USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 666 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 16 ASN : amide:sc= -1.29 K(o=-1.5,f=-2.2!) USER MOD Set 1.2: A 54 LYS NZ :NH3+ 171:sc= -0.251 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc=-0.000612 (180deg=-0.000612) USER MOD Single : A 1 MET N :NH3+ -116:sc= 1.2 (180deg=-0.0866) USER MOD Single : A 3 SER OG : rot -56:sc= 0.898 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HE2:sc= -6.6! C(o=-6.6!,f=-7.1!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.868 K(o=-0.87,f=-2.9!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 167:sc= 0.0822 (180deg=-0.337) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.356 X(o=-0.36,f=-0.31) USER MOD Single : A 28 HIS : no HD1:sc= -0.168 K(o=-0.17,f=-0.87) USER MOD Single : A 32 LYS NZ :NH3+ -151:sc= -0.0292 (180deg=-0.185) USER MOD Single : A 37 THR OG1 : rot 170:sc= -2.1! USER MOD Single : A 39 LYS NZ :NH3+ 132:sc= -0.271 (180deg=-1.22!) USER MOD Single : A 44 THR OG1 : rot 8:sc= -3.6 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -13.3! C(o=-13!,f=-22!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0.00542 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.129 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 SER OG : rot 11:sc= -1.43 USER MOD Single : A 63 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0818) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl 159:sc= -0.0304 (180deg=-0.328) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 148:sc= -0.264 (180deg=-1.2!) USER MOD Single : A 77 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.164 7.412 -4.193 1.00 0.00 N ATOM 2 CA MET A 1 -7.981 7.310 -3.299 1.00 0.00 C ATOM 3 C MET A 1 -7.320 8.666 -3.113 1.00 0.00 C ATOM 4 O MET A 1 -7.172 9.433 -4.065 1.00 0.00 O ATOM 5 CB MET A 1 -6.988 6.317 -3.909 1.00 0.00 C ATOM 6 CG MET A 1 -7.587 4.942 -4.154 1.00 0.00 C ATOM 7 SD MET A 1 -8.608 4.882 -5.636 1.00 0.00 S ATOM 8 CE MET A 1 -9.509 3.360 -5.364 1.00 0.00 C ATOM 0 H1 MET A 1 -10.024 7.169 -3.660 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.244 8.384 -4.554 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.054 6.754 -4.991 1.00 0.00 H new ATOM 0 HA MET A 1 -8.303 6.961 -2.318 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.617 6.718 -4.853 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.129 6.219 -3.245 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.784 4.211 -4.242 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.188 4.653 -3.292 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.186 3.184 -6.200 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.806 2.530 -5.285 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.084 3.438 -4.441 1.00 0.00 H new ATOM 20 N ASP A 2 -6.935 8.961 -1.878 1.00 0.00 N ATOM 21 CA ASP A 2 -6.297 10.230 -1.567 1.00 0.00 C ATOM 22 C ASP A 2 -4.784 10.120 -1.671 1.00 0.00 C ATOM 23 O ASP A 2 -4.145 9.419 -0.888 1.00 0.00 O ATOM 24 CB ASP A 2 -6.683 10.683 -0.159 1.00 0.00 C ATOM 25 CG ASP A 2 -7.625 11.869 -0.170 1.00 0.00 C ATOM 26 OD1 ASP A 2 -7.190 12.970 -0.569 1.00 0.00 O ATOM 27 OD2 ASP A 2 -8.800 11.698 0.218 1.00 0.00 O ATOM 0 H ASP A 2 -7.054 8.339 -1.078 1.00 0.00 H new ATOM 0 HA ASP A 2 -6.642 10.967 -2.292 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -7.154 9.854 0.370 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -5.782 10.944 0.395 1.00 0.00 H new ATOM 32 N SER A 3 -4.215 10.820 -2.639 1.00 0.00 N ATOM 33 CA SER A 3 -2.775 10.823 -2.816 1.00 0.00 C ATOM 34 C SER A 3 -2.093 11.337 -1.554 1.00 0.00 C ATOM 35 O SER A 3 -0.973 10.944 -1.236 1.00 0.00 O ATOM 36 CB SER A 3 -2.390 11.690 -4.011 1.00 0.00 C ATOM 37 OG SER A 3 -3.272 11.480 -5.101 1.00 0.00 O ATOM 0 H SER A 3 -4.727 11.391 -3.311 1.00 0.00 H new ATOM 0 HA SER A 3 -2.444 9.802 -3.005 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.408 12.741 -3.722 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.369 11.461 -4.316 1.00 0.00 H new ATOM 0 HG SER A 3 -3.286 10.528 -5.332 1.00 0.00 H new ATOM 43 N LYS A 4 -2.795 12.198 -0.824 1.00 0.00 N ATOM 44 CA LYS A 4 -2.261 12.777 0.403 1.00 0.00 C ATOM 45 C LYS A 4 -1.825 11.695 1.387 1.00 0.00 C ATOM 46 O LYS A 4 -0.727 11.754 1.929 1.00 0.00 O ATOM 47 CB LYS A 4 -3.306 13.684 1.056 1.00 0.00 C ATOM 48 CG LYS A 4 -3.090 15.162 0.774 1.00 0.00 C ATOM 49 CD LYS A 4 -4.377 15.840 0.334 1.00 0.00 C ATOM 50 CE LYS A 4 -5.201 16.298 1.525 1.00 0.00 C ATOM 51 NZ LYS A 4 -6.608 15.816 1.448 1.00 0.00 N ATOM 0 H LYS A 4 -3.736 12.510 -1.062 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.383 13.367 0.139 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -4.296 13.396 0.703 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -3.293 13.523 2.134 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -2.707 15.652 1.669 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -2.333 15.278 -0.001 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -4.141 16.697 -0.297 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -4.964 15.150 -0.272 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -4.743 15.934 2.445 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -5.193 17.387 1.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -7.136 16.151 2.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -7.054 16.184 0.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -6.618 14.776 1.427 1.00 0.00 H new ATOM 65 N GLU A 5 -2.691 10.713 1.621 1.00 0.00 N ATOM 66 CA GLU A 5 -2.367 9.619 2.530 1.00 0.00 C ATOM 67 C GLU A 5 -1.359 8.692 1.876 1.00 0.00 C ATOM 68 O GLU A 5 -0.337 8.339 2.465 1.00 0.00 O ATOM 69 CB GLU A 5 -3.617 8.804 2.926 1.00 0.00 C ATOM 70 CG GLU A 5 -4.916 9.208 2.258 1.00 0.00 C ATOM 71 CD GLU A 5 -5.406 10.568 2.716 1.00 0.00 C ATOM 72 OE1 GLU A 5 -4.575 11.371 3.189 1.00 0.00 O ATOM 73 OE2 GLU A 5 -6.622 10.830 2.604 1.00 0.00 O ATOM 0 H GLU A 5 -3.617 10.652 1.197 1.00 0.00 H new ATOM 0 HA GLU A 5 -1.950 10.060 3.435 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.428 7.754 2.701 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -3.748 8.880 4.005 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -4.776 9.221 1.177 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.679 8.460 2.472 1.00 0.00 H new ATOM 80 N VAL A 6 -1.676 8.294 0.656 1.00 0.00 N ATOM 81 CA VAL A 6 -0.835 7.394 -0.106 1.00 0.00 C ATOM 82 C VAL A 6 0.607 7.898 -0.172 1.00 0.00 C ATOM 83 O VAL A 6 1.532 7.180 0.194 1.00 0.00 O ATOM 84 CB VAL A 6 -1.409 7.204 -1.522 1.00 0.00 C ATOM 85 CG1 VAL A 6 -0.467 6.387 -2.402 1.00 0.00 C ATOM 86 CG2 VAL A 6 -2.779 6.548 -1.437 1.00 0.00 C ATOM 0 H VAL A 6 -2.523 8.586 0.168 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.823 6.430 0.403 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.513 8.185 -1.986 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.904 6.272 -3.394 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.491 6.900 -2.484 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.315 5.404 -1.957 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.182 6.415 -2.441 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.688 5.576 -0.951 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.450 7.182 -0.858 1.00 0.00 H new ATOM 96 N LEU A 7 0.804 9.136 -0.618 1.00 0.00 N ATOM 97 CA LEU A 7 2.153 9.689 -0.698 1.00 0.00 C ATOM 98 C LEU A 7 2.798 9.720 0.683 1.00 0.00 C ATOM 99 O LEU A 7 3.957 9.339 0.840 1.00 0.00 O ATOM 100 CB LEU A 7 2.147 11.084 -1.328 1.00 0.00 C ATOM 101 CG LEU A 7 2.891 11.194 -2.666 1.00 0.00 C ATOM 102 CD1 LEU A 7 4.388 11.327 -2.436 1.00 0.00 C ATOM 103 CD2 LEU A 7 2.592 9.990 -3.554 1.00 0.00 C ATOM 0 H LEU A 7 0.062 9.765 -0.924 1.00 0.00 H new ATOM 0 HA LEU A 7 2.746 9.040 -1.343 1.00 0.00 H new ATOM 0 HB2 LEU A 7 1.113 11.394 -1.478 1.00 0.00 H new ATOM 0 HB3 LEU A 7 2.592 11.787 -0.623 1.00 0.00 H new ATOM 0 HG LEU A 7 2.539 12.090 -3.177 1.00 0.00 H new ATOM 0 HD11 LEU A 7 4.898 11.404 -3.396 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.587 12.222 -1.847 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.753 10.451 -1.900 1.00 0.00 H new ATOM 0 HD21 LEU A 7 3.130 10.090 -4.496 1.00 0.00 H new ATOM 0 HD22 LEU A 7 2.911 9.078 -3.050 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.521 9.940 -3.751 1.00 0.00 H new ATOM 115 N VAL A 8 2.038 10.130 1.695 1.00 0.00 N ATOM 116 CA VAL A 8 2.541 10.096 3.064 1.00 0.00 C ATOM 117 C VAL A 8 2.932 8.666 3.401 1.00 0.00 C ATOM 118 O VAL A 8 4.008 8.401 3.942 1.00 0.00 O ATOM 119 CB VAL A 8 1.490 10.589 4.079 1.00 0.00 C ATOM 120 CG1 VAL A 8 1.994 10.423 5.506 1.00 0.00 C ATOM 121 CG2 VAL A 8 1.121 12.035 3.804 1.00 0.00 C ATOM 0 H VAL A 8 1.087 10.484 1.596 1.00 0.00 H new ATOM 0 HA VAL A 8 3.400 10.764 3.129 1.00 0.00 H new ATOM 0 HB VAL A 8 0.594 9.979 3.965 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.235 10.778 6.203 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.200 9.370 5.699 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.908 11.002 5.639 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.378 12.365 4.530 1.00 0.00 H new ATOM 0 HG22 VAL A 8 2.011 12.659 3.885 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.709 12.120 2.799 1.00 0.00 H new ATOM 131 N HIS A 9 2.052 7.746 3.030 1.00 0.00 N ATOM 132 CA HIS A 9 2.299 6.331 3.226 1.00 0.00 C ATOM 133 C HIS A 9 3.585 5.937 2.516 1.00 0.00 C ATOM 134 O HIS A 9 4.352 5.109 3.010 1.00 0.00 O ATOM 135 CB HIS A 9 1.113 5.511 2.716 1.00 0.00 C ATOM 136 CG HIS A 9 -0.153 5.789 3.463 1.00 0.00 C ATOM 137 ND1 HIS A 9 -0.197 5.955 4.832 1.00 0.00 N ATOM 138 CD2 HIS A 9 -1.423 5.945 3.026 1.00 0.00 C ATOM 139 CE1 HIS A 9 -1.442 6.195 5.205 1.00 0.00 C ATOM 140 NE2 HIS A 9 -2.204 6.194 4.127 1.00 0.00 N ATOM 0 H HIS A 9 1.157 7.960 2.590 1.00 0.00 H new ATOM 0 HA HIS A 9 2.413 6.125 4.290 1.00 0.00 H new ATOM 0 HB2 HIS A 9 0.959 5.724 1.658 1.00 0.00 H new ATOM 0 HB3 HIS A 9 1.350 4.450 2.796 1.00 0.00 H new ATOM 0 HD1 HIS A 9 0.606 5.901 5.459 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -1.760 5.885 2.002 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -1.778 6.363 6.218 1.00 0.00 H new ATOM 149 N VAL A 10 3.841 6.571 1.371 1.00 0.00 N ATOM 150 CA VAL A 10 5.081 6.343 0.646 1.00 0.00 C ATOM 151 C VAL A 10 6.252 6.844 1.479 1.00 0.00 C ATOM 152 O VAL A 10 7.351 6.310 1.398 1.00 0.00 O ATOM 153 CB VAL A 10 5.107 7.028 -0.737 1.00 0.00 C ATOM 154 CG1 VAL A 10 6.452 6.795 -1.416 1.00 0.00 C ATOM 155 CG2 VAL A 10 3.969 6.530 -1.609 1.00 0.00 C ATOM 0 H VAL A 10 3.209 7.240 0.932 1.00 0.00 H new ATOM 0 HA VAL A 10 5.158 5.270 0.473 1.00 0.00 H new ATOM 0 HB VAL A 10 4.973 8.100 -0.593 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.457 7.283 -2.390 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.248 7.210 -0.798 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.614 5.725 -1.546 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.009 7.027 -2.578 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.063 5.453 -1.750 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.017 6.751 -1.126 1.00 0.00 H new ATOM 165 N LYS A 11 6.016 7.898 2.256 1.00 0.00 N ATOM 166 CA LYS A 11 7.043 8.436 3.137 1.00 0.00 C ATOM 167 C LYS A 11 7.559 7.329 4.047 1.00 0.00 C ATOM 168 O LYS A 11 8.764 7.116 4.174 1.00 0.00 O ATOM 169 CB LYS A 11 6.473 9.577 3.977 1.00 0.00 C ATOM 170 CG LYS A 11 7.524 10.556 4.474 1.00 0.00 C ATOM 171 CD LYS A 11 6.910 11.634 5.351 1.00 0.00 C ATOM 172 CE LYS A 11 7.439 13.013 4.991 1.00 0.00 C ATOM 173 NZ LYS A 11 6.561 14.097 5.509 1.00 0.00 N ATOM 0 H LYS A 11 5.125 8.393 2.292 1.00 0.00 H new ATOM 0 HA LYS A 11 7.864 8.824 2.535 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.736 10.119 3.385 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.947 9.157 4.834 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.287 10.018 5.037 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.023 11.019 3.623 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.826 11.619 5.242 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.128 11.421 6.398 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.443 13.134 5.397 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.521 13.099 3.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.956 15.021 5.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.609 13.997 5.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 6.503 14.031 6.545 1.00 0.00 H new ATOM 187 N ASN A 12 6.623 6.599 4.642 1.00 0.00 N ATOM 188 CA ASN A 12 6.952 5.461 5.479 1.00 0.00 C ATOM 189 C ASN A 12 7.591 4.380 4.628 1.00 0.00 C ATOM 190 O ASN A 12 8.636 3.825 4.969 1.00 0.00 O ATOM 191 CB ASN A 12 5.683 4.921 6.135 1.00 0.00 C ATOM 192 CG ASN A 12 4.757 6.026 6.608 1.00 0.00 C ATOM 193 OD1 ASN A 12 5.154 7.187 6.702 1.00 0.00 O ATOM 194 ND2 ASN A 12 3.513 5.669 6.906 1.00 0.00 N ATOM 0 H ASN A 12 5.623 6.781 4.556 1.00 0.00 H new ATOM 0 HA ASN A 12 7.651 5.770 6.257 1.00 0.00 H new ATOM 0 HB2 ASN A 12 5.153 4.286 5.425 1.00 0.00 H new ATOM 0 HB3 ASN A 12 5.956 4.292 6.983 1.00 0.00 H new ATOM 0 HD21 ASN A 12 2.845 6.369 7.227 1.00 0.00 H new ATOM 0 HD22 ASN A 12 3.226 4.695 6.814 1.00 0.00 H new ATOM 201 N LEU A 13 6.962 4.124 3.490 1.00 0.00 N ATOM 202 CA LEU A 13 7.465 3.174 2.514 1.00 0.00 C ATOM 203 C LEU A 13 8.928 3.496 2.200 1.00 0.00 C ATOM 204 O LEU A 13 9.789 2.620 2.221 1.00 0.00 O ATOM 205 CB LEU A 13 6.584 3.277 1.256 1.00 0.00 C ATOM 206 CG LEU A 13 6.733 2.175 0.197 1.00 0.00 C ATOM 207 CD1 LEU A 13 6.172 2.631 -1.141 1.00 0.00 C ATOM 208 CD2 LEU A 13 8.171 1.784 0.019 1.00 0.00 C ATOM 0 H LEU A 13 6.086 4.571 3.219 1.00 0.00 H new ATOM 0 HA LEU A 13 7.424 2.154 2.897 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.542 3.299 1.575 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.791 4.234 0.777 1.00 0.00 H new ATOM 0 HG LEU A 13 6.171 1.310 0.550 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.289 1.834 -1.875 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.114 2.870 -1.030 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.710 3.517 -1.478 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.245 1.002 -0.737 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.747 2.652 -0.300 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.567 1.413 0.964 1.00 0.00 H new ATOM 220 N GLU A 14 9.194 4.781 1.987 1.00 0.00 N ATOM 221 CA GLU A 14 10.528 5.284 1.688 1.00 0.00 C ATOM 222 C GLU A 14 11.554 4.791 2.698 1.00 0.00 C ATOM 223 O GLU A 14 12.539 4.152 2.338 1.00 0.00 O ATOM 224 CB GLU A 14 10.497 6.812 1.679 1.00 0.00 C ATOM 225 CG GLU A 14 10.541 7.412 0.284 1.00 0.00 C ATOM 226 CD GLU A 14 11.848 7.135 -0.431 1.00 0.00 C ATOM 227 OE1 GLU A 14 12.781 6.614 0.215 1.00 0.00 O ATOM 228 OE2 GLU A 14 11.941 7.444 -1.638 1.00 0.00 O ATOM 0 H GLU A 14 8.481 5.509 2.018 1.00 0.00 H new ATOM 0 HA GLU A 14 10.825 4.909 0.709 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.593 7.152 2.183 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.343 7.188 2.254 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.717 7.011 -0.306 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.390 8.489 0.351 1.00 0.00 H new ATOM 235 N LYS A 15 11.334 5.111 3.962 1.00 0.00 N ATOM 236 CA LYS A 15 12.255 4.702 5.009 1.00 0.00 C ATOM 237 C LYS A 15 12.512 3.198 4.951 1.00 0.00 C ATOM 238 O LYS A 15 13.621 2.734 5.216 1.00 0.00 O ATOM 239 CB LYS A 15 11.693 5.091 6.376 1.00 0.00 C ATOM 240 CG LYS A 15 12.293 6.368 6.941 1.00 0.00 C ATOM 241 CD LYS A 15 11.291 7.127 7.795 1.00 0.00 C ATOM 242 CE LYS A 15 11.783 7.286 9.225 1.00 0.00 C ATOM 243 NZ LYS A 15 12.141 8.699 9.536 1.00 0.00 N ATOM 0 H LYS A 15 10.531 5.649 4.287 1.00 0.00 H new ATOM 0 HA LYS A 15 13.205 5.214 4.854 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.613 5.213 6.294 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.870 4.275 7.077 1.00 0.00 H new ATOM 0 HG2 LYS A 15 13.171 6.124 7.539 1.00 0.00 H new ATOM 0 HG3 LYS A 15 12.631 7.005 6.123 1.00 0.00 H new ATOM 0 HD2 LYS A 15 11.112 8.110 7.360 1.00 0.00 H new ATOM 0 HD3 LYS A 15 10.337 6.599 7.794 1.00 0.00 H new ATOM 0 HE2 LYS A 15 11.010 6.947 9.915 1.00 0.00 H new ATOM 0 HE3 LYS A 15 12.653 6.648 9.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 12.472 8.765 10.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 12.897 9.015 8.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 11.305 9.305 9.410 1.00 0.00 H new ATOM 257 N ASN A 16 11.475 2.449 4.599 1.00 0.00 N ATOM 258 CA ASN A 16 11.560 0.994 4.505 1.00 0.00 C ATOM 259 C ASN A 16 12.074 0.534 3.138 1.00 0.00 C ATOM 260 O ASN A 16 12.479 -0.616 2.974 1.00 0.00 O ATOM 261 CB ASN A 16 10.178 0.384 4.761 1.00 0.00 C ATOM 262 CG ASN A 16 9.739 0.537 6.205 1.00 0.00 C ATOM 263 OD1 ASN A 16 8.669 1.078 6.486 1.00 0.00 O ATOM 264 ND2 ASN A 16 10.565 0.061 7.128 1.00 0.00 N ATOM 0 H ASN A 16 10.556 2.828 4.372 1.00 0.00 H new ATOM 0 HA ASN A 16 12.271 0.655 5.258 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.446 0.861 4.109 1.00 0.00 H new ATOM 0 HB3 ASN A 16 10.196 -0.674 4.499 1.00 0.00 H new ATOM 0 HD21 ASN A 16 10.323 0.136 8.116 1.00 0.00 H new ATOM 0 HD22 ASN A 16 11.442 -0.380 6.849 1.00 0.00 H new ATOM 271 N LYS A 17 12.000 1.422 2.153 1.00 0.00 N ATOM 272 CA LYS A 17 12.338 1.092 0.773 1.00 0.00 C ATOM 273 C LYS A 17 13.638 0.330 0.605 1.00 0.00 C ATOM 274 O LYS A 17 14.651 0.902 0.202 1.00 0.00 O ATOM 275 CB LYS A 17 12.422 2.349 -0.085 1.00 0.00 C ATOM 276 CG LYS A 17 11.086 2.839 -0.587 1.00 0.00 C ATOM 277 CD LYS A 17 11.236 4.026 -1.524 1.00 0.00 C ATOM 278 CE LYS A 17 9.902 4.715 -1.757 1.00 0.00 C ATOM 279 NZ LYS A 17 10.011 5.808 -2.760 1.00 0.00 N ATOM 0 H LYS A 17 11.705 2.389 2.288 1.00 0.00 H new ATOM 0 HA LYS A 17 11.528 0.439 0.449 1.00 0.00 H new ATOM 0 HB2 LYS A 17 12.894 3.142 0.495 1.00 0.00 H new ATOM 0 HB3 LYS A 17 13.069 2.151 -0.939 1.00 0.00 H new ATOM 0 HG2 LYS A 17 10.573 2.029 -1.106 1.00 0.00 H new ATOM 0 HG3 LYS A 17 10.461 3.121 0.260 1.00 0.00 H new ATOM 0 HD2 LYS A 17 11.947 4.737 -1.103 1.00 0.00 H new ATOM 0 HD3 LYS A 17 11.646 3.691 -2.477 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.169 3.983 -2.096 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.534 5.122 -0.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.059 6.105 -3.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 10.511 6.617 -2.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 10.539 5.467 -3.589 1.00 0.00 H new ATOM 293 N SER A 18 13.563 -0.982 0.727 1.00 0.00 N ATOM 294 CA SER A 18 14.671 -1.828 0.340 1.00 0.00 C ATOM 295 C SER A 18 14.757 -1.770 -1.185 1.00 0.00 C ATOM 296 O SER A 18 15.840 -1.731 -1.770 1.00 0.00 O ATOM 297 CB SER A 18 14.455 -3.265 0.813 1.00 0.00 C ATOM 298 OG SER A 18 15.385 -3.614 1.824 1.00 0.00 O ATOM 0 H SER A 18 12.750 -1.481 1.089 1.00 0.00 H new ATOM 0 HA SER A 18 15.598 -1.482 0.798 1.00 0.00 H new ATOM 0 HB2 SER A 18 13.440 -3.377 1.194 1.00 0.00 H new ATOM 0 HB3 SER A 18 14.556 -3.948 -0.030 1.00 0.00 H new ATOM 0 HG SER A 18 15.225 -4.537 2.111 1.00 0.00 H new ATOM 304 N ASN A 19 13.574 -1.665 -1.801 1.00 0.00 N ATOM 305 CA ASN A 19 13.427 -1.469 -3.235 1.00 0.00 C ATOM 306 C ASN A 19 12.920 -0.054 -3.472 1.00 0.00 C ATOM 307 O ASN A 19 11.911 0.333 -2.901 1.00 0.00 O ATOM 308 CB ASN A 19 12.418 -2.469 -3.801 1.00 0.00 C ATOM 309 CG ASN A 19 13.020 -3.372 -4.858 1.00 0.00 C ATOM 310 OD1 ASN A 19 12.896 -3.117 -6.056 1.00 0.00 O ATOM 311 ND2 ASN A 19 13.680 -4.438 -4.418 1.00 0.00 N ATOM 0 H ASN A 19 12.684 -1.715 -1.305 1.00 0.00 H new ATOM 0 HA ASN A 19 14.386 -1.621 -3.730 1.00 0.00 H new ATOM 0 HB2 ASN A 19 12.023 -3.080 -2.989 1.00 0.00 H new ATOM 0 HB3 ASN A 19 11.576 -1.926 -4.230 1.00 0.00 H new ATOM 0 HD21 ASN A 19 14.108 -5.083 -5.082 1.00 0.00 H new ATOM 0 HD22 ASN A 19 13.759 -4.611 -3.416 1.00 0.00 H new ATOM 318 N ASP A 20 13.692 0.774 -4.151 1.00 0.00 N ATOM 319 CA ASP A 20 13.279 2.157 -4.348 1.00 0.00 C ATOM 320 C ASP A 20 12.160 2.321 -5.383 1.00 0.00 C ATOM 321 O ASP A 20 11.076 2.820 -5.075 1.00 0.00 O ATOM 322 CB ASP A 20 14.480 3.004 -4.769 1.00 0.00 C ATOM 323 CG ASP A 20 15.665 2.834 -3.840 1.00 0.00 C ATOM 324 OD1 ASP A 20 15.653 3.436 -2.746 1.00 0.00 O ATOM 325 OD2 ASP A 20 16.608 2.101 -4.207 1.00 0.00 O ATOM 0 H ASP A 20 14.589 0.525 -4.568 1.00 0.00 H new ATOM 0 HA ASP A 20 12.881 2.495 -3.391 1.00 0.00 H new ATOM 0 HB2 ASP A 20 14.775 2.732 -5.782 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.189 4.054 -4.793 1.00 0.00 H new ATOM 330 N ALA A 21 12.452 1.929 -6.619 1.00 0.00 N ATOM 331 CA ALA A 21 11.550 2.168 -7.745 1.00 0.00 C ATOM 332 C ALA A 21 10.271 1.328 -7.742 1.00 0.00 C ATOM 333 O ALA A 21 9.184 1.861 -7.967 1.00 0.00 O ATOM 334 CB ALA A 21 12.301 1.973 -9.049 1.00 0.00 C ATOM 0 H ALA A 21 13.312 1.441 -6.869 1.00 0.00 H new ATOM 0 HA ALA A 21 11.212 3.199 -7.638 1.00 0.00 H new ATOM 0 HB1 ALA A 21 11.627 2.151 -9.887 1.00 0.00 H new ATOM 0 HB2 ALA A 21 13.134 2.674 -9.097 1.00 0.00 H new ATOM 0 HB3 ALA A 21 12.682 0.953 -9.101 1.00 0.00 H new ATOM 340 N ALA A 22 10.389 0.017 -7.556 1.00 0.00 N ATOM 341 CA ALA A 22 9.220 -0.856 -7.664 1.00 0.00 C ATOM 342 C ALA A 22 8.085 -0.384 -6.771 1.00 0.00 C ATOM 343 O ALA A 22 7.026 0.001 -7.255 1.00 0.00 O ATOM 344 CB ALA A 22 9.594 -2.290 -7.323 1.00 0.00 C ATOM 0 H ALA A 22 11.263 -0.459 -7.334 1.00 0.00 H new ATOM 0 HA ALA A 22 8.873 -0.814 -8.696 1.00 0.00 H new ATOM 0 HB1 ALA A 22 8.713 -2.926 -7.408 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.362 -2.640 -8.013 1.00 0.00 H new ATOM 0 HB3 ALA A 22 9.976 -2.334 -6.303 1.00 0.00 H new ATOM 350 N VAL A 23 8.342 -0.316 -5.485 1.00 0.00 N ATOM 351 CA VAL A 23 7.344 0.145 -4.537 1.00 0.00 C ATOM 352 C VAL A 23 6.979 1.595 -4.807 1.00 0.00 C ATOM 353 O VAL A 23 5.827 1.996 -4.658 1.00 0.00 O ATOM 354 CB VAL A 23 7.869 0.002 -3.108 1.00 0.00 C ATOM 355 CG1 VAL A 23 7.833 -1.457 -2.696 1.00 0.00 C ATOM 356 CG2 VAL A 23 9.283 0.542 -3.030 1.00 0.00 C ATOM 0 H VAL A 23 9.236 -0.574 -5.067 1.00 0.00 H new ATOM 0 HA VAL A 23 6.451 -0.469 -4.654 1.00 0.00 H new ATOM 0 HB VAL A 23 7.238 0.573 -2.427 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.208 -1.557 -1.677 1.00 0.00 H new ATOM 0 HG12 VAL A 23 6.807 -1.823 -2.743 1.00 0.00 H new ATOM 0 HG13 VAL A 23 8.458 -2.041 -3.371 1.00 0.00 H new ATOM 0 HG21 VAL A 23 9.656 0.439 -2.011 1.00 0.00 H new ATOM 0 HG22 VAL A 23 9.925 -0.019 -3.709 1.00 0.00 H new ATOM 0 HG23 VAL A 23 9.287 1.594 -3.314 1.00 0.00 H new ATOM 366 N LEU A 24 7.968 2.367 -5.237 1.00 0.00 N ATOM 367 CA LEU A 24 7.757 3.769 -5.560 1.00 0.00 C ATOM 368 C LEU A 24 6.723 3.916 -6.670 1.00 0.00 C ATOM 369 O LEU A 24 5.734 4.635 -6.523 1.00 0.00 O ATOM 370 CB LEU A 24 9.080 4.388 -6.001 1.00 0.00 C ATOM 371 CG LEU A 24 8.967 5.743 -6.705 1.00 0.00 C ATOM 372 CD1 LEU A 24 9.671 6.813 -5.893 1.00 0.00 C ATOM 373 CD2 LEU A 24 9.542 5.666 -8.110 1.00 0.00 C ATOM 0 H LEU A 24 8.926 2.044 -5.370 1.00 0.00 H new ATOM 0 HA LEU A 24 7.385 4.284 -4.674 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.717 4.505 -5.125 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.583 3.690 -6.670 1.00 0.00 H new ATOM 0 HG LEU A 24 7.913 6.008 -6.787 1.00 0.00 H new ATOM 0 HD11 LEU A 24 9.584 7.773 -6.403 1.00 0.00 H new ATOM 0 HD12 LEU A 24 9.211 6.883 -4.907 1.00 0.00 H new ATOM 0 HD13 LEU A 24 10.724 6.553 -5.785 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.452 6.639 -8.594 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.593 5.382 -8.058 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.993 4.922 -8.687 1.00 0.00 H new ATOM 385 N GLU A 25 6.962 3.231 -7.783 1.00 0.00 N ATOM 386 CA GLU A 25 6.053 3.282 -8.919 1.00 0.00 C ATOM 387 C GLU A 25 4.815 2.446 -8.646 1.00 0.00 C ATOM 388 O GLU A 25 3.710 2.798 -9.058 1.00 0.00 O ATOM 389 CB GLU A 25 6.753 2.788 -10.184 1.00 0.00 C ATOM 390 CG GLU A 25 6.908 3.864 -11.243 1.00 0.00 C ATOM 391 CD GLU A 25 8.189 3.717 -12.042 1.00 0.00 C ATOM 392 OE1 GLU A 25 8.952 2.767 -11.769 1.00 0.00 O ATOM 393 OE2 GLU A 25 8.427 4.551 -12.939 1.00 0.00 O ATOM 0 H GLU A 25 7.778 2.634 -7.921 1.00 0.00 H new ATOM 0 HA GLU A 25 5.748 4.318 -9.070 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.738 2.404 -9.919 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.188 1.955 -10.602 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.055 3.827 -11.921 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.893 4.844 -10.765 1.00 0.00 H new ATOM 400 N ILE A 26 5.010 1.337 -7.946 1.00 0.00 N ATOM 401 CA ILE A 26 3.905 0.458 -7.595 1.00 0.00 C ATOM 402 C ILE A 26 2.869 1.221 -6.785 1.00 0.00 C ATOM 403 O ILE A 26 1.673 1.132 -7.057 1.00 0.00 O ATOM 404 CB ILE A 26 4.395 -0.800 -6.819 1.00 0.00 C ATOM 405 CG1 ILE A 26 5.021 -1.800 -7.793 1.00 0.00 C ATOM 406 CG2 ILE A 26 3.264 -1.479 -6.047 1.00 0.00 C ATOM 407 CD1 ILE A 26 5.676 -2.978 -7.108 1.00 0.00 C ATOM 0 H ILE A 26 5.922 1.026 -7.611 1.00 0.00 H new ATOM 0 HA ILE A 26 3.445 0.109 -8.520 1.00 0.00 H new ATOM 0 HB ILE A 26 5.138 -0.466 -6.094 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.250 -2.166 -8.471 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.763 -1.285 -8.403 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.654 -2.351 -5.522 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.844 -0.778 -5.325 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.486 -1.793 -6.743 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.099 -3.646 -7.858 1.00 0.00 H new ATOM 0 HD12 ILE A 26 6.469 -2.622 -6.451 1.00 0.00 H new ATOM 0 HD13 ILE A 26 4.933 -3.516 -6.520 1.00 0.00 H new ATOM 419 N LEU A 27 3.325 1.967 -5.790 1.00 0.00 N ATOM 420 CA LEU A 27 2.401 2.702 -4.946 1.00 0.00 C ATOM 421 C LEU A 27 1.799 3.891 -5.689 1.00 0.00 C ATOM 422 O LEU A 27 0.605 4.165 -5.573 1.00 0.00 O ATOM 423 CB LEU A 27 3.069 3.176 -3.650 1.00 0.00 C ATOM 424 CG LEU A 27 2.453 2.617 -2.358 1.00 0.00 C ATOM 425 CD1 LEU A 27 2.853 3.462 -1.163 1.00 0.00 C ATOM 426 CD2 LEU A 27 0.935 2.548 -2.452 1.00 0.00 C ATOM 0 H LEU A 27 4.311 2.078 -5.551 1.00 0.00 H new ATOM 0 HA LEU A 27 1.599 2.013 -4.682 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.123 2.900 -3.681 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.025 4.265 -3.614 1.00 0.00 H new ATOM 0 HG LEU A 27 2.837 1.606 -2.225 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.406 3.048 -0.259 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.938 3.461 -1.064 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.502 4.484 -1.306 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.531 2.148 -1.522 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.535 3.548 -2.622 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.651 1.898 -3.280 1.00 0.00 H new ATOM 438 N HIS A 28 2.631 4.593 -6.449 1.00 0.00 N ATOM 439 CA HIS A 28 2.178 5.754 -7.206 1.00 0.00 C ATOM 440 C HIS A 28 0.976 5.401 -8.074 1.00 0.00 C ATOM 441 O HIS A 28 -0.079 6.023 -7.972 1.00 0.00 O ATOM 442 CB HIS A 28 3.315 6.276 -8.089 1.00 0.00 C ATOM 443 CG HIS A 28 3.146 7.703 -8.506 1.00 0.00 C ATOM 444 ND1 HIS A 28 1.972 8.200 -9.033 1.00 0.00 N ATOM 445 CD2 HIS A 28 4.012 8.744 -8.472 1.00 0.00 C ATOM 446 CE1 HIS A 28 2.124 9.485 -9.305 1.00 0.00 C ATOM 447 NE2 HIS A 28 3.352 9.837 -8.974 1.00 0.00 N ATOM 0 H HIS A 28 3.622 4.379 -6.558 1.00 0.00 H new ATOM 0 HA HIS A 28 1.880 6.528 -6.499 1.00 0.00 H new ATOM 0 HB2 HIS A 28 4.257 6.173 -7.551 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.387 5.652 -8.980 1.00 0.00 H new ATOM 0 HD2 HIS A 28 5.031 8.718 -8.116 1.00 0.00 H new ATOM 0 HE1 HIS A 28 1.372 10.135 -9.726 1.00 0.00 H new ATOM 0 HE2 HIS A 28 3.747 10.772 -9.075 1.00 0.00 H new ATOM 456 N VAL A 29 1.140 4.391 -8.920 1.00 0.00 N ATOM 457 CA VAL A 29 0.058 3.942 -9.788 1.00 0.00 C ATOM 458 C VAL A 29 -1.022 3.247 -8.973 1.00 0.00 C ATOM 459 O VAL A 29 -2.213 3.374 -9.257 1.00 0.00 O ATOM 460 CB VAL A 29 0.567 2.974 -10.869 1.00 0.00 C ATOM 461 CG1 VAL A 29 1.225 1.762 -10.230 1.00 0.00 C ATOM 462 CG2 VAL A 29 -0.570 2.555 -11.789 1.00 0.00 C ATOM 0 H VAL A 29 2.010 3.868 -9.023 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.354 4.826 -10.274 1.00 0.00 H new ATOM 0 HB VAL A 29 1.316 3.488 -11.471 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.579 1.087 -11.009 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.068 2.085 -9.619 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.500 1.243 -9.603 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.191 1.870 -12.547 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.345 2.058 -11.206 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.990 3.437 -12.273 1.00 0.00 H new ATOM 472 N LEU A 30 -0.592 2.536 -7.938 1.00 0.00 N ATOM 473 CA LEU A 30 -1.510 1.842 -7.044 1.00 0.00 C ATOM 474 C LEU A 30 -2.616 2.782 -6.588 1.00 0.00 C ATOM 475 O LEU A 30 -3.747 2.358 -6.349 1.00 0.00 O ATOM 476 CB LEU A 30 -0.763 1.292 -5.836 1.00 0.00 C ATOM 477 CG LEU A 30 -0.365 -0.181 -5.938 1.00 0.00 C ATOM 478 CD1 LEU A 30 0.705 -0.527 -4.910 1.00 0.00 C ATOM 479 CD2 LEU A 30 -1.587 -1.069 -5.762 1.00 0.00 C ATOM 0 H LEU A 30 0.393 2.425 -7.696 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.957 1.010 -7.588 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.138 1.886 -5.683 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.386 1.424 -4.951 1.00 0.00 H new ATOM 0 HG LEU A 30 0.053 -0.357 -6.929 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.971 -1.580 -5.002 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.588 0.087 -5.084 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.322 -0.336 -3.908 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.290 -2.115 -5.837 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.031 -0.887 -4.783 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.317 -0.842 -6.540 1.00 0.00 H new ATOM 491 N ASP A 31 -2.289 4.072 -6.522 1.00 0.00 N ATOM 492 CA ASP A 31 -3.241 5.092 -6.098 1.00 0.00 C ATOM 493 C ASP A 31 -4.553 4.941 -6.859 1.00 0.00 C ATOM 494 O ASP A 31 -5.620 5.293 -6.357 1.00 0.00 O ATOM 495 CB ASP A 31 -2.659 6.477 -6.351 1.00 0.00 C ATOM 496 CG ASP A 31 -2.973 7.454 -5.235 1.00 0.00 C ATOM 497 OD1 ASP A 31 -3.167 7.003 -4.087 1.00 0.00 O ATOM 498 OD2 ASP A 31 -3.024 8.672 -5.509 1.00 0.00 O ATOM 0 H ASP A 31 -1.366 4.435 -6.759 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.435 4.969 -5.033 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.578 6.397 -6.466 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -3.051 6.866 -7.291 1.00 0.00 H new ATOM 503 N LYS A 32 -4.467 4.368 -8.055 1.00 0.00 N ATOM 504 CA LYS A 32 -5.640 4.111 -8.867 1.00 0.00 C ATOM 505 C LYS A 32 -6.556 3.114 -8.159 1.00 0.00 C ATOM 506 O LYS A 32 -7.717 3.412 -7.889 1.00 0.00 O ATOM 507 CB LYS A 32 -5.192 3.583 -10.236 1.00 0.00 C ATOM 508 CG LYS A 32 -6.271 2.895 -11.055 1.00 0.00 C ATOM 509 CD LYS A 32 -5.684 1.728 -11.824 1.00 0.00 C ATOM 510 CE LYS A 32 -5.236 0.635 -10.874 1.00 0.00 C ATOM 511 NZ LYS A 32 -3.764 0.413 -10.933 1.00 0.00 N ATOM 0 H LYS A 32 -3.589 4.073 -8.481 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.204 5.032 -9.014 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.796 4.417 -10.816 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.372 2.881 -10.085 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -7.067 2.543 -10.398 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.721 3.607 -11.748 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -6.426 1.333 -12.518 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -4.838 2.068 -12.421 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -5.522 0.900 -9.856 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.753 -0.293 -11.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.553 -0.577 -10.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -3.420 0.621 -11.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -3.291 1.040 -10.252 1.00 0.00 H new ATOM 525 N GLU A 33 -6.040 1.916 -7.897 1.00 0.00 N ATOM 526 CA GLU A 33 -6.807 0.897 -7.188 1.00 0.00 C ATOM 527 C GLU A 33 -6.315 0.747 -5.749 1.00 0.00 C ATOM 528 O GLU A 33 -6.283 -0.358 -5.210 1.00 0.00 O ATOM 529 CB GLU A 33 -6.724 -0.451 -7.905 1.00 0.00 C ATOM 530 CG GLU A 33 -8.061 -0.937 -8.440 1.00 0.00 C ATOM 531 CD GLU A 33 -8.341 -0.450 -9.848 1.00 0.00 C ATOM 532 OE1 GLU A 33 -7.773 -1.025 -10.800 1.00 0.00 O ATOM 533 OE2 GLU A 33 -9.133 0.504 -10.000 1.00 0.00 O ATOM 0 H GLU A 33 -5.098 1.628 -8.164 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.847 1.222 -7.173 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.018 -0.371 -8.732 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.325 -1.196 -7.216 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.078 -2.027 -8.427 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.857 -0.598 -7.778 1.00 0.00 H new ATOM 540 N PHE A 34 -5.907 1.854 -5.137 1.00 0.00 N ATOM 541 CA PHE A 34 -5.335 1.805 -3.800 1.00 0.00 C ATOM 542 C PHE A 34 -6.381 1.660 -2.699 1.00 0.00 C ATOM 543 O PHE A 34 -7.586 1.778 -2.922 1.00 0.00 O ATOM 544 CB PHE A 34 -4.445 3.010 -3.524 1.00 0.00 C ATOM 545 CG PHE A 34 -3.360 2.693 -2.529 1.00 0.00 C ATOM 546 CD1 PHE A 34 -2.614 1.534 -2.656 1.00 0.00 C ATOM 547 CD2 PHE A 34 -3.147 3.501 -1.427 1.00 0.00 C ATOM 548 CE1 PHE A 34 -1.650 1.208 -1.723 1.00 0.00 C ATOM 549 CE2 PHE A 34 -2.188 3.180 -0.486 1.00 0.00 C ATOM 550 CZ PHE A 34 -1.439 2.032 -0.634 1.00 0.00 C ATOM 0 H PHE A 34 -5.962 2.788 -5.543 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.724 0.903 -3.780 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.994 3.349 -4.457 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -5.054 3.832 -3.147 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.788 0.877 -3.495 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.739 4.396 -1.300 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.062 0.310 -1.844 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -2.025 3.827 0.364 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.689 1.777 0.100 1.00 0.00 H new ATOM 560 N VAL A 35 -5.867 1.373 -1.508 1.00 0.00 N ATOM 561 CA VAL A 35 -6.654 1.049 -0.330 1.00 0.00 C ATOM 562 C VAL A 35 -7.153 2.232 0.543 1.00 0.00 C ATOM 563 O VAL A 35 -7.655 1.983 1.632 1.00 0.00 O ATOM 564 CB VAL A 35 -5.783 0.146 0.562 1.00 0.00 C ATOM 565 CG1 VAL A 35 -4.567 0.911 1.058 1.00 0.00 C ATOM 566 CG2 VAL A 35 -6.562 -0.448 1.713 1.00 0.00 C ATOM 0 H VAL A 35 -4.862 1.360 -1.333 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.564 0.588 -0.713 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.445 -0.691 -0.049 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.960 0.261 1.688 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.976 1.246 0.206 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.892 1.776 1.637 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.903 -1.077 2.312 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.962 0.354 2.334 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.383 -1.050 1.324 1.00 0.00 H new ATOM 576 N PRO A 36 -7.034 3.520 0.153 1.00 0.00 N ATOM 577 CA PRO A 36 -7.488 4.616 1.009 1.00 0.00 C ATOM 578 C PRO A 36 -8.920 5.078 0.745 1.00 0.00 C ATOM 579 O PRO A 36 -9.128 6.135 0.150 1.00 0.00 O ATOM 580 CB PRO A 36 -6.519 5.732 0.653 1.00 0.00 C ATOM 581 CG PRO A 36 -6.168 5.497 -0.780 1.00 0.00 C ATOM 582 CD PRO A 36 -6.431 4.037 -1.080 1.00 0.00 C ATOM 0 HA PRO A 36 -7.499 4.313 2.056 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -6.977 6.711 0.792 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -5.633 5.702 1.287 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -6.765 6.136 -1.431 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -5.122 5.744 -0.964 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -7.102 3.920 -1.931 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -5.510 3.508 -1.325 1.00 0.00 H new ATOM 590 N THR A 37 -9.906 4.341 1.253 1.00 0.00 N ATOM 591 CA THR A 37 -11.295 4.776 1.134 1.00 0.00 C ATOM 592 C THR A 37 -11.920 4.867 2.528 1.00 0.00 C ATOM 593 O THR A 37 -11.213 4.753 3.529 1.00 0.00 O ATOM 594 CB THR A 37 -12.123 3.879 0.199 1.00 0.00 C ATOM 595 OG1 THR A 37 -12.989 3.027 0.931 1.00 0.00 O ATOM 596 CG2 THR A 37 -11.294 3.030 -0.748 1.00 0.00 C ATOM 0 H THR A 37 -9.773 3.456 1.742 1.00 0.00 H new ATOM 0 HA THR A 37 -11.300 5.763 0.672 1.00 0.00 H new ATOM 0 HB THR A 37 -12.698 4.578 -0.408 1.00 0.00 H new ATOM 0 HG1 THR A 37 -13.613 2.588 0.316 1.00 0.00 H new ATOM 0 HG21 THR A 37 -11.956 2.428 -1.371 1.00 0.00 H new ATOM 0 HG22 THR A 37 -10.688 3.678 -1.382 1.00 0.00 H new ATOM 0 HG23 THR A 37 -10.642 2.374 -0.172 1.00 0.00 H new ATOM 604 N GLU A 38 -13.228 5.100 2.605 1.00 0.00 N ATOM 605 CA GLU A 38 -13.880 5.255 3.906 1.00 0.00 C ATOM 606 C GLU A 38 -13.527 4.097 4.837 1.00 0.00 C ATOM 607 O GLU A 38 -12.896 4.295 5.876 1.00 0.00 O ATOM 608 CB GLU A 38 -15.398 5.339 3.732 1.00 0.00 C ATOM 609 CG GLU A 38 -16.079 6.238 4.751 1.00 0.00 C ATOM 610 CD GLU A 38 -16.484 5.493 6.008 1.00 0.00 C ATOM 611 OE1 GLU A 38 -17.111 4.419 5.885 1.00 0.00 O ATOM 612 OE2 GLU A 38 -16.174 5.982 7.114 1.00 0.00 O ATOM 0 H GLU A 38 -13.849 5.185 1.800 1.00 0.00 H new ATOM 0 HA GLU A 38 -13.519 6.180 4.355 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -15.621 5.706 2.730 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -15.820 4.337 3.805 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -15.407 7.053 5.017 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -16.963 6.688 4.299 1.00 0.00 H new ATOM 619 N LYS A 39 -13.897 2.885 4.439 1.00 0.00 N ATOM 620 CA LYS A 39 -13.544 1.689 5.198 1.00 0.00 C ATOM 621 C LYS A 39 -12.116 1.273 4.877 1.00 0.00 C ATOM 622 O LYS A 39 -11.313 0.979 5.761 1.00 0.00 O ATOM 623 CB LYS A 39 -14.505 0.546 4.872 1.00 0.00 C ATOM 624 CG LYS A 39 -15.970 0.910 5.054 1.00 0.00 C ATOM 625 CD LYS A 39 -16.452 0.591 6.460 1.00 0.00 C ATOM 626 CE LYS A 39 -17.931 0.243 6.476 1.00 0.00 C ATOM 627 NZ LYS A 39 -18.249 -0.877 5.549 1.00 0.00 N ATOM 0 H LYS A 39 -14.441 2.704 3.596 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.621 1.916 6.261 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.343 0.230 3.841 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -14.270 -0.307 5.508 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -16.110 1.972 4.852 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -16.574 0.365 4.329 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -15.877 -0.243 6.863 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -16.271 1.447 7.111 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -18.229 -0.029 7.489 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -18.513 1.121 6.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -18.837 -1.579 6.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -18.766 -0.509 4.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -17.366 -1.326 5.231 1.00 0.00 H new ATOM 641 N LEU A 40 -11.833 1.252 3.584 1.00 0.00 N ATOM 642 CA LEU A 40 -10.539 0.859 3.051 1.00 0.00 C ATOM 643 C LEU A 40 -9.387 1.620 3.707 1.00 0.00 C ATOM 644 O LEU A 40 -8.273 1.110 3.799 1.00 0.00 O ATOM 645 CB LEU A 40 -10.551 1.130 1.550 1.00 0.00 C ATOM 646 CG LEU A 40 -10.759 -0.085 0.651 1.00 0.00 C ATOM 647 CD1 LEU A 40 -12.218 -0.187 0.243 1.00 0.00 C ATOM 648 CD2 LEU A 40 -9.874 0.016 -0.579 1.00 0.00 C ATOM 0 H LEU A 40 -12.507 1.512 2.864 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.378 -0.198 3.261 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.339 1.853 1.338 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.606 1.600 1.279 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.486 -0.984 1.204 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -12.356 -1.057 -0.399 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -12.838 -0.290 1.133 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -12.508 0.713 -0.299 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -10.031 -0.857 -1.213 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.126 0.919 -1.135 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.829 0.058 -0.273 1.00 0.00 H new ATOM 660 N LEU A 41 -9.639 2.849 4.143 1.00 0.00 N ATOM 661 CA LEU A 41 -8.596 3.640 4.789 1.00 0.00 C ATOM 662 C LEU A 41 -7.964 2.845 5.925 1.00 0.00 C ATOM 663 O LEU A 41 -6.744 2.718 5.998 1.00 0.00 O ATOM 664 CB LEU A 41 -9.163 4.959 5.304 1.00 0.00 C ATOM 665 CG LEU A 41 -8.267 5.720 6.286 1.00 0.00 C ATOM 666 CD1 LEU A 41 -8.404 5.135 7.681 1.00 0.00 C ATOM 667 CD2 LEU A 41 -6.816 5.687 5.826 1.00 0.00 C ATOM 0 H LEU A 41 -10.543 3.315 4.063 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.825 3.868 4.053 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.368 5.605 4.450 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.118 4.759 5.790 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.587 6.761 6.315 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.763 5.684 8.370 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.441 5.214 8.009 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.107 4.086 7.666 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.196 6.233 6.537 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.476 4.653 5.768 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.735 6.151 4.843 1.00 0.00 H new ATOM 679 N ARG A 42 -8.793 2.243 6.767 1.00 0.00 N ATOM 680 CA ARG A 42 -8.279 1.376 7.818 1.00 0.00 C ATOM 681 C ARG A 42 -7.479 0.247 7.173 1.00 0.00 C ATOM 682 O ARG A 42 -6.424 -0.172 7.667 1.00 0.00 O ATOM 683 CB ARG A 42 -9.420 0.816 8.677 1.00 0.00 C ATOM 684 CG ARG A 42 -10.149 -0.366 8.054 1.00 0.00 C ATOM 685 CD ARG A 42 -11.626 -0.367 8.407 1.00 0.00 C ATOM 686 NE ARG A 42 -12.072 -1.673 8.885 1.00 0.00 N ATOM 687 CZ ARG A 42 -13.329 -1.945 9.221 1.00 0.00 C ATOM 688 NH1 ARG A 42 -14.260 -1.004 9.133 1.00 0.00 N ATOM 689 NH2 ARG A 42 -13.656 -3.157 9.647 1.00 0.00 N ATOM 0 H ARG A 42 -9.808 2.336 6.745 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.631 1.952 8.479 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -9.017 0.511 9.643 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -10.140 1.612 8.869 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -10.034 -0.334 6.971 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -9.693 -1.295 8.395 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -11.816 0.384 9.173 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.209 -0.083 7.531 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.380 -2.418 8.966 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.012 -0.070 8.807 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -15.224 -1.215 9.391 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -12.943 -3.883 9.717 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -14.621 -3.364 9.904 1.00 0.00 H new ATOM 703 N GLU A 43 -7.970 -0.218 6.031 1.00 0.00 N ATOM 704 CA GLU A 43 -7.265 -1.233 5.287 1.00 0.00 C ATOM 705 C GLU A 43 -5.945 -0.656 4.795 1.00 0.00 C ATOM 706 O GLU A 43 -4.956 -1.371 4.662 1.00 0.00 O ATOM 707 CB GLU A 43 -8.110 -1.744 4.124 1.00 0.00 C ATOM 708 CG GLU A 43 -8.948 -2.960 4.476 1.00 0.00 C ATOM 709 CD GLU A 43 -9.010 -3.971 3.350 1.00 0.00 C ATOM 710 OE1 GLU A 43 -9.541 -3.628 2.275 1.00 0.00 O ATOM 711 OE2 GLU A 43 -8.527 -5.107 3.545 1.00 0.00 O ATOM 0 H GLU A 43 -8.845 0.093 5.610 1.00 0.00 H new ATOM 0 HA GLU A 43 -7.065 -2.085 5.936 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.768 -0.944 3.784 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.454 -1.993 3.290 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.534 -3.437 5.365 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.959 -2.639 4.727 1.00 0.00 H new ATOM 718 N THR A 44 -5.919 0.661 4.588 1.00 0.00 N ATOM 719 CA THR A 44 -4.681 1.339 4.239 1.00 0.00 C ATOM 720 C THR A 44 -3.723 1.194 5.401 1.00 0.00 C ATOM 721 O THR A 44 -2.516 1.113 5.214 1.00 0.00 O ATOM 722 CB THR A 44 -4.902 2.826 3.894 1.00 0.00 C ATOM 723 OG1 THR A 44 -6.022 3.000 3.047 1.00 0.00 O ATOM 724 CG2 THR A 44 -3.712 3.467 3.202 1.00 0.00 C ATOM 0 H THR A 44 -6.735 1.270 4.656 1.00 0.00 H new ATOM 0 HA THR A 44 -4.267 0.879 3.342 1.00 0.00 H new ATOM 0 HB THR A 44 -5.059 3.312 4.857 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.499 2.149 2.956 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.935 4.512 2.988 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.838 3.408 3.851 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.507 2.942 2.269 1.00 0.00 H new ATOM 732 N LYS A 45 -4.279 1.065 6.603 1.00 0.00 N ATOM 733 CA LYS A 45 -3.464 0.808 7.772 1.00 0.00 C ATOM 734 C LYS A 45 -2.700 -0.491 7.561 1.00 0.00 C ATOM 735 O LYS A 45 -1.478 -0.543 7.729 1.00 0.00 O ATOM 736 CB LYS A 45 -4.332 0.714 9.030 1.00 0.00 C ATOM 737 CG LYS A 45 -3.641 1.221 10.284 1.00 0.00 C ATOM 738 CD LYS A 45 -4.519 2.198 11.049 1.00 0.00 C ATOM 739 CE LYS A 45 -3.703 3.334 11.643 1.00 0.00 C ATOM 740 NZ LYS A 45 -3.487 4.434 10.664 1.00 0.00 N ATOM 0 H LYS A 45 -5.280 1.134 6.785 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.763 1.631 7.911 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.247 1.285 8.873 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.626 -0.325 9.182 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.388 0.378 10.927 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.704 1.708 10.013 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.279 2.605 10.382 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.044 1.670 11.846 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.213 3.726 12.523 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.739 2.952 11.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.926 5.189 11.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.977 4.066 9.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.406 4.817 10.363 1.00 0.00 H new ATOM 754 N VAL A 46 -3.412 -1.528 7.114 1.00 0.00 N ATOM 755 CA VAL A 46 -2.758 -2.804 6.833 1.00 0.00 C ATOM 756 C VAL A 46 -1.978 -2.726 5.523 1.00 0.00 C ATOM 757 O VAL A 46 -0.876 -3.266 5.416 1.00 0.00 O ATOM 758 CB VAL A 46 -3.740 -3.992 6.777 1.00 0.00 C ATOM 759 CG1 VAL A 46 -4.466 -4.147 8.105 1.00 0.00 C ATOM 760 CG2 VAL A 46 -4.730 -3.838 5.638 1.00 0.00 C ATOM 0 H VAL A 46 -4.417 -1.511 6.943 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.078 -2.987 7.665 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.161 -4.896 6.591 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.155 -4.990 8.047 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.740 -4.326 8.898 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.024 -3.237 8.323 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.407 -4.692 5.627 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.304 -2.921 5.776 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.191 -3.790 4.692 1.00 0.00 H new ATOM 770 N GLY A 47 -2.535 -2.021 4.540 1.00 0.00 N ATOM 771 CA GLY A 47 -1.852 -1.855 3.274 1.00 0.00 C ATOM 772 C GLY A 47 -0.534 -1.136 3.450 1.00 0.00 C ATOM 773 O GLY A 47 0.473 -1.515 2.856 1.00 0.00 O ATOM 0 H GLY A 47 -3.445 -1.564 4.601 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.678 -2.831 2.822 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.486 -1.294 2.587 1.00 0.00 H new ATOM 777 N VAL A 48 -0.537 -0.108 4.294 1.00 0.00 N ATOM 778 CA VAL A 48 0.680 0.626 4.599 1.00 0.00 C ATOM 779 C VAL A 48 1.695 -0.319 5.207 1.00 0.00 C ATOM 780 O VAL A 48 2.888 -0.218 4.950 1.00 0.00 O ATOM 781 CB VAL A 48 0.424 1.792 5.572 1.00 0.00 C ATOM 782 CG1 VAL A 48 1.732 2.447 5.990 1.00 0.00 C ATOM 783 CG2 VAL A 48 -0.503 2.806 4.938 1.00 0.00 C ATOM 0 H VAL A 48 -1.369 0.233 4.776 1.00 0.00 H new ATOM 0 HA VAL A 48 1.057 1.047 3.667 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.053 1.395 6.468 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.525 3.267 6.677 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.366 1.711 6.485 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.244 2.833 5.108 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.677 3.626 5.635 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.048 3.195 4.027 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.452 2.329 4.695 1.00 0.00 H new ATOM 793 N GLU A 49 1.213 -1.237 6.024 1.00 0.00 N ATOM 794 CA GLU A 49 2.096 -2.220 6.630 1.00 0.00 C ATOM 795 C GLU A 49 2.742 -3.064 5.541 1.00 0.00 C ATOM 796 O GLU A 49 3.915 -3.425 5.634 1.00 0.00 O ATOM 797 CB GLU A 49 1.333 -3.094 7.622 1.00 0.00 C ATOM 798 CG GLU A 49 2.148 -3.483 8.844 1.00 0.00 C ATOM 799 CD GLU A 49 1.281 -3.755 10.058 1.00 0.00 C ATOM 800 OE1 GLU A 49 0.581 -4.789 10.068 1.00 0.00 O ATOM 801 OE2 GLU A 49 1.303 -2.934 10.999 1.00 0.00 O ATOM 0 H GLU A 49 0.230 -1.324 6.282 1.00 0.00 H new ATOM 0 HA GLU A 49 2.879 -1.703 7.184 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.438 -2.564 7.947 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.000 -3.999 7.114 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.737 -4.371 8.616 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.852 -2.684 9.076 1.00 0.00 H new ATOM 808 N VAL A 50 1.988 -3.331 4.481 1.00 0.00 N ATOM 809 CA VAL A 50 2.548 -3.988 3.315 1.00 0.00 C ATOM 810 C VAL A 50 3.469 -2.984 2.652 1.00 0.00 C ATOM 811 O VAL A 50 4.626 -3.265 2.342 1.00 0.00 O ATOM 812 CB VAL A 50 1.429 -4.476 2.343 1.00 0.00 C ATOM 813 CG1 VAL A 50 1.733 -4.256 0.869 1.00 0.00 C ATOM 814 CG2 VAL A 50 1.138 -5.947 2.601 1.00 0.00 C ATOM 0 H VAL A 50 0.996 -3.104 4.408 1.00 0.00 H new ATOM 0 HA VAL A 50 3.100 -4.883 3.601 1.00 0.00 H new ATOM 0 HB VAL A 50 0.554 -3.862 2.556 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.902 -4.624 0.267 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.873 -3.191 0.681 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.642 -4.794 0.601 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.356 -6.288 1.922 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.043 -6.531 2.435 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.806 -6.077 3.631 1.00 0.00 H new ATOM 824 N ASN A 51 2.956 -1.775 2.531 1.00 0.00 N ATOM 825 CA ASN A 51 3.710 -0.680 1.976 1.00 0.00 C ATOM 826 C ASN A 51 5.053 -0.570 2.683 1.00 0.00 C ATOM 827 O ASN A 51 6.056 -0.173 2.094 1.00 0.00 O ATOM 828 CB ASN A 51 2.921 0.616 2.117 1.00 0.00 C ATOM 829 CG ASN A 51 3.467 1.730 1.257 1.00 0.00 C ATOM 830 OD1 ASN A 51 4.030 1.485 0.193 1.00 0.00 O ATOM 831 ND2 ASN A 51 3.306 2.964 1.723 1.00 0.00 N ATOM 0 H ASN A 51 2.008 -1.530 2.815 1.00 0.00 H new ATOM 0 HA ASN A 51 3.888 -0.863 0.916 1.00 0.00 H new ATOM 0 HB2 ASN A 51 1.880 0.433 1.849 1.00 0.00 H new ATOM 0 HB3 ASN A 51 2.931 0.931 3.161 1.00 0.00 H new ATOM 0 HD21 ASN A 51 3.657 3.760 1.191 1.00 0.00 H new ATOM 0 HD22 ASN A 51 2.831 3.115 2.613 1.00 0.00 H new ATOM 838 N LYS A 52 5.049 -0.920 3.963 1.00 0.00 N ATOM 839 CA LYS A 52 6.254 -0.913 4.760 1.00 0.00 C ATOM 840 C LYS A 52 7.184 -2.028 4.305 1.00 0.00 C ATOM 841 O LYS A 52 8.399 -1.844 4.233 1.00 0.00 O ATOM 842 CB LYS A 52 5.917 -1.097 6.240 1.00 0.00 C ATOM 843 CG LYS A 52 5.685 0.212 6.978 1.00 0.00 C ATOM 844 CD LYS A 52 6.257 0.166 8.386 1.00 0.00 C ATOM 845 CE LYS A 52 5.810 1.363 9.208 1.00 0.00 C ATOM 846 NZ LYS A 52 6.957 2.046 9.868 1.00 0.00 N ATOM 0 H LYS A 52 4.213 -1.214 4.469 1.00 0.00 H new ATOM 0 HA LYS A 52 6.751 0.048 4.629 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.024 -1.717 6.327 1.00 0.00 H new ATOM 0 HB3 LYS A 52 6.729 -1.639 6.725 1.00 0.00 H new ATOM 0 HG2 LYS A 52 6.145 1.030 6.424 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.616 0.420 7.025 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.941 -0.753 8.879 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.346 0.143 8.337 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.289 2.071 8.564 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.098 1.037 9.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.608 2.857 10.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.440 1.379 10.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.625 2.381 9.144 1.00 0.00 H new ATOM 860 N PHE A 53 6.587 -3.190 3.997 1.00 0.00 N ATOM 861 CA PHE A 53 7.330 -4.396 3.598 1.00 0.00 C ATOM 862 C PHE A 53 8.686 -4.463 4.308 1.00 0.00 C ATOM 863 O PHE A 53 9.728 -4.169 3.722 1.00 0.00 O ATOM 864 CB PHE A 53 7.486 -4.488 2.073 1.00 0.00 C ATOM 865 CG PHE A 53 8.059 -3.263 1.415 1.00 0.00 C ATOM 866 CD1 PHE A 53 9.427 -3.141 1.225 1.00 0.00 C ATOM 867 CD2 PHE A 53 7.230 -2.263 0.925 1.00 0.00 C ATOM 868 CE1 PHE A 53 9.957 -2.032 0.597 1.00 0.00 C ATOM 869 CE2 PHE A 53 7.759 -1.150 0.295 1.00 0.00 C ATOM 870 CZ PHE A 53 9.129 -1.040 0.136 1.00 0.00 C ATOM 0 H PHE A 53 5.576 -3.320 4.018 1.00 0.00 H new ATOM 0 HA PHE A 53 6.747 -5.262 3.911 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.125 -5.339 1.840 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.509 -4.693 1.635 1.00 0.00 H new ATOM 0 HD1 PHE A 53 10.086 -3.923 1.573 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.160 -2.355 1.037 1.00 0.00 H new ATOM 0 HE1 PHE A 53 11.026 -1.945 0.468 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.106 -0.371 -0.071 1.00 0.00 H new ATOM 0 HZ PHE A 53 9.547 -0.172 -0.352 1.00 0.00 H new ATOM 880 N LYS A 54 8.637 -4.777 5.600 1.00 0.00 N ATOM 881 CA LYS A 54 9.817 -4.746 6.453 1.00 0.00 C ATOM 882 C LYS A 54 10.689 -6.012 6.340 1.00 0.00 C ATOM 883 O LYS A 54 11.465 -6.140 5.394 1.00 0.00 O ATOM 884 CB LYS A 54 9.382 -4.507 7.896 1.00 0.00 C ATOM 885 CG LYS A 54 10.547 -4.429 8.868 1.00 0.00 C ATOM 886 CD LYS A 54 11.070 -3.009 9.006 1.00 0.00 C ATOM 887 CE LYS A 54 9.971 -2.045 9.421 1.00 0.00 C ATOM 888 NZ LYS A 54 10.498 -0.916 10.235 1.00 0.00 N ATOM 0 H LYS A 54 7.783 -5.058 6.081 1.00 0.00 H new ATOM 0 HA LYS A 54 10.449 -3.927 6.111 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.812 -3.580 7.948 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.713 -5.310 8.205 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.232 -4.797 9.844 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.351 -5.081 8.526 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.872 -2.986 9.744 1.00 0.00 H new ATOM 0 HD3 LYS A 54 11.500 -2.685 8.058 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.479 -1.652 8.532 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.214 -2.582 9.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.750 -0.205 10.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.807 -1.271 11.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 11.305 -0.481 9.744 1.00 0.00 H new ATOM 902 N LYS A 55 10.634 -6.905 7.343 1.00 0.00 N ATOM 903 CA LYS A 55 11.487 -8.093 7.343 1.00 0.00 C ATOM 904 C LYS A 55 10.820 -9.263 6.628 1.00 0.00 C ATOM 905 O LYS A 55 10.991 -9.441 5.421 1.00 0.00 O ATOM 906 CB LYS A 55 11.878 -8.499 8.762 1.00 0.00 C ATOM 907 CG LYS A 55 12.777 -7.492 9.448 1.00 0.00 C ATOM 908 CD LYS A 55 12.353 -7.273 10.885 1.00 0.00 C ATOM 909 CE LYS A 55 10.914 -6.807 10.936 1.00 0.00 C ATOM 910 NZ LYS A 55 10.067 -7.694 11.780 1.00 0.00 N ATOM 0 H LYS A 55 10.016 -6.824 8.150 1.00 0.00 H new ATOM 0 HA LYS A 55 12.393 -7.831 6.797 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.974 -8.632 9.356 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.384 -9.464 8.730 1.00 0.00 H new ATOM 0 HG2 LYS A 55 13.809 -7.842 9.419 1.00 0.00 H new ATOM 0 HG3 LYS A 55 12.746 -6.546 8.908 1.00 0.00 H new ATOM 0 HD2 LYS A 55 12.464 -8.198 11.450 1.00 0.00 H new ATOM 0 HD3 LYS A 55 13.000 -6.532 11.355 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.876 -5.791 11.328 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.508 -6.774 9.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.090 -7.338 11.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.081 -8.659 11.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.438 -7.706 12.752 1.00 0.00 H new ATOM 924 N SER A 56 10.058 -10.062 7.373 1.00 0.00 N ATOM 925 CA SER A 56 9.347 -11.185 6.786 1.00 0.00 C ATOM 926 C SER A 56 8.409 -10.688 5.700 1.00 0.00 C ATOM 927 O SER A 56 8.020 -11.439 4.805 1.00 0.00 O ATOM 928 CB SER A 56 8.554 -11.940 7.853 1.00 0.00 C ATOM 929 OG SER A 56 9.329 -12.137 9.023 1.00 0.00 O ATOM 0 H SER A 56 9.921 -9.950 8.377 1.00 0.00 H new ATOM 0 HA SER A 56 10.076 -11.868 6.350 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.651 -11.382 8.101 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.235 -12.905 7.458 1.00 0.00 H new ATOM 0 HG SER A 56 8.798 -12.620 9.690 1.00 0.00 H new ATOM 935 N THR A 57 8.051 -9.410 5.783 1.00 0.00 N ATOM 936 CA THR A 57 7.229 -8.792 4.770 1.00 0.00 C ATOM 937 C THR A 57 8.139 -8.244 3.688 1.00 0.00 C ATOM 938 O THR A 57 8.256 -7.034 3.493 1.00 0.00 O ATOM 939 CB THR A 57 6.379 -7.681 5.389 1.00 0.00 C ATOM 940 OG1 THR A 57 6.971 -7.203 6.585 1.00 0.00 O ATOM 941 CG2 THR A 57 4.970 -8.113 5.712 1.00 0.00 C ATOM 0 H THR A 57 8.322 -8.789 6.545 1.00 0.00 H new ATOM 0 HA THR A 57 6.548 -9.523 4.334 1.00 0.00 H new ATOM 0 HB THR A 57 6.333 -6.898 4.632 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.413 -6.492 6.965 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.424 -7.276 6.148 1.00 0.00 H new ATOM 0 HG22 THR A 57 4.470 -8.436 4.799 1.00 0.00 H new ATOM 0 HG23 THR A 57 4.997 -8.939 6.423 1.00 0.00 H new ATOM 949 N ASN A 58 8.785 -9.168 2.998 1.00 0.00 N ATOM 950 CA ASN A 58 9.746 -8.842 1.960 1.00 0.00 C ATOM 951 C ASN A 58 9.115 -8.015 0.853 1.00 0.00 C ATOM 952 O ASN A 58 7.900 -7.971 0.721 1.00 0.00 O ATOM 953 CB ASN A 58 10.337 -10.118 1.368 1.00 0.00 C ATOM 954 CG ASN A 58 11.841 -10.038 1.199 1.00 0.00 C ATOM 955 OD1 ASN A 58 12.586 -10.000 2.178 1.00 0.00 O ATOM 956 ND2 ASN A 58 12.296 -10.014 -0.048 1.00 0.00 N ATOM 0 H ASN A 58 8.657 -10.169 3.143 1.00 0.00 H new ATOM 0 HA ASN A 58 10.537 -8.250 2.420 1.00 0.00 H new ATOM 0 HB2 ASN A 58 10.092 -10.961 2.013 1.00 0.00 H new ATOM 0 HB3 ASN A 58 9.876 -10.313 0.400 1.00 0.00 H new ATOM 0 HD21 ASN A 58 13.299 -9.962 -0.224 1.00 0.00 H new ATOM 0 HD22 ASN A 58 11.642 -10.047 -0.830 1.00 0.00 H new ATOM 963 N VAL A 59 9.958 -7.326 0.086 1.00 0.00 N ATOM 964 CA VAL A 59 9.503 -6.493 -1.039 1.00 0.00 C ATOM 965 C VAL A 59 8.369 -7.157 -1.797 1.00 0.00 C ATOM 966 O VAL A 59 7.472 -6.487 -2.307 1.00 0.00 O ATOM 967 CB VAL A 59 10.633 -6.210 -2.052 1.00 0.00 C ATOM 968 CG1 VAL A 59 10.329 -4.953 -2.852 1.00 0.00 C ATOM 969 CG2 VAL A 59 11.981 -6.102 -1.364 1.00 0.00 C ATOM 0 H VAL A 59 10.969 -7.325 0.220 1.00 0.00 H new ATOM 0 HA VAL A 59 9.168 -5.557 -0.592 1.00 0.00 H new ATOM 0 HB VAL A 59 10.684 -7.053 -2.741 1.00 0.00 H new ATOM 0 HG11 VAL A 59 11.136 -4.769 -3.561 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.393 -5.084 -3.394 1.00 0.00 H new ATOM 0 HG13 VAL A 59 10.240 -4.103 -2.175 1.00 0.00 H new ATOM 0 HG21 VAL A 59 12.754 -5.902 -2.107 1.00 0.00 H new ATOM 0 HG22 VAL A 59 11.955 -5.288 -0.639 1.00 0.00 H new ATOM 0 HG23 VAL A 59 12.204 -7.038 -0.851 1.00 0.00 H new ATOM 979 N GLU A 60 8.390 -8.483 -1.829 1.00 0.00 N ATOM 980 CA GLU A 60 7.327 -9.243 -2.489 1.00 0.00 C ATOM 981 C GLU A 60 5.969 -8.741 -2.006 1.00 0.00 C ATOM 982 O GLU A 60 4.982 -8.756 -2.742 1.00 0.00 O ATOM 983 CB GLU A 60 7.474 -10.736 -2.190 1.00 0.00 C ATOM 984 CG GLU A 60 7.153 -11.104 -0.751 1.00 0.00 C ATOM 985 CD GLU A 60 7.664 -12.480 -0.373 1.00 0.00 C ATOM 986 OE1 GLU A 60 7.419 -13.436 -1.140 1.00 0.00 O ATOM 987 OE2 GLU A 60 8.310 -12.602 0.689 1.00 0.00 O ATOM 0 H GLU A 60 9.124 -9.055 -1.410 1.00 0.00 H new ATOM 0 HA GLU A 60 7.403 -9.100 -3.567 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.817 -11.297 -2.855 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.495 -11.044 -2.416 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.591 -10.362 -0.084 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.074 -11.068 -0.603 1.00 0.00 H new ATOM 994 N ILE A 61 5.968 -8.216 -0.785 1.00 0.00 N ATOM 995 CA ILE A 61 4.794 -7.612 -0.190 1.00 0.00 C ATOM 996 C ILE A 61 4.195 -6.582 -1.154 1.00 0.00 C ATOM 997 O ILE A 61 2.980 -6.432 -1.237 1.00 0.00 O ATOM 998 CB ILE A 61 5.169 -6.980 1.183 1.00 0.00 C ATOM 999 CG1 ILE A 61 5.011 -7.992 2.321 1.00 0.00 C ATOM 1000 CG2 ILE A 61 4.341 -5.757 1.517 1.00 0.00 C ATOM 1001 CD1 ILE A 61 5.268 -9.435 1.943 1.00 0.00 C ATOM 0 H ILE A 61 6.790 -8.200 -0.181 1.00 0.00 H new ATOM 0 HA ILE A 61 4.034 -8.372 -0.008 1.00 0.00 H new ATOM 0 HB ILE A 61 6.212 -6.677 1.087 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.692 -7.718 3.126 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.999 -7.912 2.718 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.649 -5.362 2.485 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.490 -4.996 0.751 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.287 -6.031 1.556 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.130 -10.070 2.818 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.570 -9.736 1.162 1.00 0.00 H new ATOM 0 HD13 ILE A 61 6.289 -9.539 1.577 1.00 0.00 H new ATOM 1013 N SER A 62 5.051 -5.891 -1.900 1.00 0.00 N ATOM 1014 CA SER A 62 4.563 -4.924 -2.881 1.00 0.00 C ATOM 1015 C SER A 62 3.590 -5.608 -3.829 1.00 0.00 C ATOM 1016 O SER A 62 2.435 -5.197 -3.955 1.00 0.00 O ATOM 1017 CB SER A 62 5.727 -4.304 -3.655 1.00 0.00 C ATOM 1018 OG SER A 62 5.431 -2.973 -4.044 1.00 0.00 O ATOM 0 H SER A 62 6.066 -5.978 -1.848 1.00 0.00 H new ATOM 0 HA SER A 62 4.044 -4.120 -2.359 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.625 -4.314 -3.037 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.941 -4.905 -4.539 1.00 0.00 H new ATOM 0 HG SER A 62 4.617 -2.672 -3.588 1.00 0.00 H new ATOM 1024 N LYS A 63 4.019 -6.717 -4.414 1.00 0.00 N ATOM 1025 CA LYS A 63 3.134 -7.503 -5.236 1.00 0.00 C ATOM 1026 C LYS A 63 1.972 -7.983 -4.386 1.00 0.00 C ATOM 1027 O LYS A 63 0.846 -8.121 -4.862 1.00 0.00 O ATOM 1028 CB LYS A 63 3.882 -8.689 -5.816 1.00 0.00 C ATOM 1029 CG LYS A 63 3.627 -8.886 -7.292 1.00 0.00 C ATOM 1030 CD LYS A 63 4.634 -9.850 -7.887 1.00 0.00 C ATOM 1031 CE LYS A 63 4.075 -10.570 -9.103 1.00 0.00 C ATOM 1032 NZ LYS A 63 3.585 -9.618 -10.139 1.00 0.00 N ATOM 0 H LYS A 63 4.967 -7.084 -4.331 1.00 0.00 H new ATOM 0 HA LYS A 63 2.758 -6.895 -6.059 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.951 -8.552 -5.653 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.591 -9.592 -5.279 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.617 -9.268 -7.444 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.686 -7.927 -7.807 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.535 -9.306 -8.169 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.926 -10.582 -7.134 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.847 -11.208 -9.533 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.258 -11.222 -8.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.354 -10.140 -11.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.734 -9.133 -9.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.324 -8.916 -10.343 1.00 0.00 H new ATOM 1046 N LEU A 64 2.257 -8.197 -3.104 1.00 0.00 N ATOM 1047 CA LEU A 64 1.245 -8.629 -2.163 1.00 0.00 C ATOM 1048 C LEU A 64 0.185 -7.551 -1.990 1.00 0.00 C ATOM 1049 O LEU A 64 -0.993 -7.868 -1.880 1.00 0.00 O ATOM 1050 CB LEU A 64 1.869 -8.989 -0.818 1.00 0.00 C ATOM 1051 CG LEU A 64 1.029 -9.923 0.048 1.00 0.00 C ATOM 1052 CD1 LEU A 64 1.876 -11.075 0.572 1.00 0.00 C ATOM 1053 CD2 LEU A 64 0.403 -9.150 1.196 1.00 0.00 C ATOM 0 H LEU A 64 3.185 -8.076 -2.699 1.00 0.00 H new ATOM 0 HA LEU A 64 0.768 -9.523 -2.564 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.838 -9.455 -0.996 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.055 -8.070 -0.262 1.00 0.00 H new ATOM 0 HG LEU A 64 0.230 -10.342 -0.564 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.259 -11.730 1.187 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.280 -11.641 -0.268 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.696 -10.680 1.172 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.194 -9.827 1.807 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.189 -8.707 1.807 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.236 -8.361 0.798 1.00 0.00 H new ATOM 1065 N VAL A 65 0.584 -6.272 -2.002 1.00 0.00 N ATOM 1066 CA VAL A 65 -0.408 -5.206 -1.904 1.00 0.00 C ATOM 1067 C VAL A 65 -1.387 -5.335 -3.058 1.00 0.00 C ATOM 1068 O VAL A 65 -2.597 -5.218 -2.873 1.00 0.00 O ATOM 1069 CB VAL A 65 0.186 -3.771 -1.850 1.00 0.00 C ATOM 1070 CG1 VAL A 65 0.487 -3.186 -3.228 1.00 0.00 C ATOM 1071 CG2 VAL A 65 -0.773 -2.864 -1.101 1.00 0.00 C ATOM 0 H VAL A 65 1.553 -5.962 -2.076 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.912 -5.337 -0.947 1.00 0.00 H new ATOM 0 HB VAL A 65 1.142 -3.838 -1.331 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.899 -2.183 -3.115 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.210 -3.820 -3.742 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.433 -3.137 -3.811 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.362 -1.855 -1.059 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.733 -2.844 -1.617 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.914 -3.241 -0.088 1.00 0.00 H new ATOM 1081 N LYS A 66 -0.852 -5.640 -4.240 1.00 0.00 N ATOM 1082 CA LYS A 66 -1.696 -5.839 -5.414 1.00 0.00 C ATOM 1083 C LYS A 66 -2.726 -6.925 -5.127 1.00 0.00 C ATOM 1084 O LYS A 66 -3.936 -6.718 -5.276 1.00 0.00 O ATOM 1085 CB LYS A 66 -0.847 -6.215 -6.625 1.00 0.00 C ATOM 1086 CG LYS A 66 -1.544 -5.968 -7.951 1.00 0.00 C ATOM 1087 CD LYS A 66 -0.550 -5.540 -9.012 1.00 0.00 C ATOM 1088 CE LYS A 66 0.441 -6.650 -9.308 1.00 0.00 C ATOM 1089 NZ LYS A 66 1.726 -6.124 -9.846 1.00 0.00 N ATOM 0 H LYS A 66 0.148 -5.753 -4.408 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.215 -4.908 -5.639 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.082 -5.645 -6.599 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.576 -7.269 -6.556 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.057 -6.875 -8.272 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.306 -5.198 -7.828 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.081 -5.269 -9.925 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.016 -4.651 -8.678 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.634 -7.215 -8.396 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.004 -7.343 -10.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.374 -6.916 -10.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.546 -5.606 -10.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.157 -5.482 -9.150 1.00 0.00 H new ATOM 1103 N LYS A 67 -2.245 -8.059 -4.635 1.00 0.00 N ATOM 1104 CA LYS A 67 -3.131 -9.135 -4.224 1.00 0.00 C ATOM 1105 C LYS A 67 -4.009 -8.635 -3.087 1.00 0.00 C ATOM 1106 O LYS A 67 -5.180 -9.000 -2.971 1.00 0.00 O ATOM 1107 CB LYS A 67 -2.328 -10.359 -3.777 1.00 0.00 C ATOM 1108 CG LYS A 67 -3.187 -11.469 -3.194 1.00 0.00 C ATOM 1109 CD LYS A 67 -4.181 -11.998 -4.214 1.00 0.00 C ATOM 1110 CE LYS A 67 -4.381 -13.499 -4.069 1.00 0.00 C ATOM 1111 NZ LYS A 67 -5.787 -13.903 -4.353 1.00 0.00 N ATOM 0 H LYS A 67 -1.252 -8.255 -4.512 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.752 -9.435 -5.068 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.773 -10.750 -4.629 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.594 -10.050 -3.033 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.548 -12.283 -2.851 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.723 -11.095 -2.322 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.137 -11.489 -4.091 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.827 -11.772 -5.220 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.709 -14.022 -4.749 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.113 -13.805 -3.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.881 -14.933 -4.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.427 -13.424 -3.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.035 -13.634 -5.327 1.00 0.00 H new ATOM 1125 N MET A 68 -3.432 -7.752 -2.279 1.00 0.00 N ATOM 1126 CA MET A 68 -4.139 -7.123 -1.182 1.00 0.00 C ATOM 1127 C MET A 68 -5.292 -6.293 -1.734 1.00 0.00 C ATOM 1128 O MET A 68 -6.329 -6.161 -1.094 1.00 0.00 O ATOM 1129 CB MET A 68 -3.174 -6.258 -0.355 1.00 0.00 C ATOM 1130 CG MET A 68 -3.464 -6.247 1.140 1.00 0.00 C ATOM 1131 SD MET A 68 -3.381 -7.893 1.873 1.00 0.00 S ATOM 1132 CE MET A 68 -2.279 -7.595 3.253 1.00 0.00 C ATOM 0 H MET A 68 -2.460 -7.456 -2.371 1.00 0.00 H new ATOM 0 HA MET A 68 -4.547 -7.888 -0.521 1.00 0.00 H new ATOM 0 HB2 MET A 68 -2.157 -6.617 -0.513 1.00 0.00 H new ATOM 0 HB3 MET A 68 -3.212 -5.234 -0.728 1.00 0.00 H new ATOM 0 HG2 MET A 68 -2.749 -5.594 1.640 1.00 0.00 H new ATOM 0 HG3 MET A 68 -4.455 -5.826 1.311 1.00 0.00 H new ATOM 0 HE1 MET A 68 -2.413 -8.376 4.001 1.00 0.00 H new ATOM 0 HE2 MET A 68 -1.247 -7.602 2.902 1.00 0.00 H new ATOM 0 HE3 MET A 68 -2.505 -6.625 3.697 1.00 0.00 H new ATOM 1142 N ILE A 69 -5.109 -5.753 -2.943 1.00 0.00 N ATOM 1143 CA ILE A 69 -6.170 -4.999 -3.607 1.00 0.00 C ATOM 1144 C ILE A 69 -7.374 -5.895 -3.839 1.00 0.00 C ATOM 1145 O ILE A 69 -8.506 -5.532 -3.523 1.00 0.00 O ATOM 1146 CB ILE A 69 -5.728 -4.422 -4.969 1.00 0.00 C ATOM 1147 CG1 ILE A 69 -4.488 -3.543 -4.816 1.00 0.00 C ATOM 1148 CG2 ILE A 69 -6.863 -3.630 -5.602 1.00 0.00 C ATOM 1149 CD1 ILE A 69 -3.942 -3.042 -6.136 1.00 0.00 C ATOM 0 H ILE A 69 -4.242 -5.824 -3.476 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.419 -4.168 -2.948 1.00 0.00 H new ATOM 0 HB ILE A 69 -5.474 -5.256 -5.623 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -4.732 -2.689 -4.184 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.712 -4.109 -4.301 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -6.536 -3.229 -6.562 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -7.722 -4.284 -5.755 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -7.145 -2.809 -4.943 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.062 -2.424 -5.955 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.667 -3.891 -6.762 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.703 -2.449 -6.643 1.00 0.00 H new ATOM 1161 N SER A 70 -7.119 -7.075 -4.390 1.00 0.00 N ATOM 1162 CA SER A 70 -8.189 -8.025 -4.660 1.00 0.00 C ATOM 1163 C SER A 70 -9.029 -8.257 -3.408 1.00 0.00 C ATOM 1164 O SER A 70 -10.256 -8.153 -3.442 1.00 0.00 O ATOM 1165 CB SER A 70 -7.611 -9.354 -5.150 1.00 0.00 C ATOM 1166 OG SER A 70 -8.629 -10.198 -5.657 1.00 0.00 O ATOM 0 H SER A 70 -6.188 -7.395 -4.657 1.00 0.00 H new ATOM 0 HA SER A 70 -8.827 -7.607 -5.439 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.869 -9.167 -5.927 1.00 0.00 H new ATOM 0 HB3 SER A 70 -7.095 -9.854 -4.330 1.00 0.00 H new ATOM 0 HG SER A 70 -8.233 -11.040 -5.965 1.00 0.00 H new ATOM 1172 N SER A 71 -8.360 -8.574 -2.304 1.00 0.00 N ATOM 1173 CA SER A 71 -9.041 -8.817 -1.038 1.00 0.00 C ATOM 1174 C SER A 71 -9.447 -7.511 -0.361 1.00 0.00 C ATOM 1175 O SER A 71 -10.347 -7.493 0.480 1.00 0.00 O ATOM 1176 CB SER A 71 -8.143 -9.630 -0.104 1.00 0.00 C ATOM 1177 OG SER A 71 -8.242 -11.017 -0.380 1.00 0.00 O ATOM 0 H SER A 71 -7.345 -8.669 -2.261 1.00 0.00 H new ATOM 0 HA SER A 71 -9.948 -9.382 -1.252 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.108 -9.307 -0.217 1.00 0.00 H new ATOM 0 HB3 SER A 71 -8.425 -9.441 0.932 1.00 0.00 H new ATOM 0 HG SER A 71 -7.657 -11.514 0.229 1.00 0.00 H new ATOM 1183 N TRP A 72 -8.773 -6.419 -0.716 1.00 0.00 N ATOM 1184 CA TRP A 72 -9.057 -5.123 -0.111 1.00 0.00 C ATOM 1185 C TRP A 72 -10.535 -4.788 -0.240 1.00 0.00 C ATOM 1186 O TRP A 72 -11.210 -4.525 0.753 1.00 0.00 O ATOM 1187 CB TRP A 72 -8.223 -4.019 -0.774 1.00 0.00 C ATOM 1188 CG TRP A 72 -6.911 -3.753 -0.103 1.00 0.00 C ATOM 1189 CD1 TRP A 72 -6.511 -4.191 1.123 1.00 0.00 C ATOM 1190 CD2 TRP A 72 -5.828 -2.973 -0.624 1.00 0.00 C ATOM 1191 NE1 TRP A 72 -5.245 -3.730 1.401 1.00 0.00 N ATOM 1192 CE2 TRP A 72 -4.803 -2.982 0.341 1.00 0.00 C ATOM 1193 CE3 TRP A 72 -5.628 -2.261 -1.812 1.00 0.00 C ATOM 1194 CZ2 TRP A 72 -3.596 -2.311 0.152 1.00 0.00 C ATOM 1195 CZ3 TRP A 72 -4.426 -1.605 -2.000 1.00 0.00 C ATOM 1196 CH2 TRP A 72 -3.431 -1.625 -1.019 1.00 0.00 C ATOM 0 H TRP A 72 -8.031 -6.407 -1.416 1.00 0.00 H new ATOM 0 HA TRP A 72 -8.793 -5.181 0.945 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -8.038 -4.293 -1.813 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -8.805 -3.098 -0.787 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -7.102 -4.810 1.781 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -4.721 -3.915 2.256 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -6.399 -2.225 -2.568 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -2.820 -2.332 0.903 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -4.253 -1.068 -2.921 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -2.511 -1.086 -1.190 1.00 0.00 H new ATOM 1207 N LYS A 73 -11.039 -4.847 -1.465 1.00 0.00 N ATOM 1208 CA LYS A 73 -12.445 -4.580 -1.729 1.00 0.00 C ATOM 1209 C LYS A 73 -13.299 -5.755 -1.273 1.00 0.00 C ATOM 1210 O LYS A 73 -14.439 -5.580 -0.850 1.00 0.00 O ATOM 1211 CB LYS A 73 -12.666 -4.311 -3.218 1.00 0.00 C ATOM 1212 CG LYS A 73 -12.253 -2.913 -3.649 1.00 0.00 C ATOM 1213 CD LYS A 73 -13.419 -2.150 -4.257 1.00 0.00 C ATOM 1214 CE LYS A 73 -12.980 -1.324 -5.453 1.00 0.00 C ATOM 1215 NZ LYS A 73 -12.313 -2.159 -6.491 1.00 0.00 N ATOM 0 H LYS A 73 -10.492 -5.078 -2.294 1.00 0.00 H new ATOM 0 HA LYS A 73 -12.742 -3.693 -1.168 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.104 -5.043 -3.799 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.720 -4.459 -3.453 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.867 -2.365 -2.789 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.442 -2.979 -4.375 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -14.195 -2.852 -4.563 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -13.860 -1.497 -3.504 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.847 -0.827 -5.889 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -12.297 -0.542 -5.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -12.508 -1.763 -7.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -11.287 -2.166 -6.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -12.678 -3.131 -6.442 1.00 0.00 H new ATOM 1229 N ASP A 74 -12.734 -6.956 -1.360 1.00 0.00 N ATOM 1230 CA ASP A 74 -13.434 -8.160 -0.933 1.00 0.00 C ATOM 1231 C ASP A 74 -13.843 -8.046 0.531 1.00 0.00 C ATOM 1232 O ASP A 74 -14.898 -8.535 0.934 1.00 0.00 O ATOM 1233 CB ASP A 74 -12.547 -9.390 -1.136 1.00 0.00 C ATOM 1234 CG ASP A 74 -13.326 -10.588 -1.642 1.00 0.00 C ATOM 1235 OD1 ASP A 74 -14.463 -10.799 -1.170 1.00 0.00 O ATOM 1236 OD2 ASP A 74 -12.800 -11.315 -2.511 1.00 0.00 O ATOM 0 H ASP A 74 -11.795 -7.120 -1.722 1.00 0.00 H new ATOM 0 HA ASP A 74 -14.333 -8.271 -1.540 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.754 -9.150 -1.845 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -12.064 -9.646 -0.193 1.00 0.00 H new ATOM 1241 N ALA A 75 -12.996 -7.393 1.320 1.00 0.00 N ATOM 1242 CA ALA A 75 -13.256 -7.200 2.741 1.00 0.00 C ATOM 1243 C ALA A 75 -14.365 -6.185 2.968 1.00 0.00 C ATOM 1244 O ALA A 75 -15.246 -6.387 3.805 1.00 0.00 O ATOM 1245 CB ALA A 75 -11.985 -6.761 3.454 1.00 0.00 C ATOM 0 H ALA A 75 -12.118 -6.986 0.996 1.00 0.00 H new ATOM 0 HA ALA A 75 -13.585 -8.153 3.155 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -12.193 -6.620 4.515 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -11.217 -7.525 3.333 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -11.633 -5.822 3.026 1.00 0.00 H new ATOM 1251 N ILE A 76 -14.310 -5.085 2.232 1.00 0.00 N ATOM 1252 CA ILE A 76 -15.294 -4.023 2.378 1.00 0.00 C ATOM 1253 C ILE A 76 -16.583 -4.355 1.633 1.00 0.00 C ATOM 1254 O ILE A 76 -17.663 -3.895 2.004 1.00 0.00 O ATOM 1255 CB ILE A 76 -14.740 -2.672 1.872 1.00 0.00 C ATOM 1256 CG1 ILE A 76 -13.237 -2.544 2.172 1.00 0.00 C ATOM 1257 CG2 ILE A 76 -15.500 -1.511 2.495 1.00 0.00 C ATOM 1258 CD1 ILE A 76 -12.823 -3.072 3.532 1.00 0.00 C ATOM 0 H ILE A 76 -13.595 -4.905 1.528 1.00 0.00 H new ATOM 0 HA ILE A 76 -15.514 -3.938 3.442 1.00 0.00 H new ATOM 0 HB ILE A 76 -14.878 -2.640 0.791 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -12.679 -3.078 1.403 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -12.953 -1.494 2.101 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -15.094 -0.570 2.125 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -16.554 -1.581 2.228 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -15.397 -1.549 3.579 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -11.748 -2.943 3.661 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -13.351 -2.523 4.312 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -13.072 -4.131 3.602 1.00 0.00 H new ATOM 1270 N ASN A 77 -16.463 -5.161 0.585 1.00 0.00 N ATOM 1271 CA ASN A 77 -17.617 -5.559 -0.211 1.00 0.00 C ATOM 1272 C ASN A 77 -18.742 -6.079 0.677 1.00 0.00 C ATOM 1273 O ASN A 77 -19.857 -5.522 0.606 1.00 0.00 O ATOM 1274 CB ASN A 77 -17.213 -6.632 -1.224 1.00 0.00 C ATOM 1275 CG ASN A 77 -18.321 -6.946 -2.209 1.00 0.00 C ATOM 1276 OD1 ASN A 77 -19.135 -6.084 -2.540 1.00 0.00 O ATOM 1277 ND2 ASN A 77 -18.359 -8.186 -2.683 1.00 0.00 N ATOM 1278 OXT ASN A 77 -18.497 -7.039 1.437 1.00 0.00 O ATOM 0 H ASN A 77 -15.577 -5.552 0.266 1.00 0.00 H new ATOM 0 HA ASN A 77 -17.980 -4.680 -0.744 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -16.330 -6.298 -1.769 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -16.935 -7.542 -0.693 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -19.083 -8.456 -3.349 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -17.664 -8.869 -2.381 1.00 0.00 H new TER 1285 ASN A 77