USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 750 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 74 THR OG1 : rot 180:sc= -0.248 USER MOD Set 1.2: A 79 ASN : amide:sc= 0 X(o=-0.25,f=-0.11) USER MOD Set 2.1: A 29 TYR OH : rot 34:sc= 0.856 USER MOD Set 2.2: A 73 HIS : no HD1:sc= -2.21 K(o=-1.4,f=-2.1!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -2.55 K(o=-2.5,f=-0.12) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 SER OG : rot -57:sc= 0.0335 USER MOD Single : A -4 SER OG : rot 180:sc= 0 USER MOD Single : A -5 SER OG : rot 180:sc= 0 USER MOD Single : A -6 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 40:sc= 1.73 USER MOD Single : A 21 THR OG1 : rot -160:sc= 0.0811 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -1.13 K(o=-1.1,f=-0.31) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -1.69 X(o=-1.7,f=-2.1) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot -40:sc= -5.95! USER MOD Single : A 42 MET CE :methyl -142:sc= -0.0221 (180deg=-0.577) USER MOD Single : A 43 LYS NZ :NH3+ -108:sc= 0.462 (180deg=-1.72) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.00161 USER MOD Single : A 48 ASN : amide:sc= -0.13 X(o=-0.13,f=0) USER MOD Single : A 49 GLN : amide:sc= -0.932 K(o=-0.93,f=-5!) USER MOD Single : A 50 SER OG : rot 160:sc= -2.73! USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -135:sc= -0.257 (180deg=-2.23!) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 CYS SG : rot 170:sc= -0.395 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 160:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 CYS SG : rot -130:sc= -1.31 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0365 USER MOD Single : A 90 MET CE :methyl -173:sc= 0 (180deg=-0.03) USER MOD Single : A 91 GLN : amide:sc= -2.86! C(o=-2.9!,f=-3!) USER MOD Single : A 93 SER OG : rot -9:sc= 0.793! USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 8:sc= 0.0924 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -6 25.064 0.652 -7.281 1.00 0.00 N ATOM 2 CA GLY A -6 23.744 0.928 -7.817 1.00 0.00 C ATOM 3 C GLY A -6 23.475 2.413 -7.962 1.00 0.00 C ATOM 4 O GLY A -6 23.772 3.195 -7.060 1.00 0.00 O ATOM 0 H1 GLY A -6 25.198 -0.376 -7.201 1.00 0.00 H new ATOM 0 H2 GLY A -6 25.786 1.047 -7.916 1.00 0.00 H new ATOM 0 H3 GLY A -6 25.155 1.087 -6.341 1.00 0.00 H new ATOM 0 HA2 GLY A -6 23.643 0.447 -8.790 1.00 0.00 H new ATOM 0 HA3 GLY A -6 22.991 0.488 -7.164 1.00 0.00 H new ATOM 8 N SER A -5 22.914 2.802 -9.102 1.00 0.00 N ATOM 9 CA SER A -5 22.611 4.204 -9.366 1.00 0.00 C ATOM 10 C SER A -5 21.177 4.535 -8.962 1.00 0.00 C ATOM 11 O SER A -5 20.266 3.728 -9.148 1.00 0.00 O ATOM 12 CB SER A -5 22.823 4.524 -10.847 1.00 0.00 C ATOM 13 OG SER A -5 22.369 5.831 -11.156 1.00 0.00 O ATOM 0 H SER A -5 22.660 2.166 -9.858 1.00 0.00 H new ATOM 0 HA SER A -5 23.288 4.815 -8.770 1.00 0.00 H new ATOM 0 HB2 SER A -5 23.881 4.435 -11.094 1.00 0.00 H new ATOM 0 HB3 SER A -5 22.291 3.796 -11.459 1.00 0.00 H new ATOM 0 HG SER A -5 22.517 6.012 -12.108 1.00 0.00 H new ATOM 19 N SER A -4 20.985 5.728 -8.408 1.00 0.00 N ATOM 20 CA SER A -4 19.663 6.165 -7.975 1.00 0.00 C ATOM 21 C SER A -4 18.639 5.988 -9.091 1.00 0.00 C ATOM 22 O SER A -4 17.641 5.287 -8.928 1.00 0.00 O ATOM 23 CB SER A -4 19.707 7.630 -7.535 1.00 0.00 C ATOM 24 OG SER A -4 20.417 7.776 -6.317 1.00 0.00 O ATOM 0 H SER A -4 21.728 6.409 -8.249 1.00 0.00 H new ATOM 0 HA SER A -4 19.362 5.547 -7.129 1.00 0.00 H new ATOM 0 HB2 SER A -4 20.181 8.232 -8.310 1.00 0.00 H new ATOM 0 HB3 SER A -4 18.692 8.008 -7.415 1.00 0.00 H new ATOM 0 HG SER A -4 20.432 8.721 -6.058 1.00 0.00 H new ATOM 30 N GLY A -3 18.894 6.630 -10.227 1.00 0.00 N ATOM 31 CA GLY A -3 17.985 6.531 -11.355 1.00 0.00 C ATOM 32 C GLY A -3 16.549 6.826 -10.970 1.00 0.00 C ATOM 33 O GLY A -3 15.710 5.926 -10.940 1.00 0.00 O ATOM 0 H GLY A -3 19.713 7.217 -10.387 1.00 0.00 H new ATOM 0 HA2 GLY A -3 18.299 7.226 -12.133 1.00 0.00 H new ATOM 0 HA3 GLY A -3 18.046 5.529 -11.780 1.00 0.00 H new ATOM 37 N SER A -2 16.265 8.090 -10.672 1.00 0.00 N ATOM 38 CA SER A -2 14.922 8.500 -10.282 1.00 0.00 C ATOM 39 C SER A -2 14.145 9.030 -11.483 1.00 0.00 C ATOM 40 O SER A -2 13.441 10.036 -11.387 1.00 0.00 O ATOM 41 CB SER A -2 14.989 9.571 -9.191 1.00 0.00 C ATOM 42 OG SER A -2 13.759 9.668 -8.494 1.00 0.00 O ATOM 0 H SER A -2 16.948 8.848 -10.693 1.00 0.00 H new ATOM 0 HA SER A -2 14.401 7.626 -9.892 1.00 0.00 H new ATOM 0 HB2 SER A -2 15.789 9.331 -8.491 1.00 0.00 H new ATOM 0 HB3 SER A -2 15.234 10.535 -9.638 1.00 0.00 H new ATOM 0 HG SER A -2 13.037 9.859 -9.129 1.00 0.00 H new ATOM 48 N SER A -1 14.278 8.346 -12.614 1.00 0.00 N ATOM 49 CA SER A -1 13.592 8.748 -13.837 1.00 0.00 C ATOM 50 C SER A -1 12.288 7.974 -14.008 1.00 0.00 C ATOM 51 O SER A -1 12.283 6.745 -14.040 1.00 0.00 O ATOM 52 CB SER A -1 14.495 8.524 -15.051 1.00 0.00 C ATOM 53 OG SER A -1 15.558 9.460 -15.076 1.00 0.00 O ATOM 0 H SER A -1 14.855 7.510 -12.710 1.00 0.00 H new ATOM 0 HA SER A -1 13.357 9.809 -13.760 1.00 0.00 H new ATOM 0 HB2 SER A -1 14.898 7.512 -15.026 1.00 0.00 H new ATOM 0 HB3 SER A -1 13.908 8.611 -15.965 1.00 0.00 H new ATOM 0 HG SER A -1 16.121 9.294 -15.861 1.00 0.00 H new ATOM 59 N GLY A 0 11.183 8.706 -14.118 1.00 0.00 N ATOM 60 CA GLY A 0 9.888 8.072 -14.284 1.00 0.00 C ATOM 61 C GLY A 0 8.753 8.924 -13.751 1.00 0.00 C ATOM 62 O GLY A 0 8.224 8.658 -12.672 1.00 0.00 O ATOM 0 H GLY A 0 11.162 9.726 -14.095 1.00 0.00 H new ATOM 0 HA2 GLY A 0 9.720 7.868 -15.341 1.00 0.00 H new ATOM 0 HA3 GLY A 0 9.889 7.111 -13.770 1.00 0.00 H new ATOM 66 N MET A 1 8.380 9.951 -14.507 1.00 0.00 N ATOM 67 CA MET A 1 7.301 10.845 -14.103 1.00 0.00 C ATOM 68 C MET A 1 6.685 11.536 -15.315 1.00 0.00 C ATOM 69 O MET A 1 7.331 11.683 -16.352 1.00 0.00 O ATOM 70 CB MET A 1 7.819 11.890 -13.113 1.00 0.00 C ATOM 71 CG MET A 1 8.768 12.900 -13.738 1.00 0.00 C ATOM 72 SD MET A 1 10.436 12.249 -13.948 1.00 0.00 S ATOM 73 CE MET A 1 11.256 13.653 -14.698 1.00 0.00 C ATOM 0 H MET A 1 8.809 10.185 -15.402 1.00 0.00 H new ATOM 0 HA MET A 1 6.530 10.247 -13.618 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.971 12.420 -12.680 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.329 11.382 -12.295 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.378 13.208 -14.708 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.806 13.792 -13.113 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.300 13.405 -14.889 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.764 13.902 -15.638 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.204 14.508 -14.024 1.00 0.00 H new ATOM 83 N ASN A 2 5.432 11.958 -15.177 1.00 0.00 N ATOM 84 CA ASN A 2 4.729 12.633 -16.262 1.00 0.00 C ATOM 85 C ASN A 2 4.081 13.924 -15.770 1.00 0.00 C ATOM 86 O ASN A 2 3.754 14.056 -14.591 1.00 0.00 O ATOM 87 CB ASN A 2 3.665 11.710 -16.860 1.00 0.00 C ATOM 88 CG ASN A 2 3.312 12.083 -18.287 1.00 0.00 C ATOM 89 OD1 ASN A 2 3.808 11.479 -19.238 1.00 0.00 O ATOM 90 ND2 ASN A 2 2.452 13.083 -18.442 1.00 0.00 N ATOM 0 H ASN A 2 4.883 11.844 -14.325 1.00 0.00 H new ATOM 0 HA ASN A 2 5.457 12.884 -17.033 1.00 0.00 H new ATOM 0 HB2 ASN A 2 4.024 10.681 -16.835 1.00 0.00 H new ATOM 0 HB3 ASN A 2 2.766 11.749 -16.244 1.00 0.00 H new ATOM 0 HD21 ASN A 2 2.177 13.379 -19.379 1.00 0.00 H new ATOM 0 HD22 ASN A 2 2.066 13.555 -17.624 1.00 0.00 H new ATOM 97 N ASN A 3 3.898 14.873 -16.682 1.00 0.00 N ATOM 98 CA ASN A 3 3.289 16.153 -16.342 1.00 0.00 C ATOM 99 C ASN A 3 1.768 16.073 -16.429 1.00 0.00 C ATOM 100 O ASN A 3 1.062 16.417 -15.482 1.00 0.00 O ATOM 101 CB ASN A 3 3.807 17.252 -17.272 1.00 0.00 C ATOM 102 CG ASN A 3 3.800 18.618 -16.614 1.00 0.00 C ATOM 103 OD1 ASN A 3 2.919 19.438 -16.870 1.00 0.00 O ATOM 104 ND2 ASN A 3 4.786 18.868 -15.760 1.00 0.00 N ATOM 0 H ASN A 3 4.163 14.779 -17.663 1.00 0.00 H new ATOM 0 HA ASN A 3 3.564 16.396 -15.316 1.00 0.00 H new ATOM 0 HB2 ASN A 3 4.822 17.009 -17.587 1.00 0.00 H new ATOM 0 HB3 ASN A 3 3.192 17.282 -18.172 1.00 0.00 H new ATOM 0 HD21 ASN A 3 4.834 19.770 -15.286 1.00 0.00 H new ATOM 0 HD22 ASN A 3 5.495 18.158 -15.578 1.00 0.00 H new ATOM 111 N SER A 4 1.270 15.614 -17.574 1.00 0.00 N ATOM 112 CA SER A 4 -0.167 15.491 -17.787 1.00 0.00 C ATOM 113 C SER A 4 -0.857 14.946 -16.540 1.00 0.00 C ATOM 114 O SER A 4 -0.322 14.079 -15.850 1.00 0.00 O ATOM 115 CB SER A 4 -0.450 14.578 -18.981 1.00 0.00 C ATOM 116 OG SER A 4 -0.068 15.196 -20.198 1.00 0.00 O ATOM 0 H SER A 4 1.841 15.322 -18.367 1.00 0.00 H new ATOM 0 HA SER A 4 -0.565 16.484 -17.996 1.00 0.00 H new ATOM 0 HB2 SER A 4 0.091 13.639 -18.861 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.512 14.333 -19.012 1.00 0.00 H new ATOM 0 HG SER A 4 -0.258 14.591 -20.946 1.00 0.00 H new ATOM 122 N GLY A 5 -2.049 15.461 -16.258 1.00 0.00 N ATOM 123 CA GLY A 5 -2.794 15.015 -15.094 1.00 0.00 C ATOM 124 C GLY A 5 -2.025 15.212 -13.803 1.00 0.00 C ATOM 125 O GLY A 5 -1.194 14.383 -13.435 1.00 0.00 O ATOM 0 H GLY A 5 -2.513 16.179 -16.814 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -3.736 15.560 -15.039 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -3.042 13.960 -15.208 1.00 0.00 H new ATOM 129 N ALA A 6 -2.302 16.315 -13.114 1.00 0.00 N ATOM 130 CA ALA A 6 -1.630 16.619 -11.857 1.00 0.00 C ATOM 131 C ALA A 6 -2.505 16.249 -10.664 1.00 0.00 C ATOM 132 O ALA A 6 -2.611 17.008 -9.701 1.00 0.00 O ATOM 133 CB ALA A 6 -1.255 18.092 -11.802 1.00 0.00 C ATOM 0 H ALA A 6 -2.987 17.012 -13.406 1.00 0.00 H new ATOM 0 HA ALA A 6 -0.720 16.022 -11.806 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -0.754 18.305 -10.858 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -0.586 18.328 -12.629 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.156 18.700 -11.880 1.00 0.00 H new ATOM 139 N ASP A 7 -3.129 15.078 -10.735 1.00 0.00 N ATOM 140 CA ASP A 7 -3.995 14.607 -9.660 1.00 0.00 C ATOM 141 C ASP A 7 -3.404 13.371 -8.989 1.00 0.00 C ATOM 142 O ASP A 7 -3.407 13.258 -7.764 1.00 0.00 O ATOM 143 CB ASP A 7 -5.390 14.292 -10.201 1.00 0.00 C ATOM 144 CG ASP A 7 -6.438 14.242 -9.107 1.00 0.00 C ATOM 145 OD1 ASP A 7 -6.544 13.194 -8.434 1.00 0.00 O ATOM 146 OD2 ASP A 7 -7.151 15.250 -8.922 1.00 0.00 O ATOM 0 H ASP A 7 -3.051 14.438 -11.525 1.00 0.00 H new ATOM 0 HA ASP A 7 -4.074 15.400 -8.916 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -5.671 15.047 -10.935 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -5.367 13.335 -10.722 1.00 0.00 H new ATOM 151 N GLU A 8 -2.901 12.447 -9.801 1.00 0.00 N ATOM 152 CA GLU A 8 -2.309 11.218 -9.285 1.00 0.00 C ATOM 153 C GLU A 8 -0.799 11.368 -9.120 1.00 0.00 C ATOM 154 O GLU A 8 -0.043 10.422 -9.341 1.00 0.00 O ATOM 155 CB GLU A 8 -2.617 10.046 -10.219 1.00 0.00 C ATOM 156 CG GLU A 8 -4.078 9.961 -10.628 1.00 0.00 C ATOM 157 CD GLU A 8 -4.453 8.596 -11.172 1.00 0.00 C ATOM 158 OE1 GLU A 8 -4.020 7.584 -10.582 1.00 0.00 O ATOM 159 OE2 GLU A 8 -5.178 8.540 -12.187 1.00 0.00 O ATOM 0 H GLU A 8 -2.891 12.526 -10.818 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.746 11.018 -8.306 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -2.002 10.135 -11.115 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.331 9.116 -9.728 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.706 10.190 -9.767 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.284 10.719 -11.384 1.00 0.00 H new ATOM 166 N ILE A 9 -0.369 12.564 -8.732 1.00 0.00 N ATOM 167 CA ILE A 9 1.049 12.838 -8.537 1.00 0.00 C ATOM 168 C ILE A 9 1.572 12.162 -7.275 1.00 0.00 C ATOM 169 O ILE A 9 2.477 11.331 -7.332 1.00 0.00 O ATOM 170 CB ILE A 9 1.323 14.351 -8.446 1.00 0.00 C ATOM 171 CG1 ILE A 9 0.702 15.077 -9.642 1.00 0.00 C ATOM 172 CG2 ILE A 9 2.819 14.616 -8.378 1.00 0.00 C ATOM 173 CD1 ILE A 9 0.720 16.584 -9.510 1.00 0.00 C ATOM 0 H ILE A 9 -0.982 13.358 -8.547 1.00 0.00 H new ATOM 0 HA ILE A 9 1.570 12.434 -9.405 1.00 0.00 H new ATOM 0 HB ILE A 9 0.864 14.733 -7.534 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.238 14.793 -10.547 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -0.328 14.743 -9.764 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.996 15.690 -8.314 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.236 14.127 -7.498 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.299 14.222 -9.274 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.264 17.032 -10.393 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.159 16.878 -8.623 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.750 16.929 -9.419 1.00 0.00 H new ATOM 185 N GLY A 10 0.993 12.523 -6.133 1.00 0.00 N ATOM 186 CA GLY A 10 1.412 11.940 -4.872 1.00 0.00 C ATOM 187 C GLY A 10 0.744 10.607 -4.599 1.00 0.00 C ATOM 188 O GLY A 10 0.678 10.159 -3.454 1.00 0.00 O ATOM 0 H GLY A 10 0.241 13.209 -6.059 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.494 11.806 -4.879 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.181 12.631 -4.061 1.00 0.00 H new ATOM 192 N LYS A 11 0.244 9.970 -5.653 1.00 0.00 N ATOM 193 CA LYS A 11 -0.423 8.681 -5.523 1.00 0.00 C ATOM 194 C LYS A 11 0.502 7.544 -5.945 1.00 0.00 C ATOM 195 O LYS A 11 1.247 7.665 -6.919 1.00 0.00 O ATOM 196 CB LYS A 11 -1.698 8.655 -6.370 1.00 0.00 C ATOM 197 CG LYS A 11 -2.609 7.480 -6.062 1.00 0.00 C ATOM 198 CD LYS A 11 -3.927 7.585 -6.811 1.00 0.00 C ATOM 199 CE LYS A 11 -4.862 8.590 -6.156 1.00 0.00 C ATOM 200 NZ LYS A 11 -5.606 7.993 -5.013 1.00 0.00 N ATOM 0 H LYS A 11 0.289 10.327 -6.608 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.687 8.542 -4.475 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.249 9.582 -6.211 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.423 8.624 -7.424 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.109 6.550 -6.332 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.801 7.439 -4.990 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.738 7.881 -7.843 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.407 6.607 -6.843 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.286 9.447 -5.806 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.571 8.962 -6.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.232 8.710 -4.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.175 7.191 -5.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.931 7.661 -4.295 1.00 0.00 H new ATOM 214 N LEU A 12 0.449 6.440 -5.209 1.00 0.00 N ATOM 215 CA LEU A 12 1.282 5.280 -5.508 1.00 0.00 C ATOM 216 C LEU A 12 0.427 4.034 -5.717 1.00 0.00 C ATOM 217 O LEU A 12 -0.109 3.470 -4.763 1.00 0.00 O ATOM 218 CB LEU A 12 2.283 5.041 -4.377 1.00 0.00 C ATOM 219 CG LEU A 12 3.506 4.193 -4.730 1.00 0.00 C ATOM 220 CD1 LEU A 12 4.360 4.897 -5.772 1.00 0.00 C ATOM 221 CD2 LEU A 12 4.324 3.891 -3.483 1.00 0.00 C ATOM 0 H LEU A 12 -0.162 6.323 -4.401 1.00 0.00 H new ATOM 0 HA LEU A 12 1.826 5.483 -6.430 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.629 6.009 -4.015 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.759 4.561 -3.551 1.00 0.00 H new ATOM 0 HG LEU A 12 3.160 3.249 -5.151 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.226 4.279 -6.011 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.771 5.061 -6.674 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.697 5.856 -5.379 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.190 3.287 -3.753 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.660 4.825 -3.033 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.709 3.344 -2.768 1.00 0.00 H new ATOM 233 N PHE A 13 0.305 3.610 -6.970 1.00 0.00 N ATOM 234 CA PHE A 13 -0.485 2.430 -7.305 1.00 0.00 C ATOM 235 C PHE A 13 0.327 1.156 -7.094 1.00 0.00 C ATOM 236 O PHE A 13 1.309 0.908 -7.794 1.00 0.00 O ATOM 237 CB PHE A 13 -0.967 2.508 -8.755 1.00 0.00 C ATOM 238 CG PHE A 13 -1.167 1.163 -9.392 1.00 0.00 C ATOM 239 CD1 PHE A 13 -1.753 0.126 -8.684 1.00 0.00 C ATOM 240 CD2 PHE A 13 -0.768 0.935 -10.700 1.00 0.00 C ATOM 241 CE1 PHE A 13 -1.938 -1.113 -9.268 1.00 0.00 C ATOM 242 CE2 PHE A 13 -0.952 -0.302 -11.289 1.00 0.00 C ATOM 243 CZ PHE A 13 -1.536 -1.327 -10.572 1.00 0.00 C ATOM 0 H PHE A 13 0.743 4.065 -7.771 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.351 2.402 -6.643 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.906 3.060 -8.788 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.243 3.075 -9.340 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -2.069 0.288 -7.664 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.308 1.733 -11.265 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.396 -1.913 -8.705 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.639 -0.466 -12.310 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.678 -2.295 -11.030 1.00 0.00 H new ATOM 253 N VAL A 14 -0.091 0.349 -6.123 1.00 0.00 N ATOM 254 CA VAL A 14 0.596 -0.901 -5.819 1.00 0.00 C ATOM 255 C VAL A 14 0.053 -2.046 -6.667 1.00 0.00 C ATOM 256 O VAL A 14 -1.157 -2.191 -6.831 1.00 0.00 O ATOM 257 CB VAL A 14 0.459 -1.269 -4.330 1.00 0.00 C ATOM 258 CG1 VAL A 14 1.341 -2.461 -3.991 1.00 0.00 C ATOM 259 CG2 VAL A 14 0.802 -0.074 -3.453 1.00 0.00 C ATOM 0 H VAL A 14 -0.902 0.539 -5.534 1.00 0.00 H new ATOM 0 HA VAL A 14 1.650 -0.748 -6.052 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.577 -1.548 -4.136 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.231 -2.706 -2.935 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.043 -3.318 -4.595 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.382 -2.214 -4.200 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.700 -0.351 -2.404 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.828 0.238 -3.648 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.124 0.749 -3.678 1.00 0.00 H new ATOM 269 N GLY A 15 0.958 -2.858 -7.204 1.00 0.00 N ATOM 270 CA GLY A 15 0.551 -3.981 -8.028 1.00 0.00 C ATOM 271 C GLY A 15 1.218 -5.278 -7.612 1.00 0.00 C ATOM 272 O GLY A 15 2.386 -5.510 -7.918 1.00 0.00 O ATOM 0 H GLY A 15 1.966 -2.758 -7.083 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.531 -4.097 -7.969 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.793 -3.770 -9.070 1.00 0.00 H new ATOM 276 N GLY A 16 0.472 -6.125 -6.909 1.00 0.00 N ATOM 277 CA GLY A 16 1.016 -7.394 -6.459 1.00 0.00 C ATOM 278 C GLY A 16 0.738 -7.656 -4.993 1.00 0.00 C ATOM 279 O GLY A 16 1.472 -8.397 -4.337 1.00 0.00 O ATOM 0 H GLY A 16 -0.498 -5.956 -6.643 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.590 -8.200 -7.056 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.093 -7.405 -6.629 1.00 0.00 H new ATOM 283 N LEU A 17 -0.323 -7.048 -4.475 1.00 0.00 N ATOM 284 CA LEU A 17 -0.696 -7.218 -3.075 1.00 0.00 C ATOM 285 C LEU A 17 -1.171 -8.643 -2.807 1.00 0.00 C ATOM 286 O LEU A 17 -1.504 -9.381 -3.734 1.00 0.00 O ATOM 287 CB LEU A 17 -1.793 -6.223 -2.693 1.00 0.00 C ATOM 288 CG LEU A 17 -1.392 -4.747 -2.700 1.00 0.00 C ATOM 289 CD1 LEU A 17 -2.624 -3.859 -2.621 1.00 0.00 C ATOM 290 CD2 LEU A 17 -0.442 -4.447 -1.551 1.00 0.00 C ATOM 0 H LEU A 17 -0.941 -6.432 -5.004 1.00 0.00 H new ATOM 0 HA LEU A 17 0.187 -7.027 -2.465 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.630 -6.355 -3.379 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.154 -6.476 -1.696 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.876 -4.535 -3.636 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.319 -2.812 -2.627 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.269 -4.054 -3.478 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.168 -4.073 -1.701 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.167 -3.392 -1.572 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.932 -4.676 -0.605 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.455 -5.058 -1.652 1.00 0.00 H new ATOM 302 N ASP A 18 -1.200 -9.022 -1.534 1.00 0.00 N ATOM 303 CA ASP A 18 -1.638 -10.357 -1.144 1.00 0.00 C ATOM 304 C ASP A 18 -2.922 -10.290 -0.322 1.00 0.00 C ATOM 305 O ASP A 18 -3.079 -9.416 0.530 1.00 0.00 O ATOM 306 CB ASP A 18 -0.542 -11.062 -0.344 1.00 0.00 C ATOM 307 CG ASP A 18 -0.765 -12.559 -0.251 1.00 0.00 C ATOM 308 OD1 ASP A 18 -1.383 -13.126 -1.176 1.00 0.00 O ATOM 309 OD2 ASP A 18 -0.321 -13.164 0.747 1.00 0.00 O ATOM 0 H ASP A 18 -0.925 -8.424 -0.755 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.839 -10.926 -2.052 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.425 -10.870 -0.810 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.501 -10.641 0.660 1.00 0.00 H new ATOM 314 N TRP A 19 -3.835 -11.217 -0.586 1.00 0.00 N ATOM 315 CA TRP A 19 -5.106 -11.262 0.129 1.00 0.00 C ATOM 316 C TRP A 19 -4.908 -10.966 1.611 1.00 0.00 C ATOM 317 O TRP A 19 -5.784 -10.398 2.263 1.00 0.00 O ATOM 318 CB TRP A 19 -5.766 -12.631 -0.047 1.00 0.00 C ATOM 319 CG TRP A 19 -4.849 -13.776 0.261 1.00 0.00 C ATOM 320 CD1 TRP A 19 -3.997 -14.400 -0.605 1.00 0.00 C ATOM 321 CD2 TRP A 19 -4.694 -14.433 1.524 1.00 0.00 C ATOM 322 NE1 TRP A 19 -3.322 -15.406 0.043 1.00 0.00 N ATOM 323 CE2 TRP A 19 -3.731 -15.447 1.350 1.00 0.00 C ATOM 324 CE3 TRP A 19 -5.273 -14.264 2.784 1.00 0.00 C ATOM 325 CZ2 TRP A 19 -3.338 -16.285 2.389 1.00 0.00 C ATOM 326 CZ3 TRP A 19 -4.882 -15.097 3.814 1.00 0.00 C ATOM 327 CH2 TRP A 19 -3.922 -16.097 3.613 1.00 0.00 C ATOM 0 H TRP A 19 -3.720 -11.947 -1.289 1.00 0.00 H new ATOM 0 HA TRP A 19 -5.758 -10.496 -0.291 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -6.641 -12.691 0.601 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -6.122 -12.726 -1.073 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -3.872 -14.141 -1.646 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -2.629 -16.023 -0.380 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -6.013 -13.495 2.950 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -2.598 -17.057 2.235 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -5.324 -14.975 4.792 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -3.637 -16.732 4.439 1.00 0.00 H new ATOM 338 N SER A 20 -3.751 -11.356 2.139 1.00 0.00 N ATOM 339 CA SER A 20 -3.440 -11.135 3.546 1.00 0.00 C ATOM 340 C SER A 20 -3.162 -9.660 3.816 1.00 0.00 C ATOM 341 O SER A 20 -3.726 -9.067 4.737 1.00 0.00 O ATOM 342 CB SER A 20 -2.233 -11.978 3.961 1.00 0.00 C ATOM 343 OG SER A 20 -2.635 -13.263 4.403 1.00 0.00 O ATOM 0 H SER A 20 -3.014 -11.826 1.613 1.00 0.00 H new ATOM 0 HA SER A 20 -4.305 -11.437 4.136 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.548 -12.078 3.119 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.688 -11.471 4.757 1.00 0.00 H new ATOM 0 HG SER A 20 -3.360 -13.593 3.832 1.00 0.00 H new ATOM 349 N THR A 21 -2.287 -9.071 3.007 1.00 0.00 N ATOM 350 CA THR A 21 -1.931 -7.666 3.157 1.00 0.00 C ATOM 351 C THR A 21 -3.128 -6.842 3.620 1.00 0.00 C ATOM 352 O THR A 21 -4.257 -7.066 3.180 1.00 0.00 O ATOM 353 CB THR A 21 -1.397 -7.077 1.838 1.00 0.00 C ATOM 354 OG1 THR A 21 -0.328 -7.888 1.337 1.00 0.00 O ATOM 355 CG2 THR A 21 -0.905 -5.652 2.042 1.00 0.00 C ATOM 0 H THR A 21 -1.811 -9.546 2.240 1.00 0.00 H new ATOM 0 HA THR A 21 -1.146 -7.618 3.912 1.00 0.00 H new ATOM 0 HB THR A 21 -2.213 -7.064 1.115 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.208 -7.368 0.703 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.533 -5.257 1.097 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.727 -5.030 2.396 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.102 -5.646 2.779 1.00 0.00 H new ATOM 363 N THR A 22 -2.876 -5.888 4.510 1.00 0.00 N ATOM 364 CA THR A 22 -3.933 -5.031 5.033 1.00 0.00 C ATOM 365 C THR A 22 -3.576 -3.558 4.871 1.00 0.00 C ATOM 366 O THR A 22 -2.406 -3.206 4.724 1.00 0.00 O ATOM 367 CB THR A 22 -4.207 -5.321 6.520 1.00 0.00 C ATOM 368 OG1 THR A 22 -2.977 -5.327 7.253 1.00 0.00 O ATOM 369 CG2 THR A 22 -4.910 -6.659 6.690 1.00 0.00 C ATOM 0 H THR A 22 -1.948 -5.689 4.884 1.00 0.00 H new ATOM 0 HA THR A 22 -4.832 -5.250 4.457 1.00 0.00 H new ATOM 0 HB THR A 22 -4.856 -4.535 6.906 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.160 -5.510 8.198 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.093 -6.842 7.749 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.860 -6.642 6.155 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.282 -7.454 6.288 1.00 0.00 H new ATOM 377 N GLN A 23 -4.592 -2.701 4.900 1.00 0.00 N ATOM 378 CA GLN A 23 -4.384 -1.265 4.757 1.00 0.00 C ATOM 379 C GLN A 23 -3.524 -0.724 5.894 1.00 0.00 C ATOM 380 O GLN A 23 -2.652 0.117 5.678 1.00 0.00 O ATOM 381 CB GLN A 23 -5.728 -0.535 4.726 1.00 0.00 C ATOM 382 CG GLN A 23 -6.366 -0.494 3.347 1.00 0.00 C ATOM 383 CD GLN A 23 -7.839 -0.136 3.395 1.00 0.00 C ATOM 384 OE1 GLN A 23 -8.288 0.571 4.297 1.00 0.00 O ATOM 385 NE2 GLN A 23 -8.599 -0.625 2.423 1.00 0.00 N ATOM 0 H GLN A 23 -5.567 -2.976 5.021 1.00 0.00 H new ATOM 0 HA GLN A 23 -3.862 -1.090 3.816 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.413 -1.022 5.420 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -5.586 0.485 5.082 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.839 0.233 2.729 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -6.248 -1.466 2.867 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -8.184 -1.207 1.695 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -9.598 -0.419 2.404 1.00 0.00 H new ATOM 394 N GLU A 24 -3.777 -1.211 7.105 1.00 0.00 N ATOM 395 CA GLU A 24 -3.025 -0.774 8.275 1.00 0.00 C ATOM 396 C GLU A 24 -1.527 -0.975 8.066 1.00 0.00 C ATOM 397 O GLU A 24 -0.759 -0.013 8.024 1.00 0.00 O ATOM 398 CB GLU A 24 -3.485 -1.538 9.519 1.00 0.00 C ATOM 399 CG GLU A 24 -4.644 -0.877 10.245 1.00 0.00 C ATOM 400 CD GLU A 24 -5.971 -1.089 9.541 1.00 0.00 C ATOM 401 OE1 GLU A 24 -6.580 -2.162 9.733 1.00 0.00 O ATOM 402 OE2 GLU A 24 -6.399 -0.181 8.799 1.00 0.00 O ATOM 0 H GLU A 24 -4.496 -1.907 7.301 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.214 0.290 8.420 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.778 -2.547 9.228 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.645 -1.636 10.206 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.707 -1.274 11.258 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -4.450 0.192 10.333 1.00 0.00 H new ATOM 409 N THR A 25 -1.117 -2.233 7.936 1.00 0.00 N ATOM 410 CA THR A 25 0.288 -2.561 7.734 1.00 0.00 C ATOM 411 C THR A 25 0.839 -1.877 6.488 1.00 0.00 C ATOM 412 O THR A 25 1.969 -1.386 6.485 1.00 0.00 O ATOM 413 CB THR A 25 0.496 -4.082 7.604 1.00 0.00 C ATOM 414 OG1 THR A 25 -0.019 -4.748 8.763 1.00 0.00 O ATOM 415 CG2 THR A 25 1.971 -4.414 7.436 1.00 0.00 C ATOM 0 H THR A 25 -1.739 -3.041 7.967 1.00 0.00 H new ATOM 0 HA THR A 25 0.826 -2.201 8.611 1.00 0.00 H new ATOM 0 HB THR A 25 -0.041 -4.425 6.720 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.116 -5.714 8.672 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.093 -5.493 7.346 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.353 -3.930 6.537 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.525 -4.057 8.304 1.00 0.00 H new ATOM 423 N LEU A 26 0.035 -1.846 5.431 1.00 0.00 N ATOM 424 CA LEU A 26 0.442 -1.220 4.178 1.00 0.00 C ATOM 425 C LEU A 26 0.841 0.236 4.401 1.00 0.00 C ATOM 426 O LEU A 26 1.828 0.712 3.840 1.00 0.00 O ATOM 427 CB LEU A 26 -0.691 -1.299 3.154 1.00 0.00 C ATOM 428 CG LEU A 26 -0.329 -0.908 1.721 1.00 0.00 C ATOM 429 CD1 LEU A 26 0.750 -1.828 1.172 1.00 0.00 C ATOM 430 CD2 LEU A 26 -1.563 -0.940 0.831 1.00 0.00 C ATOM 0 H LEU A 26 -0.903 -2.247 5.417 1.00 0.00 H new ATOM 0 HA LEU A 26 1.308 -1.760 3.795 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.075 -2.319 3.145 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.504 -0.655 3.491 1.00 0.00 H new ATOM 0 HG LEU A 26 0.061 0.110 1.731 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.994 -1.534 0.151 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.642 -1.754 1.794 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.388 -2.856 1.177 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.286 -0.659 -0.185 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.983 -1.946 0.828 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.305 -0.238 1.212 1.00 0.00 H new ATOM 442 N ARG A 27 0.068 0.936 5.225 1.00 0.00 N ATOM 443 CA ARG A 27 0.341 2.337 5.523 1.00 0.00 C ATOM 444 C ARG A 27 1.753 2.510 6.074 1.00 0.00 C ATOM 445 O ARG A 27 2.512 3.360 5.609 1.00 0.00 O ATOM 446 CB ARG A 27 -0.680 2.875 6.527 1.00 0.00 C ATOM 447 CG ARG A 27 -2.073 3.048 5.946 1.00 0.00 C ATOM 448 CD ARG A 27 -3.139 2.999 7.030 1.00 0.00 C ATOM 449 NE ARG A 27 -3.278 4.279 7.719 1.00 0.00 N ATOM 450 CZ ARG A 27 -3.863 4.415 8.904 1.00 0.00 C ATOM 451 NH1 ARG A 27 -4.360 3.356 9.528 1.00 0.00 N ATOM 452 NH2 ARG A 27 -3.951 5.614 9.467 1.00 0.00 N ATOM 0 H ARG A 27 -0.752 0.556 5.698 1.00 0.00 H new ATOM 0 HA ARG A 27 0.260 2.903 4.595 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.732 2.196 7.378 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.332 3.836 6.907 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.133 4.000 5.418 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.262 2.264 5.212 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.095 2.721 6.586 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -2.885 2.224 7.753 1.00 0.00 H new ATOM 0 HE ARG A 27 -2.906 5.114 7.266 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.294 2.433 9.098 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -4.808 3.464 10.438 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -3.569 6.431 8.990 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -4.400 5.718 10.377 1.00 0.00 H new ATOM 466 N SER A 28 2.099 1.698 7.068 1.00 0.00 N ATOM 467 CA SER A 28 3.418 1.764 7.686 1.00 0.00 C ATOM 468 C SER A 28 4.507 1.396 6.682 1.00 0.00 C ATOM 469 O SER A 28 5.408 2.189 6.408 1.00 0.00 O ATOM 470 CB SER A 28 3.486 0.829 8.895 1.00 0.00 C ATOM 471 OG SER A 28 2.967 1.457 10.054 1.00 0.00 O ATOM 0 H SER A 28 1.484 0.986 7.463 1.00 0.00 H new ATOM 0 HA SER A 28 3.585 2.788 8.019 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.923 -0.081 8.687 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.520 0.531 9.071 1.00 0.00 H new ATOM 0 HG SER A 28 3.020 0.839 10.813 1.00 0.00 H new ATOM 477 N TYR A 29 4.416 0.188 6.138 1.00 0.00 N ATOM 478 CA TYR A 29 5.394 -0.288 5.166 1.00 0.00 C ATOM 479 C TYR A 29 5.821 0.837 4.227 1.00 0.00 C ATOM 480 O TYR A 29 6.999 0.972 3.896 1.00 0.00 O ATOM 481 CB TYR A 29 4.817 -1.450 4.357 1.00 0.00 C ATOM 482 CG TYR A 29 5.816 -2.091 3.420 1.00 0.00 C ATOM 483 CD1 TYR A 29 6.757 -2.998 3.890 1.00 0.00 C ATOM 484 CD2 TYR A 29 5.817 -1.789 2.064 1.00 0.00 C ATOM 485 CE1 TYR A 29 7.671 -3.585 3.037 1.00 0.00 C ATOM 486 CE2 TYR A 29 6.727 -2.372 1.203 1.00 0.00 C ATOM 487 CZ TYR A 29 7.652 -3.269 1.695 1.00 0.00 C ATOM 488 OH TYR A 29 8.561 -3.852 0.842 1.00 0.00 O ATOM 0 H TYR A 29 3.676 -0.480 6.353 1.00 0.00 H new ATOM 0 HA TYR A 29 6.271 -0.635 5.712 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.438 -2.207 5.044 1.00 0.00 H new ATOM 0 HB3 TYR A 29 3.966 -1.091 3.777 1.00 0.00 H new ATOM 0 HD1 TYR A 29 6.774 -3.249 4.940 1.00 0.00 H new ATOM 0 HD2 TYR A 29 5.094 -1.087 1.676 1.00 0.00 H new ATOM 0 HE1 TYR A 29 8.397 -4.288 3.419 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.714 -2.127 0.151 1.00 0.00 H new ATOM 0 HH TYR A 29 8.750 -4.766 1.140 1.00 0.00 H new ATOM 498 N PHE A 30 4.854 1.643 3.802 1.00 0.00 N ATOM 499 CA PHE A 30 5.127 2.757 2.902 1.00 0.00 C ATOM 500 C PHE A 30 5.492 4.014 3.686 1.00 0.00 C ATOM 501 O PHE A 30 6.301 4.825 3.237 1.00 0.00 O ATOM 502 CB PHE A 30 3.913 3.031 2.012 1.00 0.00 C ATOM 503 CG PHE A 30 3.890 2.204 0.758 1.00 0.00 C ATOM 504 CD1 PHE A 30 4.898 2.323 -0.184 1.00 0.00 C ATOM 505 CD2 PHE A 30 2.859 1.309 0.521 1.00 0.00 C ATOM 506 CE1 PHE A 30 4.880 1.564 -1.339 1.00 0.00 C ATOM 507 CE2 PHE A 30 2.835 0.547 -0.631 1.00 0.00 C ATOM 508 CZ PHE A 30 3.846 0.675 -1.563 1.00 0.00 C ATOM 0 H PHE A 30 3.874 1.545 4.067 1.00 0.00 H new ATOM 0 HA PHE A 30 5.975 2.484 2.274 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.004 2.838 2.582 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.902 4.087 1.742 1.00 0.00 H new ATOM 0 HD1 PHE A 30 5.708 3.017 -0.014 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.065 1.206 1.246 1.00 0.00 H new ATOM 0 HE1 PHE A 30 5.673 1.666 -2.065 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.026 -0.148 -0.803 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.829 0.082 -2.465 1.00 0.00 H new ATOM 518 N SER A 31 4.887 4.168 4.859 1.00 0.00 N ATOM 519 CA SER A 31 5.144 5.328 5.705 1.00 0.00 C ATOM 520 C SER A 31 6.642 5.551 5.881 1.00 0.00 C ATOM 521 O SER A 31 7.132 6.673 5.755 1.00 0.00 O ATOM 522 CB SER A 31 4.479 5.147 7.071 1.00 0.00 C ATOM 523 OG SER A 31 4.757 6.245 7.923 1.00 0.00 O ATOM 0 H SER A 31 4.216 3.504 5.245 1.00 0.00 H new ATOM 0 HA SER A 31 4.719 6.205 5.216 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.401 5.045 6.944 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.834 4.226 7.533 1.00 0.00 H new ATOM 0 HG SER A 31 4.320 6.106 8.789 1.00 0.00 H new ATOM 529 N GLN A 32 7.364 4.474 6.174 1.00 0.00 N ATOM 530 CA GLN A 32 8.807 4.551 6.368 1.00 0.00 C ATOM 531 C GLN A 32 9.469 5.322 5.231 1.00 0.00 C ATOM 532 O GLN A 32 10.533 5.916 5.407 1.00 0.00 O ATOM 533 CB GLN A 32 9.406 3.147 6.464 1.00 0.00 C ATOM 534 CG GLN A 32 8.791 2.155 5.490 1.00 0.00 C ATOM 535 CD GLN A 32 9.743 1.035 5.119 1.00 0.00 C ATOM 536 OE1 GLN A 32 10.935 1.262 4.906 1.00 0.00 O ATOM 537 NE2 GLN A 32 9.221 -0.184 5.039 1.00 0.00 N ATOM 0 H GLN A 32 6.973 3.538 6.282 1.00 0.00 H new ATOM 0 HA GLN A 32 8.994 5.083 7.301 1.00 0.00 H new ATOM 0 HB2 GLN A 32 10.479 3.206 6.281 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.276 2.774 7.480 1.00 0.00 H new ATOM 0 HG2 GLN A 32 7.890 1.729 5.931 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.485 2.681 4.586 1.00 0.00 H new ATOM 0 HE21 GLN A 32 8.228 -0.327 5.224 1.00 0.00 H new ATOM 0 HE22 GLN A 32 9.813 -0.977 4.793 1.00 0.00 H new ATOM 546 N TYR A 33 8.833 5.309 4.065 1.00 0.00 N ATOM 547 CA TYR A 33 9.362 6.005 2.898 1.00 0.00 C ATOM 548 C TYR A 33 8.783 7.413 2.795 1.00 0.00 C ATOM 549 O TYR A 33 9.519 8.390 2.664 1.00 0.00 O ATOM 550 CB TYR A 33 9.049 5.218 1.624 1.00 0.00 C ATOM 551 CG TYR A 33 9.713 3.861 1.572 1.00 0.00 C ATOM 552 CD1 TYR A 33 10.988 3.709 1.043 1.00 0.00 C ATOM 553 CD2 TYR A 33 9.064 2.730 2.053 1.00 0.00 C ATOM 554 CE1 TYR A 33 11.598 2.470 0.993 1.00 0.00 C ATOM 555 CE2 TYR A 33 9.667 1.487 2.008 1.00 0.00 C ATOM 556 CZ TYR A 33 10.933 1.363 1.477 1.00 0.00 C ATOM 557 OH TYR A 33 11.538 0.127 1.430 1.00 0.00 O ATOM 0 H TYR A 33 7.950 4.824 3.903 1.00 0.00 H new ATOM 0 HA TYR A 33 10.443 6.084 3.012 1.00 0.00 H new ATOM 0 HB2 TYR A 33 7.970 5.088 1.543 1.00 0.00 H new ATOM 0 HB3 TYR A 33 9.366 5.801 0.760 1.00 0.00 H new ATOM 0 HD1 TYR A 33 11.512 4.574 0.664 1.00 0.00 H new ATOM 0 HD2 TYR A 33 8.072 2.824 2.469 1.00 0.00 H new ATOM 0 HE1 TYR A 33 12.590 2.369 0.577 1.00 0.00 H new ATOM 0 HE2 TYR A 33 9.149 0.618 2.387 1.00 0.00 H new ATOM 0 HH TYR A 33 10.937 -0.546 1.811 1.00 0.00 H new ATOM 567 N GLY A 34 7.458 7.507 2.856 1.00 0.00 N ATOM 568 CA GLY A 34 6.802 8.798 2.769 1.00 0.00 C ATOM 569 C GLY A 34 5.582 8.890 3.664 1.00 0.00 C ATOM 570 O GLY A 34 4.858 7.911 3.839 1.00 0.00 O ATOM 0 H GLY A 34 6.828 6.712 2.964 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.509 9.581 3.043 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.506 8.983 1.736 1.00 0.00 H new ATOM 574 N GLU A 35 5.355 10.070 4.233 1.00 0.00 N ATOM 575 CA GLU A 35 4.215 10.284 5.116 1.00 0.00 C ATOM 576 C GLU A 35 2.917 9.843 4.447 1.00 0.00 C ATOM 577 O GLU A 35 2.359 10.560 3.616 1.00 0.00 O ATOM 578 CB GLU A 35 4.121 11.759 5.515 1.00 0.00 C ATOM 579 CG GLU A 35 2.776 12.144 6.107 1.00 0.00 C ATOM 580 CD GLU A 35 2.883 13.275 7.112 1.00 0.00 C ATOM 581 OE1 GLU A 35 4.014 13.578 7.546 1.00 0.00 O ATOM 582 OE2 GLU A 35 1.835 13.856 7.464 1.00 0.00 O ATOM 0 H GLU A 35 5.945 10.891 4.098 1.00 0.00 H new ATOM 0 HA GLU A 35 4.364 9.681 6.012 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.905 11.982 6.239 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.313 12.377 4.638 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.101 12.439 5.304 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.334 11.273 6.591 1.00 0.00 H new ATOM 589 N VAL A 36 2.442 8.657 4.815 1.00 0.00 N ATOM 590 CA VAL A 36 1.209 8.120 4.251 1.00 0.00 C ATOM 591 C VAL A 36 0.005 8.958 4.663 1.00 0.00 C ATOM 592 O VAL A 36 -0.261 9.141 5.851 1.00 0.00 O ATOM 593 CB VAL A 36 0.980 6.661 4.691 1.00 0.00 C ATOM 594 CG1 VAL A 36 -0.386 6.174 4.235 1.00 0.00 C ATOM 595 CG2 VAL A 36 2.083 5.763 4.151 1.00 0.00 C ATOM 0 H VAL A 36 2.892 8.050 5.501 1.00 0.00 H new ATOM 0 HA VAL A 36 1.316 8.153 3.167 1.00 0.00 H new ATOM 0 HB VAL A 36 1.009 6.619 5.780 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.530 5.142 4.555 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.161 6.801 4.675 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.448 6.229 3.148 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.906 4.736 4.471 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.088 5.808 3.062 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.047 6.101 4.532 1.00 0.00 H new ATOM 605 N VAL A 37 -0.723 9.466 3.673 1.00 0.00 N ATOM 606 CA VAL A 37 -1.901 10.284 3.932 1.00 0.00 C ATOM 607 C VAL A 37 -3.174 9.447 3.882 1.00 0.00 C ATOM 608 O VAL A 37 -4.079 9.624 4.697 1.00 0.00 O ATOM 609 CB VAL A 37 -2.018 11.437 2.917 1.00 0.00 C ATOM 610 CG1 VAL A 37 -2.911 12.541 3.462 1.00 0.00 C ATOM 611 CG2 VAL A 37 -0.641 11.979 2.566 1.00 0.00 C ATOM 0 H VAL A 37 -0.517 9.325 2.684 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.783 10.700 4.932 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.475 11.050 2.006 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.981 13.346 2.731 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.906 12.141 3.658 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.487 12.928 4.388 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.742 12.793 1.848 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.155 12.350 3.468 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.037 11.183 2.130 1.00 0.00 H new ATOM 621 N ASP A 38 -3.237 8.533 2.919 1.00 0.00 N ATOM 622 CA ASP A 38 -4.398 7.666 2.763 1.00 0.00 C ATOM 623 C ASP A 38 -4.019 6.374 2.045 1.00 0.00 C ATOM 624 O ASP A 38 -3.484 6.402 0.936 1.00 0.00 O ATOM 625 CB ASP A 38 -5.501 8.389 1.989 1.00 0.00 C ATOM 626 CG ASP A 38 -6.888 7.917 2.379 1.00 0.00 C ATOM 627 OD1 ASP A 38 -7.186 7.889 3.591 1.00 0.00 O ATOM 628 OD2 ASP A 38 -7.675 7.573 1.471 1.00 0.00 O ATOM 0 H ASP A 38 -2.497 8.374 2.235 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.768 7.413 3.757 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.422 9.462 2.167 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.354 8.231 0.921 1.00 0.00 H new ATOM 633 N CYS A 39 -4.299 5.244 2.685 1.00 0.00 N ATOM 634 CA CYS A 39 -3.986 3.941 2.109 1.00 0.00 C ATOM 635 C CYS A 39 -5.260 3.184 1.750 1.00 0.00 C ATOM 636 O CYS A 39 -6.170 3.056 2.570 1.00 0.00 O ATOM 637 CB CYS A 39 -3.146 3.117 3.085 1.00 0.00 C ATOM 638 SG CYS A 39 -2.854 1.414 2.553 1.00 0.00 S ATOM 0 H CYS A 39 -4.742 5.204 3.603 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.413 4.104 1.196 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -2.185 3.611 3.228 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.644 3.103 4.054 1.00 0.00 H new ATOM 0 HG CYS A 39 -3.938 0.935 2.018 1.00 0.00 H new ATOM 644 N VAL A 40 -5.320 2.686 0.519 1.00 0.00 N ATOM 645 CA VAL A 40 -6.484 1.942 0.052 1.00 0.00 C ATOM 646 C VAL A 40 -6.081 0.577 -0.494 1.00 0.00 C ATOM 647 O VAL A 40 -5.025 0.431 -1.111 1.00 0.00 O ATOM 648 CB VAL A 40 -7.242 2.717 -1.043 1.00 0.00 C ATOM 649 CG1 VAL A 40 -8.488 1.955 -1.470 1.00 0.00 C ATOM 650 CG2 VAL A 40 -7.602 4.112 -0.556 1.00 0.00 C ATOM 0 H VAL A 40 -4.577 2.784 -0.173 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.140 1.807 0.912 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.590 2.817 -1.911 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.011 2.517 -2.244 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -8.201 0.979 -1.862 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -9.146 1.822 -0.611 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -8.137 4.645 -1.342 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -8.236 4.037 0.327 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.691 4.656 -0.304 1.00 0.00 H new ATOM 660 N ILE A 41 -6.928 -0.420 -0.263 1.00 0.00 N ATOM 661 CA ILE A 41 -6.661 -1.774 -0.732 1.00 0.00 C ATOM 662 C ILE A 41 -7.888 -2.373 -1.411 1.00 0.00 C ATOM 663 O ILE A 41 -8.846 -2.767 -0.747 1.00 0.00 O ATOM 664 CB ILE A 41 -6.225 -2.695 0.423 1.00 0.00 C ATOM 665 CG1 ILE A 41 -4.846 -2.282 0.941 1.00 0.00 C ATOM 666 CG2 ILE A 41 -6.213 -4.146 -0.033 1.00 0.00 C ATOM 667 CD1 ILE A 41 -4.276 -3.236 1.967 1.00 0.00 C ATOM 0 H ILE A 41 -7.806 -0.316 0.246 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.848 -1.703 -1.455 1.00 0.00 H new ATOM 0 HB ILE A 41 -6.942 -2.596 1.238 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.157 -2.212 0.100 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.915 -1.287 1.381 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.903 -4.785 0.794 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.213 -4.433 -0.358 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.515 -4.261 -0.862 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.297 -2.881 2.290 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.945 -3.288 2.826 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.175 -4.227 1.525 1.00 0.00 H new ATOM 679 N MET A 42 -7.850 -2.440 -2.738 1.00 0.00 N ATOM 680 CA MET A 42 -8.959 -2.994 -3.506 1.00 0.00 C ATOM 681 C MET A 42 -9.262 -4.424 -3.069 1.00 0.00 C ATOM 682 O MET A 42 -8.356 -5.243 -2.918 1.00 0.00 O ATOM 683 CB MET A 42 -8.637 -2.963 -5.001 1.00 0.00 C ATOM 684 CG MET A 42 -8.419 -1.561 -5.547 1.00 0.00 C ATOM 685 SD MET A 42 -9.962 -0.659 -5.780 1.00 0.00 S ATOM 686 CE MET A 42 -10.000 0.338 -4.293 1.00 0.00 C ATOM 0 H MET A 42 -7.064 -2.118 -3.303 1.00 0.00 H new ATOM 0 HA MET A 42 -9.841 -2.381 -3.318 1.00 0.00 H new ATOM 0 HB2 MET A 42 -7.743 -3.558 -5.184 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.452 -3.435 -5.550 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.777 -1.005 -4.864 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.892 -1.624 -6.499 1.00 0.00 H new ATOM 0 HE1 MET A 42 -11.024 0.406 -3.927 1.00 0.00 H new ATOM 0 HE2 MET A 42 -9.372 -0.122 -3.530 1.00 0.00 H new ATOM 0 HE3 MET A 42 -9.627 1.338 -4.516 1.00 0.00 H new ATOM 696 N LYS A 43 -10.542 -4.717 -2.867 1.00 0.00 N ATOM 697 CA LYS A 43 -10.966 -6.048 -2.448 1.00 0.00 C ATOM 698 C LYS A 43 -12.017 -6.609 -3.400 1.00 0.00 C ATOM 699 O LYS A 43 -12.578 -5.881 -4.220 1.00 0.00 O ATOM 700 CB LYS A 43 -11.523 -6.003 -1.024 1.00 0.00 C ATOM 701 CG LYS A 43 -10.474 -6.239 0.048 1.00 0.00 C ATOM 702 CD LYS A 43 -10.820 -5.512 1.337 1.00 0.00 C ATOM 703 CE LYS A 43 -10.228 -4.110 1.363 1.00 0.00 C ATOM 704 NZ LYS A 43 -11.067 -3.141 0.604 1.00 0.00 N ATOM 0 H LYS A 43 -11.305 -4.050 -2.987 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.095 -6.704 -2.470 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.990 -5.032 -0.856 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -12.306 -6.755 -0.925 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.387 -7.308 0.244 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -9.502 -5.901 -0.312 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.903 -5.453 1.443 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.447 -6.081 2.188 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.131 -3.776 2.396 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.224 -4.131 0.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.585 -2.883 -0.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.986 -3.576 0.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.217 -2.287 1.178 1.00 0.00 H new ATOM 718 N ASP A 44 -12.281 -7.906 -3.285 1.00 0.00 N ATOM 719 CA ASP A 44 -13.268 -8.563 -4.134 1.00 0.00 C ATOM 720 C ASP A 44 -14.664 -8.003 -3.879 1.00 0.00 C ATOM 721 O ASP A 44 -14.916 -7.382 -2.846 1.00 0.00 O ATOM 722 CB ASP A 44 -13.258 -10.073 -3.888 1.00 0.00 C ATOM 723 CG ASP A 44 -14.258 -10.808 -4.759 1.00 0.00 C ATOM 724 OD1 ASP A 44 -14.304 -10.528 -5.975 1.00 0.00 O ATOM 725 OD2 ASP A 44 -14.995 -11.663 -4.224 1.00 0.00 O ATOM 0 H ASP A 44 -11.825 -8.523 -2.612 1.00 0.00 H new ATOM 0 HA ASP A 44 -13.003 -8.370 -5.174 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -12.258 -10.463 -4.079 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -13.481 -10.269 -2.839 1.00 0.00 H new ATOM 730 N LYS A 45 -15.567 -8.225 -4.828 1.00 0.00 N ATOM 731 CA LYS A 45 -16.938 -7.743 -4.707 1.00 0.00 C ATOM 732 C LYS A 45 -17.735 -8.608 -3.736 1.00 0.00 C ATOM 733 O LYS A 45 -18.749 -8.172 -3.188 1.00 0.00 O ATOM 734 CB LYS A 45 -17.620 -7.736 -6.078 1.00 0.00 C ATOM 735 CG LYS A 45 -17.456 -9.037 -6.845 1.00 0.00 C ATOM 736 CD LYS A 45 -18.524 -9.191 -7.915 1.00 0.00 C ATOM 737 CE LYS A 45 -18.719 -10.649 -8.302 1.00 0.00 C ATOM 738 NZ LYS A 45 -17.628 -11.137 -9.190 1.00 0.00 N ATOM 0 H LYS A 45 -15.374 -8.736 -5.690 1.00 0.00 H new ATOM 0 HA LYS A 45 -16.906 -6.725 -4.318 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -18.683 -7.534 -5.945 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -17.212 -6.919 -6.673 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -16.469 -9.066 -7.307 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -17.509 -9.878 -6.153 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -19.466 -8.781 -7.552 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -18.244 -8.614 -8.796 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -18.756 -11.262 -7.402 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -19.678 -10.766 -8.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -17.797 -12.134 -9.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -17.609 -10.568 -10.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -16.715 -11.049 -8.699 1.00 0.00 H new ATOM 752 N THR A 46 -17.270 -9.835 -3.524 1.00 0.00 N ATOM 753 CA THR A 46 -17.940 -10.760 -2.618 1.00 0.00 C ATOM 754 C THR A 46 -17.024 -11.162 -1.468 1.00 0.00 C ATOM 755 O THR A 46 -17.232 -10.758 -0.323 1.00 0.00 O ATOM 756 CB THR A 46 -18.407 -12.029 -3.355 1.00 0.00 C ATOM 757 OG1 THR A 46 -19.450 -11.702 -4.281 1.00 0.00 O ATOM 758 CG2 THR A 46 -18.906 -13.075 -2.370 1.00 0.00 C ATOM 0 H THR A 46 -16.432 -10.211 -3.967 1.00 0.00 H new ATOM 0 HA THR A 46 -18.811 -10.239 -2.221 1.00 0.00 H new ATOM 0 HB THR A 46 -17.556 -12.441 -3.897 1.00 0.00 H new ATOM 0 HG1 THR A 46 -19.740 -12.514 -4.747 1.00 0.00 H new ATOM 0 HG21 THR A 46 -19.230 -13.962 -2.914 1.00 0.00 H new ATOM 0 HG22 THR A 46 -18.101 -13.343 -1.686 1.00 0.00 H new ATOM 0 HG23 THR A 46 -19.745 -12.670 -1.803 1.00 0.00 H new ATOM 766 N THR A 47 -16.007 -11.962 -1.778 1.00 0.00 N ATOM 767 CA THR A 47 -15.060 -12.419 -0.770 1.00 0.00 C ATOM 768 C THR A 47 -14.477 -11.246 0.010 1.00 0.00 C ATOM 769 O THR A 47 -14.019 -11.407 1.140 1.00 0.00 O ATOM 770 CB THR A 47 -13.908 -13.221 -1.405 1.00 0.00 C ATOM 771 OG1 THR A 47 -14.431 -14.185 -2.325 1.00 0.00 O ATOM 772 CG2 THR A 47 -13.086 -13.926 -0.337 1.00 0.00 C ATOM 0 H THR A 47 -15.819 -12.306 -2.720 1.00 0.00 H new ATOM 0 HA THR A 47 -15.612 -13.066 -0.088 1.00 0.00 H new ATOM 0 HB THR A 47 -13.261 -12.524 -1.938 1.00 0.00 H new ATOM 0 HG1 THR A 47 -13.692 -14.689 -2.725 1.00 0.00 H new ATOM 0 HG21 THR A 47 -12.279 -14.486 -0.810 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.665 -13.187 0.345 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.725 -14.611 0.220 1.00 0.00 H new ATOM 780 N ASN A 48 -14.499 -10.066 -0.601 1.00 0.00 N ATOM 781 CA ASN A 48 -13.973 -8.865 0.037 1.00 0.00 C ATOM 782 C ASN A 48 -12.533 -9.078 0.494 1.00 0.00 C ATOM 783 O ASN A 48 -12.137 -8.617 1.564 1.00 0.00 O ATOM 784 CB ASN A 48 -14.846 -8.473 1.231 1.00 0.00 C ATOM 785 CG ASN A 48 -16.028 -7.613 0.826 1.00 0.00 C ATOM 786 OD1 ASN A 48 -17.182 -7.983 1.044 1.00 0.00 O ATOM 787 ND2 ASN A 48 -15.745 -6.460 0.231 1.00 0.00 N ATOM 0 H ASN A 48 -14.875 -9.916 -1.537 1.00 0.00 H new ATOM 0 HA ASN A 48 -13.987 -8.058 -0.696 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -15.209 -9.375 1.724 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -14.240 -7.933 1.959 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -16.499 -5.841 -0.066 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -14.773 -6.194 0.071 1.00 0.00 H new ATOM 794 N GLN A 49 -11.756 -9.778 -0.326 1.00 0.00 N ATOM 795 CA GLN A 49 -10.360 -10.052 -0.006 1.00 0.00 C ATOM 796 C GLN A 49 -9.427 -9.318 -0.964 1.00 0.00 C ATOM 797 O GLN A 49 -9.578 -9.408 -2.183 1.00 0.00 O ATOM 798 CB GLN A 49 -10.087 -11.556 -0.062 1.00 0.00 C ATOM 799 CG GLN A 49 -10.598 -12.312 1.154 1.00 0.00 C ATOM 800 CD GLN A 49 -9.752 -12.072 2.389 1.00 0.00 C ATOM 801 OE1 GLN A 49 -9.250 -10.969 2.606 1.00 0.00 O ATOM 802 NE2 GLN A 49 -9.590 -13.106 3.206 1.00 0.00 N ATOM 0 H GLN A 49 -12.069 -10.165 -1.216 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.169 -9.693 1.005 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -10.552 -11.968 -0.958 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -9.013 -11.719 -0.156 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -11.626 -12.012 1.358 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.616 -13.379 0.932 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -10.025 -14.002 2.987 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -9.031 -13.004 4.053 1.00 0.00 H new ATOM 811 N SER A 50 -8.464 -8.592 -0.405 1.00 0.00 N ATOM 812 CA SER A 50 -7.509 -7.839 -1.211 1.00 0.00 C ATOM 813 C SER A 50 -7.075 -8.644 -2.432 1.00 0.00 C ATOM 814 O SER A 50 -6.213 -9.518 -2.338 1.00 0.00 O ATOM 815 CB SER A 50 -6.286 -7.464 -0.372 1.00 0.00 C ATOM 816 OG SER A 50 -6.663 -6.719 0.774 1.00 0.00 O ATOM 0 H SER A 50 -8.324 -8.509 0.602 1.00 0.00 H new ATOM 0 HA SER A 50 -7.999 -6.928 -1.554 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.760 -8.368 -0.065 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.591 -6.881 -0.976 1.00 0.00 H new ATOM 0 HG SER A 50 -5.949 -6.764 1.443 1.00 0.00 H new ATOM 822 N ARG A 51 -7.679 -8.342 -3.577 1.00 0.00 N ATOM 823 CA ARG A 51 -7.356 -9.038 -4.817 1.00 0.00 C ATOM 824 C ARG A 51 -5.846 -9.114 -5.020 1.00 0.00 C ATOM 825 O ARG A 51 -5.291 -10.193 -5.224 1.00 0.00 O ATOM 826 CB ARG A 51 -8.006 -8.330 -6.007 1.00 0.00 C ATOM 827 CG ARG A 51 -9.403 -8.836 -6.328 1.00 0.00 C ATOM 828 CD ARG A 51 -10.267 -7.742 -6.934 1.00 0.00 C ATOM 829 NE ARG A 51 -11.275 -8.280 -7.844 1.00 0.00 N ATOM 830 CZ ARG A 51 -11.837 -7.575 -8.819 1.00 0.00 C ATOM 831 NH1 ARG A 51 -11.490 -6.310 -9.011 1.00 0.00 N ATOM 832 NH2 ARG A 51 -12.747 -8.136 -9.606 1.00 0.00 N ATOM 0 H ARG A 51 -8.394 -7.621 -3.672 1.00 0.00 H new ATOM 0 HA ARG A 51 -7.747 -10.053 -4.748 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -8.055 -7.261 -5.801 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -7.372 -8.457 -6.885 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -9.337 -9.675 -7.021 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -9.873 -9.210 -5.419 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -10.759 -7.186 -6.136 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -9.634 -7.036 -7.471 1.00 0.00 H new ATOM 0 HE ARG A 51 -11.563 -9.251 -7.724 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -10.790 -5.876 -8.409 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -11.923 -5.771 -9.761 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -13.015 -9.110 -9.462 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -13.178 -7.594 -10.355 1.00 0.00 H new ATOM 846 N GLY A 52 -5.187 -7.961 -4.964 1.00 0.00 N ATOM 847 CA GLY A 52 -3.747 -7.919 -5.144 1.00 0.00 C ATOM 848 C GLY A 52 -3.265 -6.575 -5.651 1.00 0.00 C ATOM 849 O GLY A 52 -2.325 -6.502 -6.443 1.00 0.00 O ATOM 0 H GLY A 52 -5.624 -7.055 -4.797 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.259 -8.142 -4.195 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.449 -8.697 -5.847 1.00 0.00 H new ATOM 853 N PHE A 53 -3.910 -5.506 -5.195 1.00 0.00 N ATOM 854 CA PHE A 53 -3.544 -4.157 -5.610 1.00 0.00 C ATOM 855 C PHE A 53 -4.330 -3.113 -4.822 1.00 0.00 C ATOM 856 O PHE A 53 -5.406 -3.397 -4.298 1.00 0.00 O ATOM 857 CB PHE A 53 -3.792 -3.976 -7.108 1.00 0.00 C ATOM 858 CG PHE A 53 -5.218 -4.222 -7.513 1.00 0.00 C ATOM 859 CD1 PHE A 53 -5.715 -5.512 -7.599 1.00 0.00 C ATOM 860 CD2 PHE A 53 -6.061 -3.162 -7.808 1.00 0.00 C ATOM 861 CE1 PHE A 53 -7.025 -5.741 -7.972 1.00 0.00 C ATOM 862 CE2 PHE A 53 -7.373 -3.385 -8.181 1.00 0.00 C ATOM 863 CZ PHE A 53 -7.856 -4.677 -8.263 1.00 0.00 C ATOM 0 H PHE A 53 -4.689 -5.548 -4.538 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.483 -4.017 -5.406 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -3.511 -2.963 -7.395 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -3.143 -4.656 -7.660 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -5.071 -6.348 -7.372 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -5.688 -2.150 -7.746 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -7.399 -6.752 -8.036 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -8.020 -2.550 -8.408 1.00 0.00 H new ATOM 0 HZ PHE A 53 -8.881 -4.854 -8.554 1.00 0.00 H new ATOM 873 N GLY A 54 -3.783 -1.904 -4.743 1.00 0.00 N ATOM 874 CA GLY A 54 -4.446 -0.836 -4.018 1.00 0.00 C ATOM 875 C GLY A 54 -3.906 0.533 -4.380 1.00 0.00 C ATOM 876 O GLY A 54 -3.598 0.799 -5.542 1.00 0.00 O ATOM 0 H GLY A 54 -2.893 -1.645 -5.168 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.515 -0.868 -4.227 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.326 -0.999 -2.947 1.00 0.00 H new ATOM 880 N PHE A 55 -3.793 1.405 -3.384 1.00 0.00 N ATOM 881 CA PHE A 55 -3.289 2.756 -3.604 1.00 0.00 C ATOM 882 C PHE A 55 -2.687 3.328 -2.323 1.00 0.00 C ATOM 883 O PHE A 55 -2.979 2.858 -1.223 1.00 0.00 O ATOM 884 CB PHE A 55 -4.412 3.667 -4.104 1.00 0.00 C ATOM 885 CG PHE A 55 -4.936 3.283 -5.458 1.00 0.00 C ATOM 886 CD1 PHE A 55 -5.929 2.325 -5.585 1.00 0.00 C ATOM 887 CD2 PHE A 55 -4.437 3.881 -6.604 1.00 0.00 C ATOM 888 CE1 PHE A 55 -6.413 1.970 -6.830 1.00 0.00 C ATOM 889 CE2 PHE A 55 -4.917 3.530 -7.852 1.00 0.00 C ATOM 890 CZ PHE A 55 -5.907 2.574 -7.965 1.00 0.00 C ATOM 0 H PHE A 55 -4.044 1.201 -2.417 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.507 2.706 -4.361 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -5.232 3.647 -3.386 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.047 4.693 -4.142 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.329 1.850 -4.701 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -3.664 4.630 -6.521 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -7.186 1.221 -6.916 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -4.518 4.003 -8.737 1.00 0.00 H new ATOM 0 HZ PHE A 55 -6.285 2.299 -8.939 1.00 0.00 H new ATOM 900 N VAL A 56 -1.845 4.345 -2.475 1.00 0.00 N ATOM 901 CA VAL A 56 -1.202 4.982 -1.332 1.00 0.00 C ATOM 902 C VAL A 56 -0.935 6.458 -1.603 1.00 0.00 C ATOM 903 O VAL A 56 -0.208 6.808 -2.533 1.00 0.00 O ATOM 904 CB VAL A 56 0.127 4.288 -0.976 1.00 0.00 C ATOM 905 CG1 VAL A 56 0.813 5.006 0.176 1.00 0.00 C ATOM 906 CG2 VAL A 56 -0.111 2.824 -0.637 1.00 0.00 C ATOM 0 H VAL A 56 -1.592 4.745 -3.378 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.889 4.889 -0.491 1.00 0.00 H new ATOM 0 HB VAL A 56 0.785 4.334 -1.844 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.750 4.501 0.413 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.019 6.038 -0.109 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.163 4.994 1.051 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.838 2.349 -0.388 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.787 2.753 0.215 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.555 2.319 -1.495 1.00 0.00 H new ATOM 916 N LYS A 57 -1.529 7.321 -0.786 1.00 0.00 N ATOM 917 CA LYS A 57 -1.355 8.761 -0.935 1.00 0.00 C ATOM 918 C LYS A 57 -0.183 9.257 -0.094 1.00 0.00 C ATOM 919 O LYS A 57 -0.007 8.840 1.050 1.00 0.00 O ATOM 920 CB LYS A 57 -2.635 9.495 -0.529 1.00 0.00 C ATOM 921 CG LYS A 57 -2.851 10.800 -1.275 1.00 0.00 C ATOM 922 CD LYS A 57 -3.927 11.647 -0.618 1.00 0.00 C ATOM 923 CE LYS A 57 -3.862 13.093 -1.086 1.00 0.00 C ATOM 924 NZ LYS A 57 -4.277 13.235 -2.509 1.00 0.00 N ATOM 0 H LYS A 57 -2.136 7.048 -0.013 1.00 0.00 H new ATOM 0 HA LYS A 57 -1.141 8.970 -1.983 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -3.489 8.841 -0.703 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.603 9.699 0.541 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.916 11.360 -1.309 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.133 10.588 -2.306 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.909 11.233 -0.848 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.811 11.609 0.465 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.506 13.708 -0.457 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.846 13.469 -0.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.219 14.235 -2.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.647 12.669 -3.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.255 12.901 -2.620 1.00 0.00 H new ATOM 938 N PHE A 58 0.614 10.152 -0.668 1.00 0.00 N ATOM 939 CA PHE A 58 1.769 10.706 0.029 1.00 0.00 C ATOM 940 C PHE A 58 1.643 12.220 0.172 1.00 0.00 C ATOM 941 O PHE A 58 1.463 12.936 -0.813 1.00 0.00 O ATOM 942 CB PHE A 58 3.058 10.359 -0.719 1.00 0.00 C ATOM 943 CG PHE A 58 3.512 8.943 -0.505 1.00 0.00 C ATOM 944 CD1 PHE A 58 4.261 8.603 0.610 1.00 0.00 C ATOM 945 CD2 PHE A 58 3.191 7.953 -1.419 1.00 0.00 C ATOM 946 CE1 PHE A 58 4.681 7.302 0.809 1.00 0.00 C ATOM 947 CE2 PHE A 58 3.607 6.649 -1.226 1.00 0.00 C ATOM 948 CZ PHE A 58 4.353 6.323 -0.110 1.00 0.00 C ATOM 0 H PHE A 58 0.481 10.509 -1.614 1.00 0.00 H new ATOM 0 HA PHE A 58 1.806 10.266 1.026 1.00 0.00 H new ATOM 0 HB2 PHE A 58 2.906 10.526 -1.785 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.848 11.038 -0.399 1.00 0.00 H new ATOM 0 HD1 PHE A 58 4.519 9.364 1.332 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.608 8.203 -2.293 1.00 0.00 H new ATOM 0 HE1 PHE A 58 5.265 7.050 1.682 1.00 0.00 H new ATOM 0 HE2 PHE A 58 3.349 5.887 -1.946 1.00 0.00 H new ATOM 0 HZ PHE A 58 4.679 5.305 0.044 1.00 0.00 H new ATOM 958 N LYS A 59 1.737 12.701 1.407 1.00 0.00 N ATOM 959 CA LYS A 59 1.635 14.129 1.682 1.00 0.00 C ATOM 960 C LYS A 59 2.313 14.945 0.586 1.00 0.00 C ATOM 961 O LYS A 59 1.778 15.955 0.129 1.00 0.00 O ATOM 962 CB LYS A 59 2.264 14.455 3.038 1.00 0.00 C ATOM 963 CG LYS A 59 1.853 15.808 3.591 1.00 0.00 C ATOM 964 CD LYS A 59 1.982 15.856 5.104 1.00 0.00 C ATOM 965 CE LYS A 59 3.360 16.337 5.531 1.00 0.00 C ATOM 966 NZ LYS A 59 4.419 15.338 5.216 1.00 0.00 N ATOM 0 H LYS A 59 1.884 12.122 2.234 1.00 0.00 H new ATOM 0 HA LYS A 59 0.578 14.393 1.706 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.987 13.680 3.753 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.349 14.426 2.942 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.473 16.587 3.147 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.823 16.020 3.306 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.221 16.519 5.514 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.797 14.865 5.518 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.588 17.278 5.030 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.358 16.539 6.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.054 15.236 6.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.978 14.420 5.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.965 15.659 4.391 1.00 0.00 H new ATOM 980 N ASP A 60 3.493 14.499 0.168 1.00 0.00 N ATOM 981 CA ASP A 60 4.243 15.186 -0.877 1.00 0.00 C ATOM 982 C ASP A 60 4.436 14.282 -2.091 1.00 0.00 C ATOM 983 O ASP A 60 4.669 13.080 -1.970 1.00 0.00 O ATOM 984 CB ASP A 60 5.603 15.640 -0.343 1.00 0.00 C ATOM 985 CG ASP A 60 6.100 16.900 -1.025 1.00 0.00 C ATOM 986 OD1 ASP A 60 5.742 18.005 -0.565 1.00 0.00 O ATOM 987 OD2 ASP A 60 6.849 16.781 -2.017 1.00 0.00 O ATOM 0 H ASP A 60 3.950 13.665 0.537 1.00 0.00 H new ATOM 0 HA ASP A 60 3.671 16.061 -1.185 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.529 15.816 0.730 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.331 14.842 -0.485 1.00 0.00 H new ATOM 992 N PRO A 61 4.336 14.874 -3.291 1.00 0.00 N ATOM 993 CA PRO A 61 4.495 14.141 -4.551 1.00 0.00 C ATOM 994 C PRO A 61 5.934 13.693 -4.783 1.00 0.00 C ATOM 995 O PRO A 61 6.250 13.099 -5.812 1.00 0.00 O ATOM 996 CB PRO A 61 4.075 15.162 -5.611 1.00 0.00 C ATOM 997 CG PRO A 61 4.325 16.488 -4.979 1.00 0.00 C ATOM 998 CD PRO A 61 4.060 16.303 -3.511 1.00 0.00 C ATOM 0 HA PRO A 61 3.906 13.224 -4.566 1.00 0.00 H new ATOM 0 HB2 PRO A 61 4.655 15.044 -6.526 1.00 0.00 H new ATOM 0 HB3 PRO A 61 3.026 15.044 -5.881 1.00 0.00 H new ATOM 0 HG2 PRO A 61 5.350 16.816 -5.152 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.671 17.251 -5.401 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.707 16.935 -2.903 1.00 0.00 H new ATOM 0 HD3 PRO A 61 3.032 16.558 -3.253 1.00 0.00 H new ATOM 1006 N ASN A 62 6.801 13.981 -3.818 1.00 0.00 N ATOM 1007 CA ASN A 62 8.208 13.608 -3.918 1.00 0.00 C ATOM 1008 C ASN A 62 8.445 12.221 -3.328 1.00 0.00 C ATOM 1009 O ASN A 62 9.332 11.490 -3.771 1.00 0.00 O ATOM 1010 CB ASN A 62 9.082 14.636 -3.199 1.00 0.00 C ATOM 1011 CG ASN A 62 10.498 14.672 -3.742 1.00 0.00 C ATOM 1012 OD1 ASN A 62 11.366 13.924 -3.293 1.00 0.00 O ATOM 1013 ND2 ASN A 62 10.737 15.545 -4.714 1.00 0.00 N ATOM 0 H ASN A 62 6.555 14.471 -2.958 1.00 0.00 H new ATOM 0 HA ASN A 62 8.479 13.586 -4.974 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.632 15.624 -3.298 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.110 14.404 -2.134 1.00 0.00 H new ATOM 0 HD21 ASN A 62 11.671 15.615 -5.119 1.00 0.00 H new ATOM 0 HD22 ASN A 62 9.987 16.146 -5.056 1.00 0.00 H new ATOM 1020 N CYS A 63 7.647 11.865 -2.328 1.00 0.00 N ATOM 1021 CA CYS A 63 7.770 10.565 -1.677 1.00 0.00 C ATOM 1022 C CYS A 63 7.636 9.434 -2.691 1.00 0.00 C ATOM 1023 O CYS A 63 8.332 8.422 -2.603 1.00 0.00 O ATOM 1024 CB CYS A 63 6.709 10.416 -0.585 1.00 0.00 C ATOM 1025 SG CYS A 63 6.898 11.573 0.791 1.00 0.00 S ATOM 0 H CYS A 63 6.908 12.458 -1.950 1.00 0.00 H new ATOM 0 HA CYS A 63 8.759 10.506 -1.223 1.00 0.00 H new ATOM 0 HB2 CYS A 63 5.724 10.555 -1.030 1.00 0.00 H new ATOM 0 HB3 CYS A 63 6.743 9.398 -0.197 1.00 0.00 H new ATOM 0 HG CYS A 63 5.845 11.518 1.552 1.00 0.00 H new ATOM 1031 N VAL A 64 6.737 9.612 -3.653 1.00 0.00 N ATOM 1032 CA VAL A 64 6.511 8.606 -4.684 1.00 0.00 C ATOM 1033 C VAL A 64 7.824 8.168 -5.322 1.00 0.00 C ATOM 1034 O VAL A 64 8.143 6.981 -5.357 1.00 0.00 O ATOM 1035 CB VAL A 64 5.569 9.132 -5.784 1.00 0.00 C ATOM 1036 CG1 VAL A 64 5.333 8.063 -6.840 1.00 0.00 C ATOM 1037 CG2 VAL A 64 4.253 9.597 -5.180 1.00 0.00 C ATOM 0 H VAL A 64 6.153 10.444 -3.740 1.00 0.00 H new ATOM 0 HA VAL A 64 6.045 7.751 -4.195 1.00 0.00 H new ATOM 0 HB VAL A 64 6.043 9.987 -6.267 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.665 8.452 -7.609 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.284 7.783 -7.293 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.880 7.187 -6.376 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.600 9.965 -5.971 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.771 8.762 -4.671 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.444 10.397 -4.465 1.00 0.00 H new ATOM 1047 N GLY A 65 8.584 9.137 -5.824 1.00 0.00 N ATOM 1048 CA GLY A 65 9.856 8.831 -6.453 1.00 0.00 C ATOM 1049 C GLY A 65 10.768 8.020 -5.554 1.00 0.00 C ATOM 1050 O GLY A 65 11.215 6.935 -5.927 1.00 0.00 O ATOM 0 H GLY A 65 8.342 10.128 -5.806 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.678 8.280 -7.376 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.355 9.760 -6.728 1.00 0.00 H new ATOM 1054 N THR A 66 11.046 8.548 -4.366 1.00 0.00 N ATOM 1055 CA THR A 66 11.913 7.867 -3.412 1.00 0.00 C ATOM 1056 C THR A 66 11.612 6.374 -3.364 1.00 0.00 C ATOM 1057 O THR A 66 12.523 5.546 -3.373 1.00 0.00 O ATOM 1058 CB THR A 66 11.762 8.456 -1.997 1.00 0.00 C ATOM 1059 OG1 THR A 66 12.228 9.810 -1.978 1.00 0.00 O ATOM 1060 CG2 THR A 66 12.541 7.632 -0.982 1.00 0.00 C ATOM 0 H THR A 66 10.684 9.445 -4.042 1.00 0.00 H new ATOM 0 HA THR A 66 12.938 8.017 -3.753 1.00 0.00 H new ATOM 0 HB THR A 66 10.706 8.432 -1.728 1.00 0.00 H new ATOM 0 HG1 THR A 66 12.127 10.178 -1.075 1.00 0.00 H new ATOM 0 HG21 THR A 66 12.419 8.067 0.010 1.00 0.00 H new ATOM 0 HG22 THR A 66 12.165 6.609 -0.978 1.00 0.00 H new ATOM 0 HG23 THR A 66 13.598 7.629 -1.250 1.00 0.00 H new ATOM 1068 N VAL A 67 10.328 6.035 -3.312 1.00 0.00 N ATOM 1069 CA VAL A 67 9.906 4.640 -3.264 1.00 0.00 C ATOM 1070 C VAL A 67 10.140 3.949 -4.603 1.00 0.00 C ATOM 1071 O VAL A 67 10.614 2.813 -4.654 1.00 0.00 O ATOM 1072 CB VAL A 67 8.418 4.516 -2.887 1.00 0.00 C ATOM 1073 CG1 VAL A 67 7.951 3.075 -3.022 1.00 0.00 C ATOM 1074 CG2 VAL A 67 8.182 5.032 -1.476 1.00 0.00 C ATOM 0 H VAL A 67 9.561 6.708 -3.302 1.00 0.00 H new ATOM 0 HA VAL A 67 10.508 4.153 -2.497 1.00 0.00 H new ATOM 0 HB VAL A 67 7.834 5.127 -3.575 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.897 3.007 -2.751 1.00 0.00 H new ATOM 0 HG12 VAL A 67 8.083 2.745 -4.052 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.537 2.439 -2.359 1.00 0.00 H new ATOM 0 HG21 VAL A 67 7.125 4.937 -1.226 1.00 0.00 H new ATOM 0 HG22 VAL A 67 8.776 4.449 -0.771 1.00 0.00 H new ATOM 0 HG23 VAL A 67 8.476 6.080 -1.418 1.00 0.00 H new ATOM 1084 N LEU A 68 9.805 4.641 -5.686 1.00 0.00 N ATOM 1085 CA LEU A 68 9.978 4.095 -7.027 1.00 0.00 C ATOM 1086 C LEU A 68 11.404 3.593 -7.231 1.00 0.00 C ATOM 1087 O LEU A 68 11.619 2.458 -7.655 1.00 0.00 O ATOM 1088 CB LEU A 68 9.643 5.155 -8.078 1.00 0.00 C ATOM 1089 CG LEU A 68 8.166 5.530 -8.207 1.00 0.00 C ATOM 1090 CD1 LEU A 68 7.989 6.668 -9.199 1.00 0.00 C ATOM 1091 CD2 LEU A 68 7.343 4.320 -8.627 1.00 0.00 C ATOM 0 H LEU A 68 9.412 5.582 -5.662 1.00 0.00 H new ATOM 0 HA LEU A 68 9.296 3.252 -7.140 1.00 0.00 H new ATOM 0 HB2 LEU A 68 10.208 6.058 -7.847 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.993 4.800 -9.047 1.00 0.00 H new ATOM 0 HG LEU A 68 7.810 5.866 -7.233 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.932 6.921 -9.278 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.546 7.540 -8.856 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.362 6.360 -10.176 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.295 4.605 -8.714 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.700 3.953 -9.589 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.444 3.534 -7.879 1.00 0.00 H new ATOM 1103 N ALA A 69 12.375 4.447 -6.924 1.00 0.00 N ATOM 1104 CA ALA A 69 13.781 4.089 -7.069 1.00 0.00 C ATOM 1105 C ALA A 69 14.124 2.862 -6.231 1.00 0.00 C ATOM 1106 O ALA A 69 14.958 2.045 -6.621 1.00 0.00 O ATOM 1107 CB ALA A 69 14.667 5.262 -6.678 1.00 0.00 C ATOM 0 H ALA A 69 12.214 5.391 -6.573 1.00 0.00 H new ATOM 0 HA ALA A 69 13.962 3.844 -8.116 1.00 0.00 H new ATOM 0 HB1 ALA A 69 15.714 4.981 -6.791 1.00 0.00 H new ATOM 0 HB2 ALA A 69 14.448 6.114 -7.322 1.00 0.00 H new ATOM 0 HB3 ALA A 69 14.474 5.533 -5.640 1.00 0.00 H new ATOM 1113 N SER A 70 13.477 2.740 -5.076 1.00 0.00 N ATOM 1114 CA SER A 70 13.718 1.615 -4.180 1.00 0.00 C ATOM 1115 C SER A 70 13.254 0.307 -4.814 1.00 0.00 C ATOM 1116 O SER A 70 13.806 -0.759 -4.540 1.00 0.00 O ATOM 1117 CB SER A 70 12.998 1.833 -2.848 1.00 0.00 C ATOM 1118 OG SER A 70 13.827 2.521 -1.927 1.00 0.00 O ATOM 0 H SER A 70 12.782 3.406 -4.739 1.00 0.00 H new ATOM 0 HA SER A 70 14.791 1.550 -3.998 1.00 0.00 H new ATOM 0 HB2 SER A 70 12.083 2.402 -3.014 1.00 0.00 H new ATOM 0 HB3 SER A 70 12.703 0.871 -2.429 1.00 0.00 H new ATOM 0 HG SER A 70 13.273 2.927 -1.228 1.00 0.00 H new ATOM 1124 N ARG A 71 12.235 0.397 -5.662 1.00 0.00 N ATOM 1125 CA ARG A 71 11.694 -0.779 -6.334 1.00 0.00 C ATOM 1126 C ARG A 71 12.814 -1.718 -6.771 1.00 0.00 C ATOM 1127 O ARG A 71 13.950 -1.304 -7.005 1.00 0.00 O ATOM 1128 CB ARG A 71 10.863 -0.361 -7.548 1.00 0.00 C ATOM 1129 CG ARG A 71 9.554 0.322 -7.185 1.00 0.00 C ATOM 1130 CD ARG A 71 8.778 0.736 -8.425 1.00 0.00 C ATOM 1131 NE ARG A 71 9.510 1.711 -9.229 1.00 0.00 N ATOM 1132 CZ ARG A 71 9.182 2.031 -10.476 1.00 0.00 C ATOM 1133 NH1 ARG A 71 8.139 1.456 -11.058 1.00 0.00 N ATOM 1134 NH2 ARG A 71 9.897 2.928 -11.142 1.00 0.00 N ATOM 0 H ARG A 71 11.767 1.272 -5.900 1.00 0.00 H new ATOM 0 HA ARG A 71 11.054 -1.308 -5.628 1.00 0.00 H new ATOM 0 HB2 ARG A 71 11.455 0.313 -8.168 1.00 0.00 H new ATOM 0 HB3 ARG A 71 10.648 -1.243 -8.151 1.00 0.00 H new ATOM 0 HG2 ARG A 71 8.946 -0.352 -6.582 1.00 0.00 H new ATOM 0 HG3 ARG A 71 9.758 1.200 -6.573 1.00 0.00 H new ATOM 0 HD2 ARG A 71 8.564 -0.145 -9.030 1.00 0.00 H new ATOM 0 HD3 ARG A 71 7.818 1.159 -8.128 1.00 0.00 H new ATOM 0 HE ARG A 71 10.318 2.172 -8.810 1.00 0.00 H new ATOM 0 HH11 ARG A 71 7.587 0.766 -10.548 1.00 0.00 H new ATOM 0 HH12 ARG A 71 7.889 1.703 -12.015 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.700 3.373 -10.697 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.644 3.173 -12.099 1.00 0.00 H new ATOM 1148 N PRO A 72 12.490 -3.015 -6.883 1.00 0.00 N ATOM 1149 CA PRO A 72 11.142 -3.520 -6.606 1.00 0.00 C ATOM 1150 C PRO A 72 10.793 -3.460 -5.123 1.00 0.00 C ATOM 1151 O PRO A 72 11.575 -2.965 -4.310 1.00 0.00 O ATOM 1152 CB PRO A 72 11.203 -4.973 -7.082 1.00 0.00 C ATOM 1153 CG PRO A 72 12.643 -5.343 -6.986 1.00 0.00 C ATOM 1154 CD PRO A 72 13.414 -4.088 -7.287 1.00 0.00 C ATOM 0 HA PRO A 72 10.375 -2.926 -7.102 1.00 0.00 H new ATOM 0 HB2 PRO A 72 10.586 -5.620 -6.459 1.00 0.00 H new ATOM 0 HB3 PRO A 72 10.836 -5.071 -8.104 1.00 0.00 H new ATOM 0 HG2 PRO A 72 12.884 -5.720 -5.992 1.00 0.00 H new ATOM 0 HG3 PRO A 72 12.891 -6.133 -7.695 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.348 -4.046 -6.727 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.673 -4.019 -8.344 1.00 0.00 H new ATOM 1162 N HIS A 73 9.614 -3.967 -4.775 1.00 0.00 N ATOM 1163 CA HIS A 73 9.163 -3.971 -3.388 1.00 0.00 C ATOM 1164 C HIS A 73 8.563 -5.324 -3.017 1.00 0.00 C ATOM 1165 O HIS A 73 8.159 -6.097 -3.887 1.00 0.00 O ATOM 1166 CB HIS A 73 8.133 -2.864 -3.162 1.00 0.00 C ATOM 1167 CG HIS A 73 8.742 -1.545 -2.796 1.00 0.00 C ATOM 1168 ND1 HIS A 73 8.888 -1.120 -1.493 1.00 0.00 N ATOM 1169 CD2 HIS A 73 9.245 -0.557 -3.572 1.00 0.00 C ATOM 1170 CE1 HIS A 73 9.453 0.074 -1.483 1.00 0.00 C ATOM 1171 NE2 HIS A 73 9.680 0.438 -2.732 1.00 0.00 N ATOM 0 H HIS A 73 8.954 -4.380 -5.434 1.00 0.00 H new ATOM 0 HA HIS A 73 10.027 -3.789 -2.749 1.00 0.00 H new ATOM 0 HB2 HIS A 73 7.539 -2.742 -4.067 1.00 0.00 H new ATOM 0 HB3 HIS A 73 7.449 -3.171 -2.371 1.00 0.00 H new ATOM 0 HD2 HIS A 73 9.295 -0.552 -4.651 1.00 0.00 H new ATOM 0 HE1 HIS A 73 9.689 0.654 -0.603 1.00 0.00 H new ATOM 0 HE2 HIS A 73 10.109 1.316 -3.025 1.00 0.00 H new ATOM 1180 N THR A 74 8.508 -5.605 -1.719 1.00 0.00 N ATOM 1181 CA THR A 74 7.960 -6.865 -1.232 1.00 0.00 C ATOM 1182 C THR A 74 7.451 -6.726 0.198 1.00 0.00 C ATOM 1183 O THR A 74 8.237 -6.632 1.142 1.00 0.00 O ATOM 1184 CB THR A 74 9.008 -7.991 -1.285 1.00 0.00 C ATOM 1185 OG1 THR A 74 9.598 -8.051 -2.588 1.00 0.00 O ATOM 1186 CG2 THR A 74 8.378 -9.334 -0.946 1.00 0.00 C ATOM 0 H THR A 74 8.836 -4.977 -0.986 1.00 0.00 H new ATOM 0 HA THR A 74 7.128 -7.123 -1.888 1.00 0.00 H new ATOM 0 HB THR A 74 9.780 -7.773 -0.547 1.00 0.00 H new ATOM 0 HG1 THR A 74 10.264 -8.769 -2.613 1.00 0.00 H new ATOM 0 HG21 THR A 74 9.138 -10.114 -0.990 1.00 0.00 H new ATOM 0 HG22 THR A 74 7.956 -9.295 0.058 1.00 0.00 H new ATOM 0 HG23 THR A 74 7.588 -9.557 -1.663 1.00 0.00 H new ATOM 1194 N LEU A 75 6.131 -6.716 0.353 1.00 0.00 N ATOM 1195 CA LEU A 75 5.516 -6.590 1.670 1.00 0.00 C ATOM 1196 C LEU A 75 4.710 -7.838 2.016 1.00 0.00 C ATOM 1197 O LEU A 75 4.178 -8.510 1.132 1.00 0.00 O ATOM 1198 CB LEU A 75 4.614 -5.356 1.718 1.00 0.00 C ATOM 1199 CG LEU A 75 3.567 -5.333 2.831 1.00 0.00 C ATOM 1200 CD1 LEU A 75 4.238 -5.258 4.194 1.00 0.00 C ATOM 1201 CD2 LEU A 75 2.611 -4.164 2.641 1.00 0.00 C ATOM 0 H LEU A 75 5.466 -6.794 -0.417 1.00 0.00 H new ATOM 0 HA LEU A 75 6.312 -6.479 2.406 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.245 -4.473 1.822 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.100 -5.269 0.761 1.00 0.00 H new ATOM 0 HG LEU A 75 2.993 -6.258 2.781 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.477 -5.243 4.974 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.881 -6.128 4.331 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.838 -4.350 4.255 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.873 -4.164 3.443 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.171 -3.229 2.663 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.104 -4.261 1.681 1.00 0.00 H new ATOM 1213 N ASP A 76 4.621 -8.140 3.307 1.00 0.00 N ATOM 1214 CA ASP A 76 3.876 -9.305 3.770 1.00 0.00 C ATOM 1215 C ASP A 76 4.233 -10.540 2.948 1.00 0.00 C ATOM 1216 O ASP A 76 3.354 -11.267 2.489 1.00 0.00 O ATOM 1217 CB ASP A 76 2.372 -9.040 3.689 1.00 0.00 C ATOM 1218 CG ASP A 76 1.826 -8.413 4.956 1.00 0.00 C ATOM 1219 OD1 ASP A 76 1.901 -7.173 5.084 1.00 0.00 O ATOM 1220 OD2 ASP A 76 1.324 -9.162 5.821 1.00 0.00 O ATOM 0 H ASP A 76 5.055 -7.594 4.051 1.00 0.00 H new ATOM 0 HA ASP A 76 4.149 -9.491 4.809 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.167 -8.383 2.844 1.00 0.00 H new ATOM 0 HB3 ASP A 76 1.851 -9.978 3.497 1.00 0.00 H new ATOM 1225 N GLY A 77 5.530 -10.770 2.767 1.00 0.00 N ATOM 1226 CA GLY A 77 5.980 -11.917 2.000 1.00 0.00 C ATOM 1227 C GLY A 77 5.346 -11.979 0.625 1.00 0.00 C ATOM 1228 O GLY A 77 5.143 -13.062 0.076 1.00 0.00 O ATOM 0 H GLY A 77 6.277 -10.183 3.138 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.064 -11.878 1.895 1.00 0.00 H new ATOM 0 HA3 GLY A 77 5.745 -12.830 2.547 1.00 0.00 H new ATOM 1232 N ARG A 78 5.030 -10.815 0.067 1.00 0.00 N ATOM 1233 CA ARG A 78 4.412 -10.742 -1.252 1.00 0.00 C ATOM 1234 C ARG A 78 5.147 -9.744 -2.142 1.00 0.00 C ATOM 1235 O ARG A 78 5.336 -8.587 -1.769 1.00 0.00 O ATOM 1236 CB ARG A 78 2.941 -10.343 -1.128 1.00 0.00 C ATOM 1237 CG ARG A 78 2.290 -9.996 -2.456 1.00 0.00 C ATOM 1238 CD ARG A 78 1.961 -11.245 -3.259 1.00 0.00 C ATOM 1239 NE ARG A 78 1.974 -10.990 -4.697 1.00 0.00 N ATOM 1240 CZ ARG A 78 2.009 -11.952 -5.614 1.00 0.00 C ATOM 1241 NH1 ARG A 78 2.034 -13.224 -5.243 1.00 0.00 N ATOM 1242 NH2 ARG A 78 2.018 -11.640 -6.903 1.00 0.00 N ATOM 0 H ARG A 78 5.192 -9.909 0.508 1.00 0.00 H new ATOM 0 HA ARG A 78 4.476 -11.729 -1.711 1.00 0.00 H new ATOM 0 HB2 ARG A 78 2.389 -11.161 -0.665 1.00 0.00 H new ATOM 0 HB3 ARG A 78 2.861 -9.486 -0.459 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.378 -9.426 -2.277 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.957 -9.356 -3.033 1.00 0.00 H new ATOM 0 HD2 ARG A 78 2.682 -12.028 -3.023 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.979 -11.617 -2.966 1.00 0.00 H new ATOM 0 HE ARG A 78 1.955 -10.021 -5.015 1.00 0.00 H new ATOM 0 HH11 ARG A 78 2.026 -13.467 -4.252 1.00 0.00 H new ATOM 0 HH12 ARG A 78 2.061 -13.960 -5.948 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.998 -10.662 -7.191 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.045 -12.378 -7.606 1.00 0.00 H new ATOM 1256 N ASN A 79 5.560 -10.201 -3.319 1.00 0.00 N ATOM 1257 CA ASN A 79 6.275 -9.349 -4.262 1.00 0.00 C ATOM 1258 C ASN A 79 5.344 -8.301 -4.864 1.00 0.00 C ATOM 1259 O ASN A 79 4.530 -8.608 -5.736 1.00 0.00 O ATOM 1260 CB ASN A 79 6.897 -10.194 -5.376 1.00 0.00 C ATOM 1261 CG ASN A 79 8.154 -10.912 -4.923 1.00 0.00 C ATOM 1262 OD1 ASN A 79 8.126 -12.105 -4.622 1.00 0.00 O ATOM 1263 ND2 ASN A 79 9.265 -10.186 -4.874 1.00 0.00 N ATOM 0 H ASN A 79 5.412 -11.157 -3.643 1.00 0.00 H new ATOM 0 HA ASN A 79 7.068 -8.835 -3.718 1.00 0.00 H new ATOM 0 HB2 ASN A 79 6.168 -10.927 -5.723 1.00 0.00 H new ATOM 0 HB3 ASN A 79 7.134 -9.553 -6.225 1.00 0.00 H new ATOM 0 HD21 ASN A 79 10.142 -10.615 -4.578 1.00 0.00 H new ATOM 0 HD22 ASN A 79 9.242 -9.200 -5.133 1.00 0.00 H new ATOM 1270 N ILE A 80 5.468 -7.066 -4.392 1.00 0.00 N ATOM 1271 CA ILE A 80 4.639 -5.973 -4.885 1.00 0.00 C ATOM 1272 C ILE A 80 5.474 -4.949 -5.646 1.00 0.00 C ATOM 1273 O ILE A 80 6.703 -4.961 -5.578 1.00 0.00 O ATOM 1274 CB ILE A 80 3.901 -5.264 -3.734 1.00 0.00 C ATOM 1275 CG1 ILE A 80 4.880 -4.423 -2.912 1.00 0.00 C ATOM 1276 CG2 ILE A 80 3.196 -6.281 -2.850 1.00 0.00 C ATOM 1277 CD1 ILE A 80 4.202 -3.427 -1.998 1.00 0.00 C ATOM 0 H ILE A 80 6.135 -6.797 -3.669 1.00 0.00 H new ATOM 0 HA ILE A 80 3.905 -6.413 -5.560 1.00 0.00 H new ATOM 0 HB ILE A 80 3.149 -4.599 -4.160 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.503 -5.087 -2.313 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.545 -3.888 -3.590 1.00 0.00 H new ATOM 0 HG21 ILE A 80 2.679 -5.764 -2.041 1.00 0.00 H new ATOM 0 HG22 ILE A 80 2.473 -6.840 -3.444 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.930 -6.969 -2.430 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.957 -2.866 -1.447 1.00 0.00 H new ATOM 0 HD12 ILE A 80 3.601 -2.739 -2.592 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.559 -3.957 -1.295 1.00 0.00 H new ATOM 1289 N ASP A 81 4.798 -4.063 -6.369 1.00 0.00 N ATOM 1290 CA ASP A 81 5.477 -3.029 -7.142 1.00 0.00 C ATOM 1291 C ASP A 81 4.585 -1.803 -7.310 1.00 0.00 C ATOM 1292 O ASP A 81 3.563 -1.837 -7.995 1.00 0.00 O ATOM 1293 CB ASP A 81 5.883 -3.571 -8.513 1.00 0.00 C ATOM 1294 CG ASP A 81 7.018 -2.781 -9.135 1.00 0.00 C ATOM 1295 OD1 ASP A 81 7.984 -2.460 -8.411 1.00 0.00 O ATOM 1296 OD2 ASP A 81 6.940 -2.484 -10.345 1.00 0.00 O ATOM 0 H ASP A 81 3.780 -4.040 -6.436 1.00 0.00 H new ATOM 0 HA ASP A 81 6.373 -2.732 -6.597 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.182 -4.614 -8.414 1.00 0.00 H new ATOM 0 HB3 ASP A 81 5.021 -3.548 -9.179 1.00 0.00 H new ATOM 1301 N PRO A 82 4.979 -0.692 -6.668 1.00 0.00 N ATOM 1302 CA PRO A 82 4.230 0.566 -6.730 1.00 0.00 C ATOM 1303 C PRO A 82 4.304 1.217 -8.107 1.00 0.00 C ATOM 1304 O PRO A 82 5.112 0.824 -8.949 1.00 0.00 O ATOM 1305 CB PRO A 82 4.923 1.444 -5.686 1.00 0.00 C ATOM 1306 CG PRO A 82 6.306 0.900 -5.591 1.00 0.00 C ATOM 1307 CD PRO A 82 6.187 -0.580 -5.833 1.00 0.00 C ATOM 0 HA PRO A 82 3.167 0.417 -6.543 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.929 2.491 -5.990 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.411 1.395 -4.725 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.960 1.365 -6.329 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.738 1.102 -4.611 1.00 0.00 H new ATOM 0 HD2 PRO A 82 7.066 -0.976 -6.342 1.00 0.00 H new ATOM 0 HD3 PRO A 82 6.083 -1.133 -4.899 1.00 0.00 H new ATOM 1315 N LYS A 83 3.456 2.215 -8.331 1.00 0.00 N ATOM 1316 CA LYS A 83 3.425 2.923 -9.605 1.00 0.00 C ATOM 1317 C LYS A 83 3.036 4.385 -9.407 1.00 0.00 C ATOM 1318 O LYS A 83 2.203 4.721 -8.565 1.00 0.00 O ATOM 1319 CB LYS A 83 2.442 2.248 -10.564 1.00 0.00 C ATOM 1320 CG LYS A 83 2.781 0.798 -10.861 1.00 0.00 C ATOM 1321 CD LYS A 83 2.249 0.367 -12.218 1.00 0.00 C ATOM 1322 CE LYS A 83 3.054 0.982 -13.352 1.00 0.00 C ATOM 1323 NZ LYS A 83 4.225 0.139 -13.722 1.00 0.00 N ATOM 0 H LYS A 83 2.780 2.552 -7.646 1.00 0.00 H new ATOM 0 HA LYS A 83 4.426 2.887 -10.036 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.440 2.298 -10.138 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.419 2.806 -11.500 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.862 0.663 -10.834 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.361 0.159 -10.085 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.282 -0.720 -12.295 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.204 0.662 -12.311 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.412 1.114 -14.223 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.399 1.973 -13.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.748 0.593 -14.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 4.851 0.034 -12.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.895 -0.798 -14.028 1.00 0.00 H new ATOM 1337 N PRO A 84 3.650 5.275 -10.200 1.00 0.00 N ATOM 1338 CA PRO A 84 3.382 6.714 -10.131 1.00 0.00 C ATOM 1339 C PRO A 84 1.991 7.070 -10.644 1.00 0.00 C ATOM 1340 O PRO A 84 1.591 8.235 -10.627 1.00 0.00 O ATOM 1341 CB PRO A 84 4.457 7.319 -11.038 1.00 0.00 C ATOM 1342 CG PRO A 84 4.805 6.229 -11.992 1.00 0.00 C ATOM 1343 CD PRO A 84 4.654 4.944 -11.226 1.00 0.00 C ATOM 0 HA PRO A 84 3.411 7.085 -9.106 1.00 0.00 H new ATOM 0 HB2 PRO A 84 4.084 8.199 -11.562 1.00 0.00 H new ATOM 0 HB3 PRO A 84 5.328 7.635 -10.463 1.00 0.00 H new ATOM 0 HG2 PRO A 84 4.146 6.245 -12.860 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.824 6.345 -12.362 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.319 4.130 -11.869 1.00 0.00 H new ATOM 0 HD3 PRO A 84 5.597 4.629 -10.779 1.00 0.00 H new ATOM 1351 N CYS A 85 1.257 6.060 -11.100 1.00 0.00 N ATOM 1352 CA CYS A 85 -0.090 6.267 -11.618 1.00 0.00 C ATOM 1353 C CYS A 85 -0.069 7.179 -12.840 1.00 0.00 C ATOM 1354 O CYS A 85 -0.935 8.040 -13.002 1.00 0.00 O ATOM 1355 CB CYS A 85 -0.989 6.865 -10.535 1.00 0.00 C ATOM 1356 SG CYS A 85 -1.601 5.659 -9.335 1.00 0.00 S ATOM 0 H CYS A 85 1.573 5.090 -11.121 1.00 0.00 H new ATOM 0 HA CYS A 85 -0.490 5.298 -11.918 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -0.435 7.640 -10.005 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -1.840 7.351 -11.012 1.00 0.00 H new ATOM 0 HG CYS A 85 -2.887 5.795 -9.201 1.00 0.00 H new ATOM 1362 N THR A 86 0.928 6.987 -13.698 1.00 0.00 N ATOM 1363 CA THR A 86 1.065 7.795 -14.904 1.00 0.00 C ATOM 1364 C THR A 86 1.314 6.919 -16.127 1.00 0.00 C ATOM 1365 O THR A 86 1.832 5.806 -16.028 1.00 0.00 O ATOM 1366 CB THR A 86 2.215 8.811 -14.772 1.00 0.00 C ATOM 1367 OG1 THR A 86 3.393 8.158 -14.287 1.00 0.00 O ATOM 1368 CG2 THR A 86 1.832 9.942 -13.829 1.00 0.00 C ATOM 0 H THR A 86 1.653 6.279 -13.580 1.00 0.00 H new ATOM 0 HA THR A 86 0.126 8.334 -15.031 1.00 0.00 H new ATOM 0 HB THR A 86 2.413 9.232 -15.758 1.00 0.00 H new ATOM 0 HG1 THR A 86 4.120 8.811 -14.208 1.00 0.00 H new ATOM 0 HG21 THR A 86 2.660 10.647 -13.751 1.00 0.00 H new ATOM 0 HG22 THR A 86 0.952 10.456 -14.216 1.00 0.00 H new ATOM 0 HG23 THR A 86 1.609 9.534 -12.843 1.00 0.00 H new ATOM 1376 N PRO A 87 0.939 7.431 -17.308 1.00 0.00 N ATOM 1377 CA PRO A 87 1.113 6.711 -18.574 1.00 0.00 C ATOM 1378 C PRO A 87 2.579 6.597 -18.978 1.00 0.00 C ATOM 1379 O PRO A 87 3.461 7.133 -18.308 1.00 0.00 O ATOM 1380 CB PRO A 87 0.347 7.573 -19.580 1.00 0.00 C ATOM 1381 CG PRO A 87 0.356 8.941 -18.991 1.00 0.00 C ATOM 1382 CD PRO A 87 0.316 8.751 -17.500 1.00 0.00 C ATOM 0 HA PRO A 87 0.754 5.684 -18.512 1.00 0.00 H new ATOM 0 HB2 PRO A 87 0.827 7.560 -20.559 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -0.671 7.209 -19.719 1.00 0.00 H new ATOM 0 HG2 PRO A 87 1.249 9.489 -19.291 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -0.502 9.519 -19.334 1.00 0.00 H new ATOM 0 HD2 PRO A 87 0.867 9.535 -16.980 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -0.705 8.773 -17.119 1.00 0.00 H new ATOM 1390 N ARG A 88 2.832 5.894 -20.078 1.00 0.00 N ATOM 1391 CA ARG A 88 4.191 5.709 -20.571 1.00 0.00 C ATOM 1392 C ARG A 88 4.519 6.728 -21.658 1.00 0.00 C ATOM 1393 O ARG A 88 4.214 6.518 -22.832 1.00 0.00 O ATOM 1394 CB ARG A 88 4.370 4.291 -21.114 1.00 0.00 C ATOM 1395 CG ARG A 88 4.152 3.206 -20.072 1.00 0.00 C ATOM 1396 CD ARG A 88 4.526 1.834 -20.609 1.00 0.00 C ATOM 1397 NE ARG A 88 3.466 1.262 -21.435 1.00 0.00 N ATOM 1398 CZ ARG A 88 3.461 0.002 -21.856 1.00 0.00 C ATOM 1399 NH1 ARG A 88 4.455 -0.813 -21.531 1.00 0.00 N ATOM 1400 NH2 ARG A 88 2.460 -0.445 -22.605 1.00 0.00 N ATOM 0 H ARG A 88 2.113 5.443 -20.644 1.00 0.00 H new ATOM 0 HA ARG A 88 4.877 5.860 -19.738 1.00 0.00 H new ATOM 0 HB2 ARG A 88 3.673 4.136 -21.938 1.00 0.00 H new ATOM 0 HB3 ARG A 88 5.375 4.192 -21.524 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.748 3.426 -19.186 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.107 3.204 -19.761 1.00 0.00 H new ATOM 0 HD2 ARG A 88 5.441 1.912 -21.196 1.00 0.00 H new ATOM 0 HD3 ARG A 88 4.738 1.164 -19.776 1.00 0.00 H new ATOM 0 HE ARG A 88 2.687 1.863 -21.703 1.00 0.00 H new ATOM 0 HH11 ARG A 88 5.226 -0.473 -20.956 1.00 0.00 H new ATOM 0 HH12 ARG A 88 4.449 -1.780 -21.856 1.00 0.00 H new ATOM 0 HH21 ARG A 88 1.694 0.179 -22.858 1.00 0.00 H new ATOM 0 HH22 ARG A 88 2.457 -1.413 -22.928 1.00 0.00 H new ATOM 1414 N GLY A 89 5.141 7.833 -21.260 1.00 0.00 N ATOM 1415 CA GLY A 89 5.499 8.868 -22.212 1.00 0.00 C ATOM 1416 C GLY A 89 6.989 9.145 -22.234 1.00 0.00 C ATOM 1417 O GLY A 89 7.638 9.169 -21.189 1.00 0.00 O ATOM 0 H GLY A 89 5.404 8.030 -20.294 1.00 0.00 H new ATOM 0 HA2 GLY A 89 5.173 8.569 -23.208 1.00 0.00 H new ATOM 0 HA3 GLY A 89 4.966 9.786 -21.964 1.00 0.00 H new ATOM 1421 N MET A 90 7.533 9.354 -23.429 1.00 0.00 N ATOM 1422 CA MET A 90 8.956 9.631 -23.582 1.00 0.00 C ATOM 1423 C MET A 90 9.190 11.096 -23.939 1.00 0.00 C ATOM 1424 O MET A 90 10.003 11.774 -23.312 1.00 0.00 O ATOM 1425 CB MET A 90 9.560 8.728 -24.660 1.00 0.00 C ATOM 1426 CG MET A 90 9.620 7.263 -24.261 1.00 0.00 C ATOM 1427 SD MET A 90 8.000 6.470 -24.285 1.00 0.00 S ATOM 1428 CE MET A 90 8.125 5.402 -22.853 1.00 0.00 C ATOM 0 H MET A 90 7.010 9.337 -24.304 1.00 0.00 H new ATOM 0 HA MET A 90 9.445 9.425 -22.630 1.00 0.00 H new ATOM 0 HB2 MET A 90 8.973 8.824 -25.573 1.00 0.00 H new ATOM 0 HB3 MET A 90 10.567 9.075 -24.891 1.00 0.00 H new ATOM 0 HG2 MET A 90 10.290 6.733 -24.938 1.00 0.00 H new ATOM 0 HG3 MET A 90 10.046 7.180 -23.261 1.00 0.00 H new ATOM 0 HE1 MET A 90 7.250 4.754 -22.805 1.00 0.00 H new ATOM 0 HE2 MET A 90 9.025 4.792 -22.932 1.00 0.00 H new ATOM 0 HE3 MET A 90 8.177 6.009 -21.949 1.00 0.00 H new ATOM 1438 N GLN A 91 8.472 11.575 -24.950 1.00 0.00 N ATOM 1439 CA GLN A 91 8.604 12.959 -25.390 1.00 0.00 C ATOM 1440 C GLN A 91 7.780 13.891 -24.508 1.00 0.00 C ATOM 1441 O GLN A 91 6.633 13.607 -24.163 1.00 0.00 O ATOM 1442 CB GLN A 91 8.163 13.096 -26.849 1.00 0.00 C ATOM 1443 CG GLN A 91 8.640 14.379 -27.510 1.00 0.00 C ATOM 1444 CD GLN A 91 10.137 14.390 -27.751 1.00 0.00 C ATOM 1445 OE1 GLN A 91 10.739 13.354 -28.036 1.00 0.00 O ATOM 1446 NE2 GLN A 91 10.747 15.564 -27.638 1.00 0.00 N ATOM 0 H GLN A 91 7.794 11.026 -25.479 1.00 0.00 H new ATOM 0 HA GLN A 91 9.653 13.243 -25.306 1.00 0.00 H new ATOM 0 HB2 GLN A 91 8.539 12.244 -27.415 1.00 0.00 H new ATOM 0 HB3 GLN A 91 7.075 13.055 -26.896 1.00 0.00 H new ATOM 0 HG2 GLN A 91 8.122 14.508 -28.460 1.00 0.00 H new ATOM 0 HG3 GLN A 91 8.371 15.228 -26.882 1.00 0.00 H new ATOM 0 HE21 GLN A 91 10.209 16.397 -27.400 1.00 0.00 H new ATOM 0 HE22 GLN A 91 11.753 15.632 -27.789 1.00 0.00 H new ATOM 1455 N PRO A 92 8.378 15.032 -24.132 1.00 0.00 N ATOM 1456 CA PRO A 92 7.717 16.030 -23.285 1.00 0.00 C ATOM 1457 C PRO A 92 6.584 16.747 -24.010 1.00 0.00 C ATOM 1458 O PRO A 92 5.963 17.658 -23.462 1.00 0.00 O ATOM 1459 CB PRO A 92 8.843 17.010 -22.948 1.00 0.00 C ATOM 1460 CG PRO A 92 9.813 16.874 -24.071 1.00 0.00 C ATOM 1461 CD PRO A 92 9.744 15.436 -24.505 1.00 0.00 C ATOM 0 HA PRO A 92 7.251 15.578 -22.409 1.00 0.00 H new ATOM 0 HB2 PRO A 92 8.469 18.031 -22.870 1.00 0.00 H new ATOM 0 HB3 PRO A 92 9.307 16.766 -21.992 1.00 0.00 H new ATOM 0 HG2 PRO A 92 9.555 17.542 -24.892 1.00 0.00 H new ATOM 0 HG3 PRO A 92 10.821 17.137 -23.750 1.00 0.00 H new ATOM 0 HD2 PRO A 92 9.916 15.331 -25.576 1.00 0.00 H new ATOM 0 HD3 PRO A 92 10.495 14.828 -24.001 1.00 0.00 H new ATOM 1469 N SER A 93 6.321 16.332 -25.244 1.00 0.00 N ATOM 1470 CA SER A 93 5.264 16.938 -26.046 1.00 0.00 C ATOM 1471 C SER A 93 4.103 17.387 -25.164 1.00 0.00 C ATOM 1472 O SER A 93 3.471 16.576 -24.490 1.00 0.00 O ATOM 1473 CB SER A 93 4.765 15.949 -27.101 1.00 0.00 C ATOM 1474 OG SER A 93 3.778 15.085 -26.565 1.00 0.00 O ATOM 0 H SER A 93 6.825 15.578 -25.711 1.00 0.00 H new ATOM 0 HA SER A 93 5.678 17.814 -26.546 1.00 0.00 H new ATOM 0 HB2 SER A 93 4.353 16.495 -27.949 1.00 0.00 H new ATOM 0 HB3 SER A 93 5.602 15.361 -27.477 1.00 0.00 H new ATOM 0 HG SER A 93 3.727 15.209 -25.594 1.00 0.00 H new ATOM 1480 N GLY A 94 3.829 18.688 -25.176 1.00 0.00 N ATOM 1481 CA GLY A 94 2.745 19.225 -24.373 1.00 0.00 C ATOM 1482 C GLY A 94 2.985 20.664 -23.963 1.00 0.00 C ATOM 1483 O GLY A 94 3.141 20.978 -22.783 1.00 0.00 O ATOM 0 H GLY A 94 4.338 19.379 -25.727 1.00 0.00 H new ATOM 0 HA2 GLY A 94 1.814 19.161 -24.936 1.00 0.00 H new ATOM 0 HA3 GLY A 94 2.620 18.612 -23.480 1.00 0.00 H new ATOM 1487 N PRO A 95 3.019 21.568 -24.953 1.00 0.00 N ATOM 1488 CA PRO A 95 3.243 22.997 -24.713 1.00 0.00 C ATOM 1489 C PRO A 95 2.059 23.660 -24.016 1.00 0.00 C ATOM 1490 O PRO A 95 0.928 23.183 -24.104 1.00 0.00 O ATOM 1491 CB PRO A 95 3.423 23.569 -26.122 1.00 0.00 C ATOM 1492 CG PRO A 95 2.692 22.623 -27.011 1.00 0.00 C ATOM 1493 CD PRO A 95 2.841 21.265 -26.383 1.00 0.00 C ATOM 0 HA PRO A 95 4.094 23.172 -24.055 1.00 0.00 H new ATOM 0 HB2 PRO A 95 3.015 24.577 -26.195 1.00 0.00 H new ATOM 0 HB3 PRO A 95 4.477 23.632 -26.392 1.00 0.00 H new ATOM 0 HG2 PRO A 95 1.641 22.900 -27.096 1.00 0.00 H new ATOM 0 HG3 PRO A 95 3.107 22.635 -28.019 1.00 0.00 H new ATOM 0 HD2 PRO A 95 1.962 20.644 -26.556 1.00 0.00 H new ATOM 0 HD3 PRO A 95 3.697 20.726 -26.789 1.00 0.00 H new ATOM 1501 N SER A 96 2.328 24.763 -23.325 1.00 0.00 N ATOM 1502 CA SER A 96 1.285 25.489 -22.610 1.00 0.00 C ATOM 1503 C SER A 96 1.817 26.816 -22.076 1.00 0.00 C ATOM 1504 O SER A 96 2.582 26.849 -21.113 1.00 0.00 O ATOM 1505 CB SER A 96 0.743 24.643 -21.456 1.00 0.00 C ATOM 1506 OG SER A 96 -0.525 25.111 -21.033 1.00 0.00 O ATOM 0 H SER A 96 3.258 25.173 -23.245 1.00 0.00 H new ATOM 0 HA SER A 96 0.476 25.696 -23.310 1.00 0.00 H new ATOM 0 HB2 SER A 96 0.664 23.602 -21.770 1.00 0.00 H new ATOM 0 HB3 SER A 96 1.442 24.672 -20.620 1.00 0.00 H new ATOM 0 HG SER A 96 -0.851 24.553 -20.296 1.00 0.00 H new ATOM 1512 N SER A 97 1.404 27.909 -22.710 1.00 0.00 N ATOM 1513 CA SER A 97 1.840 29.240 -22.302 1.00 0.00 C ATOM 1514 C SER A 97 0.721 30.260 -22.488 1.00 0.00 C ATOM 1515 O SER A 97 -0.393 29.911 -22.876 1.00 0.00 O ATOM 1516 CB SER A 97 3.071 29.664 -23.106 1.00 0.00 C ATOM 1517 OG SER A 97 4.236 29.005 -22.641 1.00 0.00 O ATOM 0 H SER A 97 0.768 27.899 -23.508 1.00 0.00 H new ATOM 0 HA SER A 97 2.100 29.202 -21.244 1.00 0.00 H new ATOM 0 HB2 SER A 97 2.917 29.436 -24.161 1.00 0.00 H new ATOM 0 HB3 SER A 97 3.205 30.743 -23.030 1.00 0.00 H new ATOM 0 HG SER A 97 3.986 28.325 -21.981 1.00 0.00 H new ATOM 1523 N GLY A 98 1.027 31.523 -22.209 1.00 0.00 N ATOM 1524 CA GLY A 98 0.038 32.575 -22.351 1.00 0.00 C ATOM 1525 C GLY A 98 -0.595 32.958 -21.028 1.00 0.00 C ATOM 1526 O GLY A 98 -1.693 33.514 -20.996 1.00 0.00 O ATOM 0 H GLY A 98 1.943 31.837 -21.887 1.00 0.00 H new ATOM 0 HA2 GLY A 98 0.508 33.454 -22.793 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -0.740 32.248 -23.041 1.00 0.00 H new TER 1530 GLY A 98