USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=31 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 76 SER OG : rot -140:sc= -0.0802 USER MOD Set 1.2: D 80 ASN : amide:sc= 0.169 K(o=0.088,f=-2.1!) USER MOD Set 2.1: D 53 ASN :FLIP amide:sc= -0.0358 F(o=-5.9!,f=-3.7) USER MOD Set 2.2: D 67 ASN : amide:sc= -3.63! C(o=-3.7!,f=-6.7!) USER MOD Set 3.1: D 62 LYS NZ :NH3+ 162:sc= 1.19 (180deg=-0.0238) USER MOD Set 3.2: D 65 THR OG1 : rot 108:sc= 1.06 USER MOD Set 4.1: D 9 GLN :FLIP amide:sc= -2.33 F(o=-7.8!,f=-2.4) USER MOD Set 4.2: D 31 MET CE :methyl 175:sc= -0.111 (180deg=-0.155) USER MOD Single : D 1 ASP N :NH3+ -177:sc= 0.396 (180deg=0.367) USER MOD Single : D 2 ASN : amide:sc= -0.23 X(o=-0.23,f=-0.23) USER MOD Single : D 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : D 4 LYS NZ :NH3+ 172:sc=-0.00311 (180deg=-0.0617) USER MOD Single : D 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : D 11 ASN : amide:sc= -0.759 K(o=-0.76,f=-3!) USER MOD Single : D 12 SER OG : rot 180:sc= 0 USER MOD Single : D 14 ASN : amide:sc= -0.35 K(o=-0.35,f=-1.7) USER MOD Single : D 15 SER OG : rot -51:sc= 0.517 USER MOD Single : D 17 ASN : amide:sc= -1.29 K(o=-1.3,f=-5.3!) USER MOD Single : D 19 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0214) USER MOD Single : D 21 ASN : amide:sc= -7.04! C(o=-7!,f=-8.7!) USER MOD Single : D 22 LYS NZ :NH3+ -161:sc= -0.115 (180deg=-0.531) USER MOD Single : D 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 26 LYS NZ :NH3+ -126:sc= -2.41! (180deg=-5.07!) USER MOD Single : D 28 SER OG : rot 180:sc= 0 USER MOD Single : D 30 SER OG : rot 180:sc= -0.0979 USER MOD Single : D 32 ASN :FLIP amide:sc= -0.0759 F(o=-1.8!,f=-0.076) USER MOD Single : D 34 ASN : amide:sc=-0.00291 X(o=-0.0029,f=0) USER MOD Single : D 35 GLN : amide:sc= -0.274 X(o=-0.27,f=0) USER MOD Single : D 37 LYS NZ :NH3+ 145:sc= -3.12! (180deg=-5.32!) USER MOD Single : D 39 THR OG1 : rot 180:sc= -3.74! USER MOD Single : D 40 SER OG : rot 48:sc= 1.29 USER MOD Single : D 41 SER OG : rot 180:sc= 0 USER MOD Single : D 42 ASN : amide:sc= -0.0818 X(o=-0.082,f=-0.042) USER MOD Single : D 45 TYR OH : rot 180:sc= 0 USER MOD Single : D 48 SER OG : rot 180:sc= -0.355 USER MOD Single : D 49 TYR OH : rot 180:sc= 0 USER MOD Single : D 52 LYS NZ :NH3+ 144:sc= -0.142 (180deg=-0.649) USER MOD Single : D 59 ASN :FLIP amide:sc= -0.272 F(o=-0.95,f=-0.27) USER MOD Single : D 64 TYR OH : 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 180:sc= 0 USER MOD Single : D 71 THR OG1 : rot 180:sc= 0.0778 USER MOD Single : D 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : D 77 ASN : amide:sc= -0.387 X(o=-0.39,f=-0.31) USER MOD Single : D 81 LYS NZ :NH3+ -139:sc= 1.26 (180deg=0.0208) USER MOD Single : D 83 ASN : amide:sc= -0.483 K(o=-0.48,f=-1.9) 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+ 176:sc= 1.83 (180deg=1.81) USER MOD Single : D 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP D 1 20.914 9.796 9.697 1.00 0.00 N ATOM 2 CA ASP D 1 21.280 10.361 8.376 1.00 0.00 C ATOM 3 C ASP D 1 20.582 9.603 7.252 1.00 0.00 C ATOM 4 O ASP D 1 19.515 9.025 7.455 1.00 0.00 O ATOM 5 CB ASP D 1 22.805 10.294 8.208 1.00 0.00 C ATOM 6 CG ASP D 1 23.359 8.886 8.300 1.00 0.00 C ATOM 7 OD1 ASP D 1 24.583 8.731 8.165 1.00 0.00 O ATOM 8 OD2 ASP D 1 22.575 7.937 8.505 1.00 0.00 O1- ATOM 0 H1 ASP D 1 21.359 10.358 10.450 1.00 0.00 H new ATOM 0 H2 ASP D 1 19.881 9.821 9.811 1.00 0.00 H new ATOM 0 H3 ASP D 1 21.245 8.812 9.757 1.00 0.00 H new ATOM 0 HA ASP D 1 20.955 11.400 8.326 1.00 0.00 H new ATOM 0 HB2 ASP D 1 23.076 10.721 7.242 1.00 0.00 H new ATOM 0 HB3 ASP D 1 23.275 10.912 8.973 1.00 0.00 H new ATOM 13 N ASN D 2 21.199 9.589 6.076 1.00 0.00 N ATOM 14 CA ASN D 2 20.645 8.883 4.925 1.00 0.00 C ATOM 15 C ASN D 2 21.486 7.649 4.591 1.00 0.00 C ATOM 16 O ASN D 2 21.133 6.857 3.716 1.00 0.00 O ATOM 17 CB ASN D 2 20.565 9.830 3.721 1.00 0.00 C ATOM 18 CG ASN D 2 19.981 9.172 2.487 1.00 0.00 C ATOM 19 OD1 ASN D 2 18.858 8.664 2.513 1.00 0.00 O ATOM 20 ND2 ASN D 2 20.734 9.183 1.397 1.00 0.00 N ATOM 0 H ASN D 2 22.085 10.060 5.894 1.00 0.00 H new ATOM 0 HA ASN D 2 19.638 8.545 5.171 1.00 0.00 H new ATOM 0 HB2 ASN D 2 19.958 10.695 3.986 1.00 0.00 H new ATOM 0 HB3 ASN D 2 21.564 10.200 3.490 1.00 0.00 H new ATOM 0 HD21 ASN D 2 20.390 8.760 0.535 1.00 0.00 H new ATOM 0 HD22 ASN D 2 21.658 9.615 1.420 1.00 0.00 H new ATOM 27 N GLN D 3 22.585 7.464 5.320 1.00 0.00 N ATOM 28 CA GLN D 3 23.453 6.302 5.117 1.00 0.00 C ATOM 29 C GLN D 3 22.845 5.044 5.732 1.00 0.00 C ATOM 30 O GLN D 3 23.357 3.941 5.544 1.00 0.00 O ATOM 31 CB GLN D 3 24.831 6.551 5.727 1.00 0.00 C ATOM 32 CG GLN D 3 25.532 7.785 5.186 1.00 0.00 C ATOM 33 CD GLN D 3 26.893 7.987 5.813 1.00 0.00 C ATOM 34 OE1 GLN D 3 27.786 7.156 5.660 1.00 0.00 O ATOM 35 NE2 GLN D 3 27.053 9.076 6.548 1.00 0.00 N ATOM 0 H GLN D 3 22.896 8.100 6.054 1.00 0.00 H new ATOM 0 HA GLN D 3 23.554 6.151 4.042 1.00 0.00 H new ATOM 0 HB2 GLN D 3 24.726 6.650 6.807 1.00 0.00 H new ATOM 0 HB3 GLN D 3 25.460 5.680 5.546 1.00 0.00 H new ATOM 0 HG2 GLN D 3 25.641 7.695 4.105 1.00 0.00 H new ATOM 0 HG3 GLN D 3 24.914 8.663 5.372 1.00 0.00 H new ATOM 0 HE21 GLN D 3 26.286 9.740 6.649 1.00 0.00 H new ATOM 0 HE22 GLN D 3 27.944 9.251 7.013 1.00 0.00 H new ATOM 44 N LYS D 4 21.709 5.205 6.400 1.00 0.00 N ATOM 45 CA LYS D 4 20.986 4.072 6.957 1.00 0.00 C ATOM 46 C LYS D 4 20.077 3.474 5.902 1.00 0.00 C ATOM 47 O LYS D 4 19.620 2.336 6.033 1.00 0.00 O ATOM 48 CB LYS D 4 20.150 4.500 8.166 1.00 0.00 C ATOM 49 CG LYS D 4 20.971 4.980 9.352 1.00 0.00 C ATOM 50 CD LYS D 4 20.083 5.455 10.497 1.00 0.00 C ATOM 51 CE LYS D 4 19.085 4.387 10.928 1.00 0.00 C ATOM 52 NZ LYS D 4 19.748 3.115 11.322 1.00 0.00 N1+ ATOM 0 H LYS D 4 21.270 6.110 6.568 1.00 0.00 H new ATOM 0 HA LYS D 4 21.713 3.328 7.281 1.00 0.00 H new ATOM 0 HB2 LYS D 4 19.472 5.297 7.861 1.00 0.00 H new ATOM 0 HB3 LYS D 4 19.532 3.660 8.482 1.00 0.00 H new ATOM 0 HG2 LYS D 4 21.613 4.172 9.701 1.00 0.00 H new ATOM 0 HG3 LYS D 4 21.625 5.793 9.037 1.00 0.00 H new ATOM 0 HD2 LYS D 4 20.706 5.733 11.347 1.00 0.00 H new ATOM 0 HD3 LYS D 4 19.544 6.351 10.190 1.00 0.00 H new ATOM 0 HE2 LYS D 4 18.496 4.761 11.766 1.00 0.00 H new ATOM 0 HE3 LYS D 4 18.390 4.193 10.111 1.00 0.00 H new ATOM 0 HZ1 LYS D 4 19.044 2.470 11.734 1.00 0.00 H new ATOM 0 HZ2 LYS D 4 20.175 2.672 10.484 1.00 0.00 H new ATOM 0 HZ3 LYS D 4 20.489 3.313 12.025 1.00 0.00 H new ATOM 66 N ALA D 5 19.762 4.294 4.900 1.00 0.00 N ATOM 67 CA ALA D 5 18.832 3.926 3.844 1.00 0.00 C ATOM 68 C ALA D 5 17.503 3.490 4.443 1.00 0.00 C ATOM 69 O ALA D 5 17.134 2.317 4.384 1.00 0.00 O ATOM 70 CB ALA D 5 19.418 2.834 2.961 1.00 0.00 C ATOM 0 H ALA D 5 20.148 5.233 4.801 1.00 0.00 H new ATOM 0 HA ALA D 5 18.656 4.800 3.217 1.00 0.00 H new ATOM 0 HB1 ALA D 5 18.704 2.576 2.179 1.00 0.00 H new ATOM 0 HB2 ALA D 5 20.342 3.191 2.506 1.00 0.00 H new ATOM 0 HB3 ALA D 5 19.629 1.952 3.565 1.00 0.00 H new ATOM 76 N LEU D 6 16.850 4.423 5.118 1.00 0.00 N ATOM 77 CA LEU D 6 15.627 4.132 5.851 1.00 0.00 C ATOM 78 C LEU D 6 14.431 4.794 5.161 1.00 0.00 C ATOM 79 O LEU D 6 13.392 5.021 5.776 1.00 0.00 O ATOM 80 CB LEU D 6 15.774 4.650 7.292 1.00 0.00 C ATOM 81 CG LEU D 6 14.685 4.223 8.279 1.00 0.00 C ATOM 82 CD1 LEU D 6 14.715 2.718 8.490 1.00 0.00 C ATOM 83 CD2 LEU D 6 14.858 4.943 9.604 1.00 0.00 C ATOM 0 H LEU D 6 17.150 5.396 5.174 1.00 0.00 H new ATOM 0 HA LEU D 6 15.455 3.056 5.871 1.00 0.00 H new ATOM 0 HB2 LEU D 6 16.737 4.317 7.679 1.00 0.00 H new ATOM 0 HB3 LEU D 6 15.802 5.739 7.263 1.00 0.00 H new ATOM 0 HG LEU D 6 13.717 4.494 7.859 1.00 0.00 H new ATOM 0 HD11 LEU D 6 13.934 2.434 9.195 1.00 0.00 H new ATOM 0 HD12 LEU D 6 14.546 2.214 7.538 1.00 0.00 H new ATOM 0 HD13 LEU D 6 15.687 2.426 8.888 1.00 0.00 H new ATOM 0 HD21 LEU D 6 14.075 4.628 10.294 1.00 0.00 H new ATOM 0 HD22 LEU D 6 15.833 4.700 10.026 1.00 0.00 H new ATOM 0 HD23 LEU D 6 14.790 6.019 9.445 1.00 0.00 H new ATOM 95 N GLU D 7 14.626 5.177 3.901 1.00 0.00 N ATOM 96 CA GLU D 7 13.618 5.913 3.136 1.00 0.00 C ATOM 97 C GLU D 7 12.274 5.183 3.045 1.00 0.00 C ATOM 98 O GLU D 7 11.224 5.795 3.252 1.00 0.00 O ATOM 99 CB GLU D 7 14.157 6.229 1.737 1.00 0.00 C ATOM 100 CG GLU D 7 14.653 5.013 0.974 1.00 0.00 C ATOM 101 CD GLU D 7 15.241 5.377 -0.364 1.00 0.00 C ATOM 102 OE1 GLU D 7 16.235 6.128 -0.391 1.00 0.00 O ATOM 103 OE2 GLU D 7 14.702 4.926 -1.390 1.00 0.00 O1- ATOM 0 H GLU D 7 15.483 4.988 3.382 1.00 0.00 H new ATOM 0 HA GLU D 7 13.422 6.840 3.675 1.00 0.00 H new ATOM 0 HB2 GLU D 7 13.371 6.713 1.157 1.00 0.00 H new ATOM 0 HB3 GLU D 7 14.973 6.946 1.827 1.00 0.00 H new ATOM 0 HG2 GLU D 7 15.405 4.495 1.570 1.00 0.00 H new ATOM 0 HG3 GLU D 7 13.827 4.317 0.828 1.00 0.00 H new ATOM 110 N GLU D 8 12.290 3.894 2.709 1.00 0.00 N ATOM 111 CA GLU D 8 11.048 3.148 2.574 1.00 0.00 C ATOM 112 C GLU D 8 10.382 2.920 3.928 1.00 0.00 C ATOM 113 O GLU D 8 9.167 2.782 4.006 1.00 0.00 O ATOM 114 CB GLU D 8 11.253 1.819 1.835 1.00 0.00 C ATOM 115 CG GLU D 8 12.281 0.896 2.459 1.00 0.00 C ATOM 116 CD GLU D 8 12.385 -0.425 1.734 1.00 0.00 C ATOM 117 OE1 GLU D 8 13.236 -1.246 2.120 1.00 0.00 O ATOM 118 OE2 GLU D 8 11.609 -0.651 0.785 1.00 0.00 O1- ATOM 0 H GLU D 8 13.137 3.355 2.529 1.00 0.00 H new ATOM 0 HA GLU D 8 10.379 3.759 1.968 1.00 0.00 H new ATOM 0 HB2 GLU D 8 10.298 1.296 1.786 1.00 0.00 H new ATOM 0 HB3 GLU D 8 11.553 2.033 0.809 1.00 0.00 H new ATOM 0 HG2 GLU D 8 13.254 1.386 2.456 1.00 0.00 H new ATOM 0 HG3 GLU D 8 12.018 0.715 3.501 1.00 0.00 H new ATOM 125 N GLN D 9 11.163 2.994 4.999 1.00 0.00 N ATOM 126 CA GLN D 9 10.607 2.906 6.347 1.00 0.00 C ATOM 127 C GLN D 9 10.386 4.296 6.932 1.00 0.00 C ATOM 128 O GLN D 9 10.210 4.443 8.141 1.00 0.00 O ATOM 129 CB GLN D 9 11.516 2.115 7.302 1.00 0.00 C ATOM 130 CG GLN D 9 11.810 0.676 6.888 1.00 0.00 C ATOM 131 CD GLN D 9 12.876 0.535 5.816 1.00 0.00 C ATOM 132 OE1 GLN D 9 13.542 1.628 5.473 1.00 0.00 O flip ATOM 133 NE2 GLN D 9 13.131 -0.565 5.332 1.00 0.00 N flip ATOM 0 H GLN D 9 12.175 3.114 4.963 1.00 0.00 H new ATOM 0 HA GLN D 9 9.657 2.380 6.253 1.00 0.00 H new ATOM 0 HB2 GLN D 9 12.462 2.647 7.399 1.00 0.00 H new ATOM 0 HB3 GLN D 9 11.054 2.103 8.289 1.00 0.00 H new ATOM 0 HG2 GLN D 9 12.122 0.114 7.769 1.00 0.00 H new ATOM 0 HG3 GLN D 9 10.888 0.219 6.528 1.00 0.00 H new ATOM 0 HE21 GLN D 9 12.597 -1.385 5.620 1.00 0.00 H new ATOM 0 HE22 GLN D 9 13.877 -0.658 4.642 1.00 0.00 H new ATOM 142 N MET D 10 10.478 5.320 6.093 1.00 0.00 N ATOM 143 CA MET D 10 10.375 6.693 6.574 1.00 0.00 C ATOM 144 C MET D 10 9.017 7.264 6.203 1.00 0.00 C ATOM 145 O MET D 10 8.103 7.292 7.023 1.00 0.00 O ATOM 146 CB MET D 10 11.524 7.545 5.994 1.00 0.00 C ATOM 147 CG MET D 10 11.655 8.954 6.571 1.00 0.00 C ATOM 148 SD MET D 10 10.280 10.050 6.165 1.00 0.00 S ATOM 149 CE MET D 10 10.804 11.563 6.963 1.00 0.00 C ATOM 0 H MET D 10 10.622 5.229 5.087 1.00 0.00 H new ATOM 0 HA MET D 10 10.465 6.709 7.660 1.00 0.00 H new ATOM 0 HB2 MET D 10 12.463 7.016 6.157 1.00 0.00 H new ATOM 0 HB3 MET D 10 11.386 7.624 4.916 1.00 0.00 H new ATOM 0 HG2 MET D 10 11.741 8.884 7.655 1.00 0.00 H new ATOM 0 HG3 MET D 10 12.580 9.400 6.206 1.00 0.00 H new ATOM 0 HE1 MET D 10 10.055 12.338 6.801 1.00 0.00 H new ATOM 0 HE2 MET D 10 10.920 11.389 8.033 1.00 0.00 H new ATOM 0 HE3 MET D 10 11.756 11.885 6.542 1.00 0.00 H new ATOM 159 N ASN D 11 8.850 7.604 4.935 1.00 0.00 N ATOM 160 CA ASN D 11 7.555 8.038 4.439 1.00 0.00 C ATOM 161 C ASN D 11 6.895 6.943 3.665 1.00 0.00 C ATOM 162 O ASN D 11 5.679 6.912 3.543 1.00 0.00 O ATOM 163 CB ASN D 11 7.658 9.272 3.541 1.00 0.00 C ATOM 164 CG ASN D 11 8.755 9.181 2.491 1.00 0.00 C ATOM 165 OD1 ASN D 11 8.707 8.349 1.585 1.00 0.00 O ATOM 166 ND2 ASN D 11 9.764 10.030 2.615 1.00 0.00 N ATOM 0 H ASN D 11 9.591 7.588 4.234 1.00 0.00 H new ATOM 0 HA ASN D 11 6.961 8.296 5.316 1.00 0.00 H new ATOM 0 HB2 ASN D 11 6.702 9.426 3.041 1.00 0.00 H new ATOM 0 HB3 ASN D 11 7.837 10.148 4.164 1.00 0.00 H new ATOM 0 HD21 ASN D 11 10.534 10.008 1.947 1.00 0.00 H new ATOM 0 HD22 ASN D 11 9.771 10.706 3.379 1.00 0.00 H new ATOM 173 N SER D 12 7.722 6.231 2.942 1.00 0.00 N ATOM 174 CA SER D 12 7.262 5.330 1.923 1.00 0.00 C ATOM 175 C SER D 12 6.070 4.498 2.392 1.00 0.00 C ATOM 176 O SER D 12 4.991 4.569 1.806 1.00 0.00 O ATOM 177 CB SER D 12 8.420 4.434 1.509 1.00 0.00 C ATOM 178 OG SER D 12 8.041 3.512 0.501 1.00 0.00 O ATOM 0 H SER D 12 8.736 6.262 3.046 1.00 0.00 H new ATOM 0 HA SER D 12 6.916 5.911 1.068 1.00 0.00 H new ATOM 0 HB2 SER D 12 9.244 5.049 1.147 1.00 0.00 H new ATOM 0 HB3 SER D 12 8.787 3.890 2.379 1.00 0.00 H new ATOM 0 HG SER D 12 8.811 2.956 0.260 1.00 0.00 H new ATOM 184 N ILE D 13 6.275 3.698 3.428 1.00 0.00 N ATOM 185 CA ILE D 13 5.253 2.844 3.943 1.00 0.00 C ATOM 186 C ILE D 13 4.369 3.564 4.976 1.00 0.00 C ATOM 187 O ILE D 13 3.247 3.148 5.242 1.00 0.00 O ATOM 188 CB ILE D 13 5.915 1.605 4.559 1.00 0.00 C ATOM 189 CG1 ILE D 13 4.853 0.663 5.034 1.00 0.00 C ATOM 190 CG2 ILE D 13 6.841 1.981 5.707 1.00 0.00 C ATOM 191 CD1 ILE D 13 5.385 -0.618 5.644 1.00 0.00 C ATOM 0 H ILE D 13 7.163 3.634 3.926 1.00 0.00 H new ATOM 0 HA ILE D 13 4.596 2.548 3.126 1.00 0.00 H new ATOM 0 HB ILE D 13 6.522 1.120 3.795 1.00 0.00 H new ATOM 0 HG12 ILE D 13 4.234 1.174 5.772 1.00 0.00 H new ATOM 0 HG13 ILE D 13 4.205 0.411 4.194 1.00 0.00 H new ATOM 0 HG21 ILE D 13 7.293 1.079 6.120 1.00 0.00 H new ATOM 0 HG22 ILE D 13 7.624 2.644 5.340 1.00 0.00 H new ATOM 0 HG23 ILE D 13 6.270 2.489 6.484 1.00 0.00 H new ATOM 0 HD11 ILE D 13 4.551 -1.244 5.962 1.00 0.00 H new ATOM 0 HD12 ILE D 13 5.979 -1.154 4.904 1.00 0.00 H new ATOM 0 HD13 ILE D 13 6.008 -0.379 6.506 1.00 0.00 H new ATOM 203 N ASN D 14 4.891 4.620 5.582 1.00 0.00 N ATOM 204 CA ASN D 14 4.148 5.353 6.609 1.00 0.00 C ATOM 205 C ASN D 14 3.163 6.356 6.003 1.00 0.00 C ATOM 206 O ASN D 14 1.959 6.290 6.266 1.00 0.00 O ATOM 207 CB ASN D 14 5.091 6.077 7.572 1.00 0.00 C ATOM 208 CG ASN D 14 5.956 5.129 8.381 1.00 0.00 C ATOM 209 OD1 ASN D 14 6.763 4.377 7.832 1.00 0.00 O ATOM 210 ND2 ASN D 14 5.789 5.156 9.694 1.00 0.00 N ATOM 0 H ASN D 14 5.821 4.991 5.385 1.00 0.00 H new ATOM 0 HA ASN D 14 3.578 4.608 7.164 1.00 0.00 H new ATOM 0 HB2 ASN D 14 5.733 6.751 7.005 1.00 0.00 H new ATOM 0 HB3 ASN D 14 4.503 6.694 8.252 1.00 0.00 H new ATOM 0 HD21 ASN D 14 6.340 4.539 10.291 1.00 0.00 H new ATOM 0 HD22 ASN D 14 5.110 5.794 10.109 1.00 0.00 H new ATOM 217 N SER D 15 3.665 7.303 5.210 1.00 0.00 N ATOM 218 CA SER D 15 2.799 8.313 4.613 1.00 0.00 C ATOM 219 C SER D 15 1.905 7.694 3.549 1.00 0.00 C ATOM 220 O SER D 15 0.891 8.280 3.168 1.00 0.00 O ATOM 221 CB SER D 15 3.593 9.485 4.024 1.00 0.00 C ATOM 222 OG SER D 15 4.419 9.080 2.945 1.00 0.00 O ATOM 0 H SER D 15 4.653 7.390 4.970 1.00 0.00 H new ATOM 0 HA SER D 15 2.176 8.711 5.414 1.00 0.00 H new ATOM 0 HB2 SER D 15 2.902 10.255 3.682 1.00 0.00 H new ATOM 0 HB3 SER D 15 4.209 9.933 4.803 1.00 0.00 H new ATOM 0 HG SER D 15 4.963 8.313 3.220 1.00 0.00 H new ATOM 228 N VAL D 16 2.248 6.478 3.106 1.00 0.00 N ATOM 229 CA VAL D 16 1.428 5.771 2.131 1.00 0.00 C ATOM 230 C VAL D 16 0.051 5.537 2.729 1.00 0.00 C ATOM 231 O VAL D 16 -0.950 5.422 2.026 1.00 0.00 O ATOM 232 CB VAL D 16 2.037 4.403 1.723 1.00 0.00 C ATOM 233 CG1 VAL D 16 1.677 3.296 2.706 1.00 0.00 C ATOM 234 CG2 VAL D 16 1.617 4.016 0.327 1.00 0.00 C ATOM 0 H VAL D 16 3.081 5.972 3.407 1.00 0.00 H new ATOM 0 HA VAL D 16 1.373 6.388 1.234 1.00 0.00 H new ATOM 0 HB VAL D 16 3.120 4.524 1.744 1.00 0.00 H new ATOM 0 HG11 VAL D 16 2.126 2.358 2.378 1.00 0.00 H new ATOM 0 HG12 VAL D 16 2.054 3.552 3.696 1.00 0.00 H new ATOM 0 HG13 VAL D 16 0.594 3.185 2.748 1.00 0.00 H new ATOM 0 HG21 VAL D 16 2.058 3.054 0.068 1.00 0.00 H new ATOM 0 HG22 VAL D 16 0.531 3.941 0.282 1.00 0.00 H new ATOM 0 HG23 VAL D 16 1.958 4.773 -0.379 1.00 0.00 H new ATOM 244 N ASN D 17 0.034 5.478 4.052 1.00 0.00 N ATOM 245 CA ASN D 17 -1.185 5.257 4.795 1.00 0.00 C ATOM 246 C ASN D 17 -1.971 6.539 4.866 1.00 0.00 C ATOM 247 O ASN D 17 -3.179 6.531 4.767 1.00 0.00 O ATOM 248 CB ASN D 17 -0.878 4.769 6.210 1.00 0.00 C ATOM 249 CG ASN D 17 -0.091 3.479 6.222 1.00 0.00 C ATOM 250 OD1 ASN D 17 -0.499 2.486 5.633 1.00 0.00 O ATOM 251 ND2 ASN D 17 1.040 3.486 6.910 1.00 0.00 N ATOM 0 H ASN D 17 0.865 5.582 4.634 1.00 0.00 H new ATOM 0 HA ASN D 17 -1.769 4.492 4.283 1.00 0.00 H new ATOM 0 HB2 ASN D 17 -0.317 5.538 6.742 1.00 0.00 H new ATOM 0 HB3 ASN D 17 -1.813 4.625 6.752 1.00 0.00 H new ATOM 0 HD21 ASN D 17 1.609 2.641 6.964 1.00 0.00 H new ATOM 0 HD22 ASN D 17 1.342 4.336 7.386 1.00 0.00 H new ATOM 258 N ASP D 18 -1.264 7.648 5.019 1.00 0.00 N ATOM 259 CA ASP D 18 -1.883 8.964 5.087 1.00 0.00 C ATOM 260 C ASP D 18 -2.696 9.299 3.835 1.00 0.00 C ATOM 261 O ASP D 18 -3.510 10.225 3.848 1.00 0.00 O ATOM 262 CB ASP D 18 -0.795 10.017 5.269 1.00 0.00 C ATOM 263 CG ASP D 18 -0.118 9.945 6.617 1.00 0.00 C ATOM 264 OD1 ASP D 18 0.459 8.894 6.937 1.00 0.00 O ATOM 265 OD2 ASP D 18 -0.165 10.944 7.360 1.00 0.00 O1- ATOM 0 H ASP D 18 -0.247 7.662 5.099 1.00 0.00 H new ATOM 0 HA ASP D 18 -2.571 8.958 5.932 1.00 0.00 H new ATOM 0 HB2 ASP D 18 -0.046 9.896 4.486 1.00 0.00 H new ATOM 0 HB3 ASP D 18 -1.232 11.007 5.141 1.00 0.00 H new ATOM 270 N LYS D 19 -2.472 8.556 2.759 1.00 0.00 N ATOM 271 CA LYS D 19 -3.176 8.786 1.504 1.00 0.00 C ATOM 272 C LYS D 19 -4.413 7.953 1.470 1.00 0.00 C ATOM 273 O LYS D 19 -5.439 8.326 0.927 1.00 0.00 O ATOM 274 CB LYS D 19 -2.292 8.381 0.381 1.00 0.00 C ATOM 275 CG LYS D 19 -0.960 9.029 0.536 1.00 0.00 C ATOM 276 CD LYS D 19 0.039 8.366 -0.325 1.00 0.00 C ATOM 277 CE LYS D 19 1.413 8.645 0.218 1.00 0.00 C ATOM 278 NZ LYS D 19 1.788 10.081 0.127 1.00 0.00 N1+ ATOM 0 H LYS D 19 -1.805 7.785 2.730 1.00 0.00 H new ATOM 0 HA LYS D 19 -3.441 9.840 1.416 1.00 0.00 H new ATOM 0 HB2 LYS D 19 -2.181 7.297 0.365 1.00 0.00 H new ATOM 0 HB3 LYS D 19 -2.740 8.669 -0.570 1.00 0.00 H new ATOM 0 HG2 LYS D 19 -1.030 10.085 0.276 1.00 0.00 H new ATOM 0 HG3 LYS D 19 -0.643 8.978 1.578 1.00 0.00 H new ATOM 0 HD2 LYS D 19 -0.143 7.292 -0.355 1.00 0.00 H new ATOM 0 HD3 LYS D 19 -0.043 8.732 -1.348 1.00 0.00 H new ATOM 0 HE2 LYS D 19 1.458 8.328 1.260 1.00 0.00 H new ATOM 0 HE3 LYS D 19 2.143 8.048 -0.329 1.00 0.00 H new ATOM 0 HZ1 LYS D 19 2.774 10.203 0.436 1.00 0.00 H new ATOM 0 HZ2 LYS D 19 1.691 10.403 -0.857 1.00 0.00 H new ATOM 0 HZ3 LYS D 19 1.162 10.643 0.738 1.00 0.00 H new ATOM 292 N LEU D 20 -4.238 6.764 1.977 1.00 0.00 N ATOM 293 CA LEU D 20 -5.255 5.758 1.953 1.00 0.00 C ATOM 294 C LEU D 20 -6.220 5.983 3.102 1.00 0.00 C ATOM 295 O LEU D 20 -7.432 5.826 2.968 1.00 0.00 O ATOM 296 CB LEU D 20 -4.564 4.421 2.079 1.00 0.00 C ATOM 297 CG LEU D 20 -3.499 4.165 1.002 1.00 0.00 C ATOM 298 CD1 LEU D 20 -2.911 2.773 1.115 1.00 0.00 C ATOM 299 CD2 LEU D 20 -4.070 4.379 -0.390 1.00 0.00 C ATOM 0 H LEU D 20 -3.371 6.466 2.424 1.00 0.00 H new ATOM 0 HA LEU D 20 -5.830 5.795 1.027 1.00 0.00 H new ATOM 0 HB2 LEU D 20 -4.096 4.357 3.061 1.00 0.00 H new ATOM 0 HB3 LEU D 20 -5.313 3.630 2.030 1.00 0.00 H new ATOM 0 HG LEU D 20 -2.697 4.885 1.167 1.00 0.00 H new ATOM 0 HD11 LEU D 20 -2.162 2.630 0.336 1.00 0.00 H new ATOM 0 HD12 LEU D 20 -2.445 2.653 2.093 1.00 0.00 H new ATOM 0 HD13 LEU D 20 -3.703 2.033 0.997 1.00 0.00 H new ATOM 0 HD21 LEU D 20 -3.296 4.191 -1.134 1.00 0.00 H new ATOM 0 HD22 LEU D 20 -4.902 3.693 -0.551 1.00 0.00 H new ATOM 0 HD23 LEU D 20 -4.423 5.406 -0.485 1.00 0.00 H new ATOM 311 N ASN D 21 -5.665 6.494 4.193 1.00 0.00 N ATOM 312 CA ASN D 21 -6.447 6.918 5.333 1.00 0.00 C ATOM 313 C ASN D 21 -7.198 8.199 4.993 1.00 0.00 C ATOM 314 O ASN D 21 -6.626 9.285 5.077 1.00 0.00 O ATOM 315 CB ASN D 21 -5.550 7.167 6.565 1.00 0.00 C ATOM 316 CG ASN D 21 -5.100 5.896 7.266 1.00 0.00 C ATOM 317 OD1 ASN D 21 -5.922 5.105 7.717 1.00 0.00 O ATOM 318 ND2 ASN D 21 -3.799 5.702 7.395 1.00 0.00 N ATOM 0 H ASN D 21 -4.660 6.624 4.307 1.00 0.00 H new ATOM 0 HA ASN D 21 -7.152 6.122 5.573 1.00 0.00 H new ATOM 0 HB2 ASN D 21 -4.670 7.730 6.254 1.00 0.00 H new ATOM 0 HB3 ASN D 21 -6.092 7.790 7.276 1.00 0.00 H new ATOM 0 HD21 ASN D 21 -3.452 4.875 7.881 1.00 0.00 H new ATOM 0 HD22 ASN D 21 -3.142 6.379 7.008 1.00 0.00 H new ATOM 325 N LYS D 22 -8.435 8.087 4.510 1.00 0.00 N ATOM 326 CA LYS D 22 -9.151 9.286 4.057 1.00 0.00 C ATOM 327 C LYS D 22 -10.472 9.533 4.776 1.00 0.00 C ATOM 328 O LYS D 22 -10.805 10.680 5.067 1.00 0.00 O ATOM 329 CB LYS D 22 -9.366 9.260 2.542 1.00 0.00 C ATOM 330 CG LYS D 22 -8.111 9.600 1.749 1.00 0.00 C ATOM 331 CD LYS D 22 -8.354 9.515 0.252 1.00 0.00 C ATOM 332 CE LYS D 22 -7.178 10.051 -0.551 1.00 0.00 C ATOM 333 NZ LYS D 22 -6.847 11.457 -0.194 1.00 0.00 N1+ ATOM 0 H LYS D 22 -8.951 7.211 4.422 1.00 0.00 H new ATOM 0 HA LYS D 22 -8.504 10.123 4.318 1.00 0.00 H new ATOM 0 HB2 LYS D 22 -9.716 8.270 2.249 1.00 0.00 H new ATOM 0 HB3 LYS D 22 -10.154 9.966 2.282 1.00 0.00 H new ATOM 0 HG2 LYS D 22 -7.778 10.605 2.007 1.00 0.00 H new ATOM 0 HG3 LYS D 22 -7.308 8.917 2.027 1.00 0.00 H new ATOM 0 HD2 LYS D 22 -8.539 8.478 -0.026 1.00 0.00 H new ATOM 0 HD3 LYS D 22 -9.252 10.078 -0.001 1.00 0.00 H new ATOM 0 HE2 LYS D 22 -6.306 9.420 -0.380 1.00 0.00 H new ATOM 0 HE3 LYS D 22 -7.410 9.993 -1.614 1.00 0.00 H new ATOM 0 HZ1 LYS D 22 -6.281 11.884 -0.955 1.00 0.00 H new ATOM 0 HZ2 LYS D 22 -7.725 11.999 -0.069 1.00 0.00 H new ATOM 0 HZ3 LYS D 22 -6.303 11.471 0.692 1.00 0.00 H new ATOM 347 N GLY D 23 -11.253 8.497 5.019 1.00 0.00 N ATOM 348 CA GLY D 23 -12.531 8.701 5.643 1.00 0.00 C ATOM 349 C GLY D 23 -13.324 7.429 5.781 1.00 0.00 C ATOM 350 O GLY D 23 -13.160 6.708 6.764 1.00 0.00 O ATOM 0 H GLY D 23 -11.025 7.528 4.797 1.00 0.00 H new ATOM 0 HA2 GLY D 23 -12.382 9.140 6.630 1.00 0.00 H new ATOM 0 HA3 GLY D 23 -13.105 9.420 5.058 1.00 0.00 H new ATOM 354 N LYS D 24 -14.169 7.152 4.784 1.00 0.00 N ATOM 355 CA LYS D 24 -14.992 5.944 4.765 1.00 0.00 C ATOM 356 C LYS D 24 -14.139 4.737 5.098 1.00 0.00 C ATOM 357 O LYS D 24 -14.366 4.041 6.085 1.00 0.00 O ATOM 358 CB LYS D 24 -15.610 5.761 3.399 1.00 0.00 C ATOM 359 CG LYS D 24 -16.719 4.734 3.368 1.00 0.00 C ATOM 360 CD LYS D 24 -17.451 4.857 2.058 1.00 0.00 C ATOM 361 CE LYS D 24 -18.732 4.038 2.014 1.00 0.00 C ATOM 362 NZ LYS D 24 -19.366 4.078 0.672 1.00 0.00 N1+ ATOM 0 H LYS D 24 -14.300 7.756 3.973 1.00 0.00 H new ATOM 0 HA LYS D 24 -15.784 6.045 5.507 1.00 0.00 H new ATOM 0 HB2 LYS D 24 -16.003 6.718 3.056 1.00 0.00 H new ATOM 0 HB3 LYS D 24 -14.833 5.465 2.695 1.00 0.00 H new ATOM 0 HG2 LYS D 24 -16.308 3.730 3.479 1.00 0.00 H new ATOM 0 HG3 LYS D 24 -17.404 4.892 4.201 1.00 0.00 H new ATOM 0 HD2 LYS D 24 -17.690 5.905 1.879 1.00 0.00 H new ATOM 0 HD3 LYS D 24 -16.794 4.537 1.249 1.00 0.00 H new ATOM 0 HE2 LYS D 24 -18.512 3.004 2.281 1.00 0.00 H new ATOM 0 HE3 LYS D 24 -19.432 4.418 2.758 1.00 0.00 H new ATOM 0 HZ1 LYS D 24 -20.236 3.508 0.682 1.00 0.00 H new ATOM 0 HZ2 LYS D 24 -19.599 5.062 0.427 1.00 0.00 H new ATOM 0 HZ3 LYS D 24 -18.708 3.692 -0.035 1.00 0.00 H new ATOM 376 N GLY D 25 -13.087 4.574 4.318 1.00 0.00 N ATOM 377 CA GLY D 25 -12.120 3.548 4.571 1.00 0.00 C ATOM 378 C GLY D 25 -10.718 4.064 4.468 1.00 0.00 C ATOM 379 O GLY D 25 -10.483 5.176 3.986 1.00 0.00 O ATOM 0 H GLY D 25 -12.888 5.150 3.500 1.00 0.00 H new ATOM 0 HA2 GLY D 25 -12.282 3.134 5.566 1.00 0.00 H new ATOM 0 HA3 GLY D 25 -12.260 2.734 3.860 1.00 0.00 H new ATOM 383 N LYS D 26 -9.837 3.366 5.137 1.00 0.00 N ATOM 384 CA LYS D 26 -8.493 3.829 5.362 1.00 0.00 C ATOM 385 C LYS D 26 -7.538 2.657 5.474 1.00 0.00 C ATOM 386 O LYS D 26 -7.976 1.517 5.543 1.00 0.00 O ATOM 387 CB LYS D 26 -8.518 4.661 6.605 1.00 0.00 C ATOM 388 CG LYS D 26 -9.501 4.102 7.577 1.00 0.00 C ATOM 389 CD LYS D 26 -9.824 5.064 8.714 1.00 0.00 C ATOM 390 CE LYS D 26 -10.475 6.349 8.216 1.00 0.00 C ATOM 391 NZ LYS D 26 -9.499 7.312 7.637 1.00 0.00 N1+ ATOM 0 H LYS D 26 -10.035 2.452 5.544 1.00 0.00 H new ATOM 0 HA LYS D 26 -8.135 4.430 4.526 1.00 0.00 H new ATOM 0 HB2 LYS D 26 -7.525 4.687 7.054 1.00 0.00 H new ATOM 0 HB3 LYS D 26 -8.783 5.689 6.358 1.00 0.00 H new ATOM 0 HG2 LYS D 26 -10.421 3.848 7.050 1.00 0.00 H new ATOM 0 HG3 LYS D 26 -9.106 3.175 7.993 1.00 0.00 H new ATOM 0 HD2 LYS D 26 -10.490 4.573 9.424 1.00 0.00 H new ATOM 0 HD3 LYS D 26 -8.908 5.308 9.252 1.00 0.00 H new ATOM 0 HE2 LYS D 26 -11.223 6.102 7.463 1.00 0.00 H new ATOM 0 HE3 LYS D 26 -11.001 6.827 9.043 1.00 0.00 H new ATOM 0 HZ1 LYS D 26 -9.600 8.234 8.108 1.00 0.00 H new ATOM 0 HZ2 LYS D 26 -8.533 6.954 7.779 1.00 0.00 H new ATOM 0 HZ3 LYS D 26 -9.682 7.422 6.619 1.00 0.00 H new ATOM 405 N LEU D 27 -6.258 2.917 5.325 1.00 0.00 N ATOM 406 CA LEU D 27 -5.287 1.847 5.232 1.00 0.00 C ATOM 407 C LEU D 27 -4.087 2.090 6.146 1.00 0.00 C ATOM 408 O LEU D 27 -3.628 3.217 6.288 1.00 0.00 O ATOM 409 CB LEU D 27 -4.887 1.745 3.803 1.00 0.00 C ATOM 410 CG LEU D 27 -3.980 0.583 3.431 1.00 0.00 C ATOM 411 CD1 LEU D 27 -2.546 0.776 3.892 1.00 0.00 C ATOM 412 CD2 LEU D 27 -4.537 -0.735 3.953 1.00 0.00 C ATOM 0 H LEU D 27 -5.865 3.856 5.266 1.00 0.00 H new ATOM 0 HA LEU D 27 -5.722 0.907 5.570 1.00 0.00 H new ATOM 0 HB2 LEU D 27 -5.792 1.677 3.200 1.00 0.00 H new ATOM 0 HB3 LEU D 27 -4.386 2.672 3.523 1.00 0.00 H new ATOM 0 HG LEU D 27 -3.958 0.551 2.342 1.00 0.00 H new ATOM 0 HD11 LEU D 27 -1.949 -0.087 3.596 1.00 0.00 H new ATOM 0 HD12 LEU D 27 -2.135 1.676 3.434 1.00 0.00 H new ATOM 0 HD13 LEU D 27 -2.523 0.878 4.977 1.00 0.00 H new ATOM 0 HD21 LEU D 27 -3.868 -1.549 3.673 1.00 0.00 H new ATOM 0 HD22 LEU D 27 -4.619 -0.691 5.039 1.00 0.00 H new ATOM 0 HD23 LEU D 27 -5.523 -0.910 3.521 1.00 0.00 H new ATOM 424 N SER D 28 -3.573 1.020 6.726 1.00 0.00 N ATOM 425 CA SER D 28 -2.411 1.082 7.596 1.00 0.00 C ATOM 426 C SER D 28 -1.467 -0.067 7.282 1.00 0.00 C ATOM 427 O SER D 28 -1.920 -1.171 6.977 1.00 0.00 O ATOM 428 CB SER D 28 -2.858 0.965 9.046 1.00 0.00 C ATOM 429 OG SER D 28 -3.765 2.004 9.396 1.00 0.00 O ATOM 0 H SER D 28 -3.951 0.080 6.607 1.00 0.00 H new ATOM 0 HA SER D 28 -1.899 2.031 7.436 1.00 0.00 H new ATOM 0 HB2 SER D 28 -3.333 -0.003 9.205 1.00 0.00 H new ATOM 0 HB3 SER D 28 -1.987 1.004 9.701 1.00 0.00 H new ATOM 0 HG SER D 28 -4.035 1.901 10.332 1.00 0.00 H new ATOM 435 N LEU D 29 -0.165 0.163 7.402 1.00 0.00 N ATOM 436 CA LEU D 29 0.799 -0.900 7.174 1.00 0.00 C ATOM 437 C LEU D 29 1.914 -0.851 8.207 1.00 0.00 C ATOM 438 O LEU D 29 2.226 0.205 8.758 1.00 0.00 O ATOM 439 CB LEU D 29 1.421 -0.797 5.791 1.00 0.00 C ATOM 440 CG LEU D 29 0.433 -0.632 4.646 1.00 0.00 C ATOM 441 CD1 LEU D 29 1.153 -0.207 3.378 1.00 0.00 C ATOM 442 CD2 LEU D 29 -0.305 -1.930 4.394 1.00 0.00 C ATOM 0 H LEU D 29 0.241 1.064 7.653 1.00 0.00 H new ATOM 0 HA LEU D 29 0.257 -1.842 7.258 1.00 0.00 H new ATOM 0 HB2 LEU D 29 2.108 0.049 5.781 1.00 0.00 H new ATOM 0 HB3 LEU D 29 2.016 -1.692 5.610 1.00 0.00 H new ATOM 0 HG LEU D 29 -0.283 0.140 4.926 1.00 0.00 H new ATOM 0 HD11 LEU D 29 0.430 -0.094 2.570 1.00 0.00 H new ATOM 0 HD12 LEU D 29 1.659 0.743 3.548 1.00 0.00 H new ATOM 0 HD13 LEU D 29 1.887 -0.965 3.105 1.00 0.00 H new ATOM 0 HD21 LEU D 29 -1.008 -1.795 3.572 1.00 0.00 H new ATOM 0 HD22 LEU D 29 0.410 -2.711 4.136 1.00 0.00 H new ATOM 0 HD23 LEU D 29 -0.849 -2.220 5.293 1.00 0.00 H new ATOM 454 N SER D 30 2.568 -1.983 8.387 1.00 0.00 N ATOM 455 CA SER D 30 3.723 -2.093 9.261 1.00 0.00 C ATOM 456 C SER D 30 4.499 -3.343 8.865 1.00 0.00 C ATOM 457 O SER D 30 4.102 -4.046 7.934 1.00 0.00 O ATOM 458 CB SER D 30 3.271 -2.162 10.729 1.00 0.00 C ATOM 459 OG SER D 30 4.375 -2.233 11.623 1.00 0.00 O ATOM 0 H SER D 30 2.312 -2.858 7.929 1.00 0.00 H new ATOM 0 HA SER D 30 4.365 -1.218 9.158 1.00 0.00 H new ATOM 0 HB2 SER D 30 2.669 -1.284 10.965 1.00 0.00 H new ATOM 0 HB3 SER D 30 2.632 -3.034 10.871 1.00 0.00 H new ATOM 0 HG SER D 30 4.047 -2.274 12.546 1.00 0.00 H new ATOM 465 N MET D 31 5.543 -3.672 9.606 1.00 0.00 N ATOM 466 CA MET D 31 6.278 -4.899 9.355 1.00 0.00 C ATOM 467 C MET D 31 6.890 -5.438 10.632 1.00 0.00 C ATOM 468 O MET D 31 7.644 -4.754 11.327 1.00 0.00 O ATOM 469 CB MET D 31 7.353 -4.706 8.275 1.00 0.00 C ATOM 470 CG MET D 31 8.404 -3.663 8.607 1.00 0.00 C ATOM 471 SD MET D 31 9.644 -3.520 7.308 1.00 0.00 S ATOM 472 CE MET D 31 10.722 -2.282 8.013 1.00 0.00 C ATOM 0 H MET D 31 5.899 -3.111 10.380 1.00 0.00 H new ATOM 0 HA MET D 31 5.564 -5.633 8.982 1.00 0.00 H new ATOM 0 HB2 MET D 31 7.850 -5.660 8.101 1.00 0.00 H new ATOM 0 HB3 MET D 31 6.865 -4.426 7.341 1.00 0.00 H new ATOM 0 HG2 MET D 31 7.922 -2.697 8.756 1.00 0.00 H new ATOM 0 HG3 MET D 31 8.891 -3.925 9.546 1.00 0.00 H new ATOM 0 HE1 MET D 31 11.590 -2.146 7.368 1.00 0.00 H new ATOM 0 HE2 MET D 31 10.184 -1.338 8.101 1.00 0.00 H new ATOM 0 HE3 MET D 31 11.051 -2.606 9.001 1.00 0.00 H new ATOM 482 N ASN D 32 6.601 -6.695 10.893 1.00 0.00 N ATOM 483 CA ASN D 32 7.157 -7.394 12.035 1.00 0.00 C ATOM 484 C ASN D 32 8.440 -8.078 11.589 1.00 0.00 C ATOM 485 O ASN D 32 8.403 -9.151 10.986 1.00 0.00 O ATOM 486 CB ASN D 32 6.146 -8.423 12.556 1.00 0.00 C ATOM 487 CG ASN D 32 6.582 -9.109 13.841 1.00 0.00 C ATOM 488 OD1 ASN D 32 7.698 -8.677 14.413 1.00 0.00 O flip ATOM 489 ND2 ASN D 32 5.898 -10.006 14.330 1.00 0.00 N flip ATOM 0 H ASN D 32 5.975 -7.262 10.321 1.00 0.00 H new ATOM 0 HA ASN D 32 7.374 -6.697 12.844 1.00 0.00 H new ATOM 0 HB2 ASN D 32 5.190 -7.927 12.725 1.00 0.00 H new ATOM 0 HB3 ASN D 32 5.981 -9.179 11.788 1.00 0.00 H new ATOM 0 HD21 ASN D 32 5.046 -10.311 13.860 1.00 0.00 H new ATOM 0 HD22 ASN D 32 6.183 -10.445 15.206 1.00 0.00 H new ATOM 496 N GLY D 33 9.545 -7.352 11.696 1.00 0.00 N ATOM 497 CA GLY D 33 10.781 -7.811 11.091 1.00 0.00 C ATOM 498 C GLY D 33 10.773 -7.540 9.603 1.00 0.00 C ATOM 499 O GLY D 33 10.823 -6.384 9.182 1.00 0.00 O ATOM 0 H GLY D 33 9.609 -6.460 12.187 1.00 0.00 H new ATOM 0 HA2 GLY D 33 11.629 -7.307 11.554 1.00 0.00 H new ATOM 0 HA3 GLY D 33 10.907 -8.878 11.272 1.00 0.00 H new ATOM 503 N ASN D 34 10.559 -8.585 8.816 1.00 0.00 N ATOM 504 CA ASN D 34 10.374 -8.429 7.378 1.00 0.00 C ATOM 505 C ASN D 34 9.013 -8.976 6.967 1.00 0.00 C ATOM 506 O ASN D 34 8.846 -9.511 5.871 1.00 0.00 O ATOM 507 CB ASN D 34 11.488 -9.130 6.600 1.00 0.00 C ATOM 508 CG ASN D 34 12.854 -8.547 6.897 1.00 0.00 C ATOM 509 OD1 ASN D 34 13.098 -7.356 6.684 1.00 0.00 O ATOM 510 ND2 ASN D 34 13.757 -9.381 7.389 1.00 0.00 N ATOM 0 H ASN D 34 10.509 -9.549 9.147 1.00 0.00 H new ATOM 0 HA ASN D 34 10.418 -7.366 7.140 1.00 0.00 H new ATOM 0 HB2 ASN D 34 11.487 -10.192 6.847 1.00 0.00 H new ATOM 0 HB3 ASN D 34 11.287 -9.051 5.532 1.00 0.00 H new ATOM 0 HD21 ASN D 34 14.695 -9.046 7.607 1.00 0.00 H new ATOM 0 HD22 ASN D 34 13.514 -10.358 7.550 1.00 0.00 H new ATOM 517 N GLN D 35 8.048 -8.864 7.873 1.00 0.00 N ATOM 518 CA GLN D 35 6.702 -9.364 7.635 1.00 0.00 C ATOM 519 C GLN D 35 5.756 -8.198 7.430 1.00 0.00 C ATOM 520 O GLN D 35 5.577 -7.386 8.327 1.00 0.00 O ATOM 521 CB GLN D 35 6.218 -10.175 8.821 1.00 0.00 C ATOM 522 CG GLN D 35 5.019 -11.038 8.487 1.00 0.00 C ATOM 523 CD GLN D 35 4.481 -11.779 9.681 1.00 0.00 C ATOM 524 OE1 GLN D 35 5.190 -12.545 10.334 1.00 0.00 O ATOM 525 NE2 GLN D 35 3.215 -11.557 9.954 1.00 0.00 N ATOM 0 H GLN D 35 8.176 -8.427 8.786 1.00 0.00 H new ATOM 0 HA GLN D 35 6.722 -9.997 6.748 1.00 0.00 H new ATOM 0 HB2 GLN D 35 7.029 -10.809 9.178 1.00 0.00 H new ATOM 0 HB3 GLN D 35 5.959 -9.500 9.637 1.00 0.00 H new ATOM 0 HG2 GLN D 35 4.231 -10.411 8.069 1.00 0.00 H new ATOM 0 HG3 GLN D 35 5.298 -11.756 7.715 1.00 0.00 H new ATOM 0 HE21 GLN D 35 2.675 -10.911 9.378 1.00 0.00 H new ATOM 0 HE22 GLN D 35 2.772 -12.031 10.742 1.00 0.00 H new ATOM 534 N LEU D 36 5.188 -8.094 6.249 1.00 0.00 N ATOM 535 CA LEU D 36 4.308 -6.984 5.919 1.00 0.00 C ATOM 536 C LEU D 36 2.921 -7.169 6.527 1.00 0.00 C ATOM 537 O LEU D 36 2.415 -8.288 6.636 1.00 0.00 O ATOM 538 CB LEU D 36 4.315 -6.827 4.393 1.00 0.00 C ATOM 539 CG LEU D 36 3.275 -5.908 3.710 1.00 0.00 C ATOM 540 CD1 LEU D 36 1.860 -6.459 3.812 1.00 0.00 C ATOM 541 CD2 LEU D 36 3.331 -4.497 4.276 1.00 0.00 C ATOM 0 H LEU D 36 5.318 -8.767 5.494 1.00 0.00 H new ATOM 0 HA LEU D 36 4.665 -6.053 6.359 1.00 0.00 H new ATOM 0 HB2 LEU D 36 5.304 -6.467 4.108 1.00 0.00 H new ATOM 0 HB3 LEU D 36 4.201 -7.822 3.963 1.00 0.00 H new ATOM 0 HG LEU D 36 3.540 -5.874 2.653 1.00 0.00 H new ATOM 0 HD11 LEU D 36 1.168 -5.778 3.318 1.00 0.00 H new ATOM 0 HD12 LEU D 36 1.814 -7.436 3.330 1.00 0.00 H new ATOM 0 HD13 LEU D 36 1.583 -6.559 4.862 1.00 0.00 H new ATOM 0 HD21 LEU D 36 2.589 -3.875 3.776 1.00 0.00 H new ATOM 0 HD22 LEU D 36 3.120 -4.525 5.345 1.00 0.00 H new ATOM 0 HD23 LEU D 36 4.324 -4.079 4.113 1.00 0.00 H new ATOM 553 N LYS D 37 2.425 -6.079 7.111 1.00 0.00 N ATOM 554 CA LYS D 37 1.228 -6.106 7.940 1.00 0.00 C ATOM 555 C LYS D 37 0.288 -4.955 7.563 1.00 0.00 C ATOM 556 O LYS D 37 0.653 -3.795 7.704 1.00 0.00 O ATOM 557 CB LYS D 37 1.653 -5.942 9.404 1.00 0.00 C ATOM 558 CG LYS D 37 2.776 -6.886 9.830 1.00 0.00 C ATOM 559 CD LYS D 37 2.357 -8.356 9.885 1.00 0.00 C ATOM 560 CE LYS D 37 1.371 -8.664 11.015 1.00 0.00 C ATOM 561 NZ LYS D 37 0.081 -7.936 10.888 1.00 0.00 N1+ ATOM 0 H LYS D 37 2.844 -5.154 7.021 1.00 0.00 H new ATOM 0 HA LYS D 37 0.704 -7.050 7.790 1.00 0.00 H new ATOM 0 HB2 LYS D 37 1.975 -4.913 9.566 1.00 0.00 H new ATOM 0 HB3 LYS D 37 0.787 -6.110 10.045 1.00 0.00 H new ATOM 0 HG2 LYS D 37 3.610 -6.781 9.136 1.00 0.00 H new ATOM 0 HG3 LYS D 37 3.139 -6.584 10.812 1.00 0.00 H new ATOM 0 HD2 LYS D 37 1.905 -8.633 8.933 1.00 0.00 H new ATOM 0 HD3 LYS D 37 3.245 -8.975 10.009 1.00 0.00 H new ATOM 0 HE2 LYS D 37 1.174 -9.736 11.033 1.00 0.00 H new ATOM 0 HE3 LYS D 37 1.832 -8.408 11.969 1.00 0.00 H new ATOM 0 HZ1 LYS D 37 -0.693 -8.538 11.234 1.00 0.00 H new ATOM 0 HZ2 LYS D 37 0.118 -7.063 11.452 1.00 0.00 H new ATOM 0 HZ3 LYS D 37 -0.086 -7.697 9.890 1.00 0.00 H new ATOM 575 N ALA D 38 -0.903 -5.274 7.078 1.00 0.00 N ATOM 576 CA ALA D 38 -1.871 -4.253 6.674 1.00 0.00 C ATOM 577 C ALA D 38 -3.123 -4.267 7.538 1.00 0.00 C ATOM 578 O ALA D 38 -3.531 -5.306 8.061 1.00 0.00 O ATOM 579 CB ALA D 38 -2.259 -4.450 5.218 1.00 0.00 C ATOM 0 H ALA D 38 -1.227 -6.233 6.953 1.00 0.00 H new ATOM 0 HA ALA D 38 -1.388 -3.285 6.806 1.00 0.00 H new ATOM 0 HB1 ALA D 38 -2.979 -3.686 4.927 1.00 0.00 H new ATOM 0 HB2 ALA D 38 -1.371 -4.370 4.591 1.00 0.00 H new ATOM 0 HB3 ALA D 38 -2.705 -5.436 5.091 1.00 0.00 H new ATOM 585 N THR D 39 -3.749 -3.099 7.626 1.00 0.00 N ATOM 586 CA THR D 39 -4.993 -2.906 8.357 1.00 0.00 C ATOM 587 C THR D 39 -5.813 -1.774 7.732 1.00 0.00 C ATOM 588 O THR D 39 -5.317 -0.677 7.549 1.00 0.00 O ATOM 589 CB THR D 39 -4.698 -2.599 9.832 1.00 0.00 C ATOM 590 OG1 THR D 39 -3.609 -1.706 9.954 1.00 0.00 O ATOM 591 CG2 THR D 39 -4.397 -3.820 10.672 1.00 0.00 C ATOM 0 H THR D 39 -3.400 -2.248 7.185 1.00 0.00 H new ATOM 0 HA THR D 39 -5.576 -3.825 8.300 1.00 0.00 H new ATOM 0 HB THR D 39 -5.619 -2.154 10.210 1.00 0.00 H new ATOM 0 HG1 THR D 39 -3.440 -1.523 10.902 1.00 0.00 H new ATOM 0 HG21 THR D 39 -4.200 -3.515 11.700 1.00 0.00 H new ATOM 0 HG22 THR D 39 -5.252 -4.496 10.651 1.00 0.00 H new ATOM 0 HG23 THR D 39 -3.521 -4.331 10.271 1.00 0.00 H new ATOM 599 N SER D 40 -7.103 -1.994 7.552 1.00 0.00 N ATOM 600 CA SER D 40 -8.003 -0.931 7.118 1.00 0.00 C ATOM 601 C SER D 40 -8.866 -0.547 8.279 1.00 0.00 C ATOM 602 O SER D 40 -9.355 -1.408 9.010 1.00 0.00 O ATOM 603 CB SER D 40 -8.879 -1.384 5.965 1.00 0.00 C ATOM 604 OG SER D 40 -9.809 -0.382 5.589 1.00 0.00 O ATOM 0 H SER D 40 -7.554 -2.897 7.698 1.00 0.00 H new ATOM 0 HA SER D 40 -7.412 -0.083 6.773 1.00 0.00 H new ATOM 0 HB2 SER D 40 -8.253 -1.639 5.110 1.00 0.00 H new ATOM 0 HB3 SER D 40 -9.415 -2.290 6.249 1.00 0.00 H new ATOM 0 HG SER D 40 -9.346 0.478 5.502 1.00 0.00 H new ATOM 610 N SER D 41 -9.041 0.730 8.474 1.00 0.00 N ATOM 611 CA SER D 41 -9.850 1.164 9.594 1.00 0.00 C ATOM 612 C SER D 41 -11.273 1.432 9.127 1.00 0.00 C ATOM 613 O SER D 41 -11.516 1.565 7.918 1.00 0.00 O ATOM 614 CB SER D 41 -9.233 2.373 10.297 1.00 0.00 C ATOM 615 OG SER D 41 -10.032 2.810 11.384 1.00 0.00 O ATOM 0 H SER D 41 -8.651 1.474 7.896 1.00 0.00 H new ATOM 0 HA SER D 41 -9.882 0.366 10.336 1.00 0.00 H new ATOM 0 HB2 SER D 41 -8.237 2.116 10.657 1.00 0.00 H new ATOM 0 HB3 SER D 41 -9.113 3.188 9.583 1.00 0.00 H new ATOM 0 HG SER D 41 -9.608 3.583 11.812 1.00 0.00 H new ATOM 621 N ASN D 42 -12.206 1.255 10.071 1.00 0.00 N ATOM 622 CA ASN D 42 -13.648 1.194 9.798 1.00 0.00 C ATOM 623 C ASN D 42 -14.018 -0.197 9.304 1.00 0.00 C ATOM 624 O ASN D 42 -15.185 -0.484 9.041 1.00 0.00 O ATOM 625 CB ASN D 42 -14.119 2.266 8.811 1.00 0.00 C ATOM 626 CG ASN D 42 -13.925 3.662 9.359 1.00 0.00 C ATOM 627 OD1 ASN D 42 -14.453 4.005 10.417 1.00 0.00 O ATOM 628 ND2 ASN D 42 -13.168 4.479 8.648 1.00 0.00 N ATOM 0 H ASN D 42 -11.978 1.149 11.059 1.00 0.00 H new ATOM 0 HA ASN D 42 -14.164 1.401 10.736 1.00 0.00 H new ATOM 0 HB2 ASN D 42 -13.570 2.164 7.875 1.00 0.00 H new ATOM 0 HB3 ASN D 42 -15.173 2.110 8.581 1.00 0.00 H new ATOM 0 HD21 ASN D 42 -13.003 5.432 8.971 1.00 0.00 H new ATOM 0 HD22 ASN D 42 -12.748 4.156 7.776 1.00 0.00 H new ATOM 635 N ALA D 43 -13.027 -1.089 9.355 1.00 0.00 N ATOM 636 CA ALA D 43 -13.215 -2.515 9.100 1.00 0.00 C ATOM 637 C ALA D 43 -13.889 -2.810 7.759 1.00 0.00 C ATOM 638 O ALA D 43 -14.849 -3.580 7.710 1.00 0.00 O ATOM 639 CB ALA D 43 -14.002 -3.148 10.239 1.00 0.00 C ATOM 0 H ALA D 43 -12.064 -0.838 9.577 1.00 0.00 H new ATOM 0 HA ALA D 43 -12.220 -2.956 9.045 1.00 0.00 H new ATOM 0 HB1 ALA D 43 -14.138 -4.211 10.041 1.00 0.00 H new ATOM 0 HB2 ALA D 43 -13.456 -3.020 11.174 1.00 0.00 H new ATOM 0 HB3 ALA D 43 -14.977 -2.667 10.319 1.00 0.00 H new ATOM 645 N GLY D 44 -13.268 -2.390 6.659 1.00 0.00 N ATOM 646 CA GLY D 44 -13.730 -2.854 5.369 1.00 0.00 C ATOM 647 C GLY D 44 -14.513 -1.842 4.571 1.00 0.00 C ATOM 648 O GLY D 44 -15.409 -2.221 3.826 1.00 0.00 O ATOM 0 H GLY D 44 -12.472 -1.752 6.639 1.00 0.00 H new ATOM 0 HA2 GLY D 44 -12.867 -3.168 4.782 1.00 0.00 H new ATOM 0 HA3 GLY D 44 -14.352 -3.737 5.518 1.00 0.00 H new ATOM 652 N TYR D 45 -14.123 -0.579 4.622 1.00 0.00 N ATOM 653 CA TYR D 45 -14.737 0.427 3.768 1.00 0.00 C ATOM 654 C TYR D 45 -13.700 0.993 2.802 1.00 0.00 C ATOM 655 O TYR D 45 -12.507 0.994 3.099 1.00 0.00 O ATOM 656 CB TYR D 45 -15.373 1.556 4.589 1.00 0.00 C ATOM 657 CG TYR D 45 -16.624 1.148 5.364 1.00 0.00 C ATOM 658 CD1 TYR D 45 -17.809 1.886 5.284 1.00 0.00 C ATOM 659 CD2 TYR D 45 -16.622 0.022 6.179 1.00 0.00 C ATOM 660 CE1 TYR D 45 -18.936 1.506 5.986 1.00 0.00 C ATOM 661 CE2 TYR D 45 -17.747 -0.359 6.882 1.00 0.00 C ATOM 662 CZ TYR D 45 -18.899 0.386 6.782 1.00 0.00 C ATOM 663 OH TYR D 45 -20.022 0.007 7.480 1.00 0.00 O ATOM 0 H TYR D 45 -13.391 -0.227 5.239 1.00 0.00 H new ATOM 0 HA TYR D 45 -15.533 -0.055 3.201 1.00 0.00 H new ATOM 0 HB2 TYR D 45 -14.633 1.937 5.293 1.00 0.00 H new ATOM 0 HB3 TYR D 45 -15.628 2.377 3.918 1.00 0.00 H new ATOM 0 HD1 TYR D 45 -17.844 2.769 4.662 1.00 0.00 H new ATOM 0 HD2 TYR D 45 -15.721 -0.567 6.264 1.00 0.00 H new ATOM 0 HE1 TYR D 45 -19.843 2.087 5.910 1.00 0.00 H new ATOM 0 HE2 TYR D 45 -17.723 -1.239 7.508 1.00 0.00 H new ATOM 0 HH TYR D 45 -19.829 -0.805 7.993 1.00 0.00 H new ATOM 673 N GLY D 46 -14.162 1.493 1.662 1.00 0.00 N ATOM 674 CA GLY D 46 -13.262 2.094 0.686 1.00 0.00 C ATOM 675 C GLY D 46 -13.169 3.586 0.887 1.00 0.00 C ATOM 676 O GLY D 46 -13.778 4.098 1.812 1.00 0.00 O ATOM 0 H GLY D 46 -15.146 1.495 1.392 1.00 0.00 H new ATOM 0 HA2 GLY D 46 -12.271 1.648 0.776 1.00 0.00 H new ATOM 0 HA3 GLY D 46 -13.617 1.880 -0.322 1.00 0.00 H new ATOM 680 N ILE D 47 -12.483 4.294 -0.015 1.00 0.00 N ATOM 681 CA ILE D 47 -12.411 5.757 0.046 1.00 0.00 C ATOM 682 C ILE D 47 -13.806 6.305 0.229 1.00 0.00 C ATOM 683 O ILE D 47 -14.099 7.044 1.169 1.00 0.00 O ATOM 684 CB ILE D 47 -11.900 6.354 -1.270 1.00 0.00 C ATOM 685 CG1 ILE D 47 -10.649 5.647 -1.763 1.00 0.00 C ATOM 686 CG2 ILE D 47 -11.626 7.842 -1.112 1.00 0.00 C ATOM 687 CD1 ILE D 47 -9.510 5.635 -0.765 1.00 0.00 C ATOM 0 H ILE D 47 -11.971 3.880 -0.794 1.00 0.00 H new ATOM 0 HA ILE D 47 -11.739 6.015 0.864 1.00 0.00 H new ATOM 0 HB ILE D 47 -12.683 6.210 -2.015 1.00 0.00 H new ATOM 0 HG12 ILE D 47 -10.903 4.619 -2.020 1.00 0.00 H new ATOM 0 HG13 ILE D 47 -10.309 6.130 -2.679 1.00 0.00 H new ATOM 0 HG21 ILE D 47 -11.264 8.248 -2.057 1.00 0.00 H new ATOM 0 HG22 ILE D 47 -12.545 8.353 -0.826 1.00 0.00 H new ATOM 0 HG23 ILE D 47 -10.872 7.993 -0.340 1.00 0.00 H new ATOM 0 HD11 ILE D 47 -8.656 5.112 -1.194 1.00 0.00 H new ATOM 0 HD12 ILE D 47 -9.225 6.660 -0.526 1.00 0.00 H new ATOM 0 HD13 ILE D 47 -9.828 5.125 0.144 1.00 0.00 H new ATOM 699 N SER D 48 -14.649 5.884 -0.700 1.00 0.00 N ATOM 700 CA SER D 48 -16.045 6.231 -0.737 1.00 0.00 C ATOM 701 C SER D 48 -16.649 5.574 -1.970 1.00 0.00 C ATOM 702 O SER D 48 -16.081 4.607 -2.482 1.00 0.00 O ATOM 703 CB SER D 48 -16.205 7.748 -0.783 1.00 0.00 C ATOM 704 OG SER D 48 -15.646 8.290 -1.964 1.00 0.00 O ATOM 0 H SER D 48 -14.365 5.275 -1.467 1.00 0.00 H new ATOM 0 HA SER D 48 -16.559 5.878 0.157 1.00 0.00 H new ATOM 0 HB2 SER D 48 -17.263 8.006 -0.728 1.00 0.00 H new ATOM 0 HB3 SER D 48 -15.723 8.193 0.087 1.00 0.00 H new ATOM 0 HG SER D 48 -15.765 9.263 -1.966 1.00 0.00 H new ATOM 710 N TYR D 49 -17.619 6.226 -2.588 1.00 0.00 N ATOM 711 CA TYR D 49 -18.045 5.813 -3.914 1.00 0.00 C ATOM 712 C TYR D 49 -17.110 6.407 -4.954 1.00 0.00 C ATOM 713 O TYR D 49 -17.428 7.409 -5.600 1.00 0.00 O ATOM 714 CB TYR D 49 -19.477 6.255 -4.186 1.00 0.00 C ATOM 715 CG TYR D 49 -20.548 5.325 -3.625 1.00 0.00 C ATOM 716 CD1 TYR D 49 -21.825 5.236 -4.197 1.00 0.00 C ATOM 717 CD2 TYR D 49 -20.279 4.519 -2.525 1.00 0.00 C ATOM 718 CE1 TYR D 49 -22.778 4.381 -3.683 1.00 0.00 C ATOM 719 CE2 TYR D 49 -21.235 3.664 -2.012 1.00 0.00 C ATOM 720 CZ TYR D 49 -22.479 3.601 -2.592 1.00 0.00 C ATOM 721 OH TYR D 49 -23.431 2.751 -2.081 1.00 0.00 O ATOM 0 H TYR D 49 -18.118 7.028 -2.203 1.00 0.00 H new ATOM 0 HA TYR D 49 -18.009 4.725 -3.970 1.00 0.00 H new ATOM 0 HB2 TYR D 49 -19.622 7.250 -3.765 1.00 0.00 H new ATOM 0 HB3 TYR D 49 -19.618 6.341 -5.263 1.00 0.00 H new ATOM 0 HD1 TYR D 49 -22.067 5.847 -5.054 1.00 0.00 H new ATOM 0 HD2 TYR D 49 -19.304 4.562 -2.063 1.00 0.00 H new ATOM 0 HE1 TYR D 49 -23.756 4.325 -4.137 1.00 0.00 H new ATOM 0 HE2 TYR D 49 -21.005 3.046 -1.157 1.00 0.00 H new ATOM 0 HH TYR D 49 -23.061 2.270 -1.312 1.00 0.00 H new ATOM 731 N GLU D 50 -15.928 5.818 -5.056 1.00 0.00 N ATOM 732 CA GLU D 50 -14.887 6.305 -5.945 1.00 0.00 C ATOM 733 C GLU D 50 -14.059 5.146 -6.489 1.00 0.00 C ATOM 734 O GLU D 50 -14.105 4.038 -5.951 1.00 0.00 O ATOM 735 CB GLU D 50 -13.981 7.295 -5.200 1.00 0.00 C ATOM 736 CG GLU D 50 -14.642 8.632 -4.901 1.00 0.00 C ATOM 737 CD GLU D 50 -13.748 9.580 -4.133 1.00 0.00 C ATOM 738 OE1 GLU D 50 -14.203 10.696 -3.812 1.00 0.00 O ATOM 739 OE2 GLU D 50 -12.595 9.213 -3.843 1.00 0.00 O1- ATOM 0 H GLU D 50 -15.665 4.989 -4.524 1.00 0.00 H new ATOM 0 HA GLU D 50 -15.359 6.815 -6.784 1.00 0.00 H new ATOM 0 HB2 GLU D 50 -13.659 6.842 -4.262 1.00 0.00 H new ATOM 0 HB3 GLU D 50 -13.084 7.469 -5.794 1.00 0.00 H new ATOM 0 HG2 GLU D 50 -14.938 9.102 -5.839 1.00 0.00 H new ATOM 0 HG3 GLU D 50 -15.554 8.459 -4.329 1.00 0.00 H new ATOM 746 N ASP D 51 -13.306 5.392 -7.558 1.00 0.00 N ATOM 747 CA ASP D 51 -12.490 4.339 -8.150 1.00 0.00 C ATOM 748 C ASP D 51 -11.034 4.761 -8.221 1.00 0.00 C ATOM 749 O ASP D 51 -10.719 5.870 -8.646 1.00 0.00 O ATOM 750 CB ASP D 51 -12.986 3.952 -9.551 1.00 0.00 C ATOM 751 CG ASP D 51 -14.467 3.630 -9.604 1.00 0.00 C ATOM 752 OD1 ASP D 51 -15.283 4.521 -9.305 1.00 0.00 O ATOM 753 OD2 ASP D 51 -14.817 2.492 -9.958 1.00 0.00 O1- ATOM 0 H ASP D 51 -13.244 6.297 -8.025 1.00 0.00 H new ATOM 0 HA ASP D 51 -12.580 3.465 -7.504 1.00 0.00 H new ATOM 0 HB2 ASP D 51 -12.776 4.770 -10.240 1.00 0.00 H new ATOM 0 HB3 ASP D 51 -12.422 3.087 -9.901 1.00 0.00 H new ATOM 758 N LYS D 52 -10.148 3.868 -7.788 1.00 0.00 N ATOM 759 CA LYS D 52 -8.717 4.130 -7.775 1.00 0.00 C ATOM 760 C LYS D 52 -7.972 2.868 -8.132 1.00 0.00 C ATOM 761 O LYS D 52 -8.066 1.875 -7.417 1.00 0.00 O ATOM 762 CB LYS D 52 -8.217 4.621 -6.414 1.00 0.00 C ATOM 763 CG LYS D 52 -8.766 5.966 -5.966 1.00 0.00 C ATOM 764 CD LYS D 52 -10.207 5.878 -5.490 1.00 0.00 C ATOM 765 CE LYS D 52 -10.736 7.263 -5.158 1.00 0.00 C ATOM 766 NZ LYS D 52 -10.648 8.199 -6.315 1.00 0.00 N1+ ATOM 0 H LYS D 52 -10.404 2.945 -7.437 1.00 0.00 H new ATOM 0 HA LYS D 52 -8.532 4.919 -8.504 1.00 0.00 H new ATOM 0 HB2 LYS D 52 -8.471 3.875 -5.661 1.00 0.00 H new ATOM 0 HB3 LYS D 52 -7.129 4.684 -6.446 1.00 0.00 H new ATOM 0 HG2 LYS D 52 -8.144 6.359 -5.161 1.00 0.00 H new ATOM 0 HG3 LYS D 52 -8.702 6.674 -6.792 1.00 0.00 H new ATOM 0 HD2 LYS D 52 -10.825 5.420 -6.262 1.00 0.00 H new ATOM 0 HD3 LYS D 52 -10.269 5.237 -4.611 1.00 0.00 H new ATOM 0 HE2 LYS D 52 -11.774 7.184 -4.836 1.00 0.00 H new ATOM 0 HE3 LYS D 52 -10.173 7.672 -4.320 1.00 0.00 H new ATOM 0 HZ1 LYS D 52 -11.472 8.833 -6.312 1.00 0.00 H new ATOM 0 HZ2 LYS D 52 -9.777 8.763 -6.240 1.00 0.00 H new ATOM 0 HZ3 LYS D 52 -10.633 7.655 -7.201 1.00 0.00 H new ATOM 780 N ASN D 53 -7.194 2.914 -9.194 1.00 0.00 N ATOM 781 CA ASN D 53 -6.387 1.766 -9.572 1.00 0.00 C ATOM 782 C ASN D 53 -5.028 1.857 -8.919 1.00 0.00 C ATOM 783 O ASN D 53 -4.437 2.935 -8.848 1.00 0.00 O ATOM 784 CB ASN D 53 -6.257 1.647 -11.087 1.00 0.00 C ATOM 785 CG ASN D 53 -7.571 1.285 -11.756 1.00 0.00 C ATOM 786 OD1 ASN D 53 -8.649 1.198 -10.977 1.00 0.00 O flip ATOM 787 ND2 ASN D 53 -7.623 1.100 -12.973 1.00 0.00 N flip ATOM 0 H ASN D 53 -7.102 3.724 -9.807 1.00 0.00 H new ATOM 0 HA ASN D 53 -6.889 0.864 -9.221 1.00 0.00 H new ATOM 0 HB2 ASN D 53 -5.894 2.591 -11.493 1.00 0.00 H new ATOM 0 HB3 ASN D 53 -5.510 0.890 -11.326 1.00 0.00 H new ATOM 0 HD21 ASN D 53 -6.776 1.175 -13.537 1.00 0.00 H new ATOM 0 HD22 ASN D 53 -8.513 0.872 -13.417 1.00 0.00 H new ATOM 794 N TRP D 54 -4.605 0.769 -8.305 1.00 0.00 N ATOM 795 CA TRP D 54 -3.399 0.798 -7.506 1.00 0.00 C ATOM 796 C TRP D 54 -2.367 -0.210 -7.959 1.00 0.00 C ATOM 797 O TRP D 54 -2.708 -1.275 -8.477 1.00 0.00 O ATOM 798 CB TRP D 54 -3.717 0.538 -6.047 1.00 0.00 C ATOM 799 CG TRP D 54 -3.449 1.717 -5.200 1.00 0.00 C ATOM 800 CD1 TRP D 54 -4.192 2.849 -5.045 1.00 0.00 C ATOM 801 CD2 TRP D 54 -2.274 1.892 -4.454 1.00 0.00 C ATOM 802 NE1 TRP D 54 -3.536 3.712 -4.197 1.00 0.00 N ATOM 803 CE2 TRP D 54 -2.346 3.140 -3.829 1.00 0.00 C ATOM 804 CE3 TRP D 54 -1.167 1.086 -4.248 1.00 0.00 C ATOM 805 CZ2 TRP D 54 -1.326 3.602 -3.013 1.00 0.00 C ATOM 806 CZ3 TRP D 54 -0.169 1.545 -3.444 1.00 0.00 C ATOM 807 CH2 TRP D 54 -0.253 2.793 -2.837 1.00 0.00 C ATOM 0 H TRP D 54 -5.074 -0.136 -8.344 1.00 0.00 H new ATOM 0 HA TRP D 54 -2.980 1.796 -7.635 1.00 0.00 H new ATOM 0 HB2 TRP D 54 -4.765 0.254 -5.950 1.00 0.00 H new ATOM 0 HB3 TRP D 54 -3.124 -0.305 -5.692 1.00 0.00 H new ATOM 0 HD1 TRP D 54 -5.146 3.039 -5.514 1.00 0.00 H new ATOM 0 HE1 TRP D 54 -3.878 4.624 -3.893 1.00 0.00 H new ATOM 0 HE3 TRP D 54 -1.097 0.115 -4.715 1.00 0.00 H new ATOM 0 HZ2 TRP D 54 -1.384 4.569 -2.536 1.00 0.00 H new ATOM 0 HZ3 TRP D 54 0.702 0.930 -3.275 1.00 0.00 H new ATOM 0 HH2 TRP D 54 0.559 3.127 -2.208 1.00 0.00 H new ATOM 818 N GLY D 55 -1.105 0.082 -7.655 1.00 0.00 N ATOM 819 CA GLY D 55 -0.054 -0.861 -7.937 1.00 0.00 C ATOM 820 C GLY D 55 1.059 -0.870 -6.906 1.00 0.00 C ATOM 821 O GLY D 55 1.252 0.071 -6.138 1.00 0.00 O ATOM 0 H GLY D 55 -0.799 0.953 -7.220 1.00 0.00 H new ATOM 0 HA2 GLY D 55 -0.484 -1.861 -8.001 1.00 0.00 H new ATOM 0 HA3 GLY D 55 0.372 -0.634 -8.914 1.00 0.00 H new ATOM 825 N ILE D 56 1.787 -1.959 -6.940 1.00 0.00 N ATOM 826 CA ILE D 56 2.932 -2.237 -6.079 1.00 0.00 C ATOM 827 C ILE D 56 4.002 -2.835 -6.966 1.00 0.00 C ATOM 828 O ILE D 56 3.754 -3.835 -7.633 1.00 0.00 O ATOM 829 CB ILE D 56 2.545 -3.264 -4.998 1.00 0.00 C ATOM 830 CG1 ILE D 56 1.370 -2.752 -4.166 1.00 0.00 C ATOM 831 CG2 ILE D 56 3.730 -3.578 -4.107 1.00 0.00 C ATOM 832 CD1 ILE D 56 0.861 -3.768 -3.172 1.00 0.00 C ATOM 0 H ILE D 56 1.596 -2.717 -7.596 1.00 0.00 H new ATOM 0 HA ILE D 56 3.275 -1.328 -5.584 1.00 0.00 H new ATOM 0 HB ILE D 56 2.239 -4.184 -5.497 1.00 0.00 H new ATOM 0 HG12 ILE D 56 1.675 -1.852 -3.632 1.00 0.00 H new ATOM 0 HG13 ILE D 56 0.557 -2.467 -4.833 1.00 0.00 H new ATOM 0 HG21 ILE D 56 3.434 -4.305 -3.351 1.00 0.00 H new ATOM 0 HG22 ILE D 56 4.539 -3.990 -4.710 1.00 0.00 H new ATOM 0 HG23 ILE D 56 4.070 -2.665 -3.619 1.00 0.00 H new ATOM 0 HD11 ILE D 56 0.027 -3.344 -2.613 1.00 0.00 H new ATOM 0 HD12 ILE D 56 0.526 -4.660 -3.702 1.00 0.00 H new ATOM 0 HD13 ILE D 56 1.662 -4.035 -2.482 1.00 0.00 H new ATOM 844 N PHE D 57 5.077 -2.109 -7.169 1.00 0.00 N ATOM 845 CA PHE D 57 6.009 -2.493 -8.208 1.00 0.00 C ATOM 846 C PHE D 57 7.266 -3.104 -7.610 1.00 0.00 C ATOM 847 O PHE D 57 8.203 -2.398 -7.247 1.00 0.00 O ATOM 848 CB PHE D 57 6.339 -1.293 -9.120 1.00 0.00 C ATOM 849 CG PHE D 57 5.109 -0.620 -9.693 1.00 0.00 C ATOM 850 CD1 PHE D 57 4.286 0.171 -8.897 1.00 0.00 C ATOM 851 CD2 PHE D 57 4.741 -0.822 -11.013 1.00 0.00 C ATOM 852 CE1 PHE D 57 3.147 0.734 -9.396 1.00 0.00 C ATOM 853 CE2 PHE D 57 3.593 -0.241 -11.523 1.00 0.00 C ATOM 854 CZ PHE D 57 2.796 0.537 -10.708 1.00 0.00 C ATOM 0 H PHE D 57 5.326 -1.270 -6.645 1.00 0.00 H new ATOM 0 HA PHE D 57 5.537 -3.256 -8.827 1.00 0.00 H new ATOM 0 HB2 PHE D 57 6.914 -0.561 -8.552 1.00 0.00 H new ATOM 0 HB3 PHE D 57 6.974 -1.632 -9.939 1.00 0.00 H new ATOM 0 HD1 PHE D 57 4.554 0.343 -7.865 1.00 0.00 H new ATOM 0 HD2 PHE D 57 5.356 -1.439 -11.651 1.00 0.00 H new ATOM 0 HE1 PHE D 57 2.520 1.337 -8.756 1.00 0.00 H new ATOM 0 HE2 PHE D 57 3.321 -0.396 -12.557 1.00 0.00 H new ATOM 0 HZ PHE D 57 1.898 0.990 -11.102 1.00 0.00 H new ATOM 864 N VAL D 58 7.297 -4.433 -7.586 1.00 0.00 N ATOM 865 CA VAL D 58 8.458 -5.178 -7.120 1.00 0.00 C ATOM 866 C VAL D 58 9.287 -5.625 -8.315 1.00 0.00 C ATOM 867 O VAL D 58 8.765 -6.280 -9.212 1.00 0.00 O ATOM 868 CB VAL D 58 8.043 -6.414 -6.291 1.00 0.00 C ATOM 869 CG1 VAL D 58 9.254 -7.231 -5.883 1.00 0.00 C ATOM 870 CG2 VAL D 58 7.265 -5.992 -5.056 1.00 0.00 C ATOM 0 H VAL D 58 6.520 -5.021 -7.888 1.00 0.00 H new ATOM 0 HA VAL D 58 9.046 -4.521 -6.478 1.00 0.00 H new ATOM 0 HB VAL D 58 7.404 -7.035 -6.919 1.00 0.00 H new ATOM 0 HG11 VAL D 58 8.931 -8.094 -5.301 1.00 0.00 H new ATOM 0 HG12 VAL D 58 9.781 -7.571 -6.775 1.00 0.00 H new ATOM 0 HG13 VAL D 58 9.922 -6.616 -5.280 1.00 0.00 H new ATOM 0 HG21 VAL D 58 6.981 -6.876 -4.485 1.00 0.00 H new ATOM 0 HG22 VAL D 58 7.887 -5.345 -4.438 1.00 0.00 H new ATOM 0 HG23 VAL D 58 6.368 -5.452 -5.358 1.00 0.00 H new ATOM 880 N ASN D 59 10.547 -5.195 -8.358 1.00 0.00 N ATOM 881 CA ASN D 59 11.436 -5.471 -9.493 1.00 0.00 C ATOM 882 C ASN D 59 10.960 -4.730 -10.738 1.00 0.00 C ATOM 883 O ASN D 59 11.123 -5.207 -11.863 1.00 0.00 O ATOM 884 CB ASN D 59 11.540 -6.973 -9.787 1.00 0.00 C ATOM 885 CG ASN D 59 12.120 -7.757 -8.629 1.00 0.00 C ATOM 886 OD1 ASN D 59 11.369 -8.734 -8.141 1.00 0.00 O flip ATOM 887 ND2 ASN D 59 13.234 -7.489 -8.183 1.00 0.00 N flip ATOM 0 H ASN D 59 10.981 -4.649 -7.614 1.00 0.00 H new ATOM 0 HA ASN D 59 12.429 -5.114 -9.219 1.00 0.00 H new ATOM 0 HB2 ASN D 59 10.550 -7.362 -10.024 1.00 0.00 H new ATOM 0 HB3 ASN D 59 12.161 -7.124 -10.670 1.00 0.00 H new ATOM 0 HD21 ASN D 59 13.777 -6.728 -8.590 1.00 0.00 H new ATOM 0 HD22 ASN D 59 13.615 -8.028 -7.406 1.00 0.00 H new ATOM 894 N GLY D 60 10.419 -3.535 -10.524 1.00 0.00 N ATOM 895 CA GLY D 60 9.975 -2.691 -11.616 1.00 0.00 C ATOM 896 C GLY D 60 8.832 -3.280 -12.407 1.00 0.00 C ATOM 897 O GLY D 60 8.789 -3.168 -13.632 1.00 0.00 O ATOM 0 H GLY D 60 10.279 -3.132 -9.597 1.00 0.00 H new ATOM 0 HA2 GLY D 60 9.669 -1.724 -11.216 1.00 0.00 H new ATOM 0 HA3 GLY D 60 10.814 -2.508 -12.287 1.00 0.00 H new ATOM 901 N GLU D 61 7.875 -3.850 -11.701 1.00 0.00 N ATOM 902 CA GLU D 61 6.687 -4.393 -12.315 1.00 0.00 C ATOM 903 C GLU D 61 5.542 -4.421 -11.313 1.00 0.00 C ATOM 904 O GLU D 61 5.752 -4.674 -10.127 1.00 0.00 O ATOM 905 CB GLU D 61 6.966 -5.793 -12.845 1.00 0.00 C ATOM 906 CG GLU D 61 7.381 -6.800 -11.786 1.00 0.00 C ATOM 907 CD GLU D 61 7.710 -8.152 -12.370 1.00 0.00 C ATOM 908 OE1 GLU D 61 8.035 -9.070 -11.593 1.00 0.00 O ATOM 909 OE2 GLU D 61 7.648 -8.294 -13.607 1.00 0.00 O1- ATOM 0 H GLU D 61 7.903 -3.948 -10.686 1.00 0.00 H new ATOM 0 HA GLU D 61 6.399 -3.755 -13.151 1.00 0.00 H new ATOM 0 HB2 GLU D 61 6.072 -6.162 -13.347 1.00 0.00 H new ATOM 0 HB3 GLU D 61 7.752 -5.732 -13.598 1.00 0.00 H new ATOM 0 HG2 GLU D 61 8.249 -6.419 -11.248 1.00 0.00 H new ATOM 0 HG3 GLU D 61 6.577 -6.908 -11.058 1.00 0.00 H new ATOM 916 N LYS D 62 4.339 -4.122 -11.781 1.00 0.00 N ATOM 917 CA LYS D 62 3.175 -4.078 -10.907 1.00 0.00 C ATOM 918 C LYS D 62 2.765 -5.498 -10.513 1.00 0.00 C ATOM 919 O LYS D 62 2.219 -6.246 -11.325 1.00 0.00 O ATOM 920 CB LYS D 62 2.032 -3.330 -11.607 1.00 0.00 C ATOM 921 CG LYS D 62 0.755 -3.211 -10.786 1.00 0.00 C ATOM 922 CD LYS D 62 -0.239 -2.256 -11.443 1.00 0.00 C ATOM 923 CE LYS D 62 -0.622 -2.694 -12.853 1.00 0.00 C ATOM 924 NZ LYS D 62 -1.307 -4.010 -12.867 1.00 0.00 N1+ ATOM 0 H LYS D 62 4.143 -3.907 -12.759 1.00 0.00 H new ATOM 0 HA LYS D 62 3.419 -3.538 -9.992 1.00 0.00 H new ATOM 0 HB2 LYS D 62 2.376 -2.329 -11.867 1.00 0.00 H new ATOM 0 HB3 LYS D 62 1.801 -3.840 -12.542 1.00 0.00 H new ATOM 0 HG2 LYS D 62 0.299 -4.195 -10.675 1.00 0.00 H new ATOM 0 HG3 LYS D 62 0.996 -2.856 -9.784 1.00 0.00 H new ATOM 0 HD2 LYS D 62 -1.137 -2.192 -10.829 1.00 0.00 H new ATOM 0 HD3 LYS D 62 0.193 -1.256 -11.481 1.00 0.00 H new ATOM 0 HE2 LYS D 62 -1.273 -1.943 -13.300 1.00 0.00 H new ATOM 0 HE3 LYS D 62 0.274 -2.747 -13.471 1.00 0.00 H new ATOM 0 HZ1 LYS D 62 -1.811 -4.129 -13.769 1.00 0.00 H new ATOM 0 HZ2 LYS D 62 -0.604 -4.769 -12.761 1.00 0.00 H new ATOM 0 HZ3 LYS D 62 -1.987 -4.056 -12.081 1.00 0.00 H new ATOM 938 N VAL D 63 3.168 -5.899 -9.314 1.00 0.00 N ATOM 939 CA VAL D 63 2.991 -7.271 -8.858 1.00 0.00 C ATOM 940 C VAL D 63 1.597 -7.494 -8.265 1.00 0.00 C ATOM 941 O VAL D 63 1.009 -8.565 -8.421 1.00 0.00 O ATOM 942 CB VAL D 63 4.091 -7.648 -7.844 1.00 0.00 C ATOM 943 CG1 VAL D 63 4.057 -6.748 -6.618 1.00 0.00 C ATOM 944 CG2 VAL D 63 4.006 -9.111 -7.441 1.00 0.00 C ATOM 0 H VAL D 63 3.623 -5.288 -8.636 1.00 0.00 H new ATOM 0 HA VAL D 63 3.081 -7.925 -9.725 1.00 0.00 H new ATOM 0 HB VAL D 63 5.047 -7.495 -8.344 1.00 0.00 H new ATOM 0 HG11 VAL D 63 4.846 -7.044 -5.927 1.00 0.00 H new ATOM 0 HG12 VAL D 63 4.211 -5.713 -6.922 1.00 0.00 H new ATOM 0 HG13 VAL D 63 3.089 -6.841 -6.125 1.00 0.00 H new ATOM 0 HG21 VAL D 63 4.797 -9.338 -6.726 1.00 0.00 H new ATOM 0 HG22 VAL D 63 3.036 -9.307 -6.983 1.00 0.00 H new ATOM 0 HG23 VAL D 63 4.124 -9.739 -8.324 1.00 0.00 H new ATOM 954 N TYR D 64 1.042 -6.459 -7.642 1.00 0.00 N ATOM 955 CA TYR D 64 -0.309 -6.539 -7.103 1.00 0.00 C ATOM 956 C TYR D 64 -1.110 -5.297 -7.466 1.00 0.00 C ATOM 957 O TYR D 64 -0.661 -4.170 -7.244 1.00 0.00 O ATOM 958 CB TYR D 64 -0.290 -6.727 -5.582 1.00 0.00 C ATOM 959 CG TYR D 64 -1.677 -6.882 -4.986 1.00 0.00 C ATOM 960 CD1 TYR D 64 -2.619 -7.707 -5.589 1.00 0.00 C ATOM 961 CD2 TYR D 64 -2.054 -6.198 -3.834 1.00 0.00 C ATOM 962 CE1 TYR D 64 -3.889 -7.841 -5.068 1.00 0.00 C ATOM 963 CE2 TYR D 64 -3.322 -6.333 -3.306 1.00 0.00 C ATOM 964 CZ TYR D 64 -4.237 -7.155 -3.929 1.00 0.00 C ATOM 965 OH TYR D 64 -5.507 -7.284 -3.413 1.00 0.00 O ATOM 0 H TYR D 64 1.504 -5.561 -7.499 1.00 0.00 H new ATOM 0 HA TYR D 64 -0.790 -7.409 -7.549 1.00 0.00 H new ATOM 0 HB2 TYR D 64 0.305 -7.607 -5.338 1.00 0.00 H new ATOM 0 HB3 TYR D 64 0.204 -5.871 -5.122 1.00 0.00 H new ATOM 0 HD1 TYR D 64 -2.352 -8.253 -6.482 1.00 0.00 H new ATOM 0 HD2 TYR D 64 -1.342 -5.550 -3.345 1.00 0.00 H new ATOM 0 HE1 TYR D 64 -4.608 -8.483 -5.554 1.00 0.00 H new ATOM 0 HE2 TYR D 64 -3.596 -5.797 -2.409 1.00 0.00 H new ATOM 0 HH TYR D 64 -5.590 -6.734 -2.606 1.00 0.00 H new ATOM 975 N THR D 65 -2.321 -5.513 -7.961 1.00 0.00 N ATOM 976 CA THR D 65 -3.227 -4.427 -8.281 1.00 0.00 C ATOM 977 C THR D 65 -4.465 -4.503 -7.403 1.00 0.00 C ATOM 978 O THR D 65 -5.326 -5.362 -7.604 1.00 0.00 O ATOM 979 CB THR D 65 -3.628 -4.478 -9.736 1.00 0.00 C ATOM 980 OG1 THR D 65 -2.486 -4.513 -10.566 1.00 0.00 O ATOM 981 CG2 THR D 65 -4.491 -3.307 -10.183 1.00 0.00 C ATOM 0 H THR D 65 -2.698 -6.442 -8.150 1.00 0.00 H new ATOM 0 HA THR D 65 -2.712 -3.485 -8.094 1.00 0.00 H new ATOM 0 HB THR D 65 -4.221 -5.388 -9.832 1.00 0.00 H new ATOM 0 HG1 THR D 65 -2.392 -5.407 -10.956 1.00 0.00 H new ATOM 0 HG21 THR D 65 -4.736 -3.418 -11.239 1.00 0.00 H new ATOM 0 HG22 THR D 65 -5.410 -3.288 -9.597 1.00 0.00 H new ATOM 0 HG23 THR D 65 -3.946 -2.375 -10.033 1.00 0.00 H new ATOM 989 N PHE D 66 -4.615 -3.536 -6.523 1.00 0.00 N ATOM 990 CA PHE D 66 -5.830 -3.427 -5.737 1.00 0.00 C ATOM 991 C PHE D 66 -6.489 -2.113 -6.047 1.00 0.00 C ATOM 992 O PHE D 66 -5.865 -1.220 -6.601 1.00 0.00 O ATOM 993 CB PHE D 66 -5.561 -3.593 -4.238 1.00 0.00 C ATOM 994 CG PHE D 66 -4.658 -2.567 -3.589 1.00 0.00 C ATOM 995 CD1 PHE D 66 -3.384 -2.918 -3.164 1.00 0.00 C ATOM 996 CD2 PHE D 66 -5.107 -1.279 -3.335 1.00 0.00 C ATOM 997 CE1 PHE D 66 -2.576 -2.004 -2.514 1.00 0.00 C ATOM 998 CE2 PHE D 66 -4.299 -0.361 -2.690 1.00 0.00 C ATOM 999 CZ PHE D 66 -3.033 -0.725 -2.278 1.00 0.00 C ATOM 0 H PHE D 66 -3.917 -2.817 -6.333 1.00 0.00 H new ATOM 0 HA PHE D 66 -6.505 -4.239 -6.008 1.00 0.00 H new ATOM 0 HB2 PHE D 66 -6.519 -3.580 -3.718 1.00 0.00 H new ATOM 0 HB3 PHE D 66 -5.125 -4.579 -4.078 1.00 0.00 H new ATOM 0 HD1 PHE D 66 -3.019 -3.919 -3.344 1.00 0.00 H new ATOM 0 HD2 PHE D 66 -6.100 -0.990 -3.645 1.00 0.00 H new ATOM 0 HE1 PHE D 66 -1.586 -2.292 -2.191 1.00 0.00 H new ATOM 0 HE2 PHE D 66 -4.659 0.641 -2.509 1.00 0.00 H new ATOM 0 HZ PHE D 66 -2.402 -0.009 -1.772 1.00 0.00 H new ATOM 1009 N ASN D 67 -7.764 -2.016 -5.789 1.00 0.00 N ATOM 1010 CA ASN D 67 -8.484 -0.819 -6.141 1.00 0.00 C ATOM 1011 C ASN D 67 -9.265 -0.340 -4.951 1.00 0.00 C ATOM 1012 O ASN D 67 -9.805 -1.145 -4.214 1.00 0.00 O ATOM 1013 CB ASN D 67 -9.418 -1.080 -7.319 1.00 0.00 C ATOM 1014 CG ASN D 67 -8.676 -1.550 -8.554 1.00 0.00 C ATOM 1015 OD1 ASN D 67 -7.820 -0.844 -9.079 1.00 0.00 O ATOM 1016 ND2 ASN D 67 -8.994 -2.748 -9.019 1.00 0.00 N ATOM 0 H ASN D 67 -8.323 -2.742 -5.341 1.00 0.00 H new ATOM 0 HA ASN D 67 -7.772 -0.050 -6.439 1.00 0.00 H new ATOM 0 HB2 ASN D 67 -10.156 -1.830 -7.035 1.00 0.00 H new ATOM 0 HB3 ASN D 67 -9.966 -0.167 -7.553 1.00 0.00 H new ATOM 0 HD21 ASN D 67 -8.521 -3.117 -9.844 1.00 0.00 H new ATOM 0 HD22 ASN D 67 -9.712 -3.302 -8.552 1.00 0.00 H new ATOM 1023 N GLU D 68 -9.328 0.966 -4.776 1.00 0.00 N ATOM 1024 CA GLU D 68 -10.061 1.563 -3.665 1.00 0.00 C ATOM 1025 C GLU D 68 -11.561 1.363 -3.849 1.00 0.00 C ATOM 1026 O GLU D 68 -12.334 1.453 -2.894 1.00 0.00 O ATOM 1027 CB GLU D 68 -9.708 3.030 -3.577 1.00 0.00 C ATOM 1028 CG GLU D 68 -8.208 3.258 -3.500 1.00 0.00 C ATOM 1029 CD GLU D 68 -7.645 2.996 -2.123 1.00 0.00 C ATOM 1030 OE1 GLU D 68 -6.424 3.144 -1.954 1.00 0.00 O ATOM 1031 OE2 GLU D 68 -8.428 2.650 -1.215 1.00 0.00 O1- ATOM 0 H GLU D 68 -8.878 1.643 -5.392 1.00 0.00 H new ATOM 0 HA GLU D 68 -9.780 1.076 -2.731 1.00 0.00 H new ATOM 0 HB2 GLU D 68 -10.108 3.551 -4.447 1.00 0.00 H new ATOM 0 HB3 GLU D 68 -10.185 3.464 -2.698 1.00 0.00 H new ATOM 0 HG2 GLU D 68 -7.709 2.610 -4.221 1.00 0.00 H new ATOM 0 HG3 GLU D 68 -7.986 4.285 -3.789 1.00 0.00 H new ATOM 1038 N LYS D 69 -11.912 0.861 -5.034 1.00 0.00 N ATOM 1039 CA LYS D 69 -13.250 0.356 -5.293 1.00 0.00 C ATOM 1040 C LYS D 69 -13.488 -0.783 -4.329 1.00 0.00 C ATOM 1041 O LYS D 69 -14.433 -0.773 -3.537 1.00 0.00 O ATOM 1042 CB LYS D 69 -13.327 -0.200 -6.704 1.00 0.00 C ATOM 1043 CG LYS D 69 -12.852 0.773 -7.764 1.00 0.00 C ATOM 1044 CD LYS D 69 -12.962 0.173 -9.161 1.00 0.00 C ATOM 1045 CE LYS D 69 -12.163 -1.119 -9.298 1.00 0.00 C ATOM 1046 NZ LYS D 69 -12.246 -1.692 -10.666 1.00 0.00 N1+ ATOM 0 H LYS D 69 -11.279 0.796 -5.831 1.00 0.00 H new ATOM 0 HA LYS D 69 -13.985 1.153 -5.176 1.00 0.00 H new ATOM 0 HB2 LYS D 69 -12.727 -1.108 -6.761 1.00 0.00 H new ATOM 0 HB3 LYS D 69 -14.357 -0.484 -6.918 1.00 0.00 H new ATOM 0 HG2 LYS D 69 -13.443 1.687 -7.712 1.00 0.00 H new ATOM 0 HG3 LYS D 69 -11.817 1.051 -7.567 1.00 0.00 H new ATOM 0 HD2 LYS D 69 -14.010 -0.024 -9.388 1.00 0.00 H new ATOM 0 HD3 LYS D 69 -12.607 0.897 -9.894 1.00 0.00 H new ATOM 0 HE2 LYS D 69 -11.119 -0.926 -9.050 1.00 0.00 H new ATOM 0 HE3 LYS D 69 -12.532 -1.849 -8.578 1.00 0.00 H new ATOM 0 HZ1 LYS D 69 -11.688 -2.568 -10.710 1.00 0.00 H new ATOM 0 HZ2 LYS D 69 -13.239 -1.902 -10.895 1.00 0.00 H new ATOM 0 HZ3 LYS D 69 -11.870 -1.007 -11.353 1.00 0.00 H new ATOM 1060 N SER D 70 -12.473 -1.638 -4.269 1.00 0.00 N ATOM 1061 CA SER D 70 -12.382 -2.648 -3.251 1.00 0.00 C ATOM 1062 C SER D 70 -12.104 -1.966 -1.925 1.00 0.00 C ATOM 1063 O SER D 70 -11.189 -1.155 -1.817 1.00 0.00 O ATOM 1064 CB SER D 70 -11.276 -3.656 -3.572 1.00 0.00 C ATOM 1065 OG SER D 70 -11.227 -4.692 -2.601 1.00 0.00 O ATOM 0 H SER D 70 -11.696 -1.641 -4.930 1.00 0.00 H new ATOM 0 HA SER D 70 -13.321 -3.199 -3.202 1.00 0.00 H new ATOM 0 HB2 SER D 70 -11.448 -4.087 -4.558 1.00 0.00 H new ATOM 0 HB3 SER D 70 -10.314 -3.144 -3.611 1.00 0.00 H new ATOM 0 HG SER D 70 -10.513 -5.323 -2.831 1.00 0.00 H new ATOM 1071 N THR D 71 -12.878 -2.300 -0.923 1.00 0.00 N ATOM 1072 CA THR D 71 -12.688 -1.734 0.393 1.00 0.00 C ATOM 1073 C THR D 71 -11.279 -2.026 0.890 1.00 0.00 C ATOM 1074 O THR D 71 -10.819 -3.163 0.784 1.00 0.00 O ATOM 1075 CB THR D 71 -13.727 -2.325 1.320 1.00 0.00 C ATOM 1076 OG1 THR D 71 -13.623 -3.739 1.379 1.00 0.00 O ATOM 1077 CG2 THR D 71 -15.139 -1.987 0.897 1.00 0.00 C ATOM 0 H THR D 71 -13.649 -2.964 -0.992 1.00 0.00 H new ATOM 0 HA THR D 71 -12.807 -0.651 0.361 1.00 0.00 H new ATOM 0 HB THR D 71 -13.528 -1.886 2.298 1.00 0.00 H new ATOM 0 HG1 THR D 71 -14.306 -4.092 1.987 1.00 0.00 H new ATOM 0 HG21 THR D 71 -15.845 -2.435 1.596 1.00 0.00 H new ATOM 0 HG22 THR D 71 -15.269 -0.905 0.894 1.00 0.00 H new ATOM 0 HG23 THR D 71 -15.322 -2.377 -0.104 1.00 0.00 H new ATOM 1085 N VAL D 72 -10.556 -0.987 1.345 1.00 0.00 N ATOM 1086 CA VAL D 72 -9.176 -1.135 1.754 1.00 0.00 C ATOM 1087 C VAL D 72 -9.047 -2.232 2.808 1.00 0.00 C ATOM 1088 O VAL D 72 -7.981 -2.816 2.995 1.00 0.00 O ATOM 1089 CB VAL D 72 -8.552 0.184 2.271 1.00 0.00 C ATOM 1090 CG1 VAL D 72 -7.191 0.375 1.632 1.00 0.00 C ATOM 1091 CG2 VAL D 72 -9.446 1.392 1.969 1.00 0.00 C ATOM 0 H VAL D 72 -10.920 -0.038 1.433 1.00 0.00 H new ATOM 0 HA VAL D 72 -8.616 -1.418 0.863 1.00 0.00 H new ATOM 0 HB VAL D 72 -8.452 0.113 3.354 1.00 0.00 H new ATOM 0 HG11 VAL D 72 -6.747 1.303 1.993 1.00 0.00 H new ATOM 0 HG12 VAL D 72 -6.545 -0.463 1.895 1.00 0.00 H new ATOM 0 HG13 VAL D 72 -7.301 0.423 0.549 1.00 0.00 H new ATOM 0 HG21 VAL D 72 -8.973 2.298 2.348 1.00 0.00 H new ATOM 0 HG22 VAL D 72 -9.588 1.479 0.892 1.00 0.00 H new ATOM 0 HG23 VAL D 72 -10.414 1.258 2.453 1.00 0.00 H new ATOM 1101 N GLY D 73 -10.188 -2.581 3.396 1.00 0.00 N ATOM 1102 CA GLY D 73 -10.271 -3.686 4.308 1.00 0.00 C ATOM 1103 C GLY D 73 -10.179 -5.018 3.620 1.00 0.00 C ATOM 1104 O GLY D 73 -9.279 -5.798 3.906 1.00 0.00 O ATOM 0 H GLY D 73 -11.073 -2.097 3.245 1.00 0.00 H new ATOM 0 HA2 GLY D 73 -9.470 -3.606 5.042 1.00 0.00 H new ATOM 0 HA3 GLY D 73 -11.212 -3.629 4.855 1.00 0.00 H new ATOM 1108 N ASN D 74 -11.099 -5.273 2.690 1.00 0.00 N ATOM 1109 CA ASN D 74 -11.091 -6.527 1.939 1.00 0.00 C ATOM 1110 C ASN D 74 -9.834 -6.625 1.089 1.00 0.00 C ATOM 1111 O ASN D 74 -9.352 -7.718 0.799 1.00 0.00 O ATOM 1112 CB ASN D 74 -12.331 -6.644 1.052 1.00 0.00 C ATOM 1113 CG ASN D 74 -12.386 -7.968 0.318 1.00 0.00 C ATOM 1114 OD1 ASN D 74 -12.413 -9.033 0.940 1.00 0.00 O ATOM 1115 ND2 ASN D 74 -12.400 -7.916 -1.005 1.00 0.00 N ATOM 0 H ASN D 74 -11.853 -4.633 2.440 1.00 0.00 H new ATOM 0 HA ASN D 74 -11.103 -7.348 2.655 1.00 0.00 H new ATOM 0 HB2 ASN D 74 -13.226 -6.533 1.665 1.00 0.00 H new ATOM 0 HB3 ASN D 74 -12.336 -5.829 0.328 1.00 0.00 H new ATOM 0 HD21 ASN D 74 -12.434 -8.778 -1.549 1.00 0.00 H new ATOM 0 HD22 ASN D 74 -12.377 -7.014 -1.480 1.00 0.00 H new ATOM 1122 N ILE D 75 -9.221 -5.480 0.838 1.00 0.00 N ATOM 1123 CA ILE D 75 -7.917 -5.452 0.189 1.00 0.00 C ATOM 1124 C ILE D 75 -6.853 -5.911 1.171 1.00 0.00 C ATOM 1125 O ILE D 75 -5.955 -6.652 0.811 1.00 0.00 O ATOM 1126 CB ILE D 75 -7.541 -4.046 -0.296 1.00 0.00 C ATOM 1127 CG1 ILE D 75 -8.557 -3.481 -1.303 1.00 0.00 C ATOM 1128 CG2 ILE D 75 -6.147 -4.052 -0.896 1.00 0.00 C ATOM 1129 CD1 ILE D 75 -8.241 -2.060 -1.711 1.00 0.00 C ATOM 0 H ILE D 75 -9.601 -4.562 1.071 1.00 0.00 H new ATOM 0 HA ILE D 75 -7.973 -6.115 -0.675 1.00 0.00 H new ATOM 0 HB ILE D 75 -7.556 -3.390 0.574 1.00 0.00 H new ATOM 0 HG12 ILE D 75 -8.575 -4.114 -2.190 1.00 0.00 H new ATOM 0 HG13 ILE D 75 -9.555 -3.516 -0.866 1.00 0.00 H new ATOM 0 HG21 ILE D 75 -5.893 -3.048 -1.236 1.00 0.00 H new ATOM 0 HG22 ILE D 75 -5.428 -4.373 -0.142 1.00 0.00 H new ATOM 0 HG23 ILE D 75 -6.118 -4.740 -1.741 1.00 0.00 H new ATOM 0 HD11 ILE D 75 -8.989 -1.711 -2.422 1.00 0.00 H new ATOM 0 HD12 ILE D 75 -8.250 -1.418 -0.830 1.00 0.00 H new ATOM 0 HD13 ILE D 75 -7.255 -2.025 -2.175 1.00 0.00 H new ATOM 1141 N SER D 76 -6.968 -5.464 2.415 1.00 0.00 N ATOM 1142 CA SER D 76 -6.016 -5.833 3.452 1.00 0.00 C ATOM 1143 C SER D 76 -6.179 -7.292 3.849 1.00 0.00 C ATOM 1144 O SER D 76 -5.181 -7.974 4.088 1.00 0.00 O ATOM 1145 CB SER D 76 -6.167 -4.915 4.662 1.00 0.00 C ATOM 1146 OG SER D 76 -5.293 -5.290 5.707 1.00 0.00 O ATOM 0 H SER D 76 -7.714 -4.844 2.730 1.00 0.00 H new ATOM 0 HA SER D 76 -5.009 -5.711 3.053 1.00 0.00 H new ATOM 0 HB2 SER D 76 -5.963 -3.886 4.367 1.00 0.00 H new ATOM 0 HB3 SER D 76 -7.197 -4.947 5.018 1.00 0.00 H new ATOM 0 HG SER D 76 -5.755 -5.204 6.567 1.00 0.00 H new ATOM 1152 N ASN D 77 -7.392 -7.825 3.675 1.00 0.00 N ATOM 1153 CA ASN D 77 -7.582 -9.268 3.762 1.00 0.00 C ATOM 1154 C ASN D 77 -6.655 -9.944 2.772 1.00 0.00 C ATOM 1155 O ASN D 77 -6.168 -11.041 3.018 1.00 0.00 O ATOM 1156 CB ASN D 77 -9.029 -9.689 3.461 1.00 0.00 C ATOM 1157 CG ASN D 77 -10.023 -9.276 4.529 1.00 0.00 C ATOM 1158 OD1 ASN D 77 -10.204 -8.096 4.811 1.00 0.00 O ATOM 1159 ND2 ASN D 77 -10.684 -10.254 5.132 1.00 0.00 N ATOM 0 H ASN D 77 -8.237 -7.290 3.478 1.00 0.00 H new ATOM 0 HA ASN D 77 -7.357 -9.571 4.785 1.00 0.00 H new ATOM 0 HB2 ASN D 77 -9.333 -9.255 2.508 1.00 0.00 H new ATOM 0 HB3 ASN D 77 -9.065 -10.772 3.344 1.00 0.00 H new ATOM 0 HD21 ASN D 77 -11.369 -10.036 5.856 1.00 0.00 H new ATOM 0 HD22 ASN D 77 -10.508 -11.224 4.872 1.00 0.00 H new ATOM 1166 N ASP D 78 -6.387 -9.244 1.668 1.00 0.00 N ATOM 1167 CA ASP D 78 -5.478 -9.729 0.635 1.00 0.00 C ATOM 1168 C ASP D 78 -4.027 -9.300 0.860 1.00 0.00 C ATOM 1169 O ASP D 78 -3.109 -10.006 0.457 1.00 0.00 O ATOM 1170 CB ASP D 78 -5.952 -9.278 -0.751 1.00 0.00 C ATOM 1171 CG ASP D 78 -7.166 -10.044 -1.222 1.00 0.00 C ATOM 1172 OD1 ASP D 78 -8.215 -9.974 -0.559 1.00 0.00 O ATOM 1173 OD2 ASP D 78 -7.067 -10.725 -2.260 1.00 0.00 O1- ATOM 0 H ASP D 78 -6.793 -8.330 1.468 1.00 0.00 H new ATOM 0 HA ASP D 78 -5.497 -10.817 0.694 1.00 0.00 H new ATOM 0 HB2 ASP D 78 -6.185 -8.214 -0.724 1.00 0.00 H new ATOM 0 HB3 ASP D 78 -5.142 -9.408 -1.469 1.00 0.00 H new ATOM 1178 N ILE D 79 -3.804 -8.126 1.422 1.00 0.00 N ATOM 1179 CA ILE D 79 -2.440 -7.629 1.578 1.00 0.00 C ATOM 1180 C ILE D 79 -1.676 -8.469 2.597 1.00 0.00 C ATOM 1181 O ILE D 79 -0.451 -8.584 2.532 1.00 0.00 O ATOM 1182 CB ILE D 79 -2.406 -6.138 2.006 1.00 0.00 C ATOM 1183 CG1 ILE D 79 -3.290 -5.310 1.084 1.00 0.00 C ATOM 1184 CG2 ILE D 79 -0.984 -5.597 1.943 1.00 0.00 C ATOM 1185 CD1 ILE D 79 -3.373 -3.849 1.466 1.00 0.00 C ATOM 0 H ILE D 79 -4.532 -7.505 1.774 1.00 0.00 H new ATOM 0 HA ILE D 79 -1.960 -7.711 0.603 1.00 0.00 H new ATOM 0 HB ILE D 79 -2.773 -6.070 3.030 1.00 0.00 H new ATOM 0 HG12 ILE D 79 -2.910 -5.388 0.065 1.00 0.00 H new ATOM 0 HG13 ILE D 79 -4.295 -5.733 1.083 1.00 0.00 H new ATOM 0 HG21 ILE D 79 -0.979 -4.550 2.246 1.00 0.00 H new ATOM 0 HG22 ILE D 79 -0.346 -6.172 2.614 1.00 0.00 H new ATOM 0 HG23 ILE D 79 -0.608 -5.681 0.923 1.00 0.00 H new ATOM 0 HD11 ILE D 79 -4.020 -3.325 0.763 1.00 0.00 H new ATOM 0 HD12 ILE D 79 -3.782 -3.759 2.472 1.00 0.00 H new ATOM 0 HD13 ILE D 79 -2.376 -3.409 1.439 1.00 0.00 H new ATOM 1197 N ASN D 80 -2.404 -9.052 3.536 1.00 0.00 N ATOM 1198 CA ASN D 80 -1.795 -9.866 4.567 1.00 0.00 C ATOM 1199 C ASN D 80 -1.331 -11.225 4.045 1.00 0.00 C ATOM 1200 O ASN D 80 -0.384 -11.793 4.589 1.00 0.00 O ATOM 1201 CB ASN D 80 -2.743 -10.024 5.749 1.00 0.00 C ATOM 1202 CG ASN D 80 -2.874 -8.741 6.550 1.00 0.00 C ATOM 1203 OD1 ASN D 80 -1.884 -8.220 7.068 1.00 0.00 O ATOM 1204 ND2 ASN D 80 -4.085 -8.222 6.661 1.00 0.00 N ATOM 0 H ASN D 80 -3.419 -8.974 3.603 1.00 0.00 H new ATOM 0 HA ASN D 80 -0.899 -9.344 4.904 1.00 0.00 H new ATOM 0 HB2 ASN D 80 -3.726 -10.327 5.387 1.00 0.00 H new ATOM 0 HB3 ASN D 80 -2.382 -10.821 6.399 1.00 0.00 H new ATOM 0 HD21 ASN D 80 -4.224 -7.361 7.190 1.00 0.00 H new ATOM 0 HD22 ASN D 80 -4.880 -8.683 6.218 1.00 0.00 H new ATOM 1211 N LYS D 81 -1.865 -11.677 2.908 1.00 0.00 N ATOM 1212 CA LYS D 81 -1.318 -12.872 2.280 1.00 0.00 C ATOM 1213 C LYS D 81 -0.208 -12.504 1.303 1.00 0.00 C ATOM 1214 O LYS D 81 0.911 -12.999 1.416 1.00 0.00 O ATOM 1215 CB LYS D 81 -2.374 -13.733 1.580 1.00 0.00 C ATOM 1216 CG LYS D 81 -3.268 -12.987 0.622 1.00 0.00 C ATOM 1217 CD LYS D 81 -4.587 -12.664 1.273 1.00 0.00 C ATOM 1218 CE LYS D 81 -5.390 -13.914 1.596 1.00 0.00 C ATOM 1219 NZ LYS D 81 -6.706 -13.575 2.201 1.00 0.00 N1+ ATOM 0 H LYS D 81 -2.650 -11.247 2.419 1.00 0.00 H new ATOM 0 HA LYS D 81 -0.910 -13.478 3.089 1.00 0.00 H new ATOM 0 HB2 LYS D 81 -1.869 -14.531 1.036 1.00 0.00 H new ATOM 0 HB3 LYS D 81 -2.995 -14.208 2.339 1.00 0.00 H new ATOM 0 HG2 LYS D 81 -2.779 -12.067 0.301 1.00 0.00 H new ATOM 0 HG3 LYS D 81 -3.435 -13.588 -0.272 1.00 0.00 H new ATOM 0 HD2 LYS D 81 -4.410 -12.101 2.190 1.00 0.00 H new ATOM 0 HD3 LYS D 81 -5.169 -12.021 0.612 1.00 0.00 H new ATOM 0 HE2 LYS D 81 -5.545 -14.493 0.686 1.00 0.00 H new ATOM 0 HE3 LYS D 81 -4.824 -14.544 2.282 1.00 0.00 H new ATOM 0 HZ1 LYS D 81 -6.911 -14.234 2.979 1.00 0.00 H new ATOM 0 HZ2 LYS D 81 -6.679 -12.603 2.570 1.00 0.00 H new ATOM 0 HZ3 LYS D 81 -7.450 -13.650 1.478 1.00 0.00 H new ATOM 1233 N LEU D 82 -0.507 -11.579 0.385 1.00 0.00 N ATOM 1234 CA LEU D 82 0.471 -11.075 -0.573 1.00 0.00 C ATOM 1235 C LEU D 82 1.781 -10.670 0.096 1.00 0.00 C ATOM 1236 O LEU D 82 2.847 -10.800 -0.505 1.00 0.00 O ATOM 1237 CB LEU D 82 -0.125 -9.894 -1.309 1.00 0.00 C ATOM 1238 CG LEU D 82 -1.045 -10.253 -2.474 1.00 0.00 C ATOM 1239 CD1 LEU D 82 -0.236 -10.778 -3.644 1.00 0.00 C ATOM 1240 CD2 LEU D 82 -2.102 -11.274 -2.091 1.00 0.00 C ATOM 0 H LEU D 82 -1.433 -11.162 0.289 1.00 0.00 H new ATOM 0 HA LEU D 82 0.707 -11.878 -1.271 1.00 0.00 H new ATOM 0 HB2 LEU D 82 -0.685 -9.288 -0.597 1.00 0.00 H new ATOM 0 HB3 LEU D 82 0.688 -9.273 -1.686 1.00 0.00 H new ATOM 0 HG LEU D 82 -1.560 -9.336 -2.759 1.00 0.00 H new ATOM 0 HD11 LEU D 82 -0.906 -11.029 -4.466 1.00 0.00 H new ATOM 0 HD12 LEU D 82 0.469 -10.014 -3.971 1.00 0.00 H new ATOM 0 HD13 LEU D 82 0.312 -11.669 -3.337 1.00 0.00 H new ATOM 0 HD21 LEU D 82 -2.728 -11.492 -2.957 1.00 0.00 H new ATOM 0 HD22 LEU D 82 -1.617 -12.190 -1.753 1.00 0.00 H new ATOM 0 HD23 LEU D 82 -2.721 -10.873 -1.288 1.00 0.00 H new ATOM 1252 N ASN D 83 1.664 -10.206 1.347 1.00 0.00 N ATOM 1253 CA ASN D 83 2.797 -9.777 2.178 1.00 0.00 C ATOM 1254 C ASN D 83 3.814 -8.994 1.358 1.00 0.00 C ATOM 1255 O ASN D 83 4.835 -9.534 0.926 1.00 0.00 O ATOM 1256 CB ASN D 83 3.459 -10.980 2.861 1.00 0.00 C ATOM 1257 CG ASN D 83 4.484 -10.571 3.909 1.00 0.00 C ATOM 1258 OD1 ASN D 83 5.499 -9.942 3.611 1.00 0.00 O ATOM 1259 ND2 ASN D 83 4.213 -10.911 5.159 1.00 0.00 N ATOM 0 H ASN D 83 0.764 -10.117 1.818 1.00 0.00 H new ATOM 0 HA ASN D 83 2.411 -9.115 2.953 1.00 0.00 H new ATOM 0 HB2 ASN D 83 2.691 -11.594 3.331 1.00 0.00 H new ATOM 0 HB3 ASN D 83 3.944 -11.599 2.106 1.00 0.00 H new ATOM 0 HD21 ASN D 83 4.854 -10.651 5.909 1.00 0.00 H new ATOM 0 HD22 ASN D 83 3.363 -11.433 5.373 1.00 0.00 H new ATOM 1266 N ILE D 84 3.500 -7.738 1.092 1.00 0.00 N ATOM 1267 CA ILE D 84 4.354 -6.910 0.263 1.00 0.00 C ATOM 1268 C ILE D 84 5.554 -6.420 1.062 1.00 0.00 C ATOM 1269 O ILE D 84 5.460 -5.453 1.818 1.00 0.00 O ATOM 1270 CB ILE D 84 3.588 -5.702 -0.333 1.00 0.00 C ATOM 1271 CG1 ILE D 84 2.452 -6.144 -1.269 1.00 0.00 C ATOM 1272 CG2 ILE D 84 4.533 -4.783 -1.080 1.00 0.00 C ATOM 1273 CD1 ILE D 84 1.281 -6.807 -0.579 1.00 0.00 C ATOM 0 H ILE D 84 2.662 -7.271 1.438 1.00 0.00 H new ATOM 0 HA ILE D 84 4.698 -7.528 -0.566 1.00 0.00 H new ATOM 0 HB ILE D 84 3.145 -5.164 0.505 1.00 0.00 H new ATOM 0 HG12 ILE D 84 2.089 -5.272 -1.813 1.00 0.00 H new ATOM 0 HG13 ILE D 84 2.858 -6.834 -2.008 1.00 0.00 H new ATOM 0 HG21 ILE D 84 3.974 -3.942 -1.490 1.00 0.00 H new ATOM 0 HG22 ILE D 84 5.297 -4.412 -0.396 1.00 0.00 H new ATOM 0 HG23 ILE D 84 5.009 -5.333 -1.892 1.00 0.00 H new ATOM 0 HD11 ILE D 84 0.531 -7.083 -1.320 1.00 0.00 H new ATOM 0 HD12 ILE D 84 1.624 -7.701 -0.059 1.00 0.00 H new ATOM 0 HD13 ILE D 84 0.843 -6.115 0.140 1.00 0.00 H new ATOM 1285 N LYS D 85 6.675 -7.113 0.927 1.00 0.00 N ATOM 1286 CA LYS D 85 7.856 -6.768 1.681 1.00 0.00 C ATOM 1287 C LYS D 85 9.107 -7.317 0.997 1.00 0.00 C ATOM 1288 O LYS D 85 9.523 -8.452 1.234 1.00 0.00 O ATOM 1289 CB LYS D 85 7.695 -7.319 3.100 1.00 0.00 C ATOM 1290 CG LYS D 85 8.658 -6.775 4.138 1.00 0.00 C ATOM 1291 CD LYS D 85 8.751 -5.257 4.092 1.00 0.00 C ATOM 1292 CE LYS D 85 9.793 -4.791 3.082 1.00 0.00 C ATOM 1293 NZ LYS D 85 9.919 -3.313 3.019 1.00 0.00 N1+ ATOM 0 H LYS D 85 6.785 -7.913 0.304 1.00 0.00 H new ATOM 0 HA LYS D 85 7.974 -5.686 1.730 1.00 0.00 H new ATOM 0 HB2 LYS D 85 6.678 -7.115 3.435 1.00 0.00 H new ATOM 0 HB3 LYS D 85 7.807 -8.403 3.062 1.00 0.00 H new ATOM 0 HG2 LYS D 85 8.335 -7.088 5.131 1.00 0.00 H new ATOM 0 HG3 LYS D 85 9.647 -7.204 3.974 1.00 0.00 H new ATOM 0 HD2 LYS D 85 7.778 -4.840 3.832 1.00 0.00 H new ATOM 0 HD3 LYS D 85 9.006 -4.877 5.081 1.00 0.00 H new ATOM 0 HE2 LYS D 85 10.760 -5.222 3.341 1.00 0.00 H new ATOM 0 HE3 LYS D 85 9.529 -5.170 2.095 1.00 0.00 H new ATOM 0 HZ1 LYS D 85 10.641 -3.056 2.316 1.00 0.00 H new ATOM 0 HZ2 LYS D 85 9.006 -2.898 2.745 1.00 0.00 H new ATOM 0 HZ3 LYS D 85 10.199 -2.948 3.952 1.00 0.00 H new ATOM 1307 N GLY D 86 9.700 -6.468 0.166 1.00 0.00 N ATOM 1308 CA GLY D 86 10.914 -6.794 -0.563 1.00 0.00 C ATOM 1309 C GLY D 86 10.724 -7.849 -1.631 1.00 0.00 C ATOM 1310 O GLY D 86 9.889 -8.742 -1.496 1.00 0.00 O ATOM 0 H GLY D 86 9.348 -5.529 -0.020 1.00 0.00 H new ATOM 0 HA2 GLY D 86 11.302 -5.887 -1.027 1.00 0.00 H new ATOM 0 HA3 GLY D 86 11.669 -7.138 0.144 1.00 0.00 H new ATOM 1314 N PRO D 87 11.501 -7.771 -2.720 1.00 0.00 N ATOM 1315 CA PRO D 87 12.505 -6.725 -2.924 1.00 0.00 C ATOM 1316 C PRO D 87 11.936 -5.497 -3.658 1.00 0.00 C ATOM 1317 O PRO D 87 10.741 -5.463 -3.929 1.00 0.00 O ATOM 1318 CB PRO D 87 13.532 -7.463 -3.773 1.00 0.00 C ATOM 1319 CG PRO D 87 12.729 -8.390 -4.626 1.00 0.00 C ATOM 1320 CD PRO D 87 11.463 -8.711 -3.854 1.00 0.00 C ATOM 0 HA PRO D 87 12.900 -6.309 -1.997 1.00 0.00 H new ATOM 0 HB2 PRO D 87 14.113 -6.770 -4.381 1.00 0.00 H new ATOM 0 HB3 PRO D 87 14.239 -8.011 -3.150 1.00 0.00 H new ATOM 0 HG2 PRO D 87 12.491 -7.926 -5.583 1.00 0.00 H new ATOM 0 HG3 PRO D 87 13.290 -9.299 -4.843 1.00 0.00 H new ATOM 0 HD2 PRO D 87 10.573 -8.565 -4.466 1.00 0.00 H new ATOM 0 HD3 PRO D 87 11.452 -9.747 -3.516 1.00 0.00 H new ATOM 1328 N TYR D 88 12.812 -4.502 -3.934 1.00 0.00 N ATOM 1329 CA TYR D 88 12.477 -3.214 -4.612 1.00 0.00 C ATOM 1330 C TYR D 88 10.989 -3.023 -4.893 1.00 0.00 C ATOM 1331 O TYR D 88 10.473 -3.511 -5.896 1.00 0.00 O ATOM 1332 CB TYR D 88 13.237 -3.073 -5.936 1.00 0.00 C ATOM 1333 CG TYR D 88 14.737 -3.179 -5.798 1.00 0.00 C ATOM 1334 CD1 TYR D 88 15.550 -2.068 -5.971 1.00 0.00 C ATOM 1335 CD2 TYR D 88 15.339 -4.394 -5.513 1.00 0.00 C ATOM 1336 CE1 TYR D 88 16.922 -2.163 -5.854 1.00 0.00 C ATOM 1337 CE2 TYR D 88 16.710 -4.500 -5.394 1.00 0.00 C ATOM 1338 CZ TYR D 88 17.496 -3.381 -5.563 1.00 0.00 C ATOM 1339 OH TYR D 88 18.862 -3.481 -5.440 1.00 0.00 O ATOM 0 H TYR D 88 13.799 -4.569 -3.687 1.00 0.00 H new ATOM 0 HA TYR D 88 12.781 -2.444 -3.903 1.00 0.00 H new ATOM 0 HB2 TYR D 88 12.891 -3.843 -6.626 1.00 0.00 H new ATOM 0 HB3 TYR D 88 12.991 -2.110 -6.384 1.00 0.00 H new ATOM 0 HD1 TYR D 88 15.102 -1.113 -6.201 1.00 0.00 H new ATOM 0 HD2 TYR D 88 14.725 -5.273 -5.382 1.00 0.00 H new ATOM 0 HE1 TYR D 88 17.541 -1.289 -5.990 1.00 0.00 H new ATOM 0 HE2 TYR D 88 17.164 -5.454 -5.170 1.00 0.00 H new ATOM 0 HH TYR D 88 19.105 -4.407 -5.232 1.00 0.00 H new ATOM 1349 N ILE D 89 10.305 -2.339 -3.987 1.00 0.00 N ATOM 1350 CA ILE D 89 8.868 -2.125 -4.103 1.00 0.00 C ATOM 1351 C ILE D 89 8.536 -0.682 -4.452 1.00 0.00 C ATOM 1352 O ILE D 89 9.182 0.254 -3.978 1.00 0.00 O ATOM 1353 CB ILE D 89 8.173 -2.501 -2.781 1.00 0.00 C ATOM 1354 CG1 ILE D 89 8.485 -3.955 -2.424 1.00 0.00 C ATOM 1355 CG2 ILE D 89 6.672 -2.326 -2.894 1.00 0.00 C ATOM 1356 CD1 ILE D 89 7.891 -4.373 -1.108 1.00 0.00 C ATOM 0 H ILE D 89 10.725 -1.920 -3.157 1.00 0.00 H new ATOM 0 HA ILE D 89 8.507 -2.761 -4.911 1.00 0.00 H new ATOM 0 HB ILE D 89 8.548 -1.840 -1.999 1.00 0.00 H new ATOM 0 HG12 ILE D 89 8.106 -4.607 -3.211 1.00 0.00 H new ATOM 0 HG13 ILE D 89 9.566 -4.092 -2.389 1.00 0.00 H new ATOM 0 HG21 ILE D 89 6.202 -2.597 -1.949 1.00 0.00 H new ATOM 0 HG22 ILE D 89 6.443 -1.286 -3.128 1.00 0.00 H new ATOM 0 HG23 ILE D 89 6.289 -2.969 -3.687 1.00 0.00 H new ATOM 0 HD11 ILE D 89 8.146 -5.414 -0.908 1.00 0.00 H new ATOM 0 HD12 ILE D 89 8.289 -3.743 -0.313 1.00 0.00 H new ATOM 0 HD13 ILE D 89 6.807 -4.266 -1.148 1.00 0.00 H new ATOM 1368 N GLU D 90 7.441 -0.518 -5.179 1.00 0.00 N ATOM 1369 CA GLU D 90 6.904 0.794 -5.479 1.00 0.00 C ATOM 1370 C GLU D 90 5.401 0.801 -5.197 1.00 0.00 C ATOM 1371 O GLU D 90 4.596 0.413 -6.037 1.00 0.00 O ATOM 1372 CB GLU D 90 7.181 1.171 -6.938 1.00 0.00 C ATOM 1373 CG GLU D 90 6.778 2.594 -7.291 1.00 0.00 C ATOM 1374 CD GLU D 90 7.061 2.931 -8.735 1.00 0.00 C ATOM 1375 OE1 GLU D 90 8.232 2.840 -9.147 1.00 0.00 O ATOM 1376 OE2 GLU D 90 6.116 3.295 -9.456 1.00 0.00 O1- ATOM 0 H GLU D 90 6.904 -1.290 -5.575 1.00 0.00 H new ATOM 0 HA GLU D 90 7.392 1.534 -4.845 1.00 0.00 H new ATOM 0 HB2 GLU D 90 8.244 1.043 -7.141 1.00 0.00 H new ATOM 0 HB3 GLU D 90 6.647 0.480 -7.590 1.00 0.00 H new ATOM 0 HG2 GLU D 90 5.715 2.728 -7.091 1.00 0.00 H new ATOM 0 HG3 GLU D 90 7.314 3.291 -6.646 1.00 0.00 H new ATOM 1383 N ILE D 91 5.047 1.173 -3.984 1.00 0.00 N ATOM 1384 CA ILE D 91 3.665 1.170 -3.534 1.00 0.00 C ATOM 1385 C ILE D 91 3.047 2.557 -3.739 1.00 0.00 C ATOM 1386 O ILE D 91 3.227 3.451 -2.910 1.00 0.00 O ATOM 1387 CB ILE D 91 3.598 0.762 -2.033 1.00 0.00 C ATOM 1388 CG1 ILE D 91 4.107 -0.659 -1.836 1.00 0.00 C ATOM 1389 CG2 ILE D 91 2.207 0.878 -1.446 1.00 0.00 C ATOM 1390 CD1 ILE D 91 3.949 -1.162 -0.416 1.00 0.00 C ATOM 0 H ILE D 91 5.711 1.488 -3.277 1.00 0.00 H new ATOM 0 HA ILE D 91 3.098 0.445 -4.119 1.00 0.00 H new ATOM 0 HB ILE D 91 4.239 1.467 -1.503 1.00 0.00 H new ATOM 0 HG12 ILE D 91 3.572 -1.326 -2.512 1.00 0.00 H new ATOM 0 HG13 ILE D 91 5.160 -0.702 -2.114 1.00 0.00 H new ATOM 0 HG21 ILE D 91 2.228 0.579 -0.398 1.00 0.00 H new ATOM 0 HG22 ILE D 91 1.865 1.910 -1.522 1.00 0.00 H new ATOM 0 HG23 ILE D 91 1.525 0.228 -1.995 1.00 0.00 H new ATOM 0 HD11 ILE D 91 4.332 -2.180 -0.346 1.00 0.00 H new ATOM 0 HD12 ILE D 91 4.507 -0.517 0.263 1.00 0.00 H new ATOM 0 HD13 ILE D 91 2.894 -1.151 -0.141 1.00 0.00 H new ATOM 1402 N LYS D 92 2.276 2.718 -4.823 1.00 0.00 N ATOM 1403 CA LYS D 92 1.590 3.982 -5.088 1.00 0.00 C ATOM 1404 C LYS D 92 0.446 3.755 -6.071 1.00 0.00 C ATOM 1405 O LYS D 92 0.427 2.744 -6.779 1.00 0.00 O ATOM 1406 CB LYS D 92 2.568 5.046 -5.627 1.00 0.00 C ATOM 1407 CG LYS D 92 2.574 5.231 -7.145 1.00 0.00 C ATOM 1408 CD LYS D 92 3.004 4.000 -7.934 1.00 0.00 C ATOM 1409 CE LYS D 92 2.840 4.273 -9.429 1.00 0.00 C ATOM 1410 NZ LYS D 92 3.590 3.338 -10.295 1.00 0.00 N1+ ATOM 0 H LYS D 92 2.115 1.994 -5.523 1.00 0.00 H new ATOM 0 HA LYS D 92 1.182 4.356 -4.149 1.00 0.00 H new ATOM 0 HB2 LYS D 92 2.327 6.003 -5.164 1.00 0.00 H new ATOM 0 HB3 LYS D 92 3.576 4.782 -5.307 1.00 0.00 H new ATOM 0 HG2 LYS D 92 1.573 5.521 -7.466 1.00 0.00 H new ATOM 0 HG3 LYS D 92 3.240 6.057 -7.394 1.00 0.00 H new ATOM 0 HD2 LYS D 92 4.042 3.755 -7.710 1.00 0.00 H new ATOM 0 HD3 LYS D 92 2.403 3.139 -7.642 1.00 0.00 H new ATOM 0 HE2 LYS D 92 1.782 4.219 -9.684 1.00 0.00 H new ATOM 0 HE3 LYS D 92 3.168 5.291 -9.641 1.00 0.00 H new ATOM 0 HZ1 LYS D 92 3.377 3.542 -11.292 1.00 0.00 H new ATOM 0 HZ2 LYS D 92 4.610 3.453 -10.128 1.00 0.00 H new ATOM 0 HZ3 LYS D 92 3.311 2.361 -10.074 1.00 0.00 H new ATOM 1424 N GLN D 93 -0.466 4.712 -6.178 1.00 0.00 N ATOM 1425 CA GLN D 93 -1.529 4.587 -7.158 1.00 0.00 C ATOM 1426 C GLN D 93 -1.037 4.989 -8.527 1.00 0.00 C ATOM 1427 O GLN D 93 0.056 5.525 -8.682 1.00 0.00 O ATOM 1428 CB GLN D 93 -2.764 5.389 -6.797 1.00 0.00 C ATOM 1429 CG GLN D 93 -2.492 6.861 -6.631 1.00 0.00 C ATOM 1430 CD GLN D 93 -3.725 7.628 -6.205 1.00 0.00 C ATOM 1431 OE1 GLN D 93 -4.737 7.631 -6.902 1.00 0.00 O ATOM 1432 NE2 GLN D 93 -3.651 8.276 -5.053 1.00 0.00 N ATOM 0 H GLN D 93 -0.491 5.561 -5.613 1.00 0.00 H new ATOM 0 HA GLN D 93 -1.820 3.537 -7.166 1.00 0.00 H new ATOM 0 HB2 GLN D 93 -3.517 5.251 -7.572 1.00 0.00 H new ATOM 0 HB3 GLN D 93 -3.185 4.998 -5.871 1.00 0.00 H new ATOM 0 HG2 GLN D 93 -1.705 7.002 -5.890 1.00 0.00 H new ATOM 0 HG3 GLN D 93 -2.120 7.268 -7.571 1.00 0.00 H new ATOM 0 HE21 GLN D 93 -2.791 8.247 -4.506 1.00 0.00 H new ATOM 0 HE22 GLN D 93 -4.454 8.804 -4.713 1.00 0.00 H new ATOM 1441 N ILE D 94 -1.784 4.586 -9.518 1.00 0.00 N ATOM 1442 CA ILE D 94 -1.374 4.734 -10.891 1.00 0.00 C ATOM 1443 C ILE D 94 -2.409 5.505 -11.699 1.00 0.00 C ATOM 1444 O ILE D 94 -3.524 5.709 -11.184 1.00 0.00 O ATOM 1445 CB ILE D 94 -1.165 3.346 -11.484 1.00 0.00 C ATOM 1446 CG1 ILE D 94 -2.396 2.504 -11.193 1.00 0.00 C ATOM 1447 CG2 ILE D 94 0.080 2.691 -10.912 1.00 0.00 C ATOM 1448 CD1 ILE D 94 -2.301 1.077 -11.654 1.00 0.00 C ATOM 1449 OXT ILE D 94 -2.095 5.909 -12.829 1.00 0.00 O ATOM 0 H ILE D 94 -2.696 4.145 -9.398 1.00 0.00 H new ATOM 0 HA ILE D 94 -0.445 5.304 -10.928 1.00 0.00 H new ATOM 0 HB ILE D 94 -1.022 3.430 -12.561 1.00 0.00 H new ATOM 0 HG12 ILE D 94 -2.581 2.513 -10.119 1.00 0.00 H new ATOM 0 HG13 ILE D 94 -3.259 2.969 -11.669 1.00 0.00 H new ATOM 0 HG21 ILE D 94 0.206 1.702 -11.352 1.00 0.00 H new ATOM 0 HG22 ILE D 94 0.952 3.304 -11.142 1.00 0.00 H new ATOM 0 HG23 ILE D 94 -0.022 2.597 -9.831 1.00 0.00 H new ATOM 0 HD11 ILE D 94 -3.223 0.552 -11.405 1.00 0.00 H new ATOM 0 HD12 ILE D 94 -2.150 1.053 -12.733 1.00 0.00 H new ATOM 0 HD13 ILE D 94 -1.461 0.590 -11.159 1.00 0.00 H new TER 1461 ILE D 94