 -8.054 0.811 1.00 0.00 H new ATOM 0 HB ILE D 79 -2.674 -6.411 3.301 1.00 0.00 H new ATOM 0 HG12 ILE D 79 -4.334 -5.965 1.509 1.00 0.00 H new ATOM 0 HG13 ILE D 79 -3.311 -4.585 1.856 1.00 0.00 H new ATOM 0 HG21 ILE D 79 -0.876 -4.960 2.350 1.00 0.00 H new ATOM 0 HG22 ILE D 79 -0.285 -6.611 2.652 1.00 0.00 H new ATOM 0 HG23 ILE D 79 -0.689 -6.100 0.996 1.00 0.00 H new ATOM 0 HD11 ILE D 79 -3.639 -4.851 -0.550 1.00 0.00 H new ATOM 0 HD12 ILE D 79 -1.929 -5.096 -0.122 1.00 0.00 H new ATOM 0 HD13 ILE D 79 -2.967 -6.497 -0.473 1.00 0.00 H new ATOM 1197 N ASN D 80 -2.398 -9.445 3.745 1.00 0.00 N ATOM 1198 CA ASN D 80 -1.746 -10.301 4.714 1.00 0.00 C ATOM 1199 C ASN D 80 -1.310 -11.624 4.099 1.00 0.00 C ATOM 1200 O ASN D 80 -0.235 -12.127 4.423 1.00 0.00 O ATOM 1201 CB ASN D 80 -2.655 -10.539 5.912 1.00 0.00 C ATOM 1202 CG ASN D 80 -2.859 -9.285 6.740 1.00 0.00 C ATOM 1203 OD1 ASN D 80 -3.410 -8.299 6.269 1.00 0.00 O ATOM 1204 ND2 ASN D 80 -2.388 -9.306 7.974 1.00 0.00 N ATOM 0 H ASN D 80 -3.408 -9.362 3.864 1.00 0.00 H new ATOM 0 HA ASN D 80 -0.846 -9.788 5.053 1.00 0.00 H new ATOM 0 HB2 ASN D 80 -3.622 -10.903 5.565 1.00 0.00 H new ATOM 0 HB3 ASN D 80 -2.227 -11.320 6.540 1.00 0.00 H new ATOM 0 HD21 ASN D 80 -2.478 -8.482 8.568 1.00 0.00 H new ATOM 0 HD22 ASN D 80 -1.935 -10.146 8.333 1.00 0.00 H new ATOM 1211 N LYS D 81 -2.072 -12.137 3.133 1.00 0.00 N ATOM 1212 CA LYS D 81 -1.639 -13.333 2.421 1.00 0.00 C ATOM 1213 C LYS D 81 -0.574 -12.995 1.384 1.00 0.00 C ATOM 1214 O LYS D 81 0.564 -13.438 1.509 1.00 0.00 O ATOM 1215 CB LYS D 81 -2.795 -14.105 1.776 1.00 0.00 C ATOM 1216 CG LYS D 81 -3.835 -13.251 1.088 1.00 0.00 C ATOM 1217 CD LYS D 81 -4.991 -12.949 2.018 1.00 0.00 C ATOM 1218 CE LYS D 81 -5.690 -14.219 2.482 1.00 0.00 C ATOM 1219 NZ LYS D 81 -6.858 -13.927 3.354 1.00 0.00 N1+ ATOM 0 H LYS D 81 -2.968 -11.754 2.833 1.00 0.00 H new ATOM 0 HA LYS D 81 -1.206 -13.993 3.173 1.00 0.00 H new ATOM 0 HB2 LYS D 81 -2.383 -14.804 1.048 1.00 0.00 H new ATOM 0 HB3 LYS D 81 -3.288 -14.700 2.545 1.00 0.00 H new ATOM 0 HG2 LYS D 81 -3.381 -12.319 0.752 1.00 0.00 H new ATOM 0 HG3 LYS D 81 -4.203 -13.765 0.200 1.00 0.00 H new ATOM 0 HD2 LYS D 81 -4.626 -12.398 2.885 1.00 0.00 H new ATOM 0 HD3 LYS D 81 -5.708 -12.305 1.509 1.00 0.00 H new ATOM 0 HE2 LYS D 81 -6.020 -14.789 1.613 1.00 0.00 H new ATOM 0 HE3 LYS D 81 -4.981 -14.845 3.024 1.00 0.00 H new ATOM 0 HZ1 LYS D 81 -6.833 -14.549 4.187 1.00 0.00 H new ATOM 0 HZ2 LYS D 81 -6.822 -12.934 3.662 1.00 0.00 H new ATOM 0 HZ3 LYS D 81 -7.737 -14.093 2.824 1.00 0.00 H new ATOM 1233 N LEU D 82 -0.922 -12.151 0.406 1.00 0.00 N ATOM 1234 CA LEU D 82 0.029 -11.690 -0.598 1.00 0.00 C ATOM 1235 C LEU D 82 1.333 -11.198 0.031 1.00 0.00 C ATOM 1236 O LEU D 82 2.402 -11.382 -0.551 1.00 0.00 O ATOM 1237 CB LEU D 82 -0.603 -10.588 -1.426 1.00 0.00 C ATOM 1238 CG LEU D 82 -1.620 -11.065 -2.463 1.00 0.00 C ATOM 1239 CD1 LEU D 82 -0.951 -11.923 -3.523 1.00 0.00 C ATOM 1240 CD2 LEU D 82 -2.780 -11.825 -1.842 1.00 0.00 C ATOM 0 H LEU D 82 -1.863 -11.774 0.293 1.00 0.00 H new ATOM 0 HA LEU D 82 0.279 -12.536 -1.238 1.00 0.00 H new ATOM 0 HB2 LEU D 82 -1.094 -9.884 -0.754 1.00 0.00 H new ATOM 0 HB3 LEU D 82 0.187 -10.040 -1.939 1.00 0.00 H new ATOM 0 HG LEU D 82 -2.028 -10.167 -2.927 1.00 0.00 H new ATOM 0 HD11 LEU D 82 -1.695 -12.250 -4.249 1.00 0.00 H new ATOM 0 HD12 LEU D 82 -0.181 -11.341 -4.029 1.00 0.00 H new ATOM 0 HD13 LEU D 82 -0.496 -12.794 -3.052 1.00 0.00 H new ATOM 0 HD21 LEU D 82 -3.470 -12.139 -2.625 1.00 0.00 H new ATOM 0 HD22 LEU D 82 -2.401 -12.703 -1.319 1.00 0.00 H new ATOM 0 HD23 LEU D 82 -3.302 -11.179 -1.136 1.00 0.00 H new ATOM 1252 N ASN D 83 1.204 -10.641 1.247 1.00 0.00 N ATOM 1253 CA ASN D 83 2.319 -10.150 2.082 1.00 0.00 C ATOM 1254 C ASN D 83 3.543 -9.766 1.256 1.00 0.00 C ATOM 1255 O ASN D 83 4.460 -10.567 1.062 1.00 0.00 O ATOM 1256 CB ASN D 83 2.680 -11.195 3.147 1.00 0.00 C ATOM 1257 CG ASN D 83 3.707 -10.698 4.152 1.00 0.00 C ATOM 1258 OD1 ASN D 83 4.855 -10.429 3.813 1.00 0.00 O ATOM 1259 ND2 ASN D 83 3.289 -10.544 5.398 1.00 0.00 N ATOM 0 H ASN D 83 0.295 -10.515 1.691 1.00 0.00 H new ATOM 0 HA ASN D 83 1.981 -9.239 2.576 1.00 0.00 H new ATOM 0 HB2 ASN D 83 1.775 -11.490 3.678 1.00 0.00 H new ATOM 0 HB3 ASN D 83 3.066 -12.088 2.654 1.00 0.00 H new ATOM 0 HD21 ASN D 83 3.928 -10.192 6.111 1.00 0.00 H new ATOM 0 HD22 ASN D 83 2.327 -10.777 5.646 1.00 0.00 H new ATOM 1266 N ILE D 84 3.504 -8.572 0.688 1.00 0.00 N ATOM 1267 CA ILE D 84 4.557 -8.134 -0.204 1.00 0.00 C ATOM 1268 C ILE D 84 5.750 -7.609 0.590 1.00 0.00 C ATOM 1269 O ILE D 84 5.753 -6.463 1.041 1.00 0.00 O ATOM 1270 CB ILE D 84 4.081 -7.044 -1.204 1.00 0.00 C ATOM 1271 CG1 ILE D 84 2.852 -7.487 -2.018 1.00 0.00 C ATOM 1272 CG2 ILE D 84 5.203 -6.684 -2.162 1.00 0.00 C ATOM 1273 CD1 ILE D 84 1.557 -7.544 -1.233 1.00 0.00 C ATOM 0 H ILE D 84 2.756 -7.893 0.830 1.00 0.00 H new ATOM 0 HA ILE D 84 4.853 -9.008 -0.784 1.00 0.00 H new ATOM 0 HB ILE D 84 3.796 -6.176 -0.609 1.00 0.00 H new ATOM 0 HG12 ILE D 84 2.723 -6.802 -2.856 1.00 0.00 H new ATOM 0 HG13 ILE D 84 3.049 -8.473 -2.439 1.00 0.00 H new ATOM 0 HG21 ILE D 84 4.856 -5.919 -2.857 1.00 0.00 H new ATOM 0 HG22 ILE D 84 6.054 -6.303 -1.598 1.00 0.00 H new ATOM 0 HG23 ILE D 84 5.504 -7.571 -2.719 1.00 0.00 H new ATOM 0 HD11 ILE D 84 0.748 -7.866 -1.889 1.00 0.00 H new ATOM 0 HD12 ILE D 84 1.661 -8.252 -0.411 1.00 0.00 H new ATOM 0 HD13 ILE D 84 1.330 -6.555 -0.834 1.00 0.00 H new ATOM 1285 N LYS D 85 6.768 -8.449 0.751 1.00 0.00 N ATOM 1286 CA LYS D 85 7.963 -8.057 1.484 1.00 0.00 C ATOM 1287 C LYS D 85 9.226 -8.295 0.656 1.00 0.00 C ATOM 1288 O LYS D 85 9.844 -9.357 0.724 1.00 0.00 O ATOM 1289 CB LYS D 85 8.034 -8.822 2.807 1.00 0.00 C ATOM 1290 CG LYS D 85 7.973 -10.342 2.649 1.00 0.00 C ATOM 1291 CD LYS D 85 7.910 -11.085 3.982 1.00 0.00 C ATOM 1292 CE LYS D 85 9.155 -10.896 4.843 1.00 0.00 C ATOM 1293 NZ LYS D 85 9.068 -11.675 6.108 1.00 0.00 N1+ ATOM 0 H LYS D 85 6.788 -9.401 0.385 1.00 0.00 H new ATOM 0 HA LYS D 85 7.903 -6.989 1.692 1.00 0.00 H new ATOM 0 HB2 LYS D 85 8.959 -8.557 3.319 1.00 0.00 H new ATOM 0 HB3 LYS D 85 7.212 -8.500 3.446 1.00 0.00 H new ATOM 0 HG2 LYS D 85 7.099 -10.604 2.053 1.00 0.00 H new ATOM 0 HG3 LYS D 85 8.849 -10.678 2.094 1.00 0.00 H new ATOM 0 HD2 LYS D 85 7.038 -10.743 4.539 1.00 0.00 H new ATOM 0 HD3 LYS D 85 7.769 -12.149 3.790 1.00 0.00 H new ATOM 0 HE2 LYS D 85 10.037 -11.208 4.283 1.00 0.00 H new ATOM 0 HE3 LYS D 85 9.282 -9.838 5.074 1.00 0.00 H new ATOM 0 HZ1 LYS D 85 9.931 -11.524 6.669 1.00 0.00 H new ATOM 0 HZ2 LYS D 85 8.240 -11.360 6.653 1.00 0.00 H new ATOM 0 HZ3 LYS D 85 8.972 -12.687 5.887 1.00 0.00 H new ATOM 1307 N GLY D 86 9.643 -7.268 -0.074 1.00 0.00 N ATOM 1308 CA GLY D 86 10.864 -7.343 -0.861 1.00 0.00 C ATOM 1309 C GLY D 86 10.793 -8.353 -1.989 1.00 0.00 C ATOM 1310 O GLY D 86 10.039 -9.327 -1.928 1.00 0.00 O ATOM 0 H GLY D 86 9.153 -6.375 -0.136 1.00 0.00 H new ATOM 0 HA2 GLY D 86 11.080 -6.359 -1.277 1.00 0.00 H new ATOM 0 HA3 GLY D 86 11.695 -7.601 -0.205 1.00 0.00 H new ATOM 1314 N PRO D 87 11.581 -8.150 -3.046 1.00 0.00 N ATOM 1315 CA PRO D 87 12.490 -7.010 -3.169 1.00 0.00 C ATOM 1316 C PRO D 87 11.840 -5.803 -3.858 1.00 0.00 C ATOM 1317 O PRO D 87 10.674 -5.879 -4.230 1.00 0.00 O ATOM 1318 CB PRO D 87 13.595 -7.608 -4.023 1.00 0.00 C ATOM 1319 CG PRO D 87 12.896 -8.549 -4.945 1.00 0.00 C ATOM 1320 CD PRO D 87 11.653 -9.027 -4.224 1.00 0.00 C ATOM 0 HA PRO D 87 12.819 -6.610 -2.210 1.00 0.00 H new ATOM 0 HB2 PRO D 87 14.129 -6.836 -4.576 1.00 0.00 H new ATOM 0 HB3 PRO D 87 14.331 -8.128 -3.410 1.00 0.00 H new ATOM 0 HG2 PRO D 87 12.634 -8.052 -5.879 1.00 0.00 H new ATOM 0 HG3 PRO D 87 13.541 -9.389 -5.202 1.00 0.00 H new ATOM 0 HD2 PRO D 87 10.765 -8.933 -4.849 1.00 0.00 H new ATOM 0 HD3 PRO D 87 11.733 -10.076 -3.939 1.00 0.00 H new ATOM 1328 N TYR D 88 12.625 -4.713 -4.013 1.00 0.00 N ATOM 1329 CA TYR D 88 12.203 -3.439 -4.659 1.00 0.00 C ATOM 1330 C TYR D 88 10.689 -3.272 -4.745 1.00 0.00 C ATOM 1331 O TYR D 88 10.071 -3.739 -5.692 1.00 0.00 O ATOM 1332 CB TYR D 88 12.771 -3.326 -6.081 1.00 0.00 C ATOM 1333 CG TYR D 88 14.281 -3.290 -6.173 1.00 0.00 C ATOM 1334 CD1 TYR D 88 14.924 -2.263 -6.848 1.00 0.00 C ATOM 1335 CD2 TYR D 88 15.060 -4.292 -5.620 1.00 0.00 C ATOM 1336 CE1 TYR D 88 16.299 -2.237 -6.965 1.00 0.00 C ATOM 1337 CE2 TYR D 88 16.434 -4.273 -5.726 1.00 0.00 C ATOM 1338 CZ TYR D 88 17.050 -3.245 -6.401 1.00 0.00 C ATOM 1339 OH TYR D 88 18.419 -3.229 -6.523 1.00 0.00 O ATOM 0 H TYR D 88 13.591 -4.689 -3.687 1.00 0.00 H new ATOM 0 HA TYR D 88 12.600 -2.653 -4.017 1.00 0.00 H new ATOM 0 HB2 TYR D 88 12.408 -4.170 -6.668 1.00 0.00 H new ATOM 0 HB3 TYR D 88 12.374 -2.422 -6.543 1.00 0.00 H new ATOM 0 HD1 TYR D 88 14.339 -1.470 -7.290 1.00 0.00 H new ATOM 0 HD2 TYR D 88 14.581 -5.105 -5.095 1.00 0.00 H new ATOM 0 HE1 TYR D 88 16.784 -1.431 -7.496 1.00 0.00 H new ATOM 0 HE2 TYR D 88 17.024 -5.061 -5.281 1.00 0.00 H new ATOM 0 HH TYR D 88 18.797 -4.010 -6.068 1.00 0.00 H new ATOM 1349 N ILE D 89 10.096 -2.614 -3.762 1.00 0.00 N ATOM 1350 CA ILE D 89 8.650 -2.422 -3.749 1.00 0.00 C ATOM 1351 C ILE D 89 8.260 -0.972 -3.974 1.00 0.00 C ATOM 1352 O ILE D 89 8.772 -0.068 -3.309 1.00 0.00 O ATOM 1353 CB ILE D 89 8.052 -2.903 -2.417 1.00 0.00 C ATOM 1354 CG1 ILE D 89 8.363 -4.386 -2.220 1.00 0.00 C ATOM 1355 CG2 ILE D 89 6.548 -2.696 -2.399 1.00 0.00 C ATOM 1356 CD1 ILE D 89 7.881 -4.907 -0.895 1.00 0.00 C ATOM 0 H ILE D 89 10.587 -2.205 -2.967 1.00 0.00 H new ATOM 0 HA ILE D 89 8.249 -3.014 -4.572 1.00 0.00 H new ATOM 0 HB ILE D 89 8.496 -2.322 -1.608 1.00 0.00 H new ATOM 0 HG12 ILE D 89 7.900 -4.960 -3.022 1.00 0.00 H new ATOM 0 HG13 ILE D 89 9.439 -4.541 -2.297 1.00 0.00 H new ATOM 0 HG21 ILE D 89 6.144 -3.043 -1.448 1.00 0.00 H new ATOM 0 HG22 ILE D 89 6.325 -1.636 -2.523 1.00 0.00 H new ATOM 0 HG23 ILE D 89 6.093 -3.260 -3.213 1.00 0.00 H new ATOM 0 HD11 ILE D 89 8.128 -5.965 -0.808 1.00 0.00 H new ATOM 0 HD12 ILE D 89 8.364 -4.354 -0.089 1.00 0.00 H new ATOM 0 HD13 ILE D 89 6.801 -4.780 -0.825 1.00 0.00 H new ATOM 1368 N GLU D 90 7.245 -0.780 -4.807 1.00 0.00 N ATOM 1369 CA GLU D 90 6.659 0.539 -4.991 1.00 0.00 C ATOM 1370 C GLU D 90 5.166 0.484 -4.689 1.00 0.00 C ATOM 1371 O GLU D 90 4.357 0.170 -5.555 1.00 0.00 O ATOM 1372 CB GLU D 90 6.870 1.054 -6.417 1.00 0.00 C ATOM 1373 CG GLU D 90 8.298 0.901 -6.926 1.00 0.00 C ATOM 1374 CD GLU D 90 9.307 1.715 -6.146 1.00 0.00 C ATOM 1375 OE1 GLU D 90 10.511 1.582 -6.430 1.00 0.00 O ATOM 1376 OE2 GLU D 90 8.901 2.498 -5.265 1.00 0.00 O1- ATOM 0 H GLU D 90 6.813 -1.518 -5.363 1.00 0.00 H new ATOM 0 HA GLU D 90 7.155 1.225 -4.304 1.00 0.00 H new ATOM 0 HB2 GLU D 90 6.197 0.521 -7.088 1.00 0.00 H new ATOM 0 HB3 GLU D 90 6.592 2.107 -6.457 1.00 0.00 H new ATOM 0 HG2 GLU D 90 8.580 -0.151 -6.883 1.00 0.00 H new ATOM 0 HG3 GLU D 90 8.336 1.198 -7.974 1.00 0.00 H new ATOM 1383 N ILE D 91 4.815 0.788 -3.459 1.00 0.00 N ATOM 1384 CA ILE D 91 3.433 0.786 -3.015 1.00 0.00 C ATOM 1385 C ILE D 91 2.857 2.200 -3.139 1.00 0.00 C ATOM 1386 O ILE D 91 3.070 3.044 -2.262 1.00 0.00 O ATOM 1387 CB ILE D 91 3.349 0.274 -1.548 1.00 0.00 C ATOM 1388 CG1 ILE D 91 3.762 -1.190 -1.469 1.00 0.00 C ATOM 1389 CG2 ILE D 91 1.977 0.449 -0.932 1.00 0.00 C ATOM 1390 CD1 ILE D 91 3.571 -1.795 -0.094 1.00 0.00 C ATOM 0 H ILE D 91 5.482 1.046 -2.732 1.00 0.00 H new ATOM 0 HA ILE D 91 2.845 0.115 -3.641 1.00 0.00 H new ATOM 0 HB ILE D 91 4.041 0.889 -0.972 1.00 0.00 H new ATOM 0 HG12 ILE D 91 3.183 -1.763 -2.194 1.00 0.00 H new ATOM 0 HG13 ILE D 91 4.810 -1.280 -1.755 1.00 0.00 H new ATOM 0 HG21 ILE D 91 1.987 0.072 0.091 1.00 0.00 H new ATOM 0 HG22 ILE D 91 1.713 1.506 -0.927 1.00 0.00 H new ATOM 0 HG23 ILE D 91 1.243 -0.105 -1.516 1.00 0.00 H new ATOM 0 HD11 ILE D 91 3.885 -2.839 -0.109 1.00 0.00 H new ATOM 0 HD12 ILE D 91 4.171 -1.246 0.632 1.00 0.00 H new ATOM 0 HD13 ILE D 91 2.519 -1.736 0.187 1.00 0.00 H new ATOM 1402 N LYS D 92 2.106 2.447 -4.223 1.00 0.00 N ATOM 1403 CA LYS D 92 1.475 3.751 -4.432 1.00 0.00 C ATOM 1404 C LYS D 92 0.363 3.638 -5.473 1.00 0.00 C ATOM 1405 O LYS D 92 0.314 2.664 -6.228 1.00 0.00 O ATOM 1406 CB LYS D 92 2.505 4.811 -4.864 1.00 0.00 C ATOM 1407 CG LYS D 92 2.700 4.971 -6.371 1.00 0.00 C ATOM 1408 CD LYS D 92 3.229 3.732 -7.077 1.00 0.00 C ATOM 1409 CE LYS D 92 3.300 3.992 -8.576 1.00 0.00 C ATOM 1410 NZ LYS D 92 4.304 3.142 -9.267 1.00 0.00 N1+ ATOM 0 H LYS D 92 1.924 1.766 -4.960 1.00 0.00 H new ATOM 0 HA LYS D 92 1.044 4.071 -3.483 1.00 0.00 H new ATOM 0 HB2 LYS D 92 2.203 5.774 -4.451 1.00 0.00 H new ATOM 0 HB3 LYS D 92 3.467 4.560 -4.417 1.00 0.00 H new ATOM 0 HG2 LYS D 92 1.746 5.249 -6.820 1.00 0.00 H new ATOM 0 HG3 LYS D 92 3.389 5.796 -6.549 1.00 0.00 H new ATOM 0 HD2 LYS D 92 4.217 3.477 -6.694 1.00 0.00 H new ATOM 0 HD3 LYS D 92 2.579 2.880 -6.875 1.00 0.00 H new ATOM 0 HE2 LYS D 92 2.319 3.816 -9.016 1.00 0.00 H new ATOM 0 HE3 LYS D 92 3.542 5.041 -8.746 1.00 0.00 H new ATOM 0 HZ1 LYS D 92 4.504 3.537 -10.208 1.00 0.00 H new ATOM 0 HZ2 LYS D 92 5.181 3.117 -8.708 1.00 0.00 H new ATOM 0 HZ3 LYS D 92 3.931 2.177 -9.369 1.00 0.00 H new ATOM 1424 N GLN D 93 -0.470 4.670 -5.583 1.00 0.00 N ATOM 1425 CA GLN D 93 -1.487 4.679 -6.624 1.00 0.00 C ATOM 1426 C GLN D 93 -0.903 5.119 -7.953 1.00 0.00 C ATOM 1427 O GLN D 93 0.258 5.517 -8.034 1.00 0.00 O ATOM 1428 CB GLN D 93 -2.677 5.548 -6.270 1.00 0.00 C ATOM 1429 CG GLN D 93 -2.308 6.985 -5.998 1.00 0.00 C ATOM 1430 CD GLN D 93 -3.488 7.808 -5.523 1.00 0.00 C ATOM 1431 OE1 GLN D 93 -4.497 7.929 -6.220 1.00 0.00 O ATOM 1432 NE2 GLN D 93 -3.369 8.379 -4.335 1.00 0.00 N ATOM 0 H GLN D 93 -0.461 5.491 -4.978 1.00 0.00 H new ATOM 0 HA GLN D 93 -1.844 3.653 -6.711 1.00 0.00 H new ATOM 0 HB2 GLN D 93 -3.398 5.514 -7.086 1.00 0.00 H new ATOM 0 HB3 GLN D 93 -3.171 5.135 -5.391 1.00 0.00 H new ATOM 0 HG2 GLN D 93 -1.520 7.018 -5.246 1.00 0.00 H new ATOM 0 HG3 GLN D 93 -1.901 7.430 -6.906 1.00 0.00 H new ATOM 0 HE21 GLN D 93 -2.515 8.252 -3.791 1.00 0.00 H new ATOM 0 HE22 GLN D 93 -4.131 8.946 -3.963 1.00 0.00 H new ATOM 1441 N ILE D 94 -1.650 4.856 -9.006 1.00 0.00 N ATOM 1442 CA ILE D 94 -1.149 5.008 -10.357 1.00 0.00 C ATOM 1443 C ILE D 94 -2.201 5.608 -11.288 1.00 0.00 C ATOM 1444 O ILE D 94 -3.094 6.320 -10.792 1.00 0.00 O ATOM 1445 CB ILE D 94 -0.723 3.636 -10.872 1.00 0.00 C ATOM 1446 CG1 ILE D 94 -1.868 2.660 -10.668 1.00 0.00 C ATOM 1447 CG2 ILE D 94 0.524 3.148 -10.163 1.00 0.00 C ATOM 1448 CD1 ILE D 94 -1.518 1.226 -10.944 1.00 0.00 C ATOM 1449 OXT ILE D 94 -2.118 5.372 -12.509 1.00 0.00 O ATOM 0 H ILE D 94 -2.616 4.533 -8.950 1.00 0.00 H new ATOM 0 HA ILE D 94 -0.302 5.694 -10.341 1.00 0.00 H new ATOM 0 HB ILE D 94 -0.486 3.710 -11.933 1.00 0.00 H new ATOM 0 HG12 ILE D 94 -2.222 2.744 -9.640 1.00 0.00 H new ATOM 0 HG13 ILE D 94 -2.696 2.950 -11.315 1.00 0.00 H new ATOM 0 HG21 ILE D 94 0.803 2.168 -10.551 1.00 0.00 H new ATOM 0 HG22 ILE D 94 1.339 3.852 -10.334 1.00 0.00 H new ATOM 0 HG23 ILE D 94 0.328 3.072 -9.093 1.00 0.00 H new ATOM 0 HD11 ILE D 94 -2.393 0.599 -10.773 1.00 0.00 H new ATOM 0 HD12 ILE D 94 -1.194 1.123 -11.980 1.00 0.00 H new ATOM 0 HD13 ILE D 94 -0.713 0.914 -10.279 1.00 0.00 H new TER 1461 ILE D 94