USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 693 hydrogens (16 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 NoAdj-H: A 91 SUZ HO2 : A 91 SUZ O2 : A 91 SUZ C12 :(short bond) USER MOD Set 1.1: A 56 GLN : amide:sc= 0.0769 K(o=1.4,f=-2.6!) USER MOD Set 1.2: A 87 THR OG1 : rot 75:sc= 1.29 USER MOD Set 2.1: A 22 GLN : amide:sc= -0.568 K(o=-0.22,f=0.34) USER MOD Set 2.2: A 32 TYR OH : rot -92:sc= 0.345 USER MOD Single : A 1 ASN : amide:sc= -0.0782 K(o=-0.078,f=-0.59) USER MOD Single : A 1 ASN N :NH3+ -161:sc= 1.19 (180deg=1.15) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.057 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0.146 K(o=0.15,f=-6.1!) USER MOD Single : A 9 MET CE :methyl -172:sc= -0.0188 (180deg=-0.18) USER MOD Single : A 12 HIS : no HE2:sc= 0.249 K(o=0.25,f=-0.84) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=-0.096) USER MOD Single : A 18 SER OG : rot 180:sc= 0.713 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0.342 K(o=0.34,f=-4.5!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -149:sc= -0.012 (180deg=-0.287) USER MOD Single : A 38 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0101) USER MOD Single : A 53 MET CE :methyl 151:sc=-0.00464 (180deg=-1.46!) USER MOD Single : A 58 ASN : amide:sc= 1.97 K(o=2,f=-6.8!) USER MOD Single : A 61 ASN : amide:sc= 0.0258 K(o=0.026,f=-3.9!) USER MOD Single : A 64 ASN : amide:sc= -0.188 K(o=-0.19,f=-1.7!) USER MOD Single : A 65 MET CE :methyl -132:sc= 0 (180deg=-1.63) USER MOD Single : A 66 SER OG : rot 126:sc= 1.37 USER MOD Single : A 67 ASN : amide:sc= 0.929 K(o=0.93,f=-3.1!) USER MOD Single : A 79 SER OG : rot 101:sc= 1.28 USER MOD Single : A 80 GLN : amide:sc= 0.0603 X(o=0.06,f=-0.2) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.00522 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 165:sc= 1.35 (180deg=0.564) USER MOD Single : A 91 SUZ C1 :methyl -160:sc= -0.0414 (180deg=-0.719) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 4.733 13.247 7.697 1.00 0.00 N ATOM 2 CA ASN A 1 3.434 13.001 8.357 1.00 0.00 C ATOM 3 C ASN A 1 2.924 11.607 8.025 1.00 0.00 C ATOM 4 O ASN A 1 2.522 11.334 6.895 1.00 0.00 O ATOM 5 CB ASN A 1 2.410 14.046 7.915 1.00 0.00 C ATOM 6 CG ASN A 1 1.052 13.844 8.563 1.00 0.00 C ATOM 7 OD1 ASN A 1 0.947 13.326 9.671 1.00 0.00 O ATOM 8 ND2 ASN A 1 0.000 14.262 7.875 1.00 0.00 N ATOM 0 H1 ASN A 1 5.218 14.038 8.168 1.00 0.00 H new ATOM 0 H2 ASN A 1 5.322 12.392 7.761 1.00 0.00 H new ATOM 0 H3 ASN A 1 4.575 13.484 6.697 1.00 0.00 H new ATOM 0 HA ASN A 1 3.577 13.076 9.435 1.00 0.00 H new ATOM 0 HB2 ASN A 1 2.782 15.040 8.162 1.00 0.00 H new ATOM 0 HB3 ASN A 1 2.301 14.006 6.831 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -0.937 14.158 8.263 1.00 0.00 H new ATOM 0 HD22 ASN A 1 0.127 14.688 6.957 1.00 0.00 H new ATOM 17 N ILE A 2 2.955 10.723 9.007 1.00 0.00 N ATOM 18 CA ILE A 2 2.489 9.361 8.822 1.00 0.00 C ATOM 19 C ILE A 2 0.998 9.270 9.137 1.00 0.00 C ATOM 20 O ILE A 2 0.566 9.598 10.246 1.00 0.00 O ATOM 21 CB ILE A 2 3.260 8.375 9.723 1.00 0.00 C ATOM 22 CG1 ILE A 2 4.765 8.629 9.628 1.00 0.00 C ATOM 23 CG2 ILE A 2 2.938 6.940 9.330 1.00 0.00 C ATOM 24 CD1 ILE A 2 5.578 7.894 10.671 1.00 0.00 C ATOM 0 H ILE A 2 3.300 10.926 9.945 1.00 0.00 H new ATOM 0 HA ILE A 2 2.665 9.089 7.781 1.00 0.00 H new ATOM 0 HB ILE A 2 2.949 8.532 10.756 1.00 0.00 H new ATOM 0 HG12 ILE A 2 5.111 8.334 8.637 1.00 0.00 H new ATOM 0 HG13 ILE A 2 4.950 9.699 9.725 1.00 0.00 H new ATOM 0 HG21 ILE A 2 3.489 6.254 9.974 1.00 0.00 H new ATOM 0 HG22 ILE A 2 1.868 6.763 9.442 1.00 0.00 H new ATOM 0 HG23 ILE A 2 3.226 6.774 8.292 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.635 8.125 10.538 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.261 8.206 11.666 1.00 0.00 H new ATOM 0 HD13 ILE A 2 5.425 6.820 10.562 1.00 0.00 H new ATOM 36 N ILE A 3 0.213 8.832 8.161 1.00 0.00 N ATOM 37 CA ILE A 3 -1.225 8.711 8.336 1.00 0.00 C ATOM 38 C ILE A 3 -1.676 7.267 8.166 1.00 0.00 C ATOM 39 O ILE A 3 -1.276 6.582 7.222 1.00 0.00 O ATOM 40 CB ILE A 3 -2.000 9.605 7.339 1.00 0.00 C ATOM 41 CG1 ILE A 3 -1.642 11.078 7.555 1.00 0.00 C ATOM 42 CG2 ILE A 3 -3.504 9.393 7.477 1.00 0.00 C ATOM 43 CD1 ILE A 3 -2.461 12.034 6.719 1.00 0.00 C ATOM 0 H ILE A 3 0.551 8.555 7.239 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.447 9.044 9.350 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.710 9.322 6.327 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.777 11.324 8.608 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.586 11.223 7.326 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.028 10.032 6.766 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.745 8.350 7.273 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.816 9.646 8.490 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.150 13.058 6.927 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.308 11.816 5.662 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.517 11.919 6.964 1.00 0.00 H new ATOM 55 N THR A 4 -2.494 6.809 9.096 1.00 0.00 N ATOM 56 CA THR A 4 -3.027 5.461 9.053 1.00 0.00 C ATOM 57 C THR A 4 -4.477 5.512 8.595 1.00 0.00 C ATOM 58 O THR A 4 -5.341 6.037 9.300 1.00 0.00 O ATOM 59 CB THR A 4 -2.937 4.786 10.434 1.00 0.00 C ATOM 60 OG1 THR A 4 -1.743 5.221 11.102 1.00 0.00 O ATOM 61 CG2 THR A 4 -2.920 3.272 10.305 1.00 0.00 C ATOM 0 H THR A 4 -2.806 7.358 9.897 1.00 0.00 H new ATOM 0 HA THR A 4 -2.436 4.872 8.351 1.00 0.00 H new ATOM 0 HB THR A 4 -3.816 5.072 11.012 1.00 0.00 H new ATOM 0 HG1 THR A 4 -1.686 4.793 11.982 1.00 0.00 H new ATOM 0 HG21 THR A 4 -2.856 2.823 11.296 1.00 0.00 H new ATOM 0 HG22 THR A 4 -3.834 2.938 9.814 1.00 0.00 H new ATOM 0 HG23 THR A 4 -2.058 2.967 9.712 1.00 0.00 H new ATOM 69 N VAL A 5 -4.741 4.998 7.404 1.00 0.00 N ATOM 70 CA VAL A 5 -6.088 5.019 6.857 1.00 0.00 C ATOM 71 C VAL A 5 -6.713 3.628 6.859 1.00 0.00 C ATOM 72 O VAL A 5 -6.025 2.623 6.677 1.00 0.00 O ATOM 73 CB VAL A 5 -6.108 5.588 5.415 1.00 0.00 C ATOM 74 CG1 VAL A 5 -5.309 6.881 5.336 1.00 0.00 C ATOM 75 CG2 VAL A 5 -5.574 4.578 4.414 1.00 0.00 C ATOM 0 H VAL A 5 -4.044 4.563 6.800 1.00 0.00 H new ATOM 0 HA VAL A 5 -6.676 5.672 7.502 1.00 0.00 H new ATOM 0 HB VAL A 5 -7.146 5.801 5.159 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.336 7.264 4.316 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -5.742 7.618 6.012 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -4.276 6.688 5.624 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -5.602 5.008 3.413 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -4.546 4.320 4.670 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -6.190 3.679 4.440 1.00 0.00 H new ATOM 85 N THR A 6 -8.013 3.572 7.096 1.00 0.00 N ATOM 86 CA THR A 6 -8.730 2.311 7.088 1.00 0.00 C ATOM 87 C THR A 6 -9.537 2.202 5.796 1.00 0.00 C ATOM 88 O THR A 6 -10.148 3.179 5.350 1.00 0.00 O ATOM 89 CB THR A 6 -9.651 2.162 8.326 1.00 0.00 C ATOM 90 OG1 THR A 6 -10.133 0.816 8.426 1.00 0.00 O ATOM 91 CG2 THR A 6 -10.831 3.121 8.268 1.00 0.00 C ATOM 0 H THR A 6 -8.593 4.387 7.296 1.00 0.00 H new ATOM 0 HA THR A 6 -8.004 1.500 7.136 1.00 0.00 H new ATOM 0 HB THR A 6 -9.057 2.406 9.206 1.00 0.00 H new ATOM 0 HG1 THR A 6 -10.712 0.733 9.212 1.00 0.00 H new ATOM 0 HG21 THR A 6 -11.453 2.986 9.153 1.00 0.00 H new ATOM 0 HG22 THR A 6 -10.465 4.147 8.235 1.00 0.00 H new ATOM 0 HG23 THR A 6 -11.422 2.917 7.375 1.00 0.00 H new ATOM 99 N LEU A 7 -9.509 1.035 5.174 1.00 0.00 N ATOM 100 CA LEU A 7 -10.231 0.827 3.932 1.00 0.00 C ATOM 101 C LEU A 7 -11.235 -0.306 4.065 1.00 0.00 C ATOM 102 O LEU A 7 -10.920 -1.375 4.599 1.00 0.00 O ATOM 103 CB LEU A 7 -9.259 0.525 2.789 1.00 0.00 C ATOM 104 CG LEU A 7 -8.232 1.622 2.497 1.00 0.00 C ATOM 105 CD1 LEU A 7 -7.286 1.177 1.400 1.00 0.00 C ATOM 106 CD2 LEU A 7 -8.922 2.924 2.113 1.00 0.00 C ATOM 0 H LEU A 7 -8.995 0.220 5.508 1.00 0.00 H new ATOM 0 HA LEU A 7 -10.773 1.745 3.706 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.726 -0.397 3.022 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.836 0.340 1.883 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.655 1.801 3.404 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.561 1.967 1.202 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.763 0.274 1.715 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.853 0.970 0.492 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.171 3.688 1.910 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.528 2.765 1.221 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -9.562 3.252 2.932 1.00 0.00 H new ATOM 118 N ASN A 8 -12.440 -0.057 3.585 1.00 0.00 N ATOM 119 CA ASN A 8 -13.504 -1.045 3.625 1.00 0.00 C ATOM 120 C ASN A 8 -13.489 -1.868 2.342 1.00 0.00 C ATOM 121 O ASN A 8 -13.714 -1.337 1.249 1.00 0.00 O ATOM 122 CB ASN A 8 -14.859 -0.355 3.800 1.00 0.00 C ATOM 123 CG ASN A 8 -16.026 -1.318 3.694 1.00 0.00 C ATOM 124 OD1 ASN A 8 -16.540 -1.577 2.604 1.00 0.00 O ATOM 125 ND2 ASN A 8 -16.453 -1.853 4.826 1.00 0.00 N ATOM 0 H ASN A 8 -12.708 0.830 3.159 1.00 0.00 H new ATOM 0 HA ASN A 8 -13.343 -1.710 4.474 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -14.888 0.138 4.772 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -14.966 0.423 3.044 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -17.236 -2.507 4.818 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -15.999 -1.612 5.707 1.00 0.00 H new ATOM 132 N MET A 9 -13.230 -3.163 2.476 1.00 0.00 N ATOM 133 CA MET A 9 -13.170 -4.056 1.324 1.00 0.00 C ATOM 134 C MET A 9 -14.499 -4.771 1.112 1.00 0.00 C ATOM 135 O MET A 9 -14.594 -5.705 0.317 1.00 0.00 O ATOM 136 CB MET A 9 -12.046 -5.078 1.496 1.00 0.00 C ATOM 137 CG MET A 9 -10.661 -4.454 1.531 1.00 0.00 C ATOM 138 SD MET A 9 -10.306 -3.453 0.071 1.00 0.00 S ATOM 139 CE MET A 9 -10.252 -4.714 -1.203 1.00 0.00 C ATOM 0 H MET A 9 -13.058 -3.619 3.372 1.00 0.00 H new ATOM 0 HA MET A 9 -12.964 -3.449 0.442 1.00 0.00 H new ATOM 0 HB2 MET A 9 -12.209 -5.634 2.419 1.00 0.00 H new ATOM 0 HB3 MET A 9 -12.091 -5.798 0.678 1.00 0.00 H new ATOM 0 HG2 MET A 9 -10.570 -3.833 2.422 1.00 0.00 H new ATOM 0 HG3 MET A 9 -9.914 -5.243 1.615 1.00 0.00 H new ATOM 0 HE1 MET A 9 -9.903 -4.273 -2.137 1.00 0.00 H new ATOM 0 HE2 MET A 9 -9.570 -5.509 -0.900 1.00 0.00 H new ATOM 0 HE3 MET A 9 -11.250 -5.128 -1.348 1.00 0.00 H new ATOM 149 N GLU A 10 -15.521 -4.336 1.836 1.00 0.00 N ATOM 150 CA GLU A 10 -16.850 -4.920 1.707 1.00 0.00 C ATOM 151 C GLU A 10 -17.560 -4.330 0.495 1.00 0.00 C ATOM 152 O GLU A 10 -18.282 -5.023 -0.222 1.00 0.00 O ATOM 153 CB GLU A 10 -17.670 -4.672 2.976 1.00 0.00 C ATOM 154 CG GLU A 10 -17.118 -5.382 4.202 1.00 0.00 C ATOM 155 CD GLU A 10 -17.212 -6.891 4.102 1.00 0.00 C ATOM 156 OE1 GLU A 10 -16.329 -7.510 3.475 1.00 0.00 O ATOM 157 OE2 GLU A 10 -18.170 -7.466 4.655 1.00 0.00 O ATOM 0 H GLU A 10 -15.456 -3.581 2.519 1.00 0.00 H new ATOM 0 HA GLU A 10 -16.748 -5.996 1.569 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -17.707 -3.600 3.172 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -18.696 -5.000 2.807 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -16.075 -5.097 4.342 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -17.662 -5.047 5.085 1.00 0.00 H new ATOM 164 N ARG A 11 -17.341 -3.042 0.268 1.00 0.00 N ATOM 165 CA ARG A 11 -17.941 -2.355 -0.867 1.00 0.00 C ATOM 166 C ARG A 11 -16.865 -1.996 -1.895 1.00 0.00 C ATOM 167 O ARG A 11 -17.089 -1.193 -2.802 1.00 0.00 O ATOM 168 CB ARG A 11 -18.672 -1.091 -0.400 1.00 0.00 C ATOM 169 CG ARG A 11 -19.621 -0.517 -1.441 1.00 0.00 C ATOM 170 CD ARG A 11 -19.983 0.927 -1.142 1.00 0.00 C ATOM 171 NE ARG A 11 -20.497 1.620 -2.322 1.00 0.00 N ATOM 172 CZ ARG A 11 -20.474 2.943 -2.475 1.00 0.00 C ATOM 173 NH1 ARG A 11 -20.013 3.721 -1.502 1.00 0.00 N ATOM 174 NH2 ARG A 11 -20.927 3.492 -3.592 1.00 0.00 N ATOM 0 H ARG A 11 -16.752 -2.452 0.855 1.00 0.00 H new ATOM 0 HA ARG A 11 -18.665 -3.022 -1.335 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -19.234 -1.320 0.505 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -17.936 -0.333 -0.134 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -19.159 -0.579 -2.426 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -20.529 -1.119 -1.476 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -20.731 0.956 -0.350 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -19.103 1.451 -0.769 1.00 0.00 H new ATOM 0 HE ARG A 11 -20.897 1.057 -3.073 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -19.675 3.306 -0.634 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -19.997 4.734 -1.623 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -21.295 2.901 -4.338 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -20.908 4.505 -3.706 1.00 0.00 H new ATOM 188 N HIS A 12 -15.689 -2.591 -1.748 1.00 0.00 N ATOM 189 CA HIS A 12 -14.582 -2.328 -2.659 1.00 0.00 C ATOM 190 C HIS A 12 -13.849 -3.617 -2.989 1.00 0.00 C ATOM 191 O HIS A 12 -13.579 -4.425 -2.106 1.00 0.00 O ATOM 192 CB HIS A 12 -13.608 -1.314 -2.054 1.00 0.00 C ATOM 193 CG HIS A 12 -14.158 0.078 -1.997 1.00 0.00 C ATOM 194 ND1 HIS A 12 -14.338 0.770 -0.817 1.00 0.00 N ATOM 195 CD2 HIS A 12 -14.575 0.908 -2.983 1.00 0.00 C ATOM 196 CE1 HIS A 12 -14.847 1.959 -1.081 1.00 0.00 C ATOM 197 NE2 HIS A 12 -15.001 2.069 -2.387 1.00 0.00 N ATOM 0 H HIS A 12 -15.476 -3.259 -1.007 1.00 0.00 H new ATOM 0 HA HIS A 12 -14.993 -1.909 -3.577 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -13.342 -1.633 -1.046 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -12.689 -1.310 -2.640 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -14.113 0.418 0.114 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -14.573 0.696 -4.042 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -15.096 2.715 -0.351 1.00 0.00 H new ATOM 206 N HIS A 13 -13.544 -3.813 -4.262 1.00 0.00 N ATOM 207 CA HIS A 13 -12.843 -5.011 -4.696 1.00 0.00 C ATOM 208 C HIS A 13 -11.346 -4.753 -4.815 1.00 0.00 C ATOM 209 O HIS A 13 -10.537 -5.664 -4.648 1.00 0.00 O ATOM 210 CB HIS A 13 -13.394 -5.508 -6.035 1.00 0.00 C ATOM 211 CG HIS A 13 -14.701 -6.230 -5.915 1.00 0.00 C ATOM 212 ND1 HIS A 13 -14.866 -7.367 -5.154 1.00 0.00 N ATOM 213 CD2 HIS A 13 -15.911 -5.971 -6.464 1.00 0.00 C ATOM 214 CE1 HIS A 13 -16.119 -7.772 -5.237 1.00 0.00 C ATOM 215 NE2 HIS A 13 -16.774 -6.942 -6.024 1.00 0.00 N ATOM 0 H HIS A 13 -13.770 -3.159 -5.012 1.00 0.00 H new ATOM 0 HA HIS A 13 -13.005 -5.781 -3.942 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -13.519 -4.657 -6.705 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -12.663 -6.172 -6.495 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -16.152 -5.152 -7.126 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -16.537 -8.637 -4.744 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -17.762 -7.011 -6.266 1.00 0.00 H new ATOM 224 N PHE A 14 -10.979 -3.510 -5.095 1.00 0.00 N ATOM 225 CA PHE A 14 -9.574 -3.151 -5.238 1.00 0.00 C ATOM 226 C PHE A 14 -9.272 -1.823 -4.549 1.00 0.00 C ATOM 227 O PHE A 14 -10.183 -1.067 -4.204 1.00 0.00 O ATOM 228 CB PHE A 14 -9.171 -3.101 -6.720 1.00 0.00 C ATOM 229 CG PHE A 14 -9.985 -2.156 -7.563 1.00 0.00 C ATOM 230 CD1 PHE A 14 -11.256 -2.507 -7.999 1.00 0.00 C ATOM 231 CD2 PHE A 14 -9.475 -0.921 -7.926 1.00 0.00 C ATOM 232 CE1 PHE A 14 -11.998 -1.643 -8.780 1.00 0.00 C ATOM 233 CE2 PHE A 14 -10.212 -0.054 -8.709 1.00 0.00 C ATOM 234 CZ PHE A 14 -11.476 -0.415 -9.134 1.00 0.00 C ATOM 0 H PHE A 14 -11.631 -2.736 -5.227 1.00 0.00 H new ATOM 0 HA PHE A 14 -8.980 -3.924 -4.749 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.122 -2.814 -6.787 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.255 -4.104 -7.139 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -11.669 -3.466 -7.724 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.489 -0.632 -7.593 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -12.985 -1.928 -9.113 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -9.801 0.905 -8.989 1.00 0.00 H new ATOM 0 HZ PHE A 14 -12.055 0.263 -9.743 1.00 0.00 H new ATOM 244 N LEU A 15 -7.993 -1.551 -4.343 1.00 0.00 N ATOM 245 CA LEU A 15 -7.562 -0.329 -3.682 1.00 0.00 C ATOM 246 C LEU A 15 -7.381 0.802 -4.691 1.00 0.00 C ATOM 247 O LEU A 15 -7.675 1.960 -4.392 1.00 0.00 O ATOM 248 CB LEU A 15 -6.250 -0.566 -2.930 1.00 0.00 C ATOM 249 CG LEU A 15 -6.222 -1.798 -2.022 1.00 0.00 C ATOM 250 CD1 LEU A 15 -4.840 -1.980 -1.417 1.00 0.00 C ATOM 251 CD2 LEU A 15 -7.268 -1.685 -0.929 1.00 0.00 C ATOM 0 H LEU A 15 -7.230 -2.165 -4.627 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.336 -0.040 -2.971 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.445 -0.656 -3.659 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.035 0.314 -2.325 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.455 -2.674 -2.628 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.837 -2.860 -0.774 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.108 -2.111 -2.214 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.582 -1.100 -0.828 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -7.230 -2.571 -0.296 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.069 -0.799 -0.326 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.257 -1.603 -1.379 1.00 0.00 H new ATOM 263 N GLY A 16 -6.913 0.455 -5.881 1.00 0.00 N ATOM 264 CA GLY A 16 -6.691 1.444 -6.916 1.00 0.00 C ATOM 265 C GLY A 16 -5.442 2.274 -6.678 1.00 0.00 C ATOM 266 O GLY A 16 -5.499 3.497 -6.715 1.00 0.00 O ATOM 0 H GLY A 16 -6.681 -0.501 -6.150 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.610 0.942 -7.880 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.556 2.105 -6.972 1.00 0.00 H new ATOM 270 N ILE A 17 -4.316 1.607 -6.446 1.00 0.00 N ATOM 271 CA ILE A 17 -3.038 2.288 -6.197 1.00 0.00 C ATOM 272 C ILE A 17 -1.875 1.388 -6.584 1.00 0.00 C ATOM 273 O ILE A 17 -1.557 0.443 -5.865 1.00 0.00 O ATOM 274 CB ILE A 17 -2.855 2.689 -4.714 1.00 0.00 C ATOM 275 CG1 ILE A 17 -3.555 1.692 -3.791 1.00 0.00 C ATOM 276 CG2 ILE A 17 -3.359 4.099 -4.472 1.00 0.00 C ATOM 277 CD1 ILE A 17 -2.857 1.510 -2.459 1.00 0.00 C ATOM 0 H ILE A 17 -4.257 0.589 -6.424 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.053 3.193 -6.805 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.789 2.668 -4.485 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -4.577 2.028 -3.614 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.619 0.727 -4.294 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -3.220 4.360 -3.423 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.801 4.797 -5.096 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -4.418 4.155 -4.723 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -3.408 0.789 -1.855 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.844 1.144 -2.626 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.816 2.466 -1.936 1.00 0.00 H new ATOM 289 N SER A 18 -1.245 1.663 -7.719 1.00 0.00 N ATOM 290 CA SER A 18 -0.135 0.836 -8.168 1.00 0.00 C ATOM 291 C SER A 18 1.095 1.065 -7.299 1.00 0.00 C ATOM 292 O SER A 18 1.459 2.203 -6.991 1.00 0.00 O ATOM 293 CB SER A 18 0.161 1.072 -9.655 1.00 0.00 C ATOM 294 OG SER A 18 0.691 2.368 -9.886 1.00 0.00 O ATOM 0 H SER A 18 -1.479 2.440 -8.337 1.00 0.00 H new ATOM 0 HA SER A 18 -0.420 -0.211 -8.060 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.868 0.322 -10.009 1.00 0.00 H new ATOM 0 HB3 SER A 18 -0.754 0.945 -10.233 1.00 0.00 H new ATOM 0 HG SER A 18 0.869 2.483 -10.843 1.00 0.00 H new ATOM 300 N ILE A 19 1.712 -0.027 -6.878 1.00 0.00 N ATOM 301 CA ILE A 19 2.883 0.036 -6.025 1.00 0.00 C ATOM 302 C ILE A 19 4.160 0.134 -6.847 1.00 0.00 C ATOM 303 O ILE A 19 4.432 -0.720 -7.694 1.00 0.00 O ATOM 304 CB ILE A 19 2.967 -1.201 -5.106 1.00 0.00 C ATOM 305 CG1 ILE A 19 1.594 -1.529 -4.503 1.00 0.00 C ATOM 306 CG2 ILE A 19 3.986 -0.969 -4.004 1.00 0.00 C ATOM 307 CD1 ILE A 19 0.989 -0.394 -3.705 1.00 0.00 C ATOM 0 H ILE A 19 1.417 -0.974 -7.117 1.00 0.00 H new ATOM 0 HA ILE A 19 2.784 0.933 -5.413 1.00 0.00 H new ATOM 0 HB ILE A 19 3.286 -2.052 -5.707 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.910 -1.800 -5.307 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.690 -2.403 -3.858 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.035 -1.849 -3.363 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.965 -0.787 -4.446 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.690 -0.104 -3.411 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.020 -0.702 -3.311 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.651 -0.137 -2.878 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.859 0.475 -4.350 1.00 0.00 H new ATOM 319 N VAL A 20 4.933 1.182 -6.600 1.00 0.00 N ATOM 320 CA VAL A 20 6.190 1.394 -7.295 1.00 0.00 C ATOM 321 C VAL A 20 7.346 1.345 -6.300 1.00 0.00 C ATOM 322 O VAL A 20 7.498 2.239 -5.464 1.00 0.00 O ATOM 323 CB VAL A 20 6.206 2.745 -8.042 1.00 0.00 C ATOM 324 CG1 VAL A 20 7.492 2.910 -8.841 1.00 0.00 C ATOM 325 CG2 VAL A 20 4.990 2.868 -8.950 1.00 0.00 C ATOM 0 H VAL A 20 4.706 1.904 -5.916 1.00 0.00 H new ATOM 0 HA VAL A 20 6.302 0.599 -8.033 1.00 0.00 H new ATOM 0 HB VAL A 20 6.165 3.543 -7.301 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.479 3.870 -9.358 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.347 2.873 -8.166 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.572 2.105 -9.572 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.018 3.827 -9.468 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.999 2.060 -9.681 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.081 2.806 -8.351 1.00 0.00 H new ATOM 335 N GLY A 21 8.139 0.285 -6.374 1.00 0.00 N ATOM 336 CA GLY A 21 9.256 0.131 -5.467 1.00 0.00 C ATOM 337 C GLY A 21 10.470 0.913 -5.912 1.00 0.00 C ATOM 338 O GLY A 21 10.836 0.882 -7.087 1.00 0.00 O ATOM 0 H GLY A 21 8.027 -0.472 -7.048 1.00 0.00 H new ATOM 0 HA2 GLY A 21 8.960 0.460 -4.471 1.00 0.00 H new ATOM 0 HA3 GLY A 21 9.515 -0.925 -5.390 1.00 0.00 H new ATOM 342 N GLN A 22 11.085 1.620 -4.977 1.00 0.00 N ATOM 343 CA GLN A 22 12.272 2.408 -5.270 1.00 0.00 C ATOM 344 C GLN A 22 13.511 1.530 -5.223 1.00 0.00 C ATOM 345 O GLN A 22 13.947 1.093 -4.153 1.00 0.00 O ATOM 346 CB GLN A 22 12.417 3.570 -4.283 1.00 0.00 C ATOM 347 CG GLN A 22 13.660 4.419 -4.526 1.00 0.00 C ATOM 348 CD GLN A 22 13.748 5.623 -3.608 1.00 0.00 C ATOM 349 OE1 GLN A 22 14.313 6.652 -3.976 1.00 0.00 O ATOM 350 NE2 GLN A 22 13.203 5.509 -2.409 1.00 0.00 N ATOM 0 H GLN A 22 10.780 1.664 -4.005 1.00 0.00 H new ATOM 0 HA GLN A 22 12.164 2.821 -6.273 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.534 4.205 -4.349 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.450 3.173 -3.268 1.00 0.00 H new ATOM 0 HG2 GLN A 22 14.547 3.801 -4.390 1.00 0.00 H new ATOM 0 HG3 GLN A 22 13.664 4.758 -5.562 1.00 0.00 H new ATOM 0 HE21 GLN A 22 12.743 4.640 -2.139 1.00 0.00 H new ATOM 0 HE22 GLN A 22 13.243 6.290 -1.754 1.00 0.00 H new ATOM 359 N SER A 23 14.060 1.264 -6.387 1.00 0.00 N ATOM 360 CA SER A 23 15.249 0.448 -6.506 1.00 0.00 C ATOM 361 C SER A 23 16.466 1.337 -6.734 1.00 0.00 C ATOM 362 O SER A 23 16.406 2.301 -7.502 1.00 0.00 O ATOM 363 CB SER A 23 15.084 -0.541 -7.661 1.00 0.00 C ATOM 364 OG SER A 23 13.723 -0.908 -7.820 1.00 0.00 O ATOM 0 H SER A 23 13.696 1.606 -7.276 1.00 0.00 H new ATOM 0 HA SER A 23 15.396 -0.113 -5.583 1.00 0.00 H new ATOM 0 HB2 SER A 23 15.455 -0.095 -8.584 1.00 0.00 H new ATOM 0 HB3 SER A 23 15.685 -1.430 -7.473 1.00 0.00 H new ATOM 0 HG SER A 23 13.639 -1.539 -8.565 1.00 0.00 H new ATOM 370 N ASN A 24 17.561 1.022 -6.058 1.00 0.00 N ATOM 371 CA ASN A 24 18.787 1.799 -6.184 1.00 0.00 C ATOM 372 C ASN A 24 19.996 0.906 -5.927 1.00 0.00 C ATOM 373 O ASN A 24 19.856 -0.317 -5.846 1.00 0.00 O ATOM 374 CB ASN A 24 18.771 2.977 -5.208 1.00 0.00 C ATOM 375 CG ASN A 24 19.547 4.178 -5.717 1.00 0.00 C ATOM 376 OD1 ASN A 24 20.417 4.052 -6.577 1.00 0.00 O ATOM 377 ND2 ASN A 24 19.239 5.351 -5.186 1.00 0.00 N ATOM 0 H ASN A 24 17.626 0.233 -5.415 1.00 0.00 H new ATOM 0 HA ASN A 24 18.854 2.195 -7.197 1.00 0.00 H new ATOM 0 HB2 ASN A 24 17.739 3.272 -5.019 1.00 0.00 H new ATOM 0 HB3 ASN A 24 19.191 2.657 -4.254 1.00 0.00 H new ATOM 0 HD21 ASN A 24 19.730 6.192 -5.488 1.00 0.00 H new ATOM 0 HD22 ASN A 24 18.511 5.413 -4.475 1.00 0.00 H new ATOM 384 N ASP A 25 21.173 1.511 -5.799 1.00 0.00 N ATOM 385 CA ASP A 25 22.402 0.765 -5.550 1.00 0.00 C ATOM 386 C ASP A 25 22.304 -0.009 -4.241 1.00 0.00 C ATOM 387 O ASP A 25 22.812 -1.123 -4.125 1.00 0.00 O ATOM 388 CB ASP A 25 23.602 1.710 -5.509 1.00 0.00 C ATOM 389 CG ASP A 25 24.388 1.714 -6.808 1.00 0.00 C ATOM 390 OD1 ASP A 25 23.765 1.633 -7.888 1.00 0.00 O ATOM 391 OD2 ASP A 25 25.635 1.801 -6.757 1.00 0.00 O ATOM 0 H ASP A 25 21.302 2.521 -5.864 1.00 0.00 H new ATOM 0 HA ASP A 25 22.540 0.056 -6.366 1.00 0.00 H new ATOM 0 HB2 ASP A 25 23.256 2.721 -5.295 1.00 0.00 H new ATOM 0 HB3 ASP A 25 24.261 1.419 -4.691 1.00 0.00 H new ATOM 396 N ARG A 26 21.643 0.594 -3.262 1.00 0.00 N ATOM 397 CA ARG A 26 21.460 -0.034 -1.963 1.00 0.00 C ATOM 398 C ARG A 26 20.377 -1.109 -2.041 1.00 0.00 C ATOM 399 O ARG A 26 20.661 -2.295 -1.884 1.00 0.00 O ATOM 400 CB ARG A 26 21.108 1.016 -0.903 1.00 0.00 C ATOM 401 CG ARG A 26 22.284 1.890 -0.499 1.00 0.00 C ATOM 402 CD ARG A 26 23.272 1.127 0.366 1.00 0.00 C ATOM 403 NE ARG A 26 24.497 1.886 0.602 1.00 0.00 N ATOM 404 CZ ARG A 26 24.696 2.668 1.665 1.00 0.00 C ATOM 405 NH1 ARG A 26 23.742 2.812 2.582 1.00 0.00 N ATOM 406 NH2 ARG A 26 25.852 3.308 1.812 1.00 0.00 N ATOM 0 H ARG A 26 21.224 1.520 -3.345 1.00 0.00 H new ATOM 0 HA ARG A 26 22.396 -0.510 -1.672 1.00 0.00 H new ATOM 0 HB2 ARG A 26 20.308 1.651 -1.284 1.00 0.00 H new ATOM 0 HB3 ARG A 26 20.720 0.511 -0.018 1.00 0.00 H new ATOM 0 HG2 ARG A 26 22.789 2.258 -1.392 1.00 0.00 H new ATOM 0 HG3 ARG A 26 21.921 2.762 0.044 1.00 0.00 H new ATOM 0 HD2 ARG A 26 22.806 0.886 1.321 1.00 0.00 H new ATOM 0 HD3 ARG A 26 23.519 0.181 -0.116 1.00 0.00 H new ATOM 0 HE ARG A 26 25.246 1.814 -0.087 1.00 0.00 H new ATOM 0 HH11 ARG A 26 22.853 2.323 2.474 1.00 0.00 H new ATOM 0 HH12 ARG A 26 23.900 3.411 3.392 1.00 0.00 H new ATOM 0 HH21 ARG A 26 26.587 3.201 1.112 1.00 0.00 H new ATOM 0 HH22 ARG A 26 26.004 3.906 2.624 1.00 0.00 H new ATOM 420 N GLY A 27 19.140 -0.694 -2.293 1.00 0.00 N ATOM 421 CA GLY A 27 18.044 -1.641 -2.398 1.00 0.00 C ATOM 422 C GLY A 27 16.888 -1.325 -1.469 1.00 0.00 C ATOM 423 O GLY A 27 15.729 -1.549 -1.817 1.00 0.00 O ATOM 0 H GLY A 27 18.876 0.282 -2.427 1.00 0.00 H new ATOM 0 HA2 GLY A 27 17.682 -1.655 -3.426 1.00 0.00 H new ATOM 0 HA3 GLY A 27 18.415 -2.642 -2.178 1.00 0.00 H new ATOM 427 N ASP A 28 17.192 -0.777 -0.304 1.00 0.00 N ATOM 428 CA ASP A 28 16.165 -0.443 0.681 1.00 0.00 C ATOM 429 C ASP A 28 15.512 0.906 0.373 1.00 0.00 C ATOM 430 O ASP A 28 15.450 1.795 1.222 1.00 0.00 O ATOM 431 CB ASP A 28 16.763 -0.443 2.099 1.00 0.00 C ATOM 432 CG ASP A 28 17.870 0.581 2.290 1.00 0.00 C ATOM 433 OD1 ASP A 28 18.879 0.530 1.551 1.00 0.00 O ATOM 434 OD2 ASP A 28 17.743 1.439 3.188 1.00 0.00 O ATOM 0 H ASP A 28 18.143 -0.552 -0.013 1.00 0.00 H new ATOM 0 HA ASP A 28 15.389 -1.206 0.627 1.00 0.00 H new ATOM 0 HB2 ASP A 28 15.969 -0.247 2.820 1.00 0.00 H new ATOM 0 HB3 ASP A 28 17.155 -1.436 2.319 1.00 0.00 H new ATOM 439 N GLY A 29 15.009 1.047 -0.850 1.00 0.00 N ATOM 440 CA GLY A 29 14.369 2.284 -1.257 1.00 0.00 C ATOM 441 C GLY A 29 12.964 2.428 -0.708 1.00 0.00 C ATOM 442 O GLY A 29 12.555 3.521 -0.315 1.00 0.00 O ATOM 0 H GLY A 29 15.034 0.323 -1.568 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.973 3.127 -0.922 1.00 0.00 H new ATOM 0 HA3 GLY A 29 14.335 2.329 -2.346 1.00 0.00 H new ATOM 446 N GLY A 30 12.225 1.328 -0.691 1.00 0.00 N ATOM 447 CA GLY A 30 10.868 1.355 -0.182 1.00 0.00 C ATOM 448 C GLY A 30 9.844 1.440 -1.296 1.00 0.00 C ATOM 449 O GLY A 30 10.169 1.823 -2.420 1.00 0.00 O ATOM 0 H GLY A 30 12.541 0.416 -1.021 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.685 0.458 0.410 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.748 2.208 0.486 1.00 0.00 H new ATOM 453 N ILE A 31 8.601 1.094 -0.991 1.00 0.00 N ATOM 454 CA ILE A 31 7.541 1.132 -1.986 1.00 0.00 C ATOM 455 C ILE A 31 6.721 2.410 -1.873 1.00 0.00 C ATOM 456 O ILE A 31 6.304 2.807 -0.780 1.00 0.00 O ATOM 457 CB ILE A 31 6.609 -0.093 -1.881 1.00 0.00 C ATOM 458 CG1 ILE A 31 6.245 -0.382 -0.418 1.00 0.00 C ATOM 459 CG2 ILE A 31 7.267 -1.305 -2.526 1.00 0.00 C ATOM 460 CD1 ILE A 31 5.131 -1.397 -0.262 1.00 0.00 C ATOM 0 H ILE A 31 8.304 0.785 -0.066 1.00 0.00 H new ATOM 0 HA ILE A 31 8.029 1.109 -2.960 1.00 0.00 H new ATOM 0 HB ILE A 31 5.684 0.127 -2.415 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.131 -0.743 0.104 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.948 0.549 0.065 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.602 -2.165 -2.447 1.00 0.00 H new ATOM 0 HG22 ILE A 31 7.466 -1.095 -3.577 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.205 -1.524 -2.016 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.926 -1.553 0.797 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.231 -1.029 -0.755 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.433 -2.341 -0.716 1.00 0.00 H new ATOM 472 N TYR A 32 6.500 3.055 -3.010 1.00 0.00 N ATOM 473 CA TYR A 32 5.740 4.299 -3.060 1.00 0.00 C ATOM 474 C TYR A 32 4.494 4.136 -3.924 1.00 0.00 C ATOM 475 O TYR A 32 4.440 3.259 -4.789 1.00 0.00 O ATOM 476 CB TYR A 32 6.600 5.434 -3.625 1.00 0.00 C ATOM 477 CG TYR A 32 7.762 5.829 -2.742 1.00 0.00 C ATOM 478 CD1 TYR A 32 8.902 5.042 -2.669 1.00 0.00 C ATOM 479 CD2 TYR A 32 7.715 6.987 -1.980 1.00 0.00 C ATOM 480 CE1 TYR A 32 9.961 5.394 -1.858 1.00 0.00 C ATOM 481 CE2 TYR A 32 8.773 7.349 -1.169 1.00 0.00 C ATOM 482 CZ TYR A 32 9.892 6.548 -1.111 1.00 0.00 C ATOM 483 OH TYR A 32 10.941 6.898 -0.292 1.00 0.00 O ATOM 0 H TYR A 32 6.839 2.735 -3.917 1.00 0.00 H new ATOM 0 HA TYR A 32 5.440 4.546 -2.042 1.00 0.00 H new ATOM 0 HB2 TYR A 32 6.985 5.133 -4.599 1.00 0.00 H new ATOM 0 HB3 TYR A 32 5.968 6.307 -3.787 1.00 0.00 H new ATOM 0 HD1 TYR A 32 8.962 4.138 -3.257 1.00 0.00 H new ATOM 0 HD2 TYR A 32 6.838 7.615 -2.021 1.00 0.00 H new ATOM 0 HE1 TYR A 32 10.839 4.768 -1.809 1.00 0.00 H new ATOM 0 HE2 TYR A 32 8.723 8.255 -0.584 1.00 0.00 H new ATOM 0 HH TYR A 32 10.792 6.532 0.605 1.00 0.00 H new ATOM 493 N ILE A 33 3.498 4.977 -3.679 1.00 0.00 N ATOM 494 CA ILE A 33 2.257 4.948 -4.446 1.00 0.00 C ATOM 495 C ILE A 33 2.475 5.570 -5.824 1.00 0.00 C ATOM 496 O ILE A 33 2.842 6.741 -5.935 1.00 0.00 O ATOM 497 CB ILE A 33 1.122 5.707 -3.713 1.00 0.00 C ATOM 498 CG1 ILE A 33 0.837 5.067 -2.350 1.00 0.00 C ATOM 499 CG2 ILE A 33 -0.145 5.752 -4.560 1.00 0.00 C ATOM 500 CD1 ILE A 33 0.528 3.586 -2.423 1.00 0.00 C ATOM 0 H ILE A 33 3.525 5.692 -2.952 1.00 0.00 H new ATOM 0 HA ILE A 33 1.960 3.905 -4.556 1.00 0.00 H new ATOM 0 HB ILE A 33 1.454 6.732 -3.551 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.700 5.217 -1.701 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.004 5.582 -1.886 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.924 6.290 -4.021 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.064 6.262 -5.500 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.482 4.736 -4.765 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.337 3.204 -1.420 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.353 3.428 -3.045 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.377 3.058 -2.857 1.00 0.00 H new ATOM 512 N GLY A 34 2.257 4.781 -6.865 1.00 0.00 N ATOM 513 CA GLY A 34 2.449 5.256 -8.220 1.00 0.00 C ATOM 514 C GLY A 34 1.235 5.963 -8.781 1.00 0.00 C ATOM 515 O GLY A 34 1.128 7.188 -8.702 1.00 0.00 O ATOM 0 H GLY A 34 1.948 3.812 -6.794 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.300 5.936 -8.242 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.699 4.411 -8.862 1.00 0.00 H new ATOM 519 N SER A 35 0.315 5.198 -9.347 1.00 0.00 N ATOM 520 CA SER A 35 -0.884 5.768 -9.941 1.00 0.00 C ATOM 521 C SER A 35 -2.142 5.304 -9.213 1.00 0.00 C ATOM 522 O SER A 35 -2.272 4.127 -8.866 1.00 0.00 O ATOM 523 CB SER A 35 -0.962 5.384 -11.419 1.00 0.00 C ATOM 524 OG SER A 35 0.319 5.440 -12.019 1.00 0.00 O ATOM 0 H SER A 35 0.375 4.182 -9.408 1.00 0.00 H new ATOM 0 HA SER A 35 -0.825 6.852 -9.848 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.371 4.379 -11.517 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.643 6.058 -11.939 1.00 0.00 H new ATOM 0 HG SER A 35 0.249 5.189 -12.964 1.00 0.00 H new ATOM 530 N ILE A 36 -3.054 6.239 -8.978 1.00 0.00 N ATOM 531 CA ILE A 36 -4.317 5.943 -8.312 1.00 0.00 C ATOM 532 C ILE A 36 -5.402 5.679 -9.352 1.00 0.00 C ATOM 533 O ILE A 36 -5.468 6.364 -10.373 1.00 0.00 O ATOM 534 CB ILE A 36 -4.758 7.103 -7.387 1.00 0.00 C ATOM 535 CG1 ILE A 36 -3.713 7.328 -6.290 1.00 0.00 C ATOM 536 CG2 ILE A 36 -6.129 6.822 -6.770 1.00 0.00 C ATOM 537 CD1 ILE A 36 -4.057 8.453 -5.343 1.00 0.00 C ATOM 0 H ILE A 36 -2.941 7.218 -9.242 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.169 5.056 -7.696 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.840 8.009 -7.988 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.596 6.407 -5.718 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.750 7.539 -6.756 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.415 7.653 -6.125 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -6.868 6.707 -7.563 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.082 5.905 -6.182 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.271 8.552 -4.595 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.145 9.385 -5.902 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.004 8.236 -4.848 1.00 0.00 H new ATOM 549 N MET A 37 -6.244 4.687 -9.101 1.00 0.00 N ATOM 550 CA MET A 37 -7.313 4.344 -10.028 1.00 0.00 C ATOM 551 C MET A 37 -8.670 4.642 -9.412 1.00 0.00 C ATOM 552 O MET A 37 -8.984 4.163 -8.320 1.00 0.00 O ATOM 553 CB MET A 37 -7.238 2.866 -10.420 1.00 0.00 C ATOM 554 CG MET A 37 -5.926 2.482 -11.078 1.00 0.00 C ATOM 555 SD MET A 37 -5.599 3.408 -12.590 1.00 0.00 S ATOM 556 CE MET A 37 -3.835 3.147 -12.761 1.00 0.00 C ATOM 0 H MET A 37 -6.208 4.106 -8.264 1.00 0.00 H new ATOM 0 HA MET A 37 -7.188 4.952 -10.924 1.00 0.00 H new ATOM 0 HB2 MET A 37 -7.382 2.254 -9.530 1.00 0.00 H new ATOM 0 HB3 MET A 37 -8.058 2.636 -11.101 1.00 0.00 H new ATOM 0 HG2 MET A 37 -5.111 2.647 -10.374 1.00 0.00 H new ATOM 0 HG3 MET A 37 -5.939 1.416 -11.307 1.00 0.00 H new ATOM 0 HE1 MET A 37 -3.384 4.013 -13.245 1.00 0.00 H new ATOM 0 HE2 MET A 37 -3.390 3.009 -11.775 1.00 0.00 H new ATOM 0 HE3 MET A 37 -3.656 2.259 -13.367 1.00 0.00 H new ATOM 566 N LYS A 38 -9.465 5.438 -10.116 1.00 0.00 N ATOM 567 CA LYS A 38 -10.797 5.801 -9.657 1.00 0.00 C ATOM 568 C LYS A 38 -11.657 4.549 -9.506 1.00 0.00 C ATOM 569 O LYS A 38 -11.705 3.709 -10.408 1.00 0.00 O ATOM 570 CB LYS A 38 -11.450 6.772 -10.646 1.00 0.00 C ATOM 571 CG LYS A 38 -12.725 7.419 -10.132 1.00 0.00 C ATOM 572 CD LYS A 38 -12.427 8.506 -9.112 1.00 0.00 C ATOM 573 CE LYS A 38 -13.683 9.264 -8.719 1.00 0.00 C ATOM 574 NZ LYS A 38 -14.636 8.410 -7.965 1.00 0.00 N ATOM 0 H LYS A 38 -9.206 5.847 -11.014 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.714 6.291 -8.687 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.734 7.555 -10.896 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.674 6.237 -11.569 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.280 7.845 -10.968 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -13.363 6.659 -9.680 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.978 8.060 -8.225 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.696 9.201 -9.524 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.410 10.127 -8.111 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -14.171 9.647 -9.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -15.448 8.983 -7.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.969 7.638 -8.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.159 8.010 -7.132 1.00 0.00 H new ATOM 588 N GLY A 39 -12.312 4.422 -8.359 1.00 0.00 N ATOM 589 CA GLY A 39 -13.153 3.271 -8.104 1.00 0.00 C ATOM 590 C GLY A 39 -12.587 2.392 -7.010 1.00 0.00 C ATOM 591 O GLY A 39 -13.286 1.540 -6.458 1.00 0.00 O ATOM 0 H GLY A 39 -12.275 5.100 -7.598 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -14.151 3.606 -7.821 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -13.259 2.689 -9.019 1.00 0.00 H new ATOM 595 N GLY A 40 -11.318 2.601 -6.692 1.00 0.00 N ATOM 596 CA GLY A 40 -10.675 1.818 -5.658 1.00 0.00 C ATOM 597 C GLY A 40 -10.952 2.350 -4.265 1.00 0.00 C ATOM 598 O GLY A 40 -11.408 3.483 -4.105 1.00 0.00 O ATOM 0 H GLY A 40 -10.721 3.301 -7.133 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.018 0.785 -5.723 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.599 1.808 -5.832 1.00 0.00 H new ATOM 602 N ALA A 41 -10.666 1.533 -3.259 1.00 0.00 N ATOM 603 CA ALA A 41 -10.886 1.910 -1.867 1.00 0.00 C ATOM 604 C ALA A 41 -10.089 3.155 -1.488 1.00 0.00 C ATOM 605 O ALA A 41 -10.566 4.002 -0.731 1.00 0.00 O ATOM 606 CB ALA A 41 -10.536 0.754 -0.946 1.00 0.00 C ATOM 0 H ALA A 41 -10.278 0.598 -3.382 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.943 2.148 -1.751 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.705 1.050 0.089 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.163 -0.105 -1.185 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.488 0.486 -1.080 1.00 0.00 H new ATOM 612 N VAL A 42 -8.882 3.272 -2.030 1.00 0.00 N ATOM 613 CA VAL A 42 -8.029 4.419 -1.744 1.00 0.00 C ATOM 614 C VAL A 42 -8.568 5.669 -2.426 1.00 0.00 C ATOM 615 O VAL A 42 -8.532 6.766 -1.860 1.00 0.00 O ATOM 616 CB VAL A 42 -6.574 4.165 -2.187 1.00 0.00 C ATOM 617 CG1 VAL A 42 -5.743 5.436 -2.077 1.00 0.00 C ATOM 618 CG2 VAL A 42 -5.957 3.058 -1.350 1.00 0.00 C ATOM 0 H VAL A 42 -8.473 2.589 -2.668 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.034 4.570 -0.665 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.584 3.854 -3.232 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.721 5.231 -2.395 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.173 6.208 -2.714 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.739 5.780 -1.043 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.930 2.888 -1.672 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.964 3.349 -0.300 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.534 2.142 -1.477 1.00 0.00 H new ATOM 628 N ALA A 43 -9.097 5.493 -3.629 1.00 0.00 N ATOM 629 CA ALA A 43 -9.657 6.602 -4.388 1.00 0.00 C ATOM 630 C ALA A 43 -10.933 7.109 -3.722 1.00 0.00 C ATOM 631 O ALA A 43 -11.403 8.212 -3.999 1.00 0.00 O ATOM 632 CB ALA A 43 -9.929 6.173 -5.819 1.00 0.00 C ATOM 0 H ALA A 43 -9.150 4.590 -4.101 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.934 7.418 -4.406 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.348 7.011 -6.377 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -8.997 5.855 -6.287 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -10.638 5.345 -5.822 1.00 0.00 H new ATOM 638 N ALA A 44 -11.490 6.288 -2.842 1.00 0.00 N ATOM 639 CA ALA A 44 -12.696 6.643 -2.112 1.00 0.00 C ATOM 640 C ALA A 44 -12.332 7.291 -0.778 1.00 0.00 C ATOM 641 O ALA A 44 -13.205 7.706 -0.018 1.00 0.00 O ATOM 642 CB ALA A 44 -13.562 5.411 -1.890 1.00 0.00 C ATOM 0 H ALA A 44 -11.121 5.364 -2.616 1.00 0.00 H new ATOM 0 HA ALA A 44 -13.265 7.361 -2.702 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -14.461 5.692 -1.342 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -13.842 4.985 -2.853 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -13.003 4.672 -1.315 1.00 0.00 H new ATOM 648 N ASP A 45 -11.035 7.361 -0.495 1.00 0.00 N ATOM 649 CA ASP A 45 -10.558 7.966 0.741 1.00 0.00 C ATOM 650 C ASP A 45 -10.060 9.377 0.467 1.00 0.00 C ATOM 651 O ASP A 45 -10.717 10.354 0.828 1.00 0.00 O ATOM 652 CB ASP A 45 -9.445 7.125 1.372 1.00 0.00 C ATOM 653 CG ASP A 45 -9.081 7.610 2.759 1.00 0.00 C ATOM 654 OD1 ASP A 45 -8.194 8.479 2.878 1.00 0.00 O ATOM 655 OD2 ASP A 45 -9.691 7.128 3.737 1.00 0.00 O ATOM 0 H ASP A 45 -10.298 7.007 -1.104 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.389 8.008 1.446 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -9.763 6.084 1.425 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -8.562 7.156 0.734 1.00 0.00 H new ATOM 660 N GLY A 46 -8.905 9.481 -0.184 1.00 0.00 N ATOM 661 CA GLY A 46 -8.366 10.785 -0.523 1.00 0.00 C ATOM 662 C GLY A 46 -7.104 11.166 0.231 1.00 0.00 C ATOM 663 O GLY A 46 -6.346 12.021 -0.230 1.00 0.00 O ATOM 0 H GLY A 46 -8.335 8.689 -0.481 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -8.155 10.809 -1.592 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.129 11.539 -0.331 1.00 0.00 H new ATOM 667 N ARG A 47 -6.860 10.542 1.376 1.00 0.00 N ATOM 668 CA ARG A 47 -5.683 10.872 2.177 1.00 0.00 C ATOM 669 C ARG A 47 -4.400 10.385 1.515 1.00 0.00 C ATOM 670 O ARG A 47 -3.326 10.937 1.749 1.00 0.00 O ATOM 671 CB ARG A 47 -5.808 10.298 3.589 1.00 0.00 C ATOM 672 CG ARG A 47 -6.701 11.128 4.498 1.00 0.00 C ATOM 673 CD ARG A 47 -7.012 10.403 5.797 1.00 0.00 C ATOM 674 NE ARG A 47 -7.810 9.198 5.575 1.00 0.00 N ATOM 675 CZ ARG A 47 -8.235 8.395 6.550 1.00 0.00 C ATOM 676 NH1 ARG A 47 -7.934 8.657 7.815 1.00 0.00 N ATOM 677 NH2 ARG A 47 -8.961 7.325 6.260 1.00 0.00 N ATOM 0 H ARG A 47 -7.453 9.812 1.770 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.630 11.958 2.247 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.205 9.285 3.528 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.815 10.226 4.034 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.213 12.077 4.719 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -7.631 11.361 3.980 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.080 10.134 6.294 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.548 11.075 6.467 1.00 0.00 H new ATOM 0 HE ARG A 47 -8.057 8.957 4.615 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.374 9.477 8.047 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.263 8.038 8.556 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -9.195 7.115 5.290 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -9.286 6.711 7.007 1.00 0.00 H new ATOM 691 N ILE A 48 -4.508 9.351 0.694 1.00 0.00 N ATOM 692 CA ILE A 48 -3.347 8.816 -0.002 1.00 0.00 C ATOM 693 C ILE A 48 -3.229 9.446 -1.385 1.00 0.00 C ATOM 694 O ILE A 48 -4.220 9.559 -2.112 1.00 0.00 O ATOM 695 CB ILE A 48 -3.416 7.281 -0.137 1.00 0.00 C ATOM 696 CG1 ILE A 48 -3.744 6.641 1.216 1.00 0.00 C ATOM 697 CG2 ILE A 48 -2.105 6.735 -0.682 1.00 0.00 C ATOM 698 CD1 ILE A 48 -3.801 5.125 1.181 1.00 0.00 C ATOM 0 H ILE A 48 -5.383 8.867 0.494 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.467 9.062 0.592 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.211 7.030 -0.840 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.994 6.950 1.944 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.704 7.023 1.565 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -2.171 5.651 -0.771 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.910 7.168 -1.663 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.293 6.994 -0.003 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.038 4.747 2.175 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.571 4.806 0.478 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.835 4.732 0.864 1.00 0.00 H new ATOM 710 N GLU A 49 -2.023 9.861 -1.739 1.00 0.00 N ATOM 711 CA GLU A 49 -1.774 10.493 -3.025 1.00 0.00 C ATOM 712 C GLU A 49 -0.537 9.882 -3.689 1.00 0.00 C ATOM 713 O GLU A 49 0.261 9.217 -3.023 1.00 0.00 O ATOM 714 CB GLU A 49 -1.592 12.004 -2.834 1.00 0.00 C ATOM 715 CG GLU A 49 -0.451 12.369 -1.901 1.00 0.00 C ATOM 716 CD GLU A 49 -0.598 13.758 -1.318 1.00 0.00 C ATOM 717 OE1 GLU A 49 -1.419 13.934 -0.395 1.00 0.00 O ATOM 718 OE2 GLU A 49 0.106 14.681 -1.774 1.00 0.00 O ATOM 0 H GLU A 49 -1.196 9.771 -1.149 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.630 10.321 -3.677 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.417 12.465 -3.806 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.518 12.426 -2.443 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.403 11.642 -1.090 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.492 12.305 -2.444 1.00 0.00 H new ATOM 725 N PRO A 50 -0.370 10.081 -5.013 1.00 0.00 N ATOM 726 CA PRO A 50 0.781 9.552 -5.755 1.00 0.00 C ATOM 727 C PRO A 50 2.098 10.108 -5.226 1.00 0.00 C ATOM 728 O PRO A 50 2.462 11.255 -5.507 1.00 0.00 O ATOM 729 CB PRO A 50 0.538 10.022 -7.195 1.00 0.00 C ATOM 730 CG PRO A 50 -0.913 10.336 -7.257 1.00 0.00 C ATOM 731 CD PRO A 50 -1.282 10.833 -5.891 1.00 0.00 C ATOM 0 HA PRO A 50 0.863 8.469 -5.665 1.00 0.00 H new ATOM 0 HB2 PRO A 50 1.142 10.898 -7.431 1.00 0.00 H new ATOM 0 HB3 PRO A 50 0.805 9.247 -7.914 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -1.118 11.091 -8.016 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -1.493 9.452 -7.522 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -1.136 11.909 -5.799 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.327 10.632 -5.656 1.00 0.00 H new ATOM 739 N GLY A 51 2.801 9.294 -4.456 1.00 0.00 N ATOM 740 CA GLY A 51 4.062 9.714 -3.882 1.00 0.00 C ATOM 741 C GLY A 51 4.211 9.246 -2.451 1.00 0.00 C ATOM 742 O GLY A 51 5.324 9.167 -1.928 1.00 0.00 O ATOM 0 H GLY A 51 2.519 8.343 -4.217 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.883 9.320 -4.481 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.134 10.801 -3.918 1.00 0.00 H new ATOM 746 N ASP A 52 3.081 8.944 -1.817 1.00 0.00 N ATOM 747 CA ASP A 52 3.075 8.464 -0.437 1.00 0.00 C ATOM 748 C ASP A 52 3.816 7.133 -0.338 1.00 0.00 C ATOM 749 O ASP A 52 3.706 6.281 -1.223 1.00 0.00 O ATOM 750 CB ASP A 52 1.637 8.295 0.074 1.00 0.00 C ATOM 751 CG ASP A 52 0.923 9.610 0.336 1.00 0.00 C ATOM 752 OD1 ASP A 52 1.594 10.636 0.561 1.00 0.00 O ATOM 753 OD2 ASP A 52 -0.325 9.622 0.323 1.00 0.00 O ATOM 0 H ASP A 52 2.155 9.023 -2.238 1.00 0.00 H new ATOM 0 HA ASP A 52 3.581 9.204 0.182 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.066 7.721 -0.656 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.654 7.712 0.995 1.00 0.00 H new ATOM 758 N MET A 53 4.582 6.961 0.727 1.00 0.00 N ATOM 759 CA MET A 53 5.341 5.734 0.930 1.00 0.00 C ATOM 760 C MET A 53 4.602 4.795 1.872 1.00 0.00 C ATOM 761 O MET A 53 4.110 5.216 2.920 1.00 0.00 O ATOM 762 CB MET A 53 6.730 6.057 1.490 1.00 0.00 C ATOM 763 CG MET A 53 7.600 4.831 1.715 1.00 0.00 C ATOM 764 SD MET A 53 9.299 5.255 2.141 1.00 0.00 S ATOM 765 CE MET A 53 9.888 3.685 2.766 1.00 0.00 C ATOM 0 H MET A 53 4.696 7.655 1.466 1.00 0.00 H new ATOM 0 HA MET A 53 5.455 5.237 -0.033 1.00 0.00 H new ATOM 0 HB2 MET A 53 7.240 6.732 0.803 1.00 0.00 H new ATOM 0 HB3 MET A 53 6.616 6.589 2.435 1.00 0.00 H new ATOM 0 HG2 MET A 53 7.169 4.226 2.513 1.00 0.00 H new ATOM 0 HG3 MET A 53 7.598 4.218 0.814 1.00 0.00 H new ATOM 0 HE1 MET A 53 10.961 3.603 2.591 1.00 0.00 H new ATOM 0 HE2 MET A 53 9.689 3.621 3.836 1.00 0.00 H new ATOM 0 HE3 MET A 53 9.374 2.873 2.252 1.00 0.00 H new ATOM 775 N LEU A 54 4.517 3.528 1.494 1.00 0.00 N ATOM 776 CA LEU A 54 3.842 2.533 2.313 1.00 0.00 C ATOM 777 C LEU A 54 4.806 1.951 3.338 1.00 0.00 C ATOM 778 O LEU A 54 5.857 1.420 2.980 1.00 0.00 O ATOM 779 CB LEU A 54 3.267 1.410 1.443 1.00 0.00 C ATOM 780 CG LEU A 54 1.863 1.655 0.888 1.00 0.00 C ATOM 781 CD1 LEU A 54 1.457 0.522 -0.042 1.00 0.00 C ATOM 782 CD2 LEU A 54 0.861 1.794 2.025 1.00 0.00 C ATOM 0 H LEU A 54 4.908 3.165 0.625 1.00 0.00 H new ATOM 0 HA LEU A 54 3.020 3.024 2.834 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.944 1.241 0.606 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.251 0.492 2.031 1.00 0.00 H new ATOM 0 HG LEU A 54 1.871 2.584 0.319 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.456 0.710 -0.429 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.161 0.462 -0.872 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.463 -0.419 0.507 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.134 1.968 1.614 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.854 0.879 2.618 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.144 2.635 2.659 1.00 0.00 H new ATOM 794 N LEU A 55 4.450 2.065 4.610 1.00 0.00 N ATOM 795 CA LEU A 55 5.290 1.553 5.683 1.00 0.00 C ATOM 796 C LEU A 55 4.744 0.232 6.214 1.00 0.00 C ATOM 797 O LEU A 55 5.317 -0.828 5.980 1.00 0.00 O ATOM 798 CB LEU A 55 5.394 2.573 6.822 1.00 0.00 C ATOM 799 CG LEU A 55 5.972 3.933 6.433 1.00 0.00 C ATOM 800 CD1 LEU A 55 6.026 4.850 7.641 1.00 0.00 C ATOM 801 CD2 LEU A 55 7.354 3.781 5.816 1.00 0.00 C ATOM 0 H LEU A 55 3.586 2.507 4.924 1.00 0.00 H new ATOM 0 HA LEU A 55 6.286 1.380 5.276 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.400 2.726 7.242 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.012 2.147 7.613 1.00 0.00 H new ATOM 0 HG LEU A 55 5.316 4.380 5.686 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.440 5.815 7.347 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.020 4.992 8.035 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.657 4.403 8.409 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.743 4.763 5.548 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.024 3.309 6.535 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.287 3.161 4.922 1.00 0.00 H new ATOM 813 N GLN A 56 3.628 0.303 6.927 1.00 0.00 N ATOM 814 CA GLN A 56 3.014 -0.887 7.495 1.00 0.00 C ATOM 815 C GLN A 56 1.624 -1.101 6.912 1.00 0.00 C ATOM 816 O GLN A 56 0.854 -0.150 6.759 1.00 0.00 O ATOM 817 CB GLN A 56 2.936 -0.766 9.021 1.00 0.00 C ATOM 818 CG GLN A 56 2.142 -1.882 9.684 1.00 0.00 C ATOM 819 CD GLN A 56 0.969 -1.374 10.502 1.00 0.00 C ATOM 820 OE1 GLN A 56 -0.120 -1.952 10.472 1.00 0.00 O ATOM 821 NE2 GLN A 56 1.179 -0.299 11.248 1.00 0.00 N ATOM 0 H GLN A 56 3.131 1.171 7.125 1.00 0.00 H new ATOM 0 HA GLN A 56 3.631 -1.749 7.242 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.947 -0.760 9.428 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.483 0.192 9.278 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.774 -2.563 8.917 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.805 -2.457 10.330 1.00 0.00 H new ATOM 0 HE21 GLN A 56 2.094 0.152 11.247 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.426 0.077 11.824 1.00 0.00 H new ATOM 830 N VAL A 57 1.314 -2.347 6.579 1.00 0.00 N ATOM 831 CA VAL A 57 0.014 -2.692 6.020 1.00 0.00 C ATOM 832 C VAL A 57 -0.584 -3.879 6.764 1.00 0.00 C ATOM 833 O VAL A 57 -0.170 -5.012 6.554 1.00 0.00 O ATOM 834 CB VAL A 57 0.107 -3.037 4.517 1.00 0.00 C ATOM 835 CG1 VAL A 57 -1.245 -3.492 3.981 1.00 0.00 C ATOM 836 CG2 VAL A 57 0.630 -1.847 3.722 1.00 0.00 C ATOM 0 H VAL A 57 1.948 -3.139 6.687 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.626 -1.817 6.135 1.00 0.00 H new ATOM 0 HB VAL A 57 0.812 -3.860 4.401 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.155 -3.729 2.921 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.572 -4.378 4.525 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.976 -2.694 4.113 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.688 -2.112 2.666 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.045 -1.001 3.848 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.622 -1.576 4.083 1.00 0.00 H new ATOM 846 N ASN A 58 -1.547 -3.605 7.633 1.00 0.00 N ATOM 847 CA ASN A 58 -2.219 -4.646 8.409 1.00 0.00 C ATOM 848 C ASN A 58 -1.236 -5.440 9.268 1.00 0.00 C ATOM 849 O ASN A 58 -0.972 -6.616 8.995 1.00 0.00 O ATOM 850 CB ASN A 58 -2.990 -5.599 7.484 1.00 0.00 C ATOM 851 CG ASN A 58 -4.433 -5.179 7.283 1.00 0.00 C ATOM 852 OD1 ASN A 58 -4.784 -4.016 7.466 1.00 0.00 O ATOM 853 ND2 ASN A 58 -5.279 -6.120 6.895 1.00 0.00 N ATOM 0 H ASN A 58 -1.885 -2.661 7.822 1.00 0.00 H new ATOM 0 HA ASN A 58 -2.921 -4.146 9.076 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -2.490 -5.643 6.516 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -2.964 -6.605 7.902 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -6.260 -5.890 6.738 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -4.950 -7.075 6.753 1.00 0.00 H new ATOM 860 N ASP A 59 -0.678 -4.772 10.283 1.00 0.00 N ATOM 861 CA ASP A 59 0.261 -5.380 11.241 1.00 0.00 C ATOM 862 C ASP A 59 1.663 -5.567 10.661 1.00 0.00 C ATOM 863 O ASP A 59 2.645 -5.142 11.270 1.00 0.00 O ATOM 864 CB ASP A 59 -0.260 -6.722 11.776 1.00 0.00 C ATOM 865 CG ASP A 59 -1.421 -6.565 12.736 1.00 0.00 C ATOM 866 OD1 ASP A 59 -1.195 -6.135 13.887 1.00 0.00 O ATOM 867 OD2 ASP A 59 -2.566 -6.878 12.346 1.00 0.00 O ATOM 0 H ASP A 59 -0.865 -3.786 10.467 1.00 0.00 H new ATOM 0 HA ASP A 59 0.333 -4.673 12.067 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.571 -7.345 10.938 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.552 -7.246 12.279 1.00 0.00 H new ATOM 872 N VAL A 60 1.766 -6.209 9.504 1.00 0.00 N ATOM 873 CA VAL A 60 3.070 -6.452 8.889 1.00 0.00 C ATOM 874 C VAL A 60 3.722 -5.155 8.419 1.00 0.00 C ATOM 875 O VAL A 60 3.102 -4.330 7.742 1.00 0.00 O ATOM 876 CB VAL A 60 3.001 -7.462 7.722 1.00 0.00 C ATOM 877 CG1 VAL A 60 2.986 -8.886 8.257 1.00 0.00 C ATOM 878 CG2 VAL A 60 1.785 -7.219 6.847 1.00 0.00 C ATOM 0 H VAL A 60 0.972 -6.569 8.975 1.00 0.00 H new ATOM 0 HA VAL A 60 3.689 -6.893 9.670 1.00 0.00 H new ATOM 0 HB VAL A 60 3.890 -7.320 7.107 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.937 -9.587 7.424 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.894 -9.068 8.832 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.116 -9.024 8.899 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.769 -7.948 6.036 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.880 -7.322 7.445 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.832 -6.213 6.430 1.00 0.00 H new ATOM 888 N ASN A 61 4.975 -4.983 8.809 1.00 0.00 N ATOM 889 CA ASN A 61 5.747 -3.798 8.463 1.00 0.00 C ATOM 890 C ASN A 61 6.687 -4.093 7.303 1.00 0.00 C ATOM 891 O ASN A 61 7.378 -5.110 7.299 1.00 0.00 O ATOM 892 CB ASN A 61 6.546 -3.339 9.680 1.00 0.00 C ATOM 893 CG ASN A 61 7.124 -1.953 9.511 1.00 0.00 C ATOM 894 OD1 ASN A 61 6.568 -1.116 8.798 1.00 0.00 O ATOM 895 ND2 ASN A 61 8.242 -1.699 10.167 1.00 0.00 N ATOM 0 H ASN A 61 5.486 -5.661 9.374 1.00 0.00 H new ATOM 0 HA ASN A 61 5.063 -3.006 8.158 1.00 0.00 H new ATOM 0 HB2 ASN A 61 5.902 -3.355 10.559 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.355 -4.045 9.865 1.00 0.00 H new ATOM 0 HD21 ASN A 61 8.679 -0.780 10.094 1.00 0.00 H new ATOM 0 HD22 ASN A 61 8.669 -2.422 10.747 1.00 0.00 H new ATOM 902 N PHE A 62 6.715 -3.198 6.324 1.00 0.00 N ATOM 903 CA PHE A 62 7.560 -3.383 5.148 1.00 0.00 C ATOM 904 C PHE A 62 8.786 -2.477 5.183 1.00 0.00 C ATOM 905 O PHE A 62 9.558 -2.437 4.227 1.00 0.00 O ATOM 906 CB PHE A 62 6.759 -3.110 3.873 1.00 0.00 C ATOM 907 CG PHE A 62 5.552 -3.988 3.713 1.00 0.00 C ATOM 908 CD1 PHE A 62 5.621 -5.345 3.979 1.00 0.00 C ATOM 909 CD2 PHE A 62 4.346 -3.453 3.297 1.00 0.00 C ATOM 910 CE1 PHE A 62 4.514 -6.153 3.830 1.00 0.00 C ATOM 911 CE2 PHE A 62 3.232 -4.256 3.145 1.00 0.00 C ATOM 912 CZ PHE A 62 3.315 -5.608 3.414 1.00 0.00 C ATOM 0 H PHE A 62 6.165 -2.339 6.319 1.00 0.00 H new ATOM 0 HA PHE A 62 7.903 -4.418 5.153 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.440 -2.068 3.872 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.411 -3.245 3.010 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.555 -5.776 4.308 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.274 -2.396 3.089 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.584 -7.210 4.038 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.297 -3.827 2.816 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.445 -6.237 3.299 1.00 0.00 H new ATOM 922 N GLU A 63 8.969 -1.767 6.291 1.00 0.00 N ATOM 923 CA GLU A 63 10.107 -0.856 6.444 1.00 0.00 C ATOM 924 C GLU A 63 11.443 -1.584 6.296 1.00 0.00 C ATOM 925 O GLU A 63 12.397 -1.035 5.750 1.00 0.00 O ATOM 926 CB GLU A 63 10.063 -0.158 7.804 1.00 0.00 C ATOM 927 CG GLU A 63 9.003 0.925 7.911 1.00 0.00 C ATOM 928 CD GLU A 63 9.021 1.618 9.254 1.00 0.00 C ATOM 929 OE1 GLU A 63 8.771 0.948 10.277 1.00 0.00 O ATOM 930 OE2 GLU A 63 9.276 2.837 9.300 1.00 0.00 O ATOM 0 H GLU A 63 8.347 -1.802 7.098 1.00 0.00 H new ATOM 0 HA GLU A 63 10.027 -0.115 5.649 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.884 -0.904 8.578 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.039 0.283 8.006 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.159 1.662 7.123 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.020 0.485 7.745 1.00 0.00 H new ATOM 937 N ASN A 64 11.513 -2.814 6.792 1.00 0.00 N ATOM 938 CA ASN A 64 12.747 -3.590 6.718 1.00 0.00 C ATOM 939 C ASN A 64 12.602 -4.779 5.776 1.00 0.00 C ATOM 940 O ASN A 64 13.209 -5.828 5.993 1.00 0.00 O ATOM 941 CB ASN A 64 13.152 -4.084 8.110 1.00 0.00 C ATOM 942 CG ASN A 64 14.181 -3.190 8.778 1.00 0.00 C ATOM 943 OD1 ASN A 64 14.965 -2.513 8.110 1.00 0.00 O ATOM 944 ND2 ASN A 64 14.192 -3.185 10.103 1.00 0.00 N ATOM 0 H ASN A 64 10.736 -3.293 7.247 1.00 0.00 H new ATOM 0 HA ASN A 64 13.524 -2.934 6.326 1.00 0.00 H new ATOM 0 HB2 ASN A 64 12.265 -4.143 8.741 1.00 0.00 H new ATOM 0 HB3 ASN A 64 13.554 -5.094 8.029 1.00 0.00 H new ATOM 0 HD21 ASN A 64 14.866 -2.607 10.605 1.00 0.00 H new ATOM 0 HD22 ASN A 64 13.527 -3.759 10.621 1.00 0.00 H new ATOM 951 N MET A 65 11.811 -4.615 4.727 1.00 0.00 N ATOM 952 CA MET A 65 11.602 -5.691 3.768 1.00 0.00 C ATOM 953 C MET A 65 11.993 -5.249 2.366 1.00 0.00 C ATOM 954 O MET A 65 12.042 -4.054 2.071 1.00 0.00 O ATOM 955 CB MET A 65 10.144 -6.157 3.780 1.00 0.00 C ATOM 956 CG MET A 65 9.706 -6.767 5.104 1.00 0.00 C ATOM 957 SD MET A 65 8.091 -7.565 5.001 1.00 0.00 S ATOM 958 CE MET A 65 8.512 -9.095 4.169 1.00 0.00 C ATOM 0 H MET A 65 11.306 -3.754 4.518 1.00 0.00 H new ATOM 0 HA MET A 65 12.238 -6.526 4.062 1.00 0.00 H new ATOM 0 HB2 MET A 65 9.499 -5.309 3.550 1.00 0.00 H new ATOM 0 HB3 MET A 65 10.000 -6.891 2.987 1.00 0.00 H new ATOM 0 HG2 MET A 65 10.448 -7.498 5.426 1.00 0.00 H new ATOM 0 HG3 MET A 65 9.674 -5.988 5.866 1.00 0.00 H new ATOM 0 HE1 MET A 65 7.816 -9.266 3.347 1.00 0.00 H new ATOM 0 HE2 MET A 65 9.527 -9.029 3.777 1.00 0.00 H new ATOM 0 HE3 MET A 65 8.449 -9.923 4.876 1.00 0.00 H new ATOM 968 N SER A 66 12.275 -6.222 1.511 1.00 0.00 N ATOM 969 CA SER A 66 12.652 -5.956 0.134 1.00 0.00 C ATOM 970 C SER A 66 11.460 -5.409 -0.655 1.00 0.00 C ATOM 971 O SER A 66 10.307 -5.725 -0.344 1.00 0.00 O ATOM 972 CB SER A 66 13.169 -7.245 -0.506 1.00 0.00 C ATOM 973 OG SER A 66 13.409 -8.236 0.486 1.00 0.00 O ATOM 0 H SER A 66 12.249 -7.213 1.753 1.00 0.00 H new ATOM 0 HA SER A 66 13.440 -5.203 0.118 1.00 0.00 H new ATOM 0 HB2 SER A 66 12.442 -7.615 -1.229 1.00 0.00 H new ATOM 0 HB3 SER A 66 14.089 -7.042 -1.054 1.00 0.00 H new ATOM 0 HG SER A 66 12.927 -9.057 0.252 1.00 0.00 H new ATOM 979 N ASN A 67 11.750 -4.600 -1.675 1.00 0.00 N ATOM 980 CA ASN A 67 10.715 -3.993 -2.515 1.00 0.00 C ATOM 981 C ASN A 67 9.755 -5.045 -3.052 1.00 0.00 C ATOM 982 O ASN A 67 8.540 -4.845 -3.069 1.00 0.00 O ATOM 983 CB ASN A 67 11.349 -3.247 -3.693 1.00 0.00 C ATOM 984 CG ASN A 67 12.022 -1.946 -3.294 1.00 0.00 C ATOM 985 OD1 ASN A 67 11.620 -1.281 -2.341 1.00 0.00 O ATOM 986 ND2 ASN A 67 13.054 -1.573 -4.035 1.00 0.00 N ATOM 0 H ASN A 67 12.702 -4.348 -1.941 1.00 0.00 H new ATOM 0 HA ASN A 67 10.159 -3.291 -1.893 1.00 0.00 H new ATOM 0 HB2 ASN A 67 12.084 -3.895 -4.170 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.580 -3.036 -4.436 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.547 -0.705 -3.823 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.356 -2.153 -4.817 1.00 0.00 H new ATOM 993 N ASP A 68 10.311 -6.163 -3.492 1.00 0.00 N ATOM 994 CA ASP A 68 9.516 -7.257 -4.040 1.00 0.00 C ATOM 995 C ASP A 68 8.681 -7.920 -2.957 1.00 0.00 C ATOM 996 O ASP A 68 7.479 -8.118 -3.122 1.00 0.00 O ATOM 997 CB ASP A 68 10.418 -8.306 -4.695 1.00 0.00 C ATOM 998 CG ASP A 68 10.910 -7.883 -6.062 1.00 0.00 C ATOM 999 OD1 ASP A 68 11.976 -7.238 -6.139 1.00 0.00 O ATOM 1000 OD2 ASP A 68 10.234 -8.196 -7.064 1.00 0.00 O ATOM 0 H ASP A 68 11.316 -6.339 -3.481 1.00 0.00 H new ATOM 0 HA ASP A 68 8.850 -6.834 -4.792 1.00 0.00 H new ATOM 0 HB2 ASP A 68 11.274 -8.497 -4.048 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.871 -9.244 -4.785 1.00 0.00 H new ATOM 1005 N ASP A 69 9.327 -8.251 -1.843 1.00 0.00 N ATOM 1006 CA ASP A 69 8.654 -8.910 -0.724 1.00 0.00 C ATOM 1007 C ASP A 69 7.499 -8.074 -0.203 1.00 0.00 C ATOM 1008 O ASP A 69 6.428 -8.603 0.091 1.00 0.00 O ATOM 1009 CB ASP A 69 9.639 -9.189 0.409 1.00 0.00 C ATOM 1010 CG ASP A 69 10.512 -10.390 0.130 1.00 0.00 C ATOM 1011 OD1 ASP A 69 9.963 -11.484 -0.122 1.00 0.00 O ATOM 1012 OD2 ASP A 69 11.752 -10.247 0.164 1.00 0.00 O ATOM 0 H ASP A 69 10.320 -8.074 -1.689 1.00 0.00 H new ATOM 0 HA ASP A 69 8.256 -9.855 -1.094 1.00 0.00 H new ATOM 0 HB2 ASP A 69 10.269 -8.313 0.563 1.00 0.00 H new ATOM 0 HB3 ASP A 69 9.087 -9.351 1.335 1.00 0.00 H new ATOM 1017 N ALA A 70 7.719 -6.770 -0.098 1.00 0.00 N ATOM 1018 CA ALA A 70 6.690 -5.855 0.376 1.00 0.00 C ATOM 1019 C ALA A 70 5.431 -5.973 -0.479 1.00 0.00 C ATOM 1020 O ALA A 70 4.315 -6.028 0.037 1.00 0.00 O ATOM 1021 CB ALA A 70 7.214 -4.427 0.372 1.00 0.00 C ATOM 0 H ALA A 70 8.604 -6.321 -0.336 1.00 0.00 H new ATOM 0 HA ALA A 70 6.429 -6.124 1.400 1.00 0.00 H new ATOM 0 HB1 ALA A 70 6.435 -3.753 0.728 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.083 -4.356 1.027 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.500 -4.147 -0.642 1.00 0.00 H new ATOM 1027 N VAL A 71 5.624 -6.042 -1.790 1.00 0.00 N ATOM 1028 CA VAL A 71 4.512 -6.168 -2.722 1.00 0.00 C ATOM 1029 C VAL A 71 3.887 -7.560 -2.624 1.00 0.00 C ATOM 1030 O VAL A 71 2.667 -7.705 -2.664 1.00 0.00 O ATOM 1031 CB VAL A 71 4.960 -5.907 -4.178 1.00 0.00 C ATOM 1032 CG1 VAL A 71 3.813 -6.133 -5.153 1.00 0.00 C ATOM 1033 CG2 VAL A 71 5.508 -4.494 -4.322 1.00 0.00 C ATOM 0 H VAL A 71 6.543 -6.013 -2.232 1.00 0.00 H new ATOM 0 HA VAL A 71 3.772 -5.416 -2.449 1.00 0.00 H new ATOM 0 HB VAL A 71 5.753 -6.616 -4.418 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.157 -5.942 -6.170 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.466 -7.163 -5.075 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.993 -5.455 -4.914 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.819 -4.328 -5.353 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.734 -3.775 -4.056 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.365 -4.367 -3.660 1.00 0.00 H new ATOM 1043 N ARG A 72 4.734 -8.579 -2.473 1.00 0.00 N ATOM 1044 CA ARG A 72 4.270 -9.964 -2.369 1.00 0.00 C ATOM 1045 C ARG A 72 3.324 -10.144 -1.188 1.00 0.00 C ATOM 1046 O ARG A 72 2.238 -10.710 -1.336 1.00 0.00 O ATOM 1047 CB ARG A 72 5.452 -10.923 -2.226 1.00 0.00 C ATOM 1048 CG ARG A 72 6.353 -10.968 -3.446 1.00 0.00 C ATOM 1049 CD ARG A 72 7.560 -11.860 -3.213 1.00 0.00 C ATOM 1050 NE ARG A 72 8.511 -11.789 -4.320 1.00 0.00 N ATOM 1051 CZ ARG A 72 9.834 -11.817 -4.166 1.00 0.00 C ATOM 1052 NH1 ARG A 72 10.371 -11.925 -2.954 1.00 0.00 N ATOM 1053 NH2 ARG A 72 10.626 -11.729 -5.224 1.00 0.00 N ATOM 0 H ARG A 72 5.747 -8.471 -2.420 1.00 0.00 H new ATOM 0 HA ARG A 72 3.730 -10.195 -3.287 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.044 -10.629 -1.359 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.073 -11.926 -2.028 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.788 -11.334 -4.303 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.686 -9.960 -3.691 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.056 -11.565 -2.288 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.230 -12.891 -3.083 1.00 0.00 H new ATOM 0 HE ARG A 72 8.140 -11.714 -5.267 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.769 -11.987 -2.133 1.00 0.00 H new ATOM 0 HH12 ARG A 72 11.385 -11.946 -2.845 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.223 -11.640 -6.157 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.639 -11.750 -5.106 1.00 0.00 H new ATOM 1067 N VAL A 73 3.738 -9.662 -0.019 1.00 0.00 N ATOM 1068 CA VAL A 73 2.917 -9.766 1.182 1.00 0.00 C ATOM 1069 C VAL A 73 1.633 -8.962 1.008 1.00 0.00 C ATOM 1070 O VAL A 73 0.545 -9.406 1.386 1.00 0.00 O ATOM 1071 CB VAL A 73 3.666 -9.268 2.437 1.00 0.00 C ATOM 1072 CG1 VAL A 73 2.813 -9.442 3.685 1.00 0.00 C ATOM 1073 CG2 VAL A 73 4.993 -9.992 2.594 1.00 0.00 C ATOM 0 H VAL A 73 4.635 -9.197 0.121 1.00 0.00 H new ATOM 0 HA VAL A 73 2.681 -10.821 1.325 1.00 0.00 H new ATOM 0 HB VAL A 73 3.867 -8.204 2.308 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.364 -9.084 4.555 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.891 -8.870 3.578 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.572 -10.497 3.817 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.504 -9.626 3.484 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.814 -11.063 2.693 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.614 -9.808 1.717 1.00 0.00 H new ATOM 1083 N LEU A 74 1.765 -7.783 0.409 1.00 0.00 N ATOM 1084 CA LEU A 74 0.621 -6.919 0.156 1.00 0.00 C ATOM 1085 C LEU A 74 -0.390 -7.633 -0.739 1.00 0.00 C ATOM 1086 O LEU A 74 -1.593 -7.573 -0.501 1.00 0.00 O ATOM 1087 CB LEU A 74 1.070 -5.611 -0.500 1.00 0.00 C ATOM 1088 CG LEU A 74 -0.052 -4.614 -0.800 1.00 0.00 C ATOM 1089 CD1 LEU A 74 -0.645 -4.070 0.487 1.00 0.00 C ATOM 1090 CD2 LEU A 74 0.461 -3.478 -1.665 1.00 0.00 C ATOM 0 H LEU A 74 2.657 -7.404 0.089 1.00 0.00 H new ATOM 0 HA LEU A 74 0.148 -6.685 1.110 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.799 -5.128 0.151 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.583 -5.848 -1.432 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.836 -5.139 -1.346 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.441 -3.363 0.251 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.053 -4.892 1.076 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.132 -3.564 1.060 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.351 -2.780 -1.868 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.265 -2.958 -1.144 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.838 -3.879 -2.606 1.00 0.00 H new ATOM 1102 N ARG A 75 0.118 -8.337 -1.748 1.00 0.00 N ATOM 1103 CA ARG A 75 -0.728 -9.078 -2.682 1.00 0.00 C ATOM 1104 C ARG A 75 -1.600 -10.092 -1.947 1.00 0.00 C ATOM 1105 O ARG A 75 -2.759 -10.290 -2.302 1.00 0.00 O ATOM 1106 CB ARG A 75 0.134 -9.788 -3.730 1.00 0.00 C ATOM 1107 CG ARG A 75 0.692 -8.852 -4.793 1.00 0.00 C ATOM 1108 CD ARG A 75 1.583 -9.578 -5.790 1.00 0.00 C ATOM 1109 NE ARG A 75 0.811 -10.407 -6.710 1.00 0.00 N ATOM 1110 CZ ARG A 75 0.903 -10.340 -8.039 1.00 0.00 C ATOM 1111 NH1 ARG A 75 1.717 -9.463 -8.619 1.00 0.00 N ATOM 1112 NH2 ARG A 75 0.176 -11.155 -8.793 1.00 0.00 N ATOM 0 H ARG A 75 1.117 -8.410 -1.941 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.383 -8.365 -3.183 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.962 -10.290 -3.229 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -0.461 -10.562 -4.215 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.132 -8.377 -5.325 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.261 -8.057 -4.312 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.162 -8.849 -6.357 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.297 -10.202 -5.252 1.00 0.00 H new ATOM 0 HE ARG A 75 0.158 -11.082 -6.311 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.279 -8.833 -8.047 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.779 -9.420 -9.636 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.451 -11.830 -8.356 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.244 -11.106 -9.810 1.00 0.00 H new ATOM 1126 N GLU A 76 -1.045 -10.713 -0.914 1.00 0.00 N ATOM 1127 CA GLU A 76 -1.779 -11.697 -0.129 1.00 0.00 C ATOM 1128 C GLU A 76 -2.924 -11.032 0.628 1.00 0.00 C ATOM 1129 O GLU A 76 -4.052 -11.523 0.625 1.00 0.00 O ATOM 1130 CB GLU A 76 -0.845 -12.404 0.858 1.00 0.00 C ATOM 1131 CG GLU A 76 0.227 -13.248 0.189 1.00 0.00 C ATOM 1132 CD GLU A 76 -0.345 -14.413 -0.593 1.00 0.00 C ATOM 1133 OE1 GLU A 76 -0.801 -15.392 0.036 1.00 0.00 O ATOM 1134 OE2 GLU A 76 -0.331 -14.358 -1.840 1.00 0.00 O ATOM 0 H GLU A 76 -0.088 -10.552 -0.600 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.192 -12.437 -0.814 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.365 -11.656 1.489 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.439 -13.040 1.514 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.812 -12.619 -0.482 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.911 -13.627 0.948 1.00 0.00 H new ATOM 1141 N ILE A 77 -2.630 -9.896 1.252 1.00 0.00 N ATOM 1142 CA ILE A 77 -3.627 -9.155 2.021 1.00 0.00 C ATOM 1143 C ILE A 77 -4.698 -8.571 1.100 1.00 0.00 C ATOM 1144 O ILE A 77 -5.889 -8.593 1.412 1.00 0.00 O ATOM 1145 CB ILE A 77 -2.968 -8.015 2.830 1.00 0.00 C ATOM 1146 CG1 ILE A 77 -1.784 -8.557 3.636 1.00 0.00 C ATOM 1147 CG2 ILE A 77 -3.985 -7.355 3.750 1.00 0.00 C ATOM 1148 CD1 ILE A 77 -0.922 -7.478 4.253 1.00 0.00 C ATOM 0 H ILE A 77 -1.705 -9.466 1.241 1.00 0.00 H new ATOM 0 HA ILE A 77 -4.094 -9.856 2.713 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.600 -7.261 2.134 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.161 -9.205 4.427 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.166 -9.175 2.985 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.502 -6.555 4.311 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.799 -6.941 3.155 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -4.383 -8.096 4.443 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.104 -7.938 4.808 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.514 -6.843 3.466 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.525 -6.874 4.930 1.00 0.00 H new ATOM 1160 N VAL A 78 -4.258 -8.064 -0.045 1.00 0.00 N ATOM 1161 CA VAL A 78 -5.156 -7.471 -1.025 1.00 0.00 C ATOM 1162 C VAL A 78 -6.089 -8.528 -1.618 1.00 0.00 C ATOM 1163 O VAL A 78 -7.254 -8.251 -1.921 1.00 0.00 O ATOM 1164 CB VAL A 78 -4.341 -6.770 -2.139 1.00 0.00 C ATOM 1165 CG1 VAL A 78 -5.201 -6.432 -3.347 1.00 0.00 C ATOM 1166 CG2 VAL A 78 -3.692 -5.512 -1.588 1.00 0.00 C ATOM 0 H VAL A 78 -3.275 -8.053 -0.318 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.772 -6.725 -0.524 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.570 -7.464 -2.473 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.589 -5.942 -4.104 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.624 -7.348 -3.760 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.007 -5.764 -3.044 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.120 -5.023 -2.376 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.464 -4.833 -1.225 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.026 -5.776 -0.767 1.00 0.00 H new ATOM 1176 N SER A 79 -5.582 -9.746 -1.747 1.00 0.00 N ATOM 1177 CA SER A 79 -6.363 -10.847 -2.294 1.00 0.00 C ATOM 1178 C SER A 79 -7.167 -11.557 -1.203 1.00 0.00 C ATOM 1179 O SER A 79 -7.756 -12.610 -1.440 1.00 0.00 O ATOM 1180 CB SER A 79 -5.441 -11.836 -3.007 1.00 0.00 C ATOM 1181 OG SER A 79 -4.612 -11.161 -3.942 1.00 0.00 O ATOM 0 H SER A 79 -4.630 -9.997 -1.479 1.00 0.00 H new ATOM 0 HA SER A 79 -7.072 -10.437 -3.013 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.824 -12.358 -2.276 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.036 -12.592 -3.520 1.00 0.00 H new ATOM 0 HG SER A 79 -3.721 -11.030 -3.555 1.00 0.00 H new ATOM 1187 N GLN A 80 -7.197 -10.971 -0.013 1.00 0.00 N ATOM 1188 CA GLN A 80 -7.940 -11.547 1.095 1.00 0.00 C ATOM 1189 C GLN A 80 -9.259 -10.800 1.268 1.00 0.00 C ATOM 1190 O GLN A 80 -9.454 -9.733 0.680 1.00 0.00 O ATOM 1191 CB GLN A 80 -7.112 -11.478 2.381 1.00 0.00 C ATOM 1192 CG GLN A 80 -7.116 -12.766 3.187 1.00 0.00 C ATOM 1193 CD GLN A 80 -6.472 -13.930 2.453 1.00 0.00 C ATOM 1194 OE1 GLN A 80 -6.892 -15.074 2.603 1.00 0.00 O ATOM 1195 NE2 GLN A 80 -5.447 -13.654 1.661 1.00 0.00 N ATOM 0 H GLN A 80 -6.716 -10.099 0.207 1.00 0.00 H new ATOM 0 HA GLN A 80 -8.151 -12.595 0.880 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -6.083 -11.224 2.126 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -7.494 -10.670 3.004 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -6.590 -12.601 4.127 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -8.144 -13.027 3.439 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -5.125 -12.691 1.560 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -4.980 -14.404 1.152 1.00 0.00 H new ATOM 1204 N THR A 81 -10.167 -11.351 2.057 1.00 0.00 N ATOM 1205 CA THR A 81 -11.452 -10.711 2.282 1.00 0.00 C ATOM 1206 C THR A 81 -11.551 -10.164 3.701 1.00 0.00 C ATOM 1207 O THR A 81 -12.217 -10.744 4.557 1.00 0.00 O ATOM 1208 CB THR A 81 -12.617 -11.683 2.011 1.00 0.00 C ATOM 1209 OG1 THR A 81 -12.211 -13.031 2.298 1.00 0.00 O ATOM 1210 CG2 THR A 81 -13.074 -11.583 0.563 1.00 0.00 C ATOM 0 H THR A 81 -10.039 -12.235 2.550 1.00 0.00 H new ATOM 0 HA THR A 81 -11.526 -9.880 1.581 1.00 0.00 H new ATOM 0 HB THR A 81 -13.449 -11.410 2.660 1.00 0.00 H new ATOM 0 HG1 THR A 81 -12.958 -13.641 2.125 1.00 0.00 H new ATOM 0 HG21 THR A 81 -13.897 -12.277 0.392 1.00 0.00 H new ATOM 0 HG22 THR A 81 -13.408 -10.566 0.356 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.245 -11.834 -0.098 1.00 0.00 H new ATOM 1218 N GLY A 82 -10.866 -9.058 3.946 1.00 0.00 N ATOM 1219 CA GLY A 82 -10.881 -8.439 5.255 1.00 0.00 C ATOM 1220 C GLY A 82 -10.483 -6.977 5.189 1.00 0.00 C ATOM 1221 O GLY A 82 -10.011 -6.518 4.146 1.00 0.00 O ATOM 0 H GLY A 82 -10.294 -8.574 3.254 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -11.878 -8.526 5.687 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.199 -8.972 5.917 1.00 0.00 H new ATOM 1225 N PRO A 83 -10.656 -6.220 6.284 1.00 0.00 N ATOM 1226 CA PRO A 83 -10.303 -4.795 6.324 1.00 0.00 C ATOM 1227 C PRO A 83 -8.806 -4.572 6.135 1.00 0.00 C ATOM 1228 O PRO A 83 -7.982 -5.319 6.673 1.00 0.00 O ATOM 1229 CB PRO A 83 -10.745 -4.349 7.723 1.00 0.00 C ATOM 1230 CG PRO A 83 -10.802 -5.606 8.527 1.00 0.00 C ATOM 1231 CD PRO A 83 -11.206 -6.688 7.566 1.00 0.00 C ATOM 0 HA PRO A 83 -10.780 -4.233 5.521 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -10.040 -3.637 8.152 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -11.716 -3.856 7.692 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -9.835 -5.825 8.979 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -11.521 -5.517 9.341 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -10.794 -7.656 7.852 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -12.289 -6.804 7.522 1.00 0.00 H new ATOM 1239 N ILE A 84 -8.456 -3.547 5.370 1.00 0.00 N ATOM 1240 CA ILE A 84 -7.061 -3.237 5.103 1.00 0.00 C ATOM 1241 C ILE A 84 -6.713 -1.830 5.578 1.00 0.00 C ATOM 1242 O ILE A 84 -7.273 -0.843 5.102 1.00 0.00 O ATOM 1243 CB ILE A 84 -6.735 -3.369 3.598 1.00 0.00 C ATOM 1244 CG1 ILE A 84 -7.026 -4.792 3.112 1.00 0.00 C ATOM 1245 CG2 ILE A 84 -5.282 -3.006 3.330 1.00 0.00 C ATOM 1246 CD1 ILE A 84 -6.895 -4.970 1.612 1.00 0.00 C ATOM 0 H ILE A 84 -9.121 -2.916 4.923 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.459 -3.958 5.656 1.00 0.00 H new ATOM 0 HB ILE A 84 -7.370 -2.675 3.047 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.345 -5.482 3.610 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -8.036 -5.068 3.414 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -5.073 -3.105 2.265 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -5.101 -1.977 3.641 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.630 -3.675 3.892 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -7.117 -6.004 1.348 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.596 -4.307 1.104 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.878 -4.727 1.304 1.00 0.00 H new ATOM 1258 N SER A 85 -5.813 -1.749 6.543 1.00 0.00 N ATOM 1259 CA SER A 85 -5.369 -0.473 7.070 1.00 0.00 C ATOM 1260 C SER A 85 -3.999 -0.140 6.486 1.00 0.00 C ATOM 1261 O SER A 85 -3.054 -0.925 6.610 1.00 0.00 O ATOM 1262 CB SER A 85 -5.321 -0.523 8.600 1.00 0.00 C ATOM 1263 OG SER A 85 -6.513 -1.095 9.116 1.00 0.00 O ATOM 0 H SER A 85 -5.373 -2.559 6.979 1.00 0.00 H new ATOM 0 HA SER A 85 -6.072 0.310 6.785 1.00 0.00 H new ATOM 0 HB2 SER A 85 -4.460 -1.108 8.924 1.00 0.00 H new ATOM 0 HB3 SER A 85 -5.191 0.483 8.999 1.00 0.00 H new ATOM 0 HG SER A 85 -6.466 -1.122 10.095 1.00 0.00 H new ATOM 1269 N LEU A 86 -3.899 1.007 5.832 1.00 0.00 N ATOM 1270 CA LEU A 86 -2.652 1.419 5.207 1.00 0.00 C ATOM 1271 C LEU A 86 -1.991 2.552 5.974 1.00 0.00 C ATOM 1272 O LEU A 86 -2.608 3.584 6.233 1.00 0.00 O ATOM 1273 CB LEU A 86 -2.903 1.864 3.762 1.00 0.00 C ATOM 1274 CG LEU A 86 -3.473 0.794 2.829 1.00 0.00 C ATOM 1275 CD1 LEU A 86 -3.732 1.375 1.448 1.00 0.00 C ATOM 1276 CD2 LEU A 86 -2.525 -0.386 2.731 1.00 0.00 C ATOM 0 H LEU A 86 -4.667 1.669 5.720 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.982 0.559 5.216 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.589 2.711 3.776 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.963 2.222 3.343 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.419 0.447 3.244 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.137 0.600 0.797 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.447 2.194 1.526 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.797 1.748 1.029 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.947 -1.137 2.063 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.565 -0.050 2.339 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.381 -0.820 3.720 1.00 0.00 H new ATOM 1288 N THR A 87 -0.740 2.345 6.345 1.00 0.00 N ATOM 1289 CA THR A 87 0.026 3.358 7.048 1.00 0.00 C ATOM 1290 C THR A 87 0.992 4.012 6.066 1.00 0.00 C ATOM 1291 O THR A 87 2.066 3.469 5.778 1.00 0.00 O ATOM 1292 CB THR A 87 0.809 2.751 8.227 1.00 0.00 C ATOM 1293 OG1 THR A 87 0.134 1.577 8.703 1.00 0.00 O ATOM 1294 CG2 THR A 87 0.951 3.752 9.362 1.00 0.00 C ATOM 0 H THR A 87 -0.231 1.479 6.170 1.00 0.00 H new ATOM 0 HA THR A 87 -0.661 4.100 7.454 1.00 0.00 H new ATOM 0 HB THR A 87 1.806 2.487 7.875 1.00 0.00 H new ATOM 0 HG1 THR A 87 0.285 0.837 8.079 1.00 0.00 H new ATOM 0 HG21 THR A 87 1.508 3.297 10.181 1.00 0.00 H new ATOM 0 HG22 THR A 87 1.485 4.633 9.006 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.038 4.045 9.714 1.00 0.00 H new ATOM 1302 N VAL A 88 0.597 5.159 5.536 1.00 0.00 N ATOM 1303 CA VAL A 88 1.406 5.861 4.552 1.00 0.00 C ATOM 1304 C VAL A 88 2.202 7.004 5.167 1.00 0.00 C ATOM 1305 O VAL A 88 1.752 7.668 6.104 1.00 0.00 O ATOM 1306 CB VAL A 88 0.532 6.414 3.403 1.00 0.00 C ATOM 1307 CG1 VAL A 88 -0.176 5.280 2.673 1.00 0.00 C ATOM 1308 CG2 VAL A 88 -0.481 7.429 3.922 1.00 0.00 C ATOM 0 H VAL A 88 -0.280 5.624 5.771 1.00 0.00 H new ATOM 0 HA VAL A 88 2.108 5.127 4.157 1.00 0.00 H new ATOM 0 HB VAL A 88 1.189 6.923 2.698 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.786 5.690 1.868 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.564 4.598 2.256 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.814 4.739 3.372 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.082 7.801 3.092 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.131 6.952 4.655 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.045 8.261 4.391 1.00 0.00 H new ATOM 1318 N ALA A 89 3.394 7.206 4.639 1.00 0.00 N ATOM 1319 CA ALA A 89 4.272 8.265 5.089 1.00 0.00 C ATOM 1320 C ALA A 89 4.250 9.402 4.084 1.00 0.00 C ATOM 1321 O ALA A 89 4.729 9.255 2.955 1.00 0.00 O ATOM 1322 CB ALA A 89 5.687 7.742 5.267 1.00 0.00 C ATOM 0 H ALA A 89 3.780 6.638 3.885 1.00 0.00 H new ATOM 0 HA ALA A 89 3.922 8.633 6.053 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.334 8.551 5.606 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.689 6.942 6.007 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.055 7.357 4.316 1.00 0.00 H new ATOM 1328 N LYS A 90 3.684 10.524 4.487 1.00 0.00 N ATOM 1329 CA LYS A 90 3.587 11.685 3.622 1.00 0.00 C ATOM 1330 C LYS A 90 4.647 12.711 3.987 1.00 0.00 C ATOM 1331 O LYS A 90 4.476 13.404 5.012 1.00 0.00 O ATOM 1332 CB LYS A 90 2.200 12.311 3.735 1.00 0.00 C ATOM 1333 CG LYS A 90 1.070 11.295 3.694 1.00 0.00 C ATOM 1334 CD LYS A 90 -0.289 11.945 3.896 1.00 0.00 C ATOM 1335 CE LYS A 90 -0.672 12.835 2.724 1.00 0.00 C ATOM 1336 NZ LYS A 90 -0.792 12.065 1.458 1.00 0.00 N ATOM 1337 OXT LYS A 90 5.657 12.810 3.257 1.00 0.00 O ATOM 0 H LYS A 90 3.282 10.656 5.415 1.00 0.00 H new ATOM 0 HA LYS A 90 3.750 11.363 2.594 1.00 0.00 H new ATOM 0 HB2 LYS A 90 2.139 12.873 4.667 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.065 13.025 2.923 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.084 10.776 2.736 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.231 10.543 4.467 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -1.046 11.171 4.027 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -0.276 12.536 4.812 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.619 13.330 2.939 1.00 0.00 H new ATOM 0 HE3 LYS A 90 0.077 13.618 2.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -1.292 12.639 0.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 0.157 11.828 1.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.325 11.189 1.633 1.00 0.00 H new TER 1351 LYS A 90 HETATM 1352 C20 SUZ A 91 3.117 -4.217 -8.624 1.00 20.00 C HETATM 1353 C19 SUZ A 91 2.167 -3.205 -8.724 1.00 20.00 C HETATM 1354 C5 SUZ A 91 1.089 -3.318 -9.661 1.00 20.00 C HETATM 1355 C6 SUZ A 91 -0.180 -2.524 -9.415 1.00 20.00 C HETATM 1356 C7 SUZ A 91 -1.041 -2.759 -8.243 1.00 20.00 C HETATM 1357 C18 SUZ A 91 -0.722 -3.799 -7.134 1.00 20.00 C HETATM 1358 C17 SUZ A 91 0.258 -4.796 -6.928 1.00 20.00 C HETATM 1359 C16 SUZ A 91 0.220 -5.530 -5.794 1.00 20.00 C HETATM 1360 C15 SUZ A 91 -0.765 -5.315 -4.827 1.00 20.00 C HETATM 1361 F SUZ A 91 -0.770 -6.064 -3.712 1.00 20.00 F HETATM 1362 C14 SUZ A 91 -1.736 -4.341 -5.009 1.00 20.00 C HETATM 1363 C13 SUZ A 91 -1.702 -3.593 -6.154 1.00 20.00 C HETATM 1364 C10 SUZ A 91 -2.610 -2.469 -6.642 1.00 20.00 C HETATM 1365 C11 SUZ A 91 -3.730 -1.938 -5.700 1.00 20.00 C HETATM 1366 C12 SUZ A 91 -5.111 -2.122 -6.306 1.00 20.00 C HETATM 1367 O3 SUZ A 91 -5.393 -1.511 -7.445 1.00 20.00 O HETATM 1368 O2 SUZ A 91 -5.975 -2.811 -5.751 1.00 20.00 O HETATM 1369 C8 SUZ A 91 -2.253 -1.978 -7.849 1.00 20.00 C HETATM 1370 C9 SUZ A 91 -2.929 -0.897 -8.596 1.00 20.00 C HETATM 1371 C4 SUZ A 91 1.009 -4.441 -10.469 1.00 20.00 C HETATM 1372 C3 SUZ A 91 1.983 -5.479 -10.368 1.00 20.00 C HETATM 1373 C2 SUZ A 91 3.026 -5.367 -9.458 1.00 20.00 C HETATM 1374 S SUZ A 91 4.235 -6.607 -9.295 1.00 20.00 S HETATM 1375 O1 SUZ A 91 3.973 -7.498 -8.195 1.00 20.00 O HETATM 1376 C1 SUZ A 91 5.678 -5.660 -8.914 1.00 20.00 C HETATM 0 H11A SUZ A 91 -3.680 -2.461 -4.745 1.00 20.00 H new HETATM 0 H9B SUZ A 91 -2.232 -0.074 -8.756 1.00 20.00 H new HETATM 0 H9A SUZ A 91 -3.268 -1.278 -9.559 1.00 20.00 H new HETATM 0 H9 SUZ A 91 -3.786 -0.541 -8.024 1.00 20.00 H new HETATM 0 H6 SUZ A 91 -0.465 -1.753 -10.131 1.00 20.00 H new HETATM 0 H4 SUZ A 91 0.195 -4.532 -11.188 1.00 20.00 H new HETATM 0 H3 SUZ A 91 1.908 -6.360 -11.005 1.00 20.00 H new HETATM 0 H20 SUZ A 91 3.932 -4.129 -7.906 1.00 20.00 H new HETATM 0 H1B SUZ A 91 6.568 -6.251 -9.130 1.00 20.00 H new HETATM 0 H1A SUZ A 91 5.689 -4.754 -9.519 1.00 20.00 H new HETATM 0 H19 SUZ A 91 2.243 -2.324 -8.087 1.00 20.00 H new HETATM 0 H17 SUZ A 91 1.034 -4.971 -7.673 1.00 20.00 H new HETATM 0 H16 SUZ A 91 0.971 -6.303 -5.631 1.00 20.00 H new HETATM 0 H14 SUZ A 91 -2.508 -4.176 -4.257 1.00 20.00 H new HETATM 0 H11 SUZ A 91 -3.561 -0.881 -5.494 1.00 20.00 H new HETATM 0 H1 SUZ A 91 5.668 -5.391 -7.858 1.00 20.00 H new