USER MOD reduce.3.24.130724 H: found=0, std=0, add=972, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 972 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 Single : A 1 GLY N :NH3+ -111:sc= -0.253 (180deg=-1.52!) USER MOD Single : A 4 ASN : amide:sc= -3.59! K(o=-3.6!,f=0.032) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.128 K(o=-0.13,f=-0.64) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot -78:sc= 0.684 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 ASN : amide:sc= -0.0433 X(o=-0.043,f=0) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0009 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -170:sc= -2.24 (180deg=-2.44!) USER MOD Single : A 46 SER OG : rot 180:sc= 0.133 USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -161:sc= 1.02 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= -8.95! C(o=-9!,f=-9.8!) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.606 K(o=-0.61,f=-1.3) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.978 K(o=-0.98,f=-3.6!) USER MOD Single : A 83 ASN : amide:sc= -0.0507 X(o=-0.051,f=-0.0035) USER MOD Single : A 84 HIS : no HD1:sc= 1.01 K(o=1,f=-4!) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.00805 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot -43:sc= 0.172 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.0883 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 138:sc= -0.353 (180deg=-1.18!) USER MOD Single : A 119 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00306) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.642 -16.610 -17.763 1.00 0.00 N ATOM 2 CA GLY A 1 -7.186 -16.875 -16.403 1.00 0.00 C ATOM 3 C GLY A 1 -6.466 -16.084 -15.326 1.00 0.00 C ATOM 4 O GLY A 1 -5.690 -16.649 -14.556 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.345 -16.086 -18.322 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.772 -16.046 -17.685 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.428 -17.513 -18.233 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.247 -16.626 -16.384 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.105 -17.940 -16.183 1.00 0.00 H new ATOM 10 N PRO A 2 -6.706 -14.761 -15.250 1.00 0.00 N ATOM 11 CA PRO A 2 -6.066 -13.896 -14.251 1.00 0.00 C ATOM 12 C PRO A 2 -6.298 -14.386 -12.826 1.00 0.00 C ATOM 13 O PRO A 2 -7.272 -15.086 -12.550 1.00 0.00 O ATOM 14 CB PRO A 2 -6.742 -12.539 -14.464 1.00 0.00 C ATOM 15 CG PRO A 2 -7.240 -12.577 -15.867 1.00 0.00 C ATOM 16 CD PRO A 2 -7.616 -14.006 -16.129 1.00 0.00 C ATOM 0 HA PRO A 2 -4.983 -13.871 -14.372 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -7.559 -12.389 -13.758 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -6.039 -11.719 -14.316 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -8.098 -11.917 -15.995 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -6.472 -12.241 -16.564 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -8.661 -14.198 -15.887 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -7.477 -14.273 -17.177 1.00 0.00 H new ATOM 24 N VAL A 3 -5.394 -14.015 -11.925 1.00 0.00 N ATOM 25 CA VAL A 3 -5.499 -14.413 -10.527 1.00 0.00 C ATOM 26 C VAL A 3 -5.534 -13.197 -9.608 1.00 0.00 C ATOM 27 O VAL A 3 -6.265 -13.179 -8.618 1.00 0.00 O ATOM 28 CB VAL A 3 -4.327 -15.322 -10.112 1.00 0.00 C ATOM 29 CG1 VAL A 3 -4.546 -16.738 -10.622 1.00 0.00 C ATOM 30 CG2 VAL A 3 -3.007 -14.763 -10.623 1.00 0.00 C ATOM 0 H VAL A 3 -4.580 -13.439 -12.139 1.00 0.00 H new ATOM 0 HA VAL A 3 -6.433 -14.967 -10.427 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.283 -15.353 -9.023 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.709 -17.367 -10.320 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.470 -17.137 -10.202 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.617 -16.726 -11.710 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.192 -15.420 -10.319 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.036 -14.699 -11.711 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -2.847 -13.769 -10.206 1.00 0.00 H new ATOM 40 N ASN A 4 -4.736 -12.184 -9.945 1.00 0.00 N ATOM 41 CA ASN A 4 -4.672 -10.956 -9.156 1.00 0.00 C ATOM 42 C ASN A 4 -4.157 -11.241 -7.742 1.00 0.00 C ATOM 43 O ASN A 4 -4.872 -11.813 -6.921 1.00 0.00 O ATOM 44 CB ASN A 4 -6.051 -10.294 -9.085 1.00 0.00 C ATOM 45 CG ASN A 4 -5.965 -8.786 -8.952 1.00 0.00 C ATOM 46 OD1 ASN A 4 -6.637 -8.048 -9.673 1.00 0.00 O ATOM 47 ND2 ASN A 4 -5.137 -8.320 -8.025 1.00 0.00 N ATOM 0 H ASN A 4 -4.124 -12.191 -10.761 1.00 0.00 H new ATOM 0 HA ASN A 4 -3.976 -10.276 -9.647 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -6.617 -10.545 -9.982 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -6.602 -10.700 -8.236 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -5.039 -7.314 -7.888 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -4.599 -8.968 -7.449 1.00 0.00 H new ATOM 54 N PRO A 5 -2.904 -10.845 -7.441 1.00 0.00 N ATOM 55 CA PRO A 5 -2.304 -11.065 -6.119 1.00 0.00 C ATOM 56 C PRO A 5 -3.196 -10.576 -4.983 1.00 0.00 C ATOM 57 O PRO A 5 -3.171 -11.126 -3.882 1.00 0.00 O ATOM 58 CB PRO A 5 -1.012 -10.249 -6.174 1.00 0.00 C ATOM 59 CG PRO A 5 -0.665 -10.188 -7.620 1.00 0.00 C ATOM 60 CD PRO A 5 -1.974 -10.157 -8.359 1.00 0.00 C ATOM 0 HA PRO A 5 -2.147 -12.125 -5.917 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -1.156 -9.251 -5.759 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -0.219 -10.724 -5.596 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -0.071 -9.302 -7.842 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -0.070 -11.052 -7.915 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -2.295 -9.136 -8.565 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -1.905 -10.669 -9.319 1.00 0.00 H new ATOM 68 N ALA A 6 -3.982 -9.538 -5.255 1.00 0.00 N ATOM 69 CA ALA A 6 -4.881 -8.977 -4.253 1.00 0.00 C ATOM 70 C ALA A 6 -5.980 -9.969 -3.889 1.00 0.00 C ATOM 71 O ALA A 6 -6.382 -10.070 -2.729 1.00 0.00 O ATOM 72 CB ALA A 6 -5.486 -7.676 -4.756 1.00 0.00 C ATOM 0 H ALA A 6 -4.014 -9.069 -6.160 1.00 0.00 H new ATOM 0 HA ALA A 6 -4.301 -8.770 -3.354 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -6.155 -7.269 -3.998 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.690 -6.960 -4.960 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.047 -7.866 -5.671 1.00 0.00 H new ATOM 78 N GLU A 7 -6.462 -10.701 -4.889 1.00 0.00 N ATOM 79 CA GLU A 7 -7.515 -11.688 -4.676 1.00 0.00 C ATOM 80 C GLU A 7 -6.958 -12.945 -4.015 1.00 0.00 C ATOM 81 O GLU A 7 -7.537 -13.463 -3.060 1.00 0.00 O ATOM 82 CB GLU A 7 -8.178 -12.049 -6.007 1.00 0.00 C ATOM 83 CG GLU A 7 -9.236 -11.052 -6.450 1.00 0.00 C ATOM 84 CD GLU A 7 -9.840 -11.403 -7.796 1.00 0.00 C ATOM 85 OE1 GLU A 7 -9.285 -10.969 -8.827 1.00 0.00 O ATOM 86 OE2 GLU A 7 -10.868 -12.113 -7.819 1.00 0.00 O ATOM 0 H GLU A 7 -6.140 -10.629 -5.854 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.260 -11.251 -4.012 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.411 -12.119 -6.778 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.634 -13.035 -5.921 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.027 -11.010 -5.701 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.793 -10.057 -6.503 1.00 0.00 H new ATOM 93 N ASN A 8 -5.831 -13.429 -4.531 1.00 0.00 N ATOM 94 CA ASN A 8 -5.193 -14.626 -3.992 1.00 0.00 C ATOM 95 C ASN A 8 -4.794 -14.421 -2.534 1.00 0.00 C ATOM 96 O ASN A 8 -4.770 -15.368 -1.747 1.00 0.00 O ATOM 97 CB ASN A 8 -3.961 -14.990 -4.823 1.00 0.00 C ATOM 98 CG ASN A 8 -3.651 -16.474 -4.779 1.00 0.00 C ATOM 99 OD1 ASN A 8 -4.183 -17.255 -5.567 1.00 0.00 O ATOM 100 ND2 ASN A 8 -2.786 -16.870 -3.852 1.00 0.00 N ATOM 0 H ASN A 8 -5.341 -13.010 -5.322 1.00 0.00 H new ATOM 0 HA ASN A 8 -5.912 -15.444 -4.041 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -4.121 -14.686 -5.857 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -3.100 -14.431 -4.456 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -2.539 -17.856 -3.773 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -2.369 -16.188 -3.219 1.00 0.00 H new ATOM 107 N PHE A 9 -4.482 -13.178 -2.182 1.00 0.00 N ATOM 108 CA PHE A 9 -4.085 -12.846 -0.819 1.00 0.00 C ATOM 109 C PHE A 9 -5.304 -12.798 0.100 1.00 0.00 C ATOM 110 O PHE A 9 -5.301 -13.387 1.182 1.00 0.00 O ATOM 111 CB PHE A 9 -3.348 -11.501 -0.800 1.00 0.00 C ATOM 112 CG PHE A 9 -3.565 -10.694 0.451 1.00 0.00 C ATOM 113 CD1 PHE A 9 -2.911 -11.023 1.628 1.00 0.00 C ATOM 114 CD2 PHE A 9 -4.423 -9.606 0.448 1.00 0.00 C ATOM 115 CE1 PHE A 9 -3.109 -10.281 2.777 1.00 0.00 C ATOM 116 CE2 PHE A 9 -4.625 -8.861 1.593 1.00 0.00 C ATOM 117 CZ PHE A 9 -3.967 -9.199 2.760 1.00 0.00 C ATOM 0 H PHE A 9 -4.497 -12.384 -2.822 1.00 0.00 H new ATOM 0 HA PHE A 9 -3.412 -13.622 -0.453 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.280 -11.683 -0.920 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -3.669 -10.912 -1.659 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -2.239 -11.868 1.647 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.940 -9.337 -0.461 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -2.593 -10.547 3.688 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.296 -8.015 1.576 1.00 0.00 H new ATOM 0 HZ PHE A 9 -4.123 -8.618 3.657 1.00 0.00 H new ATOM 127 N ARG A 10 -6.342 -12.097 -0.343 1.00 0.00 N ATOM 128 CA ARG A 10 -7.568 -11.963 0.436 1.00 0.00 C ATOM 129 C ARG A 10 -8.201 -13.324 0.709 1.00 0.00 C ATOM 130 O ARG A 10 -8.781 -13.544 1.773 1.00 0.00 O ATOM 131 CB ARG A 10 -8.564 -11.063 -0.299 1.00 0.00 C ATOM 132 CG ARG A 10 -8.397 -9.586 0.018 1.00 0.00 C ATOM 133 CD ARG A 10 -9.485 -8.750 -0.633 1.00 0.00 C ATOM 134 NE ARG A 10 -9.228 -7.318 -0.502 1.00 0.00 N ATOM 135 CZ ARG A 10 -10.187 -6.399 -0.442 1.00 0.00 C ATOM 136 NH1 ARG A 10 -11.462 -6.760 -0.501 1.00 0.00 N ATOM 137 NH2 ARG A 10 -9.871 -5.116 -0.324 1.00 0.00 N ATOM 0 H ARG A 10 -6.359 -11.612 -1.240 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.310 -11.509 1.393 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.451 -11.211 -1.373 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -9.578 -11.369 -0.040 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -8.421 -9.440 1.098 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.420 -9.247 -0.328 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -9.559 -9.010 -1.689 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -10.446 -8.989 -0.178 1.00 0.00 H new ATOM 0 HE ARG A 10 -8.258 -7.005 -0.454 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -11.709 -7.745 -0.593 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -12.195 -6.052 -0.455 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -8.892 -4.834 -0.279 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -10.607 -4.412 -0.278 1.00 0.00 H new ATOM 151 N VAL A 11 -8.089 -14.234 -0.254 1.00 0.00 N ATOM 152 CA VAL A 11 -8.660 -15.567 -0.101 1.00 0.00 C ATOM 153 C VAL A 11 -7.770 -16.457 0.763 1.00 0.00 C ATOM 154 O VAL A 11 -8.261 -17.181 1.627 1.00 0.00 O ATOM 155 CB VAL A 11 -8.895 -16.251 -1.465 1.00 0.00 C ATOM 156 CG1 VAL A 11 -9.910 -15.470 -2.285 1.00 0.00 C ATOM 157 CG2 VAL A 11 -7.589 -16.402 -2.228 1.00 0.00 C ATOM 0 H VAL A 11 -7.612 -14.074 -1.141 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.623 -15.436 0.393 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.295 -17.248 -1.282 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -10.063 -15.967 -3.243 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -10.856 -15.424 -1.745 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.540 -14.459 -2.455 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -7.781 -16.886 -3.185 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -7.152 -15.418 -2.400 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.896 -17.010 -1.646 1.00 0.00 H new ATOM 167 N LEU A 12 -6.463 -16.400 0.521 1.00 0.00 N ATOM 168 CA LEU A 12 -5.505 -17.200 1.281 1.00 0.00 C ATOM 169 C LEU A 12 -5.603 -16.908 2.776 1.00 0.00 C ATOM 170 O LEU A 12 -5.317 -17.772 3.605 1.00 0.00 O ATOM 171 CB LEU A 12 -4.081 -16.928 0.793 1.00 0.00 C ATOM 172 CG LEU A 12 -3.010 -17.856 1.370 1.00 0.00 C ATOM 173 CD1 LEU A 12 -2.467 -18.779 0.291 1.00 0.00 C ATOM 174 CD2 LEU A 12 -1.886 -17.047 1.999 1.00 0.00 C ATOM 0 H LEU A 12 -6.042 -15.808 -0.195 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.747 -18.251 1.120 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.064 -17.010 -0.294 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.819 -15.899 1.039 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.467 -18.469 2.147 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.706 -19.432 0.719 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.279 -19.384 -0.113 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.026 -18.184 -0.509 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.133 -17.723 2.404 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.430 -16.408 1.243 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.288 -16.429 2.802 1.00 0.00 H new ATOM 186 N VAL A 13 -6.008 -15.688 3.114 1.00 0.00 N ATOM 187 CA VAL A 13 -6.139 -15.292 4.513 1.00 0.00 C ATOM 188 C VAL A 13 -7.570 -15.485 4.999 1.00 0.00 C ATOM 189 O VAL A 13 -7.876 -15.249 6.169 1.00 0.00 O ATOM 190 CB VAL A 13 -5.725 -13.825 4.739 1.00 0.00 C ATOM 191 CG1 VAL A 13 -4.232 -13.648 4.507 1.00 0.00 C ATOM 192 CG2 VAL A 13 -6.527 -12.896 3.841 1.00 0.00 C ATOM 0 H VAL A 13 -6.250 -14.959 2.443 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.467 -15.933 5.083 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.941 -13.563 5.775 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.959 -12.606 4.671 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.678 -14.282 5.200 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.987 -13.930 3.483 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.219 -11.865 4.016 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.349 -13.155 2.797 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.589 -13.001 4.065 1.00 0.00 H new ATOM 202 N LYS A 14 -8.444 -15.916 4.093 1.00 0.00 N ATOM 203 CA LYS A 14 -9.847 -16.136 4.431 1.00 0.00 C ATOM 204 C LYS A 14 -10.253 -17.598 4.237 1.00 0.00 C ATOM 205 O LYS A 14 -11.318 -17.885 3.686 1.00 0.00 O ATOM 206 CB LYS A 14 -10.741 -15.231 3.580 1.00 0.00 C ATOM 207 CG LYS A 14 -10.881 -13.822 4.134 1.00 0.00 C ATOM 208 CD LYS A 14 -12.307 -13.311 4.002 1.00 0.00 C ATOM 209 CE LYS A 14 -12.343 -11.809 3.777 1.00 0.00 C ATOM 210 NZ LYS A 14 -13.173 -11.443 2.596 1.00 0.00 N ATOM 0 H LYS A 14 -8.206 -16.119 3.122 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.976 -15.890 5.485 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.334 -15.177 2.570 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -11.730 -15.682 3.501 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -10.585 -13.811 5.183 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.203 -13.153 3.605 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -12.800 -13.816 3.171 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -12.868 -13.558 4.903 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -12.740 -11.318 4.666 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -11.328 -11.439 3.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -13.171 -10.410 2.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -12.780 -11.890 1.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -14.148 -11.773 2.741 1.00 0.00 H new ATOM 224 N GLN A 15 -9.406 -18.521 4.689 1.00 0.00 N ATOM 225 CA GLN A 15 -9.702 -19.948 4.566 1.00 0.00 C ATOM 226 C GLN A 15 -9.849 -20.593 5.940 1.00 0.00 C ATOM 227 O GLN A 15 -10.816 -21.309 6.198 1.00 0.00 O ATOM 228 CB GLN A 15 -8.597 -20.667 3.786 1.00 0.00 C ATOM 229 CG GLN A 15 -7.993 -19.834 2.669 1.00 0.00 C ATOM 230 CD GLN A 15 -7.186 -20.668 1.692 1.00 0.00 C ATOM 231 OE1 GLN A 15 -5.957 -20.628 1.692 1.00 0.00 O ATOM 232 NE2 GLN A 15 -7.879 -21.429 0.853 1.00 0.00 N ATOM 0 H GLN A 15 -8.516 -18.309 5.140 1.00 0.00 H new ATOM 0 HA GLN A 15 -10.643 -20.043 4.025 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.807 -20.957 4.478 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -9.003 -21.586 3.363 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -8.790 -19.321 2.131 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -7.353 -19.064 3.100 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -8.898 -21.430 0.889 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -7.392 -22.012 0.172 1.00 0.00 H new ATOM 241 N LYS A 16 -8.884 -20.318 6.815 1.00 0.00 N ATOM 242 CA LYS A 16 -8.878 -20.864 8.169 1.00 0.00 C ATOM 243 C LYS A 16 -7.563 -20.528 8.861 1.00 0.00 C ATOM 244 O LYS A 16 -7.547 -20.075 10.005 1.00 0.00 O ATOM 245 CB LYS A 16 -9.078 -22.385 8.140 1.00 0.00 C ATOM 246 CG LYS A 16 -8.608 -23.089 9.403 1.00 0.00 C ATOM 247 CD LYS A 16 -9.419 -24.346 9.675 1.00 0.00 C ATOM 248 CE LYS A 16 -10.162 -24.254 10.998 1.00 0.00 C ATOM 249 NZ LYS A 16 -10.776 -25.554 11.381 1.00 0.00 N ATOM 0 H LYS A 16 -8.089 -19.714 6.607 1.00 0.00 H new ATOM 0 HA LYS A 16 -9.701 -20.416 8.725 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.136 -22.600 7.987 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.542 -22.797 7.285 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.554 -23.349 9.305 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.691 -22.410 10.252 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -10.132 -24.502 8.866 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.757 -25.212 9.688 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.473 -23.934 11.780 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.939 -23.493 10.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.273 -25.449 12.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.452 -25.848 10.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.032 -26.275 11.475 1.00 0.00 H new ATOM 263 N LYS A 17 -6.462 -20.749 8.148 1.00 0.00 N ATOM 264 CA LYS A 17 -5.138 -20.477 8.668 1.00 0.00 C ATOM 265 C LYS A 17 -4.189 -20.158 7.522 1.00 0.00 C ATOM 266 O LYS A 17 -4.397 -20.593 6.389 1.00 0.00 O ATOM 267 CB LYS A 17 -4.608 -21.670 9.464 1.00 0.00 C ATOM 268 CG LYS A 17 -5.065 -21.690 10.914 1.00 0.00 C ATOM 269 CD LYS A 17 -5.464 -23.091 11.352 1.00 0.00 C ATOM 270 CE LYS A 17 -5.950 -23.105 12.792 1.00 0.00 C ATOM 271 NZ LYS A 17 -5.490 -24.319 13.522 1.00 0.00 N ATOM 0 H LYS A 17 -6.469 -21.120 7.198 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.201 -19.619 9.337 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.930 -22.591 8.978 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.518 -21.659 9.436 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.264 -21.322 11.555 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.910 -21.013 11.040 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.250 -23.468 10.698 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.612 -23.763 11.247 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.589 -22.214 13.306 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.039 -23.063 12.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.842 -24.290 14.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.855 -25.169 13.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.450 -24.347 13.529 1.00 0.00 H new ATOM 285 N ALA A 18 -3.146 -19.413 7.842 1.00 0.00 N ATOM 286 CA ALA A 18 -2.139 -19.002 6.865 1.00 0.00 C ATOM 287 C ALA A 18 -1.215 -17.954 7.466 1.00 0.00 C ATOM 288 O ALA A 18 -0.090 -17.762 7.002 1.00 0.00 O ATOM 289 CB ALA A 18 -2.796 -18.456 5.605 1.00 0.00 C ATOM 0 H ALA A 18 -2.968 -19.072 8.787 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.552 -19.880 6.595 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.026 -18.157 4.894 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -3.423 -19.227 5.158 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.410 -17.592 5.860 1.00 0.00 H new ATOM 295 N SER A 19 -1.710 -17.271 8.497 1.00 0.00 N ATOM 296 CA SER A 19 -0.948 -16.230 9.181 1.00 0.00 C ATOM 297 C SER A 19 -0.806 -14.999 8.292 1.00 0.00 C ATOM 298 O SER A 19 -0.219 -15.065 7.213 1.00 0.00 O ATOM 299 CB SER A 19 0.433 -16.747 9.593 1.00 0.00 C ATOM 300 OG SER A 19 0.354 -18.068 10.100 1.00 0.00 O ATOM 0 H SER A 19 -2.644 -17.423 8.879 1.00 0.00 H new ATOM 0 HA SER A 19 -1.493 -15.950 10.082 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.104 -16.723 8.735 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.860 -16.089 10.350 1.00 0.00 H new ATOM 0 HG SER A 19 1.249 -18.375 10.354 1.00 0.00 H new ATOM 306 N PHE A 20 -1.351 -13.879 8.758 1.00 0.00 N ATOM 307 CA PHE A 20 -1.296 -12.628 8.008 1.00 0.00 C ATOM 308 C PHE A 20 0.143 -12.266 7.649 1.00 0.00 C ATOM 309 O PHE A 20 0.403 -11.710 6.584 1.00 0.00 O ATOM 310 CB PHE A 20 -1.933 -11.498 8.817 1.00 0.00 C ATOM 311 CG PHE A 20 -2.307 -10.299 7.992 1.00 0.00 C ATOM 312 CD1 PHE A 20 -3.544 -10.227 7.370 1.00 0.00 C ATOM 313 CD2 PHE A 20 -1.421 -9.245 7.838 1.00 0.00 C ATOM 314 CE1 PHE A 20 -3.889 -9.125 6.612 1.00 0.00 C ATOM 315 CE2 PHE A 20 -1.762 -8.140 7.081 1.00 0.00 C ATOM 316 CZ PHE A 20 -2.997 -8.080 6.466 1.00 0.00 C ATOM 0 H PHE A 20 -1.836 -13.812 9.653 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.855 -12.765 7.082 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -2.825 -11.878 9.314 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.240 -11.188 9.599 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.245 -11.041 7.479 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.453 -9.287 8.315 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.856 -9.080 6.133 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.063 -7.324 6.971 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.265 -7.218 5.872 1.00 0.00 H new ATOM 326 N GLU A 21 1.068 -12.575 8.552 1.00 0.00 N ATOM 327 CA GLU A 21 2.485 -12.288 8.338 1.00 0.00 C ATOM 328 C GLU A 21 2.971 -12.808 6.985 1.00 0.00 C ATOM 329 O GLU A 21 3.479 -12.042 6.166 1.00 0.00 O ATOM 330 CB GLU A 21 3.323 -12.903 9.460 1.00 0.00 C ATOM 331 CG GLU A 21 4.480 -12.025 9.906 1.00 0.00 C ATOM 332 CD GLU A 21 4.282 -11.465 11.301 1.00 0.00 C ATOM 333 OE1 GLU A 21 4.388 -12.241 12.274 1.00 0.00 O ATOM 334 OE2 GLU A 21 4.021 -10.249 11.420 1.00 0.00 O ATOM 0 H GLU A 21 0.862 -13.026 9.443 1.00 0.00 H new ATOM 0 HA GLU A 21 2.605 -11.205 8.344 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.678 -13.103 10.316 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.715 -13.863 9.125 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.403 -12.605 9.879 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.599 -11.202 9.201 1.00 0.00 H new ATOM 341 N GLU A 22 2.822 -14.110 6.759 1.00 0.00 N ATOM 342 CA GLU A 22 3.253 -14.726 5.507 1.00 0.00 C ATOM 343 C GLU A 22 2.623 -14.037 4.299 1.00 0.00 C ATOM 344 O GLU A 22 3.318 -13.670 3.350 1.00 0.00 O ATOM 345 CB GLU A 22 2.894 -16.213 5.500 1.00 0.00 C ATOM 346 CG GLU A 22 4.093 -17.128 5.316 1.00 0.00 C ATOM 347 CD GLU A 22 3.934 -18.451 6.040 1.00 0.00 C ATOM 348 OE1 GLU A 22 3.215 -19.329 5.519 1.00 0.00 O ATOM 349 OE2 GLU A 22 4.529 -18.608 7.127 1.00 0.00 O ATOM 0 H GLU A 22 2.406 -14.760 7.426 1.00 0.00 H new ATOM 0 HA GLU A 22 4.335 -14.612 5.436 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.398 -16.463 6.438 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.178 -16.401 4.700 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.242 -17.316 4.253 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.989 -16.624 5.680 1.00 0.00 H new ATOM 356 N ALA A 23 1.305 -13.865 4.343 1.00 0.00 N ATOM 357 CA ALA A 23 0.578 -13.228 3.251 1.00 0.00 C ATOM 358 C ALA A 23 1.057 -11.797 3.027 1.00 0.00 C ATOM 359 O ALA A 23 1.150 -11.335 1.888 1.00 0.00 O ATOM 360 CB ALA A 23 -0.916 -13.247 3.532 1.00 0.00 C ATOM 0 H ALA A 23 0.719 -14.158 5.124 1.00 0.00 H new ATOM 0 HA ALA A 23 0.775 -13.794 2.340 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.447 -12.768 2.709 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.254 -14.278 3.631 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.119 -12.708 4.457 1.00 0.00 H new ATOM 366 N SER A 24 1.364 -11.102 4.118 1.00 0.00 N ATOM 367 CA SER A 24 1.828 -9.724 4.039 1.00 0.00 C ATOM 368 C SER A 24 3.193 -9.657 3.366 1.00 0.00 C ATOM 369 O SER A 24 3.389 -8.906 2.412 1.00 0.00 O ATOM 370 CB SER A 24 1.899 -9.103 5.437 1.00 0.00 C ATOM 371 OG SER A 24 3.135 -9.394 6.067 1.00 0.00 O ATOM 0 H SER A 24 1.299 -11.472 5.066 1.00 0.00 H new ATOM 0 HA SER A 24 1.116 -9.157 3.439 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.771 -8.023 5.365 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.079 -9.481 6.048 1.00 0.00 H new ATOM 0 HG SER A 24 3.121 -10.313 6.406 1.00 0.00 H new ATOM 377 N ASN A 25 4.134 -10.446 3.875 1.00 0.00 N ATOM 378 CA ASN A 25 5.481 -10.487 3.319 1.00 0.00 C ATOM 379 C ASN A 25 5.435 -10.774 1.823 1.00 0.00 C ATOM 380 O ASN A 25 6.085 -10.092 1.030 1.00 0.00 O ATOM 381 CB ASN A 25 6.319 -11.551 4.031 1.00 0.00 C ATOM 382 CG ASN A 25 7.241 -10.955 5.077 1.00 0.00 C ATOM 383 OD1 ASN A 25 8.326 -10.468 4.760 1.00 0.00 O ATOM 384 ND2 ASN A 25 6.813 -10.993 6.334 1.00 0.00 N ATOM 0 H ASN A 25 3.988 -11.066 4.672 1.00 0.00 H new ATOM 0 HA ASN A 25 5.944 -9.512 3.473 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.656 -12.275 4.505 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.912 -12.095 3.296 1.00 0.00 H new ATOM 0 HD21 ASN A 25 7.391 -10.609 7.081 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.906 -11.406 6.552 1.00 0.00 H new ATOM 391 N GLN A 26 4.666 -11.790 1.445 1.00 0.00 N ATOM 392 CA GLN A 26 4.532 -12.166 0.041 1.00 0.00 C ATOM 393 C GLN A 26 3.987 -11.005 -0.785 1.00 0.00 C ATOM 394 O GLN A 26 4.522 -10.678 -1.845 1.00 0.00 O ATOM 395 CB GLN A 26 3.614 -13.381 -0.099 1.00 0.00 C ATOM 396 CG GLN A 26 4.157 -14.450 -1.033 1.00 0.00 C ATOM 397 CD GLN A 26 3.406 -15.762 -0.915 1.00 0.00 C ATOM 398 OE1 GLN A 26 3.639 -16.543 0.007 1.00 0.00 O ATOM 399 NE2 GLN A 26 2.499 -16.011 -1.852 1.00 0.00 N ATOM 0 H GLN A 26 4.127 -12.367 2.090 1.00 0.00 H new ATOM 0 HA GLN A 26 5.522 -12.422 -0.335 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.452 -13.819 0.886 1.00 0.00 H new ATOM 0 HB3 GLN A 26 2.642 -13.051 -0.465 1.00 0.00 H new ATOM 0 HG2 GLN A 26 4.098 -14.093 -2.061 1.00 0.00 H new ATOM 0 HG3 GLN A 26 5.211 -14.618 -0.813 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.338 -15.335 -2.599 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.963 -16.878 -1.825 1.00 0.00 H new ATOM 408 N LEU A 27 2.915 -10.391 -0.294 1.00 0.00 N ATOM 409 CA LEU A 27 2.293 -9.265 -0.981 1.00 0.00 C ATOM 410 C LEU A 27 3.296 -8.137 -1.209 1.00 0.00 C ATOM 411 O LEU A 27 3.413 -7.617 -2.319 1.00 0.00 O ATOM 412 CB LEU A 27 1.097 -8.748 -0.176 1.00 0.00 C ATOM 413 CG LEU A 27 -0.106 -8.284 -1.006 1.00 0.00 C ATOM 414 CD1 LEU A 27 0.252 -7.058 -1.830 1.00 0.00 C ATOM 415 CD2 LEU A 27 -0.608 -9.405 -1.905 1.00 0.00 C ATOM 0 H LEU A 27 2.458 -10.655 0.579 1.00 0.00 H new ATOM 0 HA LEU A 27 1.946 -9.614 -1.953 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.767 -9.537 0.500 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.431 -7.916 0.444 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.908 -8.014 -0.319 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.615 -6.745 -2.412 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.555 -6.249 -1.166 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.073 -7.300 -2.505 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.462 -9.052 -2.484 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.188 -9.712 -2.583 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.911 -10.254 -1.293 1.00 0.00 H new ATOM 427 N ILE A 28 4.017 -7.762 -0.155 1.00 0.00 N ATOM 428 CA ILE A 28 5.004 -6.694 -0.247 1.00 0.00 C ATOM 429 C ILE A 28 6.113 -7.047 -1.236 1.00 0.00 C ATOM 430 O ILE A 28 6.615 -6.178 -1.950 1.00 0.00 O ATOM 431 CB ILE A 28 5.611 -6.370 1.141 1.00 0.00 C ATOM 432 CG1 ILE A 28 5.669 -4.856 1.349 1.00 0.00 C ATOM 433 CG2 ILE A 28 6.996 -6.984 1.303 1.00 0.00 C ATOM 434 CD1 ILE A 28 4.336 -4.249 1.725 1.00 0.00 C ATOM 0 H ILE A 28 3.935 -8.182 0.771 1.00 0.00 H new ATOM 0 HA ILE A 28 4.486 -5.807 -0.613 1.00 0.00 H new ATOM 0 HB ILE A 28 4.965 -6.810 1.901 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.395 -4.632 2.130 1.00 0.00 H new ATOM 0 HG13 ILE A 28 6.029 -4.385 0.435 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.391 -6.736 2.288 1.00 0.00 H new ATOM 0 HG22 ILE A 28 6.928 -8.067 1.201 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.661 -6.589 0.535 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.450 -3.173 1.857 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.612 -4.442 0.934 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.983 -4.693 2.656 1.00 0.00 H new ATOM 446 N ASN A 29 6.491 -8.323 -1.276 1.00 0.00 N ATOM 447 CA ASN A 29 7.537 -8.776 -2.186 1.00 0.00 C ATOM 448 C ASN A 29 7.078 -8.627 -3.629 1.00 0.00 C ATOM 449 O ASN A 29 7.819 -8.133 -4.480 1.00 0.00 O ATOM 450 CB ASN A 29 7.899 -10.235 -1.898 1.00 0.00 C ATOM 451 CG ASN A 29 9.392 -10.485 -1.981 1.00 0.00 C ATOM 452 OD1 ASN A 29 9.862 -11.233 -2.838 1.00 0.00 O ATOM 453 ND2 ASN A 29 10.147 -9.860 -1.085 1.00 0.00 N ATOM 0 H ASN A 29 6.090 -9.057 -0.692 1.00 0.00 H new ATOM 0 HA ASN A 29 8.422 -8.159 -2.032 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.542 -10.506 -0.904 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.385 -10.882 -2.609 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.158 -9.991 -1.090 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.715 -9.249 -0.392 1.00 0.00 H new ATOM 460 N HIS A 30 5.850 -9.059 -3.896 1.00 0.00 N ATOM 461 CA HIS A 30 5.283 -8.962 -5.234 1.00 0.00 C ATOM 462 C HIS A 30 5.259 -7.508 -5.684 1.00 0.00 C ATOM 463 O HIS A 30 5.632 -7.188 -6.813 1.00 0.00 O ATOM 464 CB HIS A 30 3.869 -9.545 -5.260 1.00 0.00 C ATOM 465 CG HIS A 30 3.807 -10.936 -5.812 1.00 0.00 C ATOM 466 ND1 HIS A 30 3.717 -11.206 -7.161 1.00 0.00 N ATOM 467 CD2 HIS A 30 3.822 -12.139 -5.190 1.00 0.00 C ATOM 468 CE1 HIS A 30 3.679 -12.515 -7.346 1.00 0.00 C ATOM 469 NE2 HIS A 30 3.742 -13.103 -6.164 1.00 0.00 N ATOM 0 H HIS A 30 5.230 -9.479 -3.204 1.00 0.00 H new ATOM 0 HA HIS A 30 5.906 -9.536 -5.920 1.00 0.00 H new ATOM 0 HB2 HIS A 30 3.466 -9.546 -4.247 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.228 -8.897 -5.857 1.00 0.00 H new ATOM 0 HD2 HIS A 30 3.885 -12.308 -4.125 1.00 0.00 H new ATOM 0 HE1 HIS A 30 3.609 -13.017 -8.299 1.00 0.00 H new ATOM 0 HE2 HIS A 30 3.733 -14.110 -6.002 1.00 0.00 H new ATOM 478 N ILE A 31 4.814 -6.630 -4.788 1.00 0.00 N ATOM 479 CA ILE A 31 4.754 -5.204 -5.084 1.00 0.00 C ATOM 480 C ILE A 31 6.135 -4.680 -5.460 1.00 0.00 C ATOM 481 O ILE A 31 6.300 -4.011 -6.481 1.00 0.00 O ATOM 482 CB ILE A 31 4.216 -4.397 -3.885 1.00 0.00 C ATOM 483 CG1 ILE A 31 2.777 -4.808 -3.566 1.00 0.00 C ATOM 484 CG2 ILE A 31 4.294 -2.903 -4.170 1.00 0.00 C ATOM 485 CD1 ILE A 31 2.289 -4.308 -2.223 1.00 0.00 C ATOM 0 H ILE A 31 4.491 -6.882 -3.854 1.00 0.00 H new ATOM 0 HA ILE A 31 4.070 -5.077 -5.923 1.00 0.00 H new ATOM 0 HB ILE A 31 4.837 -4.614 -3.016 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.118 -4.429 -4.347 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.705 -5.895 -3.588 1.00 0.00 H new ATOM 0 HG21 ILE A 31 3.910 -2.349 -3.313 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.331 -2.621 -4.350 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.696 -2.669 -5.051 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.262 -4.637 -2.064 1.00 0.00 H new ATOM 0 HD12 ILE A 31 2.925 -4.708 -1.433 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.328 -3.219 -2.204 1.00 0.00 H new ATOM 497 N GLU A 32 7.124 -4.989 -4.624 1.00 0.00 N ATOM 498 CA GLU A 32 8.496 -4.558 -4.867 1.00 0.00 C ATOM 499 C GLU A 32 8.956 -4.981 -6.258 1.00 0.00 C ATOM 500 O GLU A 32 9.551 -4.192 -6.992 1.00 0.00 O ATOM 501 CB GLU A 32 9.432 -5.144 -3.808 1.00 0.00 C ATOM 502 CG GLU A 32 9.387 -4.404 -2.480 1.00 0.00 C ATOM 503 CD GLU A 32 10.369 -4.963 -1.469 1.00 0.00 C ATOM 504 OE1 GLU A 32 11.547 -4.548 -1.494 1.00 0.00 O ATOM 505 OE2 GLU A 32 9.959 -5.813 -0.651 1.00 0.00 O ATOM 0 H GLU A 32 6.999 -5.536 -3.772 1.00 0.00 H new ATOM 0 HA GLU A 32 8.527 -3.470 -4.806 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.170 -6.189 -3.641 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.453 -5.128 -4.189 1.00 0.00 H new ATOM 0 HG2 GLU A 32 9.605 -3.349 -2.648 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.378 -4.460 -2.071 1.00 0.00 H new ATOM 512 N GLN A 33 8.673 -6.232 -6.613 1.00 0.00 N ATOM 513 CA GLN A 33 9.048 -6.757 -7.919 1.00 0.00 C ATOM 514 C GLN A 33 8.415 -5.922 -9.025 1.00 0.00 C ATOM 515 O GLN A 33 9.077 -5.554 -9.997 1.00 0.00 O ATOM 516 CB GLN A 33 8.613 -8.218 -8.053 1.00 0.00 C ATOM 517 CG GLN A 33 9.494 -9.188 -7.283 1.00 0.00 C ATOM 518 CD GLN A 33 10.538 -9.849 -8.162 1.00 0.00 C ATOM 519 OE1 GLN A 33 11.557 -9.246 -8.497 1.00 0.00 O ATOM 520 NE2 GLN A 33 10.288 -11.097 -8.541 1.00 0.00 N ATOM 0 H GLN A 33 8.186 -6.899 -6.014 1.00 0.00 H new ATOM 0 HA GLN A 33 10.133 -6.705 -8.013 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.586 -8.316 -7.702 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.617 -8.495 -9.107 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.991 -8.656 -6.472 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.870 -9.956 -6.826 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.430 -11.559 -8.240 1.00 0.00 H new ATOM 0 HE22 GLN A 33 10.954 -11.593 -9.133 1.00 0.00 H new ATOM 529 N PHE A 34 7.127 -5.637 -8.871 1.00 0.00 N ATOM 530 CA PHE A 34 6.398 -4.834 -9.844 1.00 0.00 C ATOM 531 C PHE A 34 7.082 -3.487 -10.052 1.00 0.00 C ATOM 532 O PHE A 34 7.042 -2.921 -11.145 1.00 0.00 O ATOM 533 CB PHE A 34 4.954 -4.620 -9.383 1.00 0.00 C ATOM 534 CG PHE A 34 4.005 -5.682 -9.859 1.00 0.00 C ATOM 535 CD1 PHE A 34 3.647 -5.762 -11.195 1.00 0.00 C ATOM 536 CD2 PHE A 34 3.471 -6.601 -8.970 1.00 0.00 C ATOM 537 CE1 PHE A 34 2.774 -6.737 -11.636 1.00 0.00 C ATOM 538 CE2 PHE A 34 2.597 -7.579 -9.405 1.00 0.00 C ATOM 539 CZ PHE A 34 2.248 -7.648 -10.740 1.00 0.00 C ATOM 0 H PHE A 34 6.566 -5.951 -8.080 1.00 0.00 H new ATOM 0 HA PHE A 34 6.392 -5.372 -10.792 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.931 -4.586 -8.294 1.00 0.00 H new ATOM 0 HB3 PHE A 34 4.608 -3.650 -9.739 1.00 0.00 H new ATOM 0 HD1 PHE A 34 4.056 -5.053 -11.900 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.741 -6.552 -7.925 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.503 -6.787 -12.680 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.187 -8.289 -8.702 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.566 -8.412 -11.082 1.00 0.00 H new ATOM 549 N LEU A 35 7.712 -2.979 -8.995 1.00 0.00 N ATOM 550 CA LEU A 35 8.410 -1.699 -9.060 1.00 0.00 C ATOM 551 C LEU A 35 9.804 -1.872 -9.659 1.00 0.00 C ATOM 552 O LEU A 35 10.417 -0.910 -10.122 1.00 0.00 O ATOM 553 CB LEU A 35 8.520 -1.081 -7.664 1.00 0.00 C ATOM 554 CG LEU A 35 7.186 -0.779 -6.982 1.00 0.00 C ATOM 555 CD1 LEU A 35 7.243 -1.155 -5.509 1.00 0.00 C ATOM 556 CD2 LEU A 35 6.825 0.689 -7.144 1.00 0.00 C ATOM 0 H LEU A 35 7.753 -3.435 -8.084 1.00 0.00 H new ATOM 0 HA LEU A 35 7.834 -1.032 -9.702 1.00 0.00 H new ATOM 0 HB2 LEU A 35 9.091 -1.758 -7.028 1.00 0.00 H new ATOM 0 HB3 LEU A 35 9.091 -0.155 -7.737 1.00 0.00 H new ATOM 0 HG LEU A 35 6.411 -1.379 -7.460 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.285 -0.933 -5.039 1.00 0.00 H new ATOM 0 HD12 LEU A 35 7.456 -2.220 -5.413 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.029 -0.582 -5.017 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.872 0.886 -6.652 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.601 1.307 -6.692 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.742 0.929 -8.204 1.00 0.00 H new ATOM 568 N ASP A 36 10.294 -3.107 -9.646 1.00 0.00 N ATOM 569 CA ASP A 36 11.615 -3.415 -10.183 1.00 0.00 C ATOM 570 C ASP A 36 11.600 -3.416 -11.708 1.00 0.00 C ATOM 571 O ASP A 36 12.625 -3.655 -12.348 1.00 0.00 O ATOM 572 CB ASP A 36 12.092 -4.774 -9.665 1.00 0.00 C ATOM 573 CG ASP A 36 13.590 -4.956 -9.814 1.00 0.00 C ATOM 574 OD1 ASP A 36 14.337 -4.468 -8.939 1.00 0.00 O ATOM 575 OD2 ASP A 36 14.016 -5.585 -10.804 1.00 0.00 O ATOM 0 H ASP A 36 9.795 -3.913 -9.269 1.00 0.00 H new ATOM 0 HA ASP A 36 12.305 -2.641 -9.848 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.819 -4.876 -8.615 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.577 -5.567 -10.206 1.00 0.00 H new ATOM 580 N THR A 37 10.434 -3.148 -12.287 1.00 0.00 N ATOM 581 CA THR A 37 10.283 -3.116 -13.731 1.00 0.00 C ATOM 582 C THR A 37 9.325 -2.009 -14.145 1.00 0.00 C ATOM 583 O THR A 37 8.252 -1.849 -13.565 1.00 0.00 O ATOM 584 CB THR A 37 9.765 -4.461 -14.275 1.00 0.00 C ATOM 585 OG1 THR A 37 9.003 -5.137 -13.267 1.00 0.00 O ATOM 586 CG2 THR A 37 10.919 -5.344 -14.722 1.00 0.00 C ATOM 0 H THR A 37 9.577 -2.949 -11.771 1.00 0.00 H new ATOM 0 HA THR A 37 11.269 -2.924 -14.153 1.00 0.00 H new ATOM 0 HB THR A 37 9.128 -4.258 -15.136 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.676 -5.990 -13.621 1.00 0.00 H new ATOM 0 HG21 THR A 37 10.529 -6.288 -15.102 1.00 0.00 H new ATOM 0 HG22 THR A 37 11.479 -4.840 -15.509 1.00 0.00 H new ATOM 0 HG23 THR A 37 11.578 -5.538 -13.875 1.00 0.00 H new ATOM 594 N ASN A 38 9.726 -1.253 -15.153 1.00 0.00 N ATOM 595 CA ASN A 38 8.914 -0.153 -15.660 1.00 0.00 C ATOM 596 C ASN A 38 7.874 -0.665 -16.650 1.00 0.00 C ATOM 597 O ASN A 38 8.217 -1.155 -17.726 1.00 0.00 O ATOM 598 CB ASN A 38 9.799 0.898 -16.330 1.00 0.00 C ATOM 599 CG ASN A 38 10.564 1.739 -15.325 1.00 0.00 C ATOM 600 OD1 ASN A 38 11.549 1.286 -14.742 1.00 0.00 O ATOM 601 ND2 ASN A 38 10.111 2.969 -15.117 1.00 0.00 N ATOM 0 H ASN A 38 10.613 -1.380 -15.640 1.00 0.00 H new ATOM 0 HA ASN A 38 8.397 0.306 -14.817 1.00 0.00 H new ATOM 0 HB2 ASN A 38 10.505 0.403 -16.997 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.180 1.549 -16.948 1.00 0.00 H new ATOM 0 HD21 ASN A 38 10.583 3.581 -14.451 1.00 0.00 H new ATOM 0 HD22 ASN A 38 9.291 3.303 -15.623 1.00 0.00 H new ATOM 608 N GLU A 39 6.601 -0.540 -16.283 1.00 0.00 N ATOM 609 CA GLU A 39 5.507 -0.995 -17.133 1.00 0.00 C ATOM 610 C GLU A 39 4.179 -0.413 -16.660 1.00 0.00 C ATOM 611 O GLU A 39 3.926 -0.320 -15.459 1.00 0.00 O ATOM 612 CB GLU A 39 5.434 -2.524 -17.130 1.00 0.00 C ATOM 613 CG GLU A 39 6.072 -3.171 -18.347 1.00 0.00 C ATOM 614 CD GLU A 39 5.476 -2.679 -19.652 1.00 0.00 C ATOM 615 OE1 GLU A 39 4.382 -3.154 -20.022 1.00 0.00 O ATOM 616 OE2 GLU A 39 6.103 -1.816 -20.303 1.00 0.00 O ATOM 0 H GLU A 39 6.302 -0.126 -15.400 1.00 0.00 H new ATOM 0 HA GLU A 39 5.698 -0.649 -18.149 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.924 -2.900 -16.232 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.389 -2.828 -17.074 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.143 -2.968 -18.342 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.953 -4.253 -18.283 1.00 0.00 H new ATOM 623 N THR A 40 3.333 -0.023 -17.609 1.00 0.00 N ATOM 624 CA THR A 40 2.033 0.550 -17.283 1.00 0.00 C ATOM 625 C THR A 40 1.091 -0.496 -16.679 1.00 0.00 C ATOM 626 O THR A 40 0.486 -0.254 -15.634 1.00 0.00 O ATOM 627 CB THR A 40 1.365 1.186 -18.518 1.00 0.00 C ATOM 628 OG1 THR A 40 2.349 1.847 -19.323 1.00 0.00 O ATOM 629 CG2 THR A 40 0.293 2.182 -18.100 1.00 0.00 C ATOM 0 H THR A 40 3.525 -0.094 -18.608 1.00 0.00 H new ATOM 0 HA THR A 40 2.217 1.329 -16.543 1.00 0.00 H new ATOM 0 HB THR A 40 0.896 0.392 -19.099 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.916 2.247 -20.106 1.00 0.00 H new ATOM 0 HG21 THR A 40 -0.165 2.618 -18.988 1.00 0.00 H new ATOM 0 HG22 THR A 40 -0.470 1.671 -17.513 1.00 0.00 H new ATOM 0 HG23 THR A 40 0.744 2.972 -17.499 1.00 0.00 H new ATOM 637 N PRO A 41 0.946 -1.676 -17.322 1.00 0.00 N ATOM 638 CA PRO A 41 0.069 -2.740 -16.822 1.00 0.00 C ATOM 639 C PRO A 41 0.573 -3.337 -15.512 1.00 0.00 C ATOM 640 O PRO A 41 -0.155 -4.052 -14.823 1.00 0.00 O ATOM 641 CB PRO A 41 0.097 -3.801 -17.932 1.00 0.00 C ATOM 642 CG PRO A 41 0.689 -3.120 -19.119 1.00 0.00 C ATOM 643 CD PRO A 41 1.610 -2.070 -18.574 1.00 0.00 C ATOM 0 HA PRO A 41 -0.931 -2.363 -16.606 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.694 -4.663 -17.636 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.906 -4.168 -18.150 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.231 -3.828 -19.745 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -0.087 -2.674 -19.741 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.611 -2.463 -18.395 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.715 -1.229 -19.259 1.00 0.00 H new ATOM 651 N TYR A 42 1.824 -3.038 -15.174 1.00 0.00 N ATOM 652 CA TYR A 42 2.429 -3.548 -13.949 1.00 0.00 C ATOM 653 C TYR A 42 2.110 -2.642 -12.763 1.00 0.00 C ATOM 654 O TYR A 42 1.697 -3.115 -11.705 1.00 0.00 O ATOM 655 CB TYR A 42 3.944 -3.673 -14.120 1.00 0.00 C ATOM 656 CG TYR A 42 4.378 -4.959 -14.794 1.00 0.00 C ATOM 657 CD1 TYR A 42 3.803 -5.367 -15.991 1.00 0.00 C ATOM 658 CD2 TYR A 42 5.364 -5.761 -14.233 1.00 0.00 C ATOM 659 CE1 TYR A 42 4.198 -6.540 -16.609 1.00 0.00 C ATOM 660 CE2 TYR A 42 5.764 -6.933 -14.845 1.00 0.00 C ATOM 661 CZ TYR A 42 5.178 -7.318 -16.032 1.00 0.00 C ATOM 662 OH TYR A 42 5.573 -8.485 -16.644 1.00 0.00 O ATOM 0 H TYR A 42 2.438 -2.445 -15.732 1.00 0.00 H new ATOM 0 HA TYR A 42 2.010 -4.534 -13.749 1.00 0.00 H new ATOM 0 HB2 TYR A 42 4.306 -2.827 -14.705 1.00 0.00 H new ATOM 0 HB3 TYR A 42 4.418 -3.609 -13.140 1.00 0.00 H new ATOM 0 HD1 TYR A 42 3.035 -4.759 -16.446 1.00 0.00 H new ATOM 0 HD2 TYR A 42 5.825 -5.463 -13.303 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.741 -6.844 -17.539 1.00 0.00 H new ATOM 0 HE2 TYR A 42 6.532 -7.545 -14.396 1.00 0.00 H new ATOM 0 HH TYR A 42 6.273 -8.914 -16.109 1.00 0.00 H new ATOM 672 N PHE A 43 2.305 -1.340 -12.948 1.00 0.00 N ATOM 673 CA PHE A 43 2.036 -0.372 -11.891 1.00 0.00 C ATOM 674 C PHE A 43 0.554 -0.359 -11.535 1.00 0.00 C ATOM 675 O PHE A 43 0.186 -0.212 -10.368 1.00 0.00 O ATOM 676 CB PHE A 43 2.486 1.027 -12.316 1.00 0.00 C ATOM 677 CG PHE A 43 3.913 1.332 -11.959 1.00 0.00 C ATOM 678 CD1 PHE A 43 4.283 1.529 -10.639 1.00 0.00 C ATOM 679 CD2 PHE A 43 4.884 1.421 -12.944 1.00 0.00 C ATOM 680 CE1 PHE A 43 5.595 1.810 -10.307 1.00 0.00 C ATOM 681 CE2 PHE A 43 6.197 1.701 -12.618 1.00 0.00 C ATOM 682 CZ PHE A 43 6.553 1.896 -11.298 1.00 0.00 C ATOM 0 H PHE A 43 2.647 -0.932 -13.818 1.00 0.00 H new ATOM 0 HA PHE A 43 2.602 -0.669 -11.009 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.360 1.129 -13.394 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.837 1.767 -11.848 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.538 1.462 -9.860 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.611 1.270 -13.978 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.871 1.962 -9.274 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.944 1.767 -13.395 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.579 2.115 -11.041 1.00 0.00 H new ATOM 692 N MET A 44 -0.295 -0.508 -12.549 1.00 0.00 N ATOM 693 CA MET A 44 -1.739 -0.522 -12.343 1.00 0.00 C ATOM 694 C MET A 44 -2.125 -1.554 -11.289 1.00 0.00 C ATOM 695 O MET A 44 -3.104 -1.377 -10.561 1.00 0.00 O ATOM 696 CB MET A 44 -2.461 -0.824 -13.657 1.00 0.00 C ATOM 697 CG MET A 44 -3.675 0.056 -13.901 1.00 0.00 C ATOM 698 SD MET A 44 -4.241 0.001 -15.612 1.00 0.00 S ATOM 699 CE MET A 44 -5.548 1.225 -15.577 1.00 0.00 C ATOM 0 H MET A 44 -0.007 -0.621 -13.521 1.00 0.00 H new ATOM 0 HA MET A 44 -2.041 0.464 -11.990 1.00 0.00 H new ATOM 0 HB2 MET A 44 -1.761 -0.700 -14.483 1.00 0.00 H new ATOM 0 HB3 MET A 44 -2.774 -1.868 -13.658 1.00 0.00 H new ATOM 0 HG2 MET A 44 -4.485 -0.260 -13.244 1.00 0.00 H new ATOM 0 HG3 MET A 44 -3.432 1.085 -13.636 1.00 0.00 H new ATOM 0 HE1 MET A 44 -5.997 1.306 -16.567 1.00 0.00 H new ATOM 0 HE2 MET A 44 -6.309 0.924 -14.857 1.00 0.00 H new ATOM 0 HE3 MET A 44 -5.134 2.191 -15.286 1.00 0.00 H new ATOM 709 N LYS A 45 -1.350 -2.631 -11.212 1.00 0.00 N ATOM 710 CA LYS A 45 -1.606 -3.687 -10.242 1.00 0.00 C ATOM 711 C LYS A 45 -1.188 -3.237 -8.847 1.00 0.00 C ATOM 712 O LYS A 45 -1.990 -3.256 -7.914 1.00 0.00 O ATOM 713 CB LYS A 45 -0.850 -4.957 -10.635 1.00 0.00 C ATOM 714 CG LYS A 45 -1.524 -6.237 -10.169 1.00 0.00 C ATOM 715 CD LYS A 45 -1.909 -7.121 -11.345 1.00 0.00 C ATOM 716 CE LYS A 45 -3.036 -8.073 -10.981 1.00 0.00 C ATOM 717 NZ LYS A 45 -2.798 -9.443 -11.513 1.00 0.00 N ATOM 0 H LYS A 45 -0.540 -2.794 -11.810 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.675 -3.902 -10.233 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.745 -4.986 -11.720 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.156 -4.914 -10.218 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.853 -6.783 -9.506 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.414 -5.991 -9.590 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.215 -6.498 -12.185 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.040 -7.692 -11.672 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -3.138 -8.117 -9.897 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.977 -7.689 -11.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.657 -10.016 -11.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.558 -9.386 -12.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.012 -9.885 -10.995 1.00 0.00 H new ATOM 731 N SER A 46 0.078 -2.843 -8.717 1.00 0.00 N ATOM 732 CA SER A 46 0.608 -2.362 -7.442 1.00 0.00 C ATOM 733 C SER A 46 -0.376 -1.409 -6.769 1.00 0.00 C ATOM 734 O SER A 46 -0.673 -1.547 -5.583 1.00 0.00 O ATOM 735 CB SER A 46 1.950 -1.660 -7.658 1.00 0.00 C ATOM 736 OG SER A 46 2.614 -2.167 -8.803 1.00 0.00 O ATOM 0 H SER A 46 0.756 -2.847 -9.479 1.00 0.00 H new ATOM 0 HA SER A 46 0.756 -3.222 -6.789 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.789 -0.588 -7.773 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.580 -1.795 -6.779 1.00 0.00 H new ATOM 0 HG SER A 46 3.468 -1.700 -8.919 1.00 0.00 H new ATOM 742 N ILE A 47 -0.867 -0.433 -7.526 1.00 0.00 N ATOM 743 CA ILE A 47 -1.835 0.519 -6.997 1.00 0.00 C ATOM 744 C ILE A 47 -3.051 -0.213 -6.433 1.00 0.00 C ATOM 745 O ILE A 47 -3.453 0.015 -5.291 1.00 0.00 O ATOM 746 CB ILE A 47 -2.295 1.519 -8.074 1.00 0.00 C ATOM 747 CG1 ILE A 47 -1.087 2.248 -8.665 1.00 0.00 C ATOM 748 CG2 ILE A 47 -3.288 2.514 -7.488 1.00 0.00 C ATOM 749 CD1 ILE A 47 -1.414 3.069 -9.892 1.00 0.00 C ATOM 0 H ILE A 47 -0.612 -0.282 -8.502 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.340 1.074 -6.200 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.794 0.969 -8.872 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.660 2.902 -7.904 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.322 1.516 -8.922 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.603 3.213 -8.263 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.158 1.979 -7.107 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.815 3.063 -6.674 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.509 3.557 -10.255 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.812 2.418 -10.670 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.156 3.825 -9.637 1.00 0.00 H new ATOM 761 N ASP A 48 -3.631 -1.094 -7.246 1.00 0.00 N ATOM 762 CA ASP A 48 -4.791 -1.875 -6.825 1.00 0.00 C ATOM 763 C ASP A 48 -4.410 -2.818 -5.688 1.00 0.00 C ATOM 764 O ASP A 48 -5.270 -3.311 -4.955 1.00 0.00 O ATOM 765 CB ASP A 48 -5.350 -2.675 -8.003 1.00 0.00 C ATOM 766 CG ASP A 48 -6.865 -2.735 -7.994 1.00 0.00 C ATOM 767 OD1 ASP A 48 -7.499 -1.813 -8.549 1.00 0.00 O ATOM 768 OD2 ASP A 48 -7.417 -3.704 -7.432 1.00 0.00 O ATOM 0 H ASP A 48 -3.317 -1.284 -8.198 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.560 -1.188 -6.470 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -5.012 -2.225 -8.937 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.949 -3.688 -7.974 1.00 0.00 H new ATOM 773 N CYS A 49 -3.109 -3.055 -5.549 1.00 0.00 N ATOM 774 CA CYS A 49 -2.598 -3.932 -4.505 1.00 0.00 C ATOM 775 C CYS A 49 -2.571 -3.192 -3.175 1.00 0.00 C ATOM 776 O CYS A 49 -2.931 -3.745 -2.136 1.00 0.00 O ATOM 777 CB CYS A 49 -1.198 -4.439 -4.858 1.00 0.00 C ATOM 778 SG CYS A 49 -1.191 -5.986 -5.795 1.00 0.00 S ATOM 0 H CYS A 49 -2.390 -2.650 -6.148 1.00 0.00 H new ATOM 0 HA CYS A 49 -3.260 -4.794 -4.421 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.681 -3.674 -5.436 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -0.631 -4.581 -3.938 1.00 0.00 H new ATOM 0 HG CYS A 49 0.036 -6.334 -6.049 1.00 0.00 H new ATOM 784 N ILE A 50 -2.134 -1.936 -3.217 1.00 0.00 N ATOM 785 CA ILE A 50 -2.074 -1.105 -2.025 1.00 0.00 C ATOM 786 C ILE A 50 -3.481 -0.787 -1.533 1.00 0.00 C ATOM 787 O ILE A 50 -3.699 -0.567 -0.343 1.00 0.00 O ATOM 788 CB ILE A 50 -1.307 0.209 -2.311 1.00 0.00 C ATOM 789 CG1 ILE A 50 -0.269 0.477 -1.222 1.00 0.00 C ATOM 790 CG2 ILE A 50 -2.260 1.392 -2.439 1.00 0.00 C ATOM 791 CD1 ILE A 50 0.848 1.391 -1.675 1.00 0.00 C ATOM 0 H ILE A 50 -1.816 -1.473 -4.068 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.541 -1.657 -1.251 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.790 0.089 -3.263 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.764 0.920 -0.358 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.157 -0.471 -0.894 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.689 2.299 -2.640 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.955 1.212 -3.259 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.818 1.512 -1.510 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.551 1.541 -0.855 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.367 0.940 -2.520 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.432 2.352 -1.976 1.00 0.00 H new ATOM 803 N ARG A 51 -4.432 -0.767 -2.466 1.00 0.00 N ATOM 804 CA ARG A 51 -5.824 -0.475 -2.138 1.00 0.00 C ATOM 805 C ARG A 51 -6.497 -1.689 -1.508 1.00 0.00 C ATOM 806 O ARG A 51 -7.402 -1.554 -0.682 1.00 0.00 O ATOM 807 CB ARG A 51 -6.585 -0.051 -3.395 1.00 0.00 C ATOM 808 CG ARG A 51 -6.138 1.289 -3.955 1.00 0.00 C ATOM 809 CD ARG A 51 -7.276 2.006 -4.662 1.00 0.00 C ATOM 810 NE ARG A 51 -8.476 2.083 -3.832 1.00 0.00 N ATOM 811 CZ ARG A 51 -9.702 1.836 -4.283 1.00 0.00 C ATOM 812 NH1 ARG A 51 -9.891 1.497 -5.552 1.00 0.00 N ATOM 813 NH2 ARG A 51 -10.742 1.928 -3.465 1.00 0.00 N ATOM 0 H ARG A 51 -4.262 -0.950 -3.455 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.841 0.343 -1.418 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -6.458 -0.816 -4.161 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -7.650 -0.002 -3.166 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.760 1.914 -3.146 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.314 1.136 -4.652 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.957 3.013 -4.932 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.511 1.486 -5.591 1.00 0.00 H new ATOM 0 HE ARG A 51 -8.367 2.341 -2.851 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -9.094 1.425 -6.185 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -10.833 1.308 -5.895 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -10.602 2.188 -2.489 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -11.682 1.738 -3.812 1.00 0.00 H new ATOM 827 N ALA A 52 -6.041 -2.874 -1.899 1.00 0.00 N ATOM 828 CA ALA A 52 -6.594 -4.114 -1.376 1.00 0.00 C ATOM 829 C ALA A 52 -6.015 -4.414 -0.001 1.00 0.00 C ATOM 830 O ALA A 52 -6.708 -4.923 0.883 1.00 0.00 O ATOM 831 CB ALA A 52 -6.314 -5.264 -2.332 1.00 0.00 C ATOM 0 H ALA A 52 -5.289 -3.000 -2.577 1.00 0.00 H new ATOM 0 HA ALA A 52 -7.674 -3.999 -1.280 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.734 -6.185 -1.927 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.770 -5.052 -3.299 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.237 -5.380 -2.456 1.00 0.00 H new ATOM 837 N PHE A 53 -4.740 -4.084 0.174 1.00 0.00 N ATOM 838 CA PHE A 53 -4.061 -4.308 1.443 1.00 0.00 C ATOM 839 C PHE A 53 -4.454 -3.238 2.453 1.00 0.00 C ATOM 840 O PHE A 53 -4.765 -3.545 3.606 1.00 0.00 O ATOM 841 CB PHE A 53 -2.544 -4.313 1.245 1.00 0.00 C ATOM 842 CG PHE A 53 -1.813 -5.191 2.219 1.00 0.00 C ATOM 843 CD1 PHE A 53 -1.937 -4.989 3.586 1.00 0.00 C ATOM 844 CD2 PHE A 53 -1.002 -6.219 1.770 1.00 0.00 C ATOM 845 CE1 PHE A 53 -1.265 -5.796 4.484 1.00 0.00 C ATOM 846 CE2 PHE A 53 -0.327 -7.030 2.663 1.00 0.00 C ATOM 847 CZ PHE A 53 -0.460 -6.818 4.021 1.00 0.00 C ATOM 0 H PHE A 53 -4.157 -3.660 -0.548 1.00 0.00 H new ATOM 0 HA PHE A 53 -4.366 -5.281 1.828 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.320 -4.644 0.231 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.171 -3.293 1.337 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.566 -4.191 3.953 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.895 -6.390 0.709 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.369 -5.628 5.546 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.303 -7.828 2.299 1.00 0.00 H new ATOM 0 HZ PHE A 53 0.065 -7.451 4.721 1.00 0.00 H new ATOM 857 N ARG A 54 -4.421 -1.980 2.019 1.00 0.00 N ATOM 858 CA ARG A 54 -4.791 -0.862 2.883 1.00 0.00 C ATOM 859 C ARG A 54 -6.089 -1.157 3.618 1.00 0.00 C ATOM 860 O ARG A 54 -6.189 -0.945 4.824 1.00 0.00 O ATOM 861 CB ARG A 54 -4.956 0.422 2.066 1.00 0.00 C ATOM 862 CG ARG A 54 -3.742 1.334 2.102 1.00 0.00 C ATOM 863 CD ARG A 54 -4.100 2.750 1.683 1.00 0.00 C ATOM 864 NE ARG A 54 -3.144 3.297 0.724 1.00 0.00 N ATOM 865 CZ ARG A 54 -2.315 4.299 1.001 1.00 0.00 C ATOM 866 NH1 ARG A 54 -2.316 4.853 2.206 1.00 0.00 N ATOM 867 NH2 ARG A 54 -1.481 4.747 0.072 1.00 0.00 N ATOM 0 H ARG A 54 -4.142 -1.710 1.076 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.990 -0.725 3.609 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -5.169 0.157 1.030 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.821 0.970 2.439 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.323 1.346 3.108 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.970 0.941 1.440 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -5.098 2.756 1.244 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.136 3.390 2.564 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.110 2.888 -0.210 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.954 4.511 2.924 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.679 5.621 2.415 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.475 4.323 -0.856 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.845 5.516 0.285 1.00 0.00 H new ATOM 881 N GLU A 55 -7.076 -1.657 2.881 1.00 0.00 N ATOM 882 CA GLU A 55 -8.378 -1.972 3.458 1.00 0.00 C ATOM 883 C GLU A 55 -8.293 -3.154 4.421 1.00 0.00 C ATOM 884 O GLU A 55 -8.850 -3.112 5.520 1.00 0.00 O ATOM 885 CB GLU A 55 -9.387 -2.277 2.350 1.00 0.00 C ATOM 886 CG GLU A 55 -9.862 -1.041 1.604 1.00 0.00 C ATOM 887 CD GLU A 55 -10.810 -1.373 0.468 1.00 0.00 C ATOM 888 OE1 GLU A 55 -10.328 -1.601 -0.661 1.00 0.00 O ATOM 889 OE2 GLU A 55 -12.035 -1.402 0.708 1.00 0.00 O ATOM 0 H GLU A 55 -6.999 -1.853 1.883 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.710 -1.100 4.021 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.936 -2.969 1.639 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -10.249 -2.783 2.784 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.360 -0.369 2.303 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.999 -0.507 1.207 1.00 0.00 H new ATOM 896 N GLU A 56 -7.585 -4.201 4.009 1.00 0.00 N ATOM 897 CA GLU A 56 -7.440 -5.398 4.831 1.00 0.00 C ATOM 898 C GLU A 56 -6.693 -5.098 6.127 1.00 0.00 C ATOM 899 O GLU A 56 -6.909 -5.761 7.145 1.00 0.00 O ATOM 900 CB GLU A 56 -6.703 -6.490 4.054 1.00 0.00 C ATOM 901 CG GLU A 56 -7.564 -7.175 3.006 1.00 0.00 C ATOM 902 CD GLU A 56 -7.954 -8.585 3.404 1.00 0.00 C ATOM 903 OE1 GLU A 56 -7.046 -9.416 3.611 1.00 0.00 O ATOM 904 OE2 GLU A 56 -9.169 -8.857 3.509 1.00 0.00 O ATOM 0 H GLU A 56 -7.103 -4.245 3.111 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.441 -5.746 5.086 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.831 -6.053 3.567 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.335 -7.238 4.756 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.466 -6.586 2.840 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.024 -7.205 2.060 1.00 0.00 H new ATOM 911 N ALA A 57 -5.823 -4.094 6.091 1.00 0.00 N ATOM 912 CA ALA A 57 -5.042 -3.724 7.264 1.00 0.00 C ATOM 913 C ALA A 57 -5.809 -2.753 8.153 1.00 0.00 C ATOM 914 O ALA A 57 -6.008 -3.011 9.343 1.00 0.00 O ATOM 915 CB ALA A 57 -3.712 -3.117 6.841 1.00 0.00 C ATOM 0 H ALA A 57 -5.642 -3.524 5.265 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.851 -4.628 7.842 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -3.138 -2.845 7.727 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.151 -3.844 6.254 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.893 -2.227 6.239 1.00 0.00 H new ATOM 921 N ILE A 58 -6.239 -1.635 7.570 1.00 0.00 N ATOM 922 CA ILE A 58 -6.980 -0.631 8.324 1.00 0.00 C ATOM 923 C ILE A 58 -8.189 -1.258 9.001 1.00 0.00 C ATOM 924 O ILE A 58 -8.498 -0.946 10.152 1.00 0.00 O ATOM 925 CB ILE A 58 -7.440 0.547 7.438 1.00 0.00 C ATOM 926 CG1 ILE A 58 -8.389 0.067 6.337 1.00 0.00 C ATOM 927 CG2 ILE A 58 -6.238 1.255 6.834 1.00 0.00 C ATOM 928 CD1 ILE A 58 -9.749 0.728 6.383 1.00 0.00 C ATOM 0 H ILE A 58 -6.088 -1.405 6.588 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.298 -0.237 9.077 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.982 1.254 8.066 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.933 0.259 5.366 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.515 -1.012 6.422 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -6.578 2.083 6.212 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -5.602 1.638 7.632 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.670 0.552 6.224 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -10.369 0.341 5.575 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -10.225 0.515 7.340 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -9.634 1.806 6.267 1.00 0.00 H new ATOM 940 N LYS A 59 -8.873 -2.137 8.276 1.00 0.00 N ATOM 941 CA LYS A 59 -10.041 -2.820 8.811 1.00 0.00 C ATOM 942 C LYS A 59 -9.728 -3.443 10.164 1.00 0.00 C ATOM 943 O LYS A 59 -10.398 -3.150 11.155 1.00 0.00 O ATOM 944 CB LYS A 59 -10.522 -3.901 7.843 1.00 0.00 C ATOM 945 CG LYS A 59 -11.629 -3.436 6.909 1.00 0.00 C ATOM 946 CD LYS A 59 -12.268 -4.606 6.178 1.00 0.00 C ATOM 947 CE LYS A 59 -13.389 -4.146 5.262 1.00 0.00 C ATOM 948 NZ LYS A 59 -13.783 -5.206 4.292 1.00 0.00 N ATOM 0 H LYS A 59 -8.637 -2.392 7.317 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.833 -2.082 8.939 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -9.677 -4.245 7.247 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.878 -4.757 8.416 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.389 -2.904 7.481 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.223 -2.731 6.184 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.511 -5.128 5.594 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -12.659 -5.319 6.903 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -14.254 -3.862 5.861 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.072 -3.256 4.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.550 -4.853 3.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.964 -5.459 3.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.110 -6.046 4.810 1.00 0.00 H new ATOM 962 N PHE A 60 -8.702 -4.296 10.209 1.00 0.00 N ATOM 963 CA PHE A 60 -8.322 -4.958 11.457 1.00 0.00 C ATOM 964 C PHE A 60 -7.120 -5.876 11.258 1.00 0.00 C ATOM 965 O PHE A 60 -7.266 -7.093 11.154 1.00 0.00 O ATOM 966 CB PHE A 60 -9.497 -5.766 12.030 1.00 0.00 C ATOM 967 CG PHE A 60 -10.450 -6.302 10.993 1.00 0.00 C ATOM 968 CD1 PHE A 60 -10.007 -7.147 9.986 1.00 0.00 C ATOM 969 CD2 PHE A 60 -11.793 -5.960 11.030 1.00 0.00 C ATOM 970 CE1 PHE A 60 -10.884 -7.637 9.038 1.00 0.00 C ATOM 971 CE2 PHE A 60 -12.673 -6.447 10.085 1.00 0.00 C ATOM 972 CZ PHE A 60 -12.219 -7.287 9.087 1.00 0.00 C ATOM 0 H PHE A 60 -8.125 -4.542 9.404 1.00 0.00 H new ATOM 0 HA PHE A 60 -8.048 -4.176 12.165 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -9.100 -6.601 12.607 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -10.052 -5.134 12.724 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -8.964 -7.425 9.943 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -12.155 -5.304 11.808 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -10.526 -8.294 8.259 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -13.716 -6.171 10.126 1.00 0.00 H new ATOM 0 HZ PHE A 60 -12.906 -7.669 8.347 1.00 0.00 H new ATOM 982 N SER A 61 -5.929 -5.290 11.215 1.00 0.00 N ATOM 983 CA SER A 61 -4.713 -6.071 11.036 1.00 0.00 C ATOM 984 C SER A 61 -3.485 -5.302 11.508 1.00 0.00 C ATOM 985 O SER A 61 -3.204 -5.244 12.705 1.00 0.00 O ATOM 986 CB SER A 61 -4.557 -6.491 9.573 1.00 0.00 C ATOM 987 OG SER A 61 -4.854 -7.867 9.403 1.00 0.00 O ATOM 0 H SER A 61 -5.781 -4.285 11.301 1.00 0.00 H new ATOM 0 HA SER A 61 -4.798 -6.968 11.649 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.219 -5.893 8.947 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.538 -6.292 9.241 1.00 0.00 H new ATOM 0 HG SER A 61 -4.472 -8.182 8.557 1.00 0.00 H new ATOM 993 N GLU A 62 -2.755 -4.714 10.568 1.00 0.00 N ATOM 994 CA GLU A 62 -1.551 -3.963 10.906 1.00 0.00 C ATOM 995 C GLU A 62 -1.530 -2.613 10.200 1.00 0.00 C ATOM 996 O GLU A 62 -0.658 -2.343 9.375 1.00 0.00 O ATOM 997 CB GLU A 62 -0.305 -4.770 10.538 1.00 0.00 C ATOM 998 CG GLU A 62 -0.262 -6.148 11.178 1.00 0.00 C ATOM 999 CD GLU A 62 0.236 -6.111 12.609 1.00 0.00 C ATOM 1000 OE1 GLU A 62 -0.587 -5.876 13.519 1.00 0.00 O ATOM 1001 OE2 GLU A 62 1.449 -6.317 12.821 1.00 0.00 O ATOM 0 H GLU A 62 -2.973 -4.742 9.572 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.555 -3.783 11.981 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.261 -4.880 9.454 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.581 -4.211 10.838 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.260 -6.586 11.156 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.385 -6.798 10.589 1.00 0.00 H new ATOM 1008 N GLU A 63 -2.502 -1.773 10.529 1.00 0.00 N ATOM 1009 CA GLU A 63 -2.602 -0.440 9.936 1.00 0.00 C ATOM 1010 C GLU A 63 -1.301 0.348 10.103 1.00 0.00 C ATOM 1011 O GLU A 63 -0.918 1.121 9.225 1.00 0.00 O ATOM 1012 CB GLU A 63 -3.762 0.333 10.565 1.00 0.00 C ATOM 1013 CG GLU A 63 -3.771 0.290 12.084 1.00 0.00 C ATOM 1014 CD GLU A 63 -4.640 -0.826 12.631 1.00 0.00 C ATOM 1015 OE1 GLU A 63 -5.877 -0.738 12.488 1.00 0.00 O ATOM 1016 OE2 GLU A 63 -4.082 -1.788 13.199 1.00 0.00 O ATOM 0 H GLU A 63 -3.235 -1.989 11.204 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.786 -0.565 8.869 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.713 1.372 10.240 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.702 -0.074 10.193 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.751 0.162 12.446 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.128 1.245 12.469 1.00 0.00 H new ATOM 1023 N GLN A 64 -0.624 0.145 11.231 1.00 0.00 N ATOM 1024 CA GLN A 64 0.630 0.845 11.512 1.00 0.00 C ATOM 1025 C GLN A 64 1.776 0.281 10.678 1.00 0.00 C ATOM 1026 O GLN A 64 2.781 0.957 10.448 1.00 0.00 O ATOM 1027 CB GLN A 64 0.972 0.743 12.999 1.00 0.00 C ATOM 1028 CG GLN A 64 0.219 1.735 13.870 1.00 0.00 C ATOM 1029 CD GLN A 64 0.679 1.707 15.315 1.00 0.00 C ATOM 1030 OE1 GLN A 64 1.618 2.406 15.693 1.00 0.00 O ATOM 1031 NE2 GLN A 64 0.018 0.893 16.130 1.00 0.00 N ATOM 0 H GLN A 64 -0.921 -0.497 11.965 1.00 0.00 H new ATOM 0 HA GLN A 64 0.495 1.893 11.244 1.00 0.00 H new ATOM 0 HB2 GLN A 64 0.754 -0.268 13.344 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.043 0.900 13.128 1.00 0.00 H new ATOM 0 HG2 GLN A 64 0.353 2.740 13.469 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -0.848 1.514 13.827 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -0.755 0.331 15.773 1.00 0.00 H new ATOM 0 HE22 GLN A 64 0.283 0.830 17.113 1.00 0.00 H new ATOM 1040 N ARG A 65 1.626 -0.959 10.229 1.00 0.00 N ATOM 1041 CA ARG A 65 2.652 -1.598 9.415 1.00 0.00 C ATOM 1042 C ARG A 65 2.671 -0.979 8.023 1.00 0.00 C ATOM 1043 O ARG A 65 3.662 -1.077 7.295 1.00 0.00 O ATOM 1044 CB ARG A 65 2.398 -3.105 9.322 1.00 0.00 C ATOM 1045 CG ARG A 65 3.306 -3.819 8.335 1.00 0.00 C ATOM 1046 CD ARG A 65 3.006 -5.309 8.279 1.00 0.00 C ATOM 1047 NE ARG A 65 4.095 -6.106 8.838 1.00 0.00 N ATOM 1048 CZ ARG A 65 4.861 -6.918 8.117 1.00 0.00 C ATOM 1049 NH1 ARG A 65 4.659 -7.043 6.812 1.00 0.00 N ATOM 1050 NH2 ARG A 65 5.831 -7.609 8.701 1.00 0.00 N ATOM 0 H ARG A 65 0.808 -1.540 10.414 1.00 0.00 H new ATOM 0 HA ARG A 65 3.622 -1.440 9.886 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.530 -3.548 10.309 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.360 -3.272 9.034 1.00 0.00 H new ATOM 0 HG2 ARG A 65 3.181 -3.384 7.343 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.347 -3.667 8.621 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.087 -5.515 8.828 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.833 -5.606 7.245 1.00 0.00 H new ATOM 0 HE ARG A 65 4.278 -6.035 9.839 1.00 0.00 H new ATOM 0 HH11 ARG A 65 3.914 -6.515 6.358 1.00 0.00 H new ATOM 0 HH12 ARG A 65 5.249 -7.667 6.262 1.00 0.00 H new ATOM 0 HH21 ARG A 65 5.990 -7.517 9.704 1.00 0.00 H new ATOM 0 HH22 ARG A 65 6.418 -8.232 8.147 1.00 0.00 H new ATOM 1064 N PHE A 66 1.569 -0.323 7.672 1.00 0.00 N ATOM 1065 CA PHE A 66 1.444 0.318 6.372 1.00 0.00 C ATOM 1066 C PHE A 66 1.981 1.740 6.425 1.00 0.00 C ATOM 1067 O PHE A 66 2.695 2.171 5.521 1.00 0.00 O ATOM 1068 CB PHE A 66 -0.007 0.310 5.894 1.00 0.00 C ATOM 1069 CG PHE A 66 -0.171 -0.320 4.540 1.00 0.00 C ATOM 1070 CD1 PHE A 66 0.137 -1.657 4.343 1.00 0.00 C ATOM 1071 CD2 PHE A 66 -0.621 0.425 3.463 1.00 0.00 C ATOM 1072 CE1 PHE A 66 -0.003 -2.239 3.098 1.00 0.00 C ATOM 1073 CE2 PHE A 66 -0.760 -0.151 2.215 1.00 0.00 C ATOM 1074 CZ PHE A 66 -0.451 -1.485 2.032 1.00 0.00 C ATOM 0 H PHE A 66 0.750 -0.223 8.272 1.00 0.00 H new ATOM 0 HA PHE A 66 2.038 -0.251 5.656 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.620 -0.229 6.617 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.379 1.334 5.861 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.491 -2.251 5.173 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.866 1.468 3.600 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.238 -3.283 2.959 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.110 0.441 1.383 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.560 -1.937 1.057 1.00 0.00 H new ATOM 1084 N ASN A 67 1.644 2.466 7.493 1.00 0.00 N ATOM 1085 CA ASN A 67 2.124 3.834 7.649 1.00 0.00 C ATOM 1086 C ASN A 67 3.606 3.797 7.984 1.00 0.00 C ATOM 1087 O ASN A 67 4.337 4.768 7.779 1.00 0.00 O ATOM 1088 CB ASN A 67 1.344 4.596 8.730 1.00 0.00 C ATOM 1089 CG ASN A 67 0.956 3.750 9.914 1.00 0.00 C ATOM 1090 OD1 ASN A 67 1.814 3.304 10.674 1.00 0.00 O ATOM 1091 ND2 ASN A 67 -0.346 3.547 10.091 1.00 0.00 N ATOM 0 H ASN A 67 1.049 2.133 8.251 1.00 0.00 H new ATOM 0 HA ASN A 67 1.966 4.368 6.712 1.00 0.00 H new ATOM 0 HB2 ASN A 67 1.948 5.434 9.077 1.00 0.00 H new ATOM 0 HB3 ASN A 67 0.442 5.016 8.285 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -0.673 2.999 10.887 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -1.018 3.939 9.431 1.00 0.00 H new ATOM 1098 N ASN A 68 4.032 2.649 8.499 1.00 0.00 N ATOM 1099 CA ASN A 68 5.432 2.441 8.836 1.00 0.00 C ATOM 1100 C ASN A 68 6.248 2.424 7.552 1.00 0.00 C ATOM 1101 O ASN A 68 7.172 3.221 7.371 1.00 0.00 O ATOM 1102 CB ASN A 68 5.618 1.128 9.599 1.00 0.00 C ATOM 1103 CG ASN A 68 7.066 0.876 9.972 1.00 0.00 C ATOM 1104 OD1 ASN A 68 7.581 1.451 10.932 1.00 0.00 O ATOM 1105 ND2 ASN A 68 7.732 0.013 9.214 1.00 0.00 N ATOM 0 H ASN A 68 3.428 1.850 8.691 1.00 0.00 H new ATOM 0 HA ASN A 68 5.772 3.252 9.480 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.011 1.148 10.504 1.00 0.00 H new ATOM 0 HB3 ASN A 68 5.254 0.302 8.989 1.00 0.00 H new ATOM 0 HD21 ASN A 68 8.709 -0.196 9.418 1.00 0.00 H new ATOM 0 HD22 ASN A 68 7.266 -0.441 8.428 1.00 0.00 H new ATOM 1112 N PHE A 69 5.894 1.503 6.660 1.00 0.00 N ATOM 1113 CA PHE A 69 6.564 1.391 5.369 1.00 0.00 C ATOM 1114 C PHE A 69 6.261 2.605 4.495 1.00 0.00 C ATOM 1115 O PHE A 69 7.064 2.988 3.646 1.00 0.00 O ATOM 1116 CB PHE A 69 6.129 0.111 4.654 1.00 0.00 C ATOM 1117 CG PHE A 69 7.178 -0.450 3.737 1.00 0.00 C ATOM 1118 CD1 PHE A 69 8.170 -1.283 4.227 1.00 0.00 C ATOM 1119 CD2 PHE A 69 7.171 -0.144 2.386 1.00 0.00 C ATOM 1120 CE1 PHE A 69 9.137 -1.802 3.387 1.00 0.00 C ATOM 1121 CE2 PHE A 69 8.135 -0.660 1.540 1.00 0.00 C ATOM 1122 CZ PHE A 69 9.119 -1.489 2.041 1.00 0.00 C ATOM 0 H PHE A 69 5.147 0.824 6.808 1.00 0.00 H new ATOM 0 HA PHE A 69 7.639 1.351 5.546 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.869 -0.641 5.399 1.00 0.00 H new ATOM 0 HB3 PHE A 69 5.226 0.315 4.078 1.00 0.00 H new ATOM 0 HD1 PHE A 69 8.188 -1.530 5.278 1.00 0.00 H new ATOM 0 HD2 PHE A 69 6.404 0.505 1.989 1.00 0.00 H new ATOM 0 HE1 PHE A 69 9.905 -2.451 3.782 1.00 0.00 H new ATOM 0 HE2 PHE A 69 8.118 -0.415 0.488 1.00 0.00 H new ATOM 0 HZ PHE A 69 9.874 -1.892 1.382 1.00 0.00 H new ATOM 1132 N LEU A 70 5.089 3.199 4.709 1.00 0.00 N ATOM 1133 CA LEU A 70 4.675 4.373 3.946 1.00 0.00 C ATOM 1134 C LEU A 70 5.605 5.547 4.227 1.00 0.00 C ATOM 1135 O LEU A 70 6.053 6.230 3.307 1.00 0.00 O ATOM 1136 CB LEU A 70 3.232 4.763 4.276 1.00 0.00 C ATOM 1137 CG LEU A 70 2.209 4.446 3.182 1.00 0.00 C ATOM 1138 CD1 LEU A 70 0.801 4.771 3.656 1.00 0.00 C ATOM 1139 CD2 LEU A 70 2.531 5.216 1.908 1.00 0.00 C ATOM 0 H LEU A 70 4.410 2.887 5.404 1.00 0.00 H new ATOM 0 HA LEU A 70 4.731 4.119 2.887 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.933 4.251 5.191 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.199 5.832 4.484 1.00 0.00 H new ATOM 0 HG LEU A 70 2.262 3.379 2.963 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.088 4.539 2.865 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.568 4.177 4.540 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.736 5.830 3.904 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.793 4.977 1.142 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.507 6.286 2.114 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.524 4.936 1.555 1.00 0.00 H new ATOM 1151 N LYS A 71 5.882 5.783 5.506 1.00 0.00 N ATOM 1152 CA LYS A 71 6.769 6.867 5.905 1.00 0.00 C ATOM 1153 C LYS A 71 8.126 6.721 5.227 1.00 0.00 C ATOM 1154 O LYS A 71 8.743 7.710 4.826 1.00 0.00 O ATOM 1155 CB LYS A 71 6.942 6.882 7.425 1.00 0.00 C ATOM 1156 CG LYS A 71 6.024 7.864 8.133 1.00 0.00 C ATOM 1157 CD LYS A 71 6.432 8.061 9.584 1.00 0.00 C ATOM 1158 CE LYS A 71 5.277 8.588 10.421 1.00 0.00 C ATOM 1159 NZ LYS A 71 5.576 8.533 11.878 1.00 0.00 N ATOM 0 H LYS A 71 5.505 5.238 6.282 1.00 0.00 H new ATOM 0 HA LYS A 71 6.321 7.810 5.593 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.757 5.880 7.813 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.977 7.130 7.662 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.046 8.823 7.615 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.997 7.501 8.089 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.780 7.114 9.997 1.00 0.00 H new ATOM 0 HD3 LYS A 71 7.268 8.758 9.636 1.00 0.00 H new ATOM 0 HE2 LYS A 71 5.060 9.617 10.134 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.381 8.003 10.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.764 8.901 12.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.758 7.548 12.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.416 9.111 12.082 1.00 0.00 H new ATOM 1173 N ALA A 72 8.583 5.479 5.101 1.00 0.00 N ATOM 1174 CA ALA A 72 9.866 5.201 4.466 1.00 0.00 C ATOM 1175 C ALA A 72 9.762 5.343 2.951 1.00 0.00 C ATOM 1176 O ALA A 72 10.635 5.928 2.304 1.00 0.00 O ATOM 1177 CB ALA A 72 10.348 3.806 4.836 1.00 0.00 C ATOM 0 H ALA A 72 8.085 4.651 5.429 1.00 0.00 H new ATOM 0 HA ALA A 72 10.592 5.929 4.828 1.00 0.00 H new ATOM 0 HB1 ALA A 72 11.307 3.613 4.355 1.00 0.00 H new ATOM 0 HB2 ALA A 72 10.464 3.736 5.918 1.00 0.00 H new ATOM 0 HB3 ALA A 72 9.619 3.068 4.501 1.00 0.00 H new ATOM 1183 N LEU A 73 8.682 4.805 2.393 1.00 0.00 N ATOM 1184 CA LEU A 73 8.445 4.865 0.958 1.00 0.00 C ATOM 1185 C LEU A 73 8.367 6.313 0.488 1.00 0.00 C ATOM 1186 O LEU A 73 8.897 6.660 -0.563 1.00 0.00 O ATOM 1187 CB LEU A 73 7.153 4.126 0.603 1.00 0.00 C ATOM 1188 CG LEU A 73 6.653 4.332 -0.829 1.00 0.00 C ATOM 1189 CD1 LEU A 73 7.533 3.579 -1.816 1.00 0.00 C ATOM 1190 CD2 LEU A 73 5.205 3.885 -0.956 1.00 0.00 C ATOM 0 H LEU A 73 7.954 4.320 2.918 1.00 0.00 H new ATOM 0 HA LEU A 73 9.279 4.380 0.451 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.308 3.059 0.766 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.371 4.444 1.292 1.00 0.00 H new ATOM 0 HG LEU A 73 6.707 5.395 -1.063 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.162 3.737 -2.829 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.557 3.945 -1.743 1.00 0.00 H new ATOM 0 HD13 LEU A 73 7.511 2.514 -1.584 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.865 4.038 -1.980 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.127 2.828 -0.702 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.583 4.468 -0.277 1.00 0.00 H new ATOM 1202 N GLN A 74 7.696 7.146 1.277 1.00 0.00 N ATOM 1203 CA GLN A 74 7.544 8.561 0.954 1.00 0.00 C ATOM 1204 C GLN A 74 8.903 9.245 0.859 1.00 0.00 C ATOM 1205 O GLN A 74 9.205 9.919 -0.129 1.00 0.00 O ATOM 1206 CB GLN A 74 6.682 9.256 2.009 1.00 0.00 C ATOM 1207 CG GLN A 74 6.013 10.525 1.508 1.00 0.00 C ATOM 1208 CD GLN A 74 6.632 11.781 2.090 1.00 0.00 C ATOM 1209 OE1 GLN A 74 6.986 12.707 1.362 1.00 0.00 O ATOM 1210 NE2 GLN A 74 6.765 11.817 3.410 1.00 0.00 N ATOM 0 H GLN A 74 7.247 6.864 2.148 1.00 0.00 H new ATOM 0 HA GLN A 74 7.051 8.637 -0.015 1.00 0.00 H new ATOM 0 HB2 GLN A 74 5.915 8.563 2.354 1.00 0.00 H new ATOM 0 HB3 GLN A 74 7.303 9.499 2.871 1.00 0.00 H new ATOM 0 HG2 GLN A 74 6.081 10.562 0.421 1.00 0.00 H new ATOM 0 HG3 GLN A 74 4.953 10.496 1.761 1.00 0.00 H new ATOM 0 HE21 GLN A 74 6.457 11.026 3.975 1.00 0.00 H new ATOM 0 HE22 GLN A 74 7.175 12.636 3.859 1.00 0.00 H new ATOM 1219 N GLU A 75 9.715 9.078 1.897 1.00 0.00 N ATOM 1220 CA GLU A 75 11.045 9.679 1.930 1.00 0.00 C ATOM 1221 C GLU A 75 11.895 9.197 0.758 1.00 0.00 C ATOM 1222 O GLU A 75 12.791 9.907 0.296 1.00 0.00 O ATOM 1223 CB GLU A 75 11.744 9.348 3.249 1.00 0.00 C ATOM 1224 CG GLU A 75 11.579 10.421 4.313 1.00 0.00 C ATOM 1225 CD GLU A 75 12.308 10.085 5.599 1.00 0.00 C ATOM 1226 OE1 GLU A 75 11.792 9.251 6.373 1.00 0.00 O ATOM 1227 OE2 GLU A 75 13.393 10.656 5.834 1.00 0.00 O ATOM 0 H GLU A 75 9.477 8.533 2.726 1.00 0.00 H new ATOM 0 HA GLU A 75 10.927 10.759 1.848 1.00 0.00 H new ATOM 0 HB2 GLU A 75 11.352 8.406 3.632 1.00 0.00 H new ATOM 0 HB3 GLU A 75 12.807 9.197 3.059 1.00 0.00 H new ATOM 0 HG2 GLU A 75 11.950 11.370 3.927 1.00 0.00 H new ATOM 0 HG3 GLU A 75 10.519 10.556 4.526 1.00 0.00 H new ATOM 1234 N LYS A 76 11.598 7.995 0.271 1.00 0.00 N ATOM 1235 CA LYS A 76 12.343 7.412 -0.839 1.00 0.00 C ATOM 1236 C LYS A 76 11.845 7.965 -2.166 1.00 0.00 C ATOM 1237 O LYS A 76 12.622 8.497 -2.965 1.00 0.00 O ATOM 1238 CB LYS A 76 12.210 5.888 -0.822 1.00 0.00 C ATOM 1239 CG LYS A 76 13.368 5.183 -0.137 1.00 0.00 C ATOM 1240 CD LYS A 76 13.233 3.673 -0.226 1.00 0.00 C ATOM 1241 CE LYS A 76 14.086 2.974 0.820 1.00 0.00 C ATOM 1242 NZ LYS A 76 13.337 2.743 2.086 1.00 0.00 N ATOM 0 H LYS A 76 10.846 7.406 0.629 1.00 0.00 H new ATOM 0 HA LYS A 76 13.394 7.677 -0.725 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.282 5.618 -0.318 1.00 0.00 H new ATOM 0 HB3 LYS A 76 12.132 5.527 -1.848 1.00 0.00 H new ATOM 0 HG2 LYS A 76 14.307 5.493 -0.596 1.00 0.00 H new ATOM 0 HG3 LYS A 76 13.411 5.484 0.910 1.00 0.00 H new ATOM 0 HD2 LYS A 76 12.188 3.392 -0.092 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.528 3.338 -1.220 1.00 0.00 H new ATOM 0 HE2 LYS A 76 14.434 2.019 0.425 1.00 0.00 H new ATOM 0 HE3 LYS A 76 14.971 3.575 1.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 13.955 2.264 2.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 13.026 3.655 2.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 12.506 2.148 1.894 1.00 0.00 H new ATOM 1256 N VAL A 77 10.541 7.839 -2.391 1.00 0.00 N ATOM 1257 CA VAL A 77 9.932 8.331 -3.614 1.00 0.00 C ATOM 1258 C VAL A 77 10.157 9.828 -3.738 1.00 0.00 C ATOM 1259 O VAL A 77 10.246 10.369 -4.841 1.00 0.00 O ATOM 1260 CB VAL A 77 8.420 8.035 -3.661 1.00 0.00 C ATOM 1261 CG1 VAL A 77 7.726 8.565 -2.420 1.00 0.00 C ATOM 1262 CG2 VAL A 77 7.801 8.632 -4.909 1.00 0.00 C ATOM 0 H VAL A 77 9.889 7.400 -1.741 1.00 0.00 H new ATOM 0 HA VAL A 77 10.404 7.812 -4.448 1.00 0.00 H new ATOM 0 HB VAL A 77 8.287 6.954 -3.690 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.660 8.344 -2.477 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.149 8.089 -1.535 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.870 9.644 -2.355 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.733 8.413 -4.926 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.950 9.712 -4.908 1.00 0.00 H new ATOM 0 HG23 VAL A 77 8.274 8.201 -5.792 1.00 0.00 H new ATOM 1272 N GLU A 78 10.248 10.491 -2.589 1.00 0.00 N ATOM 1273 CA GLU A 78 10.483 11.925 -2.556 1.00 0.00 C ATOM 1274 C GLU A 78 11.726 12.252 -3.362 1.00 0.00 C ATOM 1275 O GLU A 78 11.700 13.111 -4.245 1.00 0.00 O ATOM 1276 CB GLU A 78 10.647 12.411 -1.115 1.00 0.00 C ATOM 1277 CG GLU A 78 9.456 13.205 -0.603 1.00 0.00 C ATOM 1278 CD GLU A 78 9.814 14.109 0.560 1.00 0.00 C ATOM 1279 OE1 GLU A 78 10.016 13.588 1.677 1.00 0.00 O ATOM 1280 OE2 GLU A 78 9.894 15.338 0.354 1.00 0.00 O ATOM 0 H GLU A 78 10.162 10.056 -1.671 1.00 0.00 H new ATOM 0 HA GLU A 78 9.624 12.434 -2.992 1.00 0.00 H new ATOM 0 HB2 GLU A 78 10.806 11.550 -0.466 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.542 13.030 -1.048 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.050 13.808 -1.415 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.670 12.516 -0.294 1.00 0.00 H new ATOM 1287 N ILE A 79 12.817 11.560 -3.052 1.00 0.00 N ATOM 1288 CA ILE A 79 14.071 11.770 -3.771 1.00 0.00 C ATOM 1289 C ILE A 79 13.912 11.420 -5.251 1.00 0.00 C ATOM 1290 O ILE A 79 13.597 12.284 -6.069 1.00 0.00 O ATOM 1291 CB ILE A 79 15.222 10.940 -3.168 1.00 0.00 C ATOM 1292 CG1 ILE A 79 15.418 11.297 -1.695 1.00 0.00 C ATOM 1293 CG2 ILE A 79 16.510 11.169 -3.946 1.00 0.00 C ATOM 1294 CD1 ILE A 79 15.462 10.092 -0.786 1.00 0.00 C ATOM 0 H ILE A 79 12.860 10.856 -2.316 1.00 0.00 H new ATOM 0 HA ILE A 79 14.321 12.826 -3.673 1.00 0.00 H new ATOM 0 HB ILE A 79 14.961 9.884 -3.239 1.00 0.00 H new ATOM 0 HG12 ILE A 79 16.345 11.859 -1.586 1.00 0.00 H new ATOM 0 HG13 ILE A 79 14.608 11.953 -1.377 1.00 0.00 H new ATOM 0 HG21 ILE A 79 17.311 10.575 -3.506 1.00 0.00 H new ATOM 0 HG22 ILE A 79 16.366 10.871 -4.984 1.00 0.00 H new ATOM 0 HG23 ILE A 79 16.777 12.225 -3.905 1.00 0.00 H new ATOM 0 HD11 ILE A 79 15.603 10.418 0.244 1.00 0.00 H new ATOM 0 HD12 ILE A 79 14.525 9.541 -0.867 1.00 0.00 H new ATOM 0 HD13 ILE A 79 16.290 9.446 -1.078 1.00 0.00 H new ATOM 1306 N LYS A 80 14.134 10.152 -5.590 1.00 0.00 N ATOM 1307 CA LYS A 80 14.009 9.699 -6.972 1.00 0.00 C ATOM 1308 C LYS A 80 13.838 8.185 -7.042 1.00 0.00 C ATOM 1309 O LYS A 80 14.762 7.432 -6.733 1.00 0.00 O ATOM 1310 CB LYS A 80 15.238 10.123 -7.779 1.00 0.00 C ATOM 1311 CG LYS A 80 15.128 9.816 -9.264 1.00 0.00 C ATOM 1312 CD LYS A 80 15.748 10.918 -10.107 1.00 0.00 C ATOM 1313 CE LYS A 80 14.894 11.236 -11.324 1.00 0.00 C ATOM 1314 NZ LYS A 80 15.682 11.898 -12.400 1.00 0.00 N ATOM 0 H LYS A 80 14.400 9.423 -4.929 1.00 0.00 H new ATOM 0 HA LYS A 80 13.120 10.163 -7.399 1.00 0.00 H new ATOM 0 HB2 LYS A 80 15.396 11.194 -7.649 1.00 0.00 H new ATOM 0 HB3 LYS A 80 16.117 9.620 -7.377 1.00 0.00 H new ATOM 0 HG2 LYS A 80 15.624 8.869 -9.479 1.00 0.00 H new ATOM 0 HG3 LYS A 80 14.079 9.695 -9.535 1.00 0.00 H new ATOM 0 HD2 LYS A 80 15.869 11.816 -9.501 1.00 0.00 H new ATOM 0 HD3 LYS A 80 16.744 10.614 -10.429 1.00 0.00 H new ATOM 0 HE2 LYS A 80 14.455 10.316 -11.710 1.00 0.00 H new ATOM 0 HE3 LYS A 80 14.068 11.883 -11.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 15.063 12.098 -13.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 16.080 12.789 -12.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 16.455 11.270 -12.701 1.00 0.00 H new ATOM 1328 N GLN A 81 12.651 7.746 -7.456 1.00 0.00 N ATOM 1329 CA GLN A 81 12.357 6.321 -7.572 1.00 0.00 C ATOM 1330 C GLN A 81 11.017 6.091 -8.265 1.00 0.00 C ATOM 1331 O GLN A 81 10.966 5.575 -9.382 1.00 0.00 O ATOM 1332 CB GLN A 81 12.351 5.662 -6.191 1.00 0.00 C ATOM 1333 CG GLN A 81 13.503 4.697 -5.977 1.00 0.00 C ATOM 1334 CD GLN A 81 13.623 4.239 -4.538 1.00 0.00 C ATOM 1335 OE1 GLN A 81 13.411 5.016 -3.607 1.00 0.00 O ATOM 1336 NE2 GLN A 81 13.964 2.969 -4.346 1.00 0.00 N ATOM 0 H GLN A 81 11.878 8.358 -7.717 1.00 0.00 H new ATOM 0 HA GLN A 81 13.140 5.867 -8.179 1.00 0.00 H new ATOM 0 HB2 GLN A 81 12.390 6.438 -5.426 1.00 0.00 H new ATOM 0 HB3 GLN A 81 11.410 5.128 -6.056 1.00 0.00 H new ATOM 0 HG2 GLN A 81 13.368 3.828 -6.620 1.00 0.00 H new ATOM 0 HG3 GLN A 81 14.434 5.176 -6.280 1.00 0.00 H new ATOM 0 HE21 GLN A 81 14.131 2.359 -5.146 1.00 0.00 H new ATOM 0 HE22 GLN A 81 14.059 2.604 -3.398 1.00 0.00 H new ATOM 1345 N LEU A 82 9.934 6.477 -7.596 1.00 0.00 N ATOM 1346 CA LEU A 82 8.592 6.311 -8.146 1.00 0.00 C ATOM 1347 C LEU A 82 7.780 7.594 -7.997 1.00 0.00 C ATOM 1348 O LEU A 82 6.696 7.591 -7.415 1.00 0.00 O ATOM 1349 CB LEU A 82 7.876 5.153 -7.448 1.00 0.00 C ATOM 1350 CG LEU A 82 8.152 5.028 -5.949 1.00 0.00 C ATOM 1351 CD1 LEU A 82 6.851 4.869 -5.176 1.00 0.00 C ATOM 1352 CD2 LEU A 82 9.082 3.856 -5.677 1.00 0.00 C ATOM 0 H LEU A 82 9.960 6.907 -6.672 1.00 0.00 H new ATOM 0 HA LEU A 82 8.684 6.085 -9.208 1.00 0.00 H new ATOM 0 HB2 LEU A 82 6.802 5.269 -7.595 1.00 0.00 H new ATOM 0 HB3 LEU A 82 8.166 4.221 -7.934 1.00 0.00 H new ATOM 0 HG LEU A 82 8.640 5.942 -5.611 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.069 4.782 -4.112 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.218 5.740 -5.347 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.333 3.972 -5.515 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.269 3.781 -4.606 1.00 0.00 H new ATOM 0 HD22 LEU A 82 8.619 2.935 -6.030 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.026 4.012 -6.200 1.00 0.00 H new ATOM 1364 N ASN A 83 8.309 8.686 -8.539 1.00 0.00 N ATOM 1365 CA ASN A 83 7.646 9.984 -8.460 1.00 0.00 C ATOM 1366 C ASN A 83 6.245 9.929 -9.066 1.00 0.00 C ATOM 1367 O ASN A 83 5.354 10.675 -8.661 1.00 0.00 O ATOM 1368 CB ASN A 83 8.480 11.048 -9.174 1.00 0.00 C ATOM 1369 CG ASN A 83 7.975 12.453 -8.912 1.00 0.00 C ATOM 1370 OD1 ASN A 83 7.907 12.897 -7.766 1.00 0.00 O ATOM 1371 ND2 ASN A 83 7.617 13.161 -9.977 1.00 0.00 N ATOM 0 H ASN A 83 9.198 8.698 -9.039 1.00 0.00 H new ATOM 0 HA ASN A 83 7.551 10.247 -7.407 1.00 0.00 H new ATOM 0 HB2 ASN A 83 9.517 10.971 -8.848 1.00 0.00 H new ATOM 0 HB3 ASN A 83 8.468 10.855 -10.247 1.00 0.00 H new ATOM 0 HD21 ASN A 83 7.269 14.113 -9.863 1.00 0.00 H new ATOM 0 HD22 ASN A 83 7.690 12.753 -10.909 1.00 0.00 H new ATOM 1378 N HIS A 84 6.058 9.042 -10.037 1.00 0.00 N ATOM 1379 CA HIS A 84 4.765 8.895 -10.699 1.00 0.00 C ATOM 1380 C HIS A 84 3.770 8.159 -9.806 1.00 0.00 C ATOM 1381 O HIS A 84 2.578 8.468 -9.805 1.00 0.00 O ATOM 1382 CB HIS A 84 4.926 8.148 -12.026 1.00 0.00 C ATOM 1383 CG HIS A 84 5.930 7.037 -11.975 1.00 0.00 C ATOM 1384 ND1 HIS A 84 7.291 7.252 -12.025 1.00 0.00 N ATOM 1385 CD2 HIS A 84 5.766 5.697 -11.880 1.00 0.00 C ATOM 1386 CE1 HIS A 84 7.921 6.092 -11.964 1.00 0.00 C ATOM 1387 NE2 HIS A 84 7.018 5.133 -11.874 1.00 0.00 N ATOM 0 H HIS A 84 6.784 8.414 -10.384 1.00 0.00 H new ATOM 0 HA HIS A 84 4.376 9.894 -10.897 1.00 0.00 H new ATOM 0 HB2 HIS A 84 3.960 7.739 -12.322 1.00 0.00 H new ATOM 0 HB3 HIS A 84 5.222 8.858 -12.799 1.00 0.00 H new ATOM 0 HD2 HIS A 84 4.826 5.169 -11.820 1.00 0.00 H new ATOM 0 HE1 HIS A 84 8.992 5.952 -11.984 1.00 0.00 H new ATOM 0 HE2 HIS A 84 7.218 4.135 -11.810 1.00 0.00 H new ATOM 1396 N PHE A 85 4.266 7.189 -9.045 1.00 0.00 N ATOM 1397 CA PHE A 85 3.415 6.409 -8.153 1.00 0.00 C ATOM 1398 C PHE A 85 2.807 7.288 -7.065 1.00 0.00 C ATOM 1399 O PHE A 85 1.716 7.005 -6.566 1.00 0.00 O ATOM 1400 CB PHE A 85 4.211 5.269 -7.519 1.00 0.00 C ATOM 1401 CG PHE A 85 3.351 4.176 -6.951 1.00 0.00 C ATOM 1402 CD1 PHE A 85 2.864 3.166 -7.766 1.00 0.00 C ATOM 1403 CD2 PHE A 85 3.030 4.159 -5.603 1.00 0.00 C ATOM 1404 CE1 PHE A 85 2.072 2.159 -7.245 1.00 0.00 C ATOM 1405 CE2 PHE A 85 2.238 3.156 -5.077 1.00 0.00 C ATOM 1406 CZ PHE A 85 1.759 2.154 -5.899 1.00 0.00 C ATOM 0 H PHE A 85 5.251 6.924 -9.028 1.00 0.00 H new ATOM 0 HA PHE A 85 2.603 5.989 -8.747 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.878 4.842 -8.268 1.00 0.00 H new ATOM 0 HB3 PHE A 85 4.840 5.674 -6.726 1.00 0.00 H new ATOM 0 HD1 PHE A 85 3.106 3.165 -8.819 1.00 0.00 H new ATOM 0 HD2 PHE A 85 3.403 4.939 -4.956 1.00 0.00 H new ATOM 0 HE1 PHE A 85 1.698 1.377 -7.890 1.00 0.00 H new ATOM 0 HE2 PHE A 85 1.994 3.155 -4.025 1.00 0.00 H new ATOM 0 HZ PHE A 85 1.141 1.368 -5.490 1.00 0.00 H new ATOM 1416 N TRP A 86 3.516 8.355 -6.700 1.00 0.00 N ATOM 1417 CA TRP A 86 3.047 9.272 -5.671 1.00 0.00 C ATOM 1418 C TRP A 86 1.974 10.206 -6.224 1.00 0.00 C ATOM 1419 O TRP A 86 0.893 10.341 -5.644 1.00 0.00 O ATOM 1420 CB TRP A 86 4.217 10.081 -5.115 1.00 0.00 C ATOM 1421 CG TRP A 86 3.873 10.845 -3.876 1.00 0.00 C ATOM 1422 CD1 TRP A 86 3.965 12.192 -3.700 1.00 0.00 C ATOM 1423 CD2 TRP A 86 3.382 10.308 -2.643 1.00 0.00 C ATOM 1424 NE1 TRP A 86 3.562 12.531 -2.430 1.00 0.00 N ATOM 1425 CE2 TRP A 86 3.198 11.390 -1.762 1.00 0.00 C ATOM 1426 CE3 TRP A 86 3.079 9.017 -2.198 1.00 0.00 C ATOM 1427 CZ2 TRP A 86 2.726 11.220 -0.462 1.00 0.00 C ATOM 1428 CZ3 TRP A 86 2.610 8.850 -0.910 1.00 0.00 C ATOM 1429 CH2 TRP A 86 2.437 9.946 -0.054 1.00 0.00 C ATOM 0 H TRP A 86 4.419 8.603 -7.105 1.00 0.00 H new ATOM 0 HA TRP A 86 2.606 8.686 -4.864 1.00 0.00 H new ATOM 0 HB2 TRP A 86 5.046 9.407 -4.899 1.00 0.00 H new ATOM 0 HB3 TRP A 86 4.563 10.778 -5.879 1.00 0.00 H new ATOM 0 HD1 TRP A 86 4.305 12.892 -4.449 1.00 0.00 H new ATOM 0 HE1 TRP A 86 3.538 13.476 -2.047 1.00 0.00 H new ATOM 0 HE3 TRP A 86 3.210 8.166 -2.850 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 2.593 12.063 0.200 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 2.372 7.858 -0.556 1.00 0.00 H new ATOM 0 HH2 TRP A 86 2.068 9.782 0.948 1.00 0.00 H new ATOM 1440 N GLU A 87 2.280 10.851 -7.346 1.00 0.00 N ATOM 1441 CA GLU A 87 1.336 11.762 -7.984 1.00 0.00 C ATOM 1442 C GLU A 87 0.078 11.006 -8.389 1.00 0.00 C ATOM 1443 O GLU A 87 -0.980 11.601 -8.612 1.00 0.00 O ATOM 1444 CB GLU A 87 1.972 12.421 -9.209 1.00 0.00 C ATOM 1445 CG GLU A 87 2.935 13.544 -8.865 1.00 0.00 C ATOM 1446 CD GLU A 87 3.686 14.061 -10.076 1.00 0.00 C ATOM 1447 OE1 GLU A 87 3.176 14.987 -10.741 1.00 0.00 O ATOM 1448 OE2 GLU A 87 4.785 13.538 -10.361 1.00 0.00 O ATOM 0 H GLU A 87 3.173 10.760 -7.831 1.00 0.00 H new ATOM 0 HA GLU A 87 1.068 12.543 -7.272 1.00 0.00 H new ATOM 0 HB2 GLU A 87 2.502 11.663 -9.785 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.183 12.814 -9.850 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.382 14.364 -8.408 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.650 13.189 -8.123 1.00 0.00 H new ATOM 1455 N ILE A 88 0.204 9.686 -8.475 1.00 0.00 N ATOM 1456 CA ILE A 88 -0.917 8.835 -8.842 1.00 0.00 C ATOM 1457 C ILE A 88 -1.754 8.500 -7.613 1.00 0.00 C ATOM 1458 O ILE A 88 -2.938 8.823 -7.555 1.00 0.00 O ATOM 1459 CB ILE A 88 -0.445 7.530 -9.521 1.00 0.00 C ATOM 1460 CG1 ILE A 88 -0.053 7.803 -10.974 1.00 0.00 C ATOM 1461 CG2 ILE A 88 -1.533 6.466 -9.457 1.00 0.00 C ATOM 1462 CD1 ILE A 88 0.773 6.697 -11.596 1.00 0.00 C ATOM 0 H ILE A 88 1.073 9.184 -8.295 1.00 0.00 H new ATOM 0 HA ILE A 88 -1.526 9.389 -9.557 1.00 0.00 H new ATOM 0 HB ILE A 88 0.428 7.159 -8.985 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.958 7.946 -11.565 1.00 0.00 H new ATOM 0 HG13 ILE A 88 0.509 8.736 -11.021 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -1.180 5.555 -9.941 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.774 6.254 -8.415 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -2.425 6.827 -9.969 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.014 6.959 -12.626 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.695 6.568 -11.029 1.00 0.00 H new ATOM 0 HD13 ILE A 88 0.205 5.767 -11.581 1.00 0.00 H new ATOM 1474 N VAL A 89 -1.137 7.840 -6.635 1.00 0.00 N ATOM 1475 CA VAL A 89 -1.842 7.475 -5.410 1.00 0.00 C ATOM 1476 C VAL A 89 -2.580 8.667 -4.815 1.00 0.00 C ATOM 1477 O VAL A 89 -3.633 8.507 -4.201 1.00 0.00 O ATOM 1478 CB VAL A 89 -0.902 6.888 -4.341 1.00 0.00 C ATOM 1479 CG1 VAL A 89 -0.507 5.467 -4.703 1.00 0.00 C ATOM 1480 CG2 VAL A 89 0.324 7.767 -4.155 1.00 0.00 C ATOM 0 H VAL A 89 -0.160 7.550 -6.666 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.560 6.707 -5.700 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.437 6.860 -3.392 1.00 0.00 H new ATOM 0 HG11 VAL A 89 0.157 5.068 -3.937 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.401 4.846 -4.768 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.006 5.466 -5.665 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.972 7.331 -3.395 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.867 7.838 -5.097 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.013 8.763 -3.839 1.00 0.00 H new ATOM 1490 N VAL A 90 -2.040 9.867 -5.000 1.00 0.00 N ATOM 1491 CA VAL A 90 -2.691 11.055 -4.461 1.00 0.00 C ATOM 1492 C VAL A 90 -3.943 11.389 -5.271 1.00 0.00 C ATOM 1493 O VAL A 90 -5.027 11.551 -4.712 1.00 0.00 O ATOM 1494 CB VAL A 90 -1.741 12.275 -4.413 1.00 0.00 C ATOM 1495 CG1 VAL A 90 -1.234 12.638 -5.797 1.00 0.00 C ATOM 1496 CG2 VAL A 90 -2.432 13.464 -3.763 1.00 0.00 C ATOM 0 H VAL A 90 -1.173 10.041 -5.507 1.00 0.00 H new ATOM 0 HA VAL A 90 -2.976 10.828 -3.434 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.877 12.002 -3.807 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.569 13.499 -5.727 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.690 11.793 -6.218 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.078 12.883 -6.441 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.749 14.313 -3.738 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.319 13.729 -4.339 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.724 13.203 -2.746 1.00 0.00 H new ATOM 1506 N GLN A 91 -3.782 11.499 -6.587 1.00 0.00 N ATOM 1507 CA GLN A 91 -4.909 11.791 -7.468 1.00 0.00 C ATOM 1508 C GLN A 91 -6.014 10.745 -7.303 1.00 0.00 C ATOM 1509 O GLN A 91 -7.200 11.072 -7.357 1.00 0.00 O ATOM 1510 CB GLN A 91 -4.451 11.868 -8.932 1.00 0.00 C ATOM 1511 CG GLN A 91 -4.274 10.515 -9.605 1.00 0.00 C ATOM 1512 CD GLN A 91 -4.194 10.621 -11.116 1.00 0.00 C ATOM 1513 OE1 GLN A 91 -3.110 10.756 -11.683 1.00 0.00 O ATOM 1514 NE2 GLN A 91 -5.345 10.561 -11.776 1.00 0.00 N ATOM 0 H GLN A 91 -2.887 11.391 -7.065 1.00 0.00 H new ATOM 0 HA GLN A 91 -5.315 12.763 -7.186 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -5.179 12.450 -9.498 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -3.506 12.409 -8.977 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -3.367 10.042 -9.229 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -5.107 9.867 -9.334 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -6.221 10.448 -11.265 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -5.353 10.627 -12.794 1.00 0.00 H new ATOM 1523 N ASP A 92 -5.617 9.488 -7.103 1.00 0.00 N ATOM 1524 CA ASP A 92 -6.570 8.394 -6.922 1.00 0.00 C ATOM 1525 C ASP A 92 -7.459 8.616 -5.699 1.00 0.00 C ATOM 1526 O ASP A 92 -8.389 7.847 -5.452 1.00 0.00 O ATOM 1527 CB ASP A 92 -5.826 7.063 -6.789 1.00 0.00 C ATOM 1528 CG ASP A 92 -6.760 5.870 -6.838 1.00 0.00 C ATOM 1529 OD1 ASP A 92 -7.126 5.448 -7.956 1.00 0.00 O ATOM 1530 OD2 ASP A 92 -7.125 5.357 -5.759 1.00 0.00 O ATOM 0 H ASP A 92 -4.639 9.202 -7.062 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.212 8.366 -7.803 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -5.092 6.979 -7.590 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -5.275 7.051 -5.849 1.00 0.00 H new ATOM 1535 N GLY A 93 -7.173 9.668 -4.941 1.00 0.00 N ATOM 1536 CA GLY A 93 -7.968 9.974 -3.767 1.00 0.00 C ATOM 1537 C GLY A 93 -7.542 9.225 -2.516 1.00 0.00 C ATOM 1538 O GLY A 93 -7.847 9.663 -1.406 1.00 0.00 O ATOM 0 H GLY A 93 -6.404 10.315 -5.119 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -7.912 11.045 -3.573 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.012 9.742 -3.978 1.00 0.00 H new ATOM 1542 N ILE A 94 -6.842 8.101 -2.671 1.00 0.00 N ATOM 1543 CA ILE A 94 -6.408 7.332 -1.509 1.00 0.00 C ATOM 1544 C ILE A 94 -5.422 8.136 -0.671 1.00 0.00 C ATOM 1545 O ILE A 94 -4.531 8.795 -1.208 1.00 0.00 O ATOM 1546 CB ILE A 94 -5.768 5.984 -1.904 1.00 0.00 C ATOM 1547 CG1 ILE A 94 -4.631 6.197 -2.900 1.00 0.00 C ATOM 1548 CG2 ILE A 94 -6.819 5.048 -2.482 1.00 0.00 C ATOM 1549 CD1 ILE A 94 -3.699 5.009 -3.016 1.00 0.00 C ATOM 0 H ILE A 94 -6.568 7.710 -3.572 1.00 0.00 H new ATOM 0 HA ILE A 94 -7.302 7.120 -0.922 1.00 0.00 H new ATOM 0 HB ILE A 94 -5.352 5.525 -1.007 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -5.054 6.414 -3.881 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -4.055 7.073 -2.600 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -6.352 4.102 -2.756 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -7.595 4.868 -1.738 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -7.264 5.503 -3.367 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.916 5.231 -3.741 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.248 4.804 -2.045 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.262 4.136 -3.346 1.00 0.00 H new ATOM 1561 N THR A 95 -5.589 8.081 0.645 1.00 0.00 N ATOM 1562 CA THR A 95 -4.720 8.819 1.553 1.00 0.00 C ATOM 1563 C THR A 95 -4.137 7.913 2.628 1.00 0.00 C ATOM 1564 O THR A 95 -4.569 6.772 2.797 1.00 0.00 O ATOM 1565 CB THR A 95 -5.477 9.976 2.234 1.00 0.00 C ATOM 1566 OG1 THR A 95 -6.324 9.463 3.270 1.00 0.00 O ATOM 1567 CG2 THR A 95 -6.315 10.745 1.224 1.00 0.00 C ATOM 0 H THR A 95 -6.316 7.534 1.106 1.00 0.00 H new ATOM 0 HA THR A 95 -3.909 9.223 0.948 1.00 0.00 H new ATOM 0 HB THR A 95 -4.743 10.656 2.666 1.00 0.00 H new ATOM 0 HG1 THR A 95 -6.801 10.204 3.700 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.840 11.556 1.729 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.666 11.158 0.452 1.00 0.00 H new ATOM 0 HG23 THR A 95 -7.041 10.073 0.767 1.00 0.00 H new ATOM 1575 N LEU A 96 -3.145 8.433 3.346 1.00 0.00 N ATOM 1576 CA LEU A 96 -2.488 7.690 4.417 1.00 0.00 C ATOM 1577 C LEU A 96 -3.502 7.093 5.387 1.00 0.00 C ATOM 1578 O LEU A 96 -4.691 7.410 5.340 1.00 0.00 O ATOM 1579 CB LEU A 96 -1.523 8.605 5.177 1.00 0.00 C ATOM 1580 CG LEU A 96 -0.111 8.730 4.585 1.00 0.00 C ATOM 1581 CD1 LEU A 96 0.829 7.731 5.239 1.00 0.00 C ATOM 1582 CD2 LEU A 96 -0.125 8.540 3.073 1.00 0.00 C ATOM 0 H LEU A 96 -2.776 9.373 3.204 1.00 0.00 H new ATOM 0 HA LEU A 96 -1.932 6.871 3.960 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.963 9.601 5.231 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.436 8.240 6.200 1.00 0.00 H new ATOM 0 HG LEU A 96 0.250 9.738 4.791 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.825 7.833 4.808 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.876 7.923 6.311 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.461 6.719 5.068 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.889 8.634 2.685 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.514 7.550 2.834 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.760 9.299 2.617 1.00 0.00 H new ATOM 1594 N ILE A 97 -3.014 6.235 6.273 1.00 0.00 N ATOM 1595 CA ILE A 97 -3.861 5.584 7.261 1.00 0.00 C ATOM 1596 C ILE A 97 -4.419 6.599 8.259 1.00 0.00 C ATOM 1597 O ILE A 97 -3.671 7.218 9.016 1.00 0.00 O ATOM 1598 CB ILE A 97 -3.076 4.478 8.008 1.00 0.00 C ATOM 1599 CG1 ILE A 97 -3.339 3.117 7.359 1.00 0.00 C ATOM 1600 CG2 ILE A 97 -3.432 4.444 9.489 1.00 0.00 C ATOM 1601 CD1 ILE A 97 -2.597 2.913 6.055 1.00 0.00 C ATOM 0 H ILE A 97 -2.030 5.973 6.327 1.00 0.00 H new ATOM 0 HA ILE A 97 -4.698 5.125 6.734 1.00 0.00 H new ATOM 0 HB ILE A 97 -2.013 4.708 7.932 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -3.053 2.330 8.057 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -4.409 3.010 7.179 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -2.863 3.656 9.982 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -3.191 5.405 9.943 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -4.498 4.247 9.603 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -2.832 1.927 5.653 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -2.900 3.678 5.340 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -1.524 2.987 6.232 1.00 0.00 H new ATOM 1613 N THR A 98 -5.737 6.785 8.235 1.00 0.00 N ATOM 1614 CA THR A 98 -6.391 7.715 9.147 1.00 0.00 C ATOM 1615 C THR A 98 -7.033 6.975 10.316 1.00 0.00 C ATOM 1616 O THR A 98 -7.567 5.879 10.151 1.00 0.00 O ATOM 1617 CB THR A 98 -7.471 8.543 8.426 1.00 0.00 C ATOM 1618 OG1 THR A 98 -7.594 8.113 7.065 1.00 0.00 O ATOM 1619 CG2 THR A 98 -7.130 10.026 8.464 1.00 0.00 C ATOM 0 H THR A 98 -6.370 6.305 7.595 1.00 0.00 H new ATOM 0 HA THR A 98 -5.619 8.386 9.522 1.00 0.00 H new ATOM 0 HB THR A 98 -8.419 8.389 8.942 1.00 0.00 H new ATOM 0 HG1 THR A 98 -8.284 8.644 6.615 1.00 0.00 H new ATOM 0 HG21 THR A 98 -7.907 10.591 7.949 1.00 0.00 H new ATOM 0 HG22 THR A 98 -7.066 10.358 9.500 1.00 0.00 H new ATOM 0 HG23 THR A 98 -6.173 10.192 7.970 1.00 0.00 H new ATOM 1627 N LYS A 99 -6.960 7.581 11.498 1.00 0.00 N ATOM 1628 CA LYS A 99 -7.531 6.997 12.710 1.00 0.00 C ATOM 1629 C LYS A 99 -8.948 6.477 12.481 1.00 0.00 C ATOM 1630 O LYS A 99 -9.302 5.397 12.955 1.00 0.00 O ATOM 1631 CB LYS A 99 -7.545 8.032 13.833 1.00 0.00 C ATOM 1632 CG LYS A 99 -8.079 9.389 13.401 1.00 0.00 C ATOM 1633 CD LYS A 99 -7.033 10.478 13.574 1.00 0.00 C ATOM 1634 CE LYS A 99 -7.627 11.727 14.205 1.00 0.00 C ATOM 1635 NZ LYS A 99 -6.727 12.904 14.062 1.00 0.00 N ATOM 0 H LYS A 99 -6.507 8.483 11.643 1.00 0.00 H new ATOM 0 HA LYS A 99 -6.903 6.151 12.990 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -8.154 7.656 14.655 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.532 8.154 14.216 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -8.390 9.344 12.357 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -8.964 9.636 13.987 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.219 10.106 14.197 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.603 10.728 12.604 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -8.588 11.947 13.740 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.819 11.543 15.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -7.169 13.735 14.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -5.819 12.705 14.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -6.564 13.096 13.053 1.00 0.00 H new ATOM 1649 N GLU A 100 -9.754 7.252 11.760 1.00 0.00 N ATOM 1650 CA GLU A 100 -11.140 6.878 11.478 1.00 0.00 C ATOM 1651 C GLU A 100 -11.255 5.410 11.075 1.00 0.00 C ATOM 1652 O GLU A 100 -12.278 4.769 11.317 1.00 0.00 O ATOM 1653 CB GLU A 100 -11.712 7.765 10.373 1.00 0.00 C ATOM 1654 CG GLU A 100 -12.767 8.744 10.863 1.00 0.00 C ATOM 1655 CD GLU A 100 -12.169 9.911 11.623 1.00 0.00 C ATOM 1656 OE1 GLU A 100 -11.689 10.862 10.969 1.00 0.00 O ATOM 1657 OE2 GLU A 100 -12.181 9.876 12.871 1.00 0.00 O ATOM 0 H GLU A 100 -9.471 8.146 11.359 1.00 0.00 H new ATOM 0 HA GLU A 100 -11.714 7.023 12.394 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -10.899 8.323 9.909 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -12.147 7.132 9.599 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -13.332 9.121 10.010 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -13.474 8.220 11.506 1.00 0.00 H new ATOM 1664 N GLU A 101 -10.203 4.885 10.458 1.00 0.00 N ATOM 1665 CA GLU A 101 -10.188 3.495 10.017 1.00 0.00 C ATOM 1666 C GLU A 101 -9.587 2.576 11.080 1.00 0.00 C ATOM 1667 O GLU A 101 -10.190 1.570 11.452 1.00 0.00 O ATOM 1668 CB GLU A 101 -9.398 3.366 8.715 1.00 0.00 C ATOM 1669 CG GLU A 101 -9.855 4.324 7.628 1.00 0.00 C ATOM 1670 CD GLU A 101 -8.917 4.345 6.438 1.00 0.00 C ATOM 1671 OE1 GLU A 101 -7.717 4.634 6.632 1.00 0.00 O ATOM 1672 OE2 GLU A 101 -9.381 4.073 5.311 1.00 0.00 O ATOM 0 H GLU A 101 -9.348 5.402 10.251 1.00 0.00 H new ATOM 0 HA GLU A 101 -11.220 3.188 9.849 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -8.342 3.541 8.922 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -9.485 2.344 8.347 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -10.853 4.040 7.294 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -9.932 5.329 8.043 1.00 0.00 H new ATOM 1679 N ALA A 102 -8.393 2.927 11.556 1.00 0.00 N ATOM 1680 CA ALA A 102 -7.697 2.132 12.568 1.00 0.00 C ATOM 1681 C ALA A 102 -8.584 1.826 13.775 1.00 0.00 C ATOM 1682 O ALA A 102 -9.368 0.877 13.754 1.00 0.00 O ATOM 1683 CB ALA A 102 -6.428 2.848 13.008 1.00 0.00 C ATOM 0 H ALA A 102 -7.886 3.760 11.256 1.00 0.00 H new ATOM 0 HA ALA A 102 -7.436 1.176 12.114 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -5.915 2.250 13.761 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -5.773 2.988 12.148 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -6.686 3.819 13.430 1.00 0.00 H new ATOM 1689 N SER A 103 -8.452 2.627 14.831 1.00 0.00 N ATOM 1690 CA SER A 103 -9.236 2.427 16.046 1.00 0.00 C ATOM 1691 C SER A 103 -10.077 3.658 16.363 1.00 0.00 C ATOM 1692 O SER A 103 -10.825 3.677 17.340 1.00 0.00 O ATOM 1693 CB SER A 103 -8.316 2.106 17.224 1.00 0.00 C ATOM 1694 OG SER A 103 -9.046 1.565 18.311 1.00 0.00 O ATOM 0 H SER A 103 -7.810 3.419 14.869 1.00 0.00 H new ATOM 0 HA SER A 103 -9.908 1.586 15.879 1.00 0.00 H new ATOM 0 HB2 SER A 103 -7.550 1.398 16.908 1.00 0.00 H new ATOM 0 HB3 SER A 103 -7.800 3.012 17.544 1.00 0.00 H new ATOM 0 HG SER A 103 -9.873 2.076 18.437 1.00 0.00 H new ATOM 1700 N GLY A 104 -9.946 4.685 15.531 1.00 0.00 N ATOM 1701 CA GLY A 104 -10.700 5.906 15.735 1.00 0.00 C ATOM 1702 C GLY A 104 -9.960 6.921 16.584 1.00 0.00 C ATOM 1703 O GLY A 104 -9.598 6.640 17.728 1.00 0.00 O ATOM 0 H GLY A 104 -9.330 4.693 14.718 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -10.932 6.350 14.767 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -11.650 5.665 16.211 1.00 0.00 H new ATOM 1707 N SER A 105 -9.733 8.101 16.014 1.00 0.00 N ATOM 1708 CA SER A 105 -9.043 9.190 16.704 1.00 0.00 C ATOM 1709 C SER A 105 -7.573 8.868 16.985 1.00 0.00 C ATOM 1710 O SER A 105 -6.792 9.768 17.296 1.00 0.00 O ATOM 1711 CB SER A 105 -9.758 9.523 18.016 1.00 0.00 C ATOM 1712 OG SER A 105 -11.164 9.540 17.841 1.00 0.00 O ATOM 0 H SER A 105 -10.021 8.330 15.063 1.00 0.00 H new ATOM 0 HA SER A 105 -9.068 10.053 16.039 1.00 0.00 H new ATOM 0 HB2 SER A 105 -9.492 8.788 18.775 1.00 0.00 H new ATOM 0 HB3 SER A 105 -9.422 10.494 18.381 1.00 0.00 H new ATOM 0 HG SER A 105 -11.597 9.753 18.694 1.00 0.00 H new ATOM 1718 N SER A 106 -7.189 7.597 16.879 1.00 0.00 N ATOM 1719 CA SER A 106 -5.808 7.196 17.142 1.00 0.00 C ATOM 1720 C SER A 106 -4.955 7.188 15.873 1.00 0.00 C ATOM 1721 O SER A 106 -4.875 6.176 15.180 1.00 0.00 O ATOM 1722 CB SER A 106 -5.778 5.812 17.791 1.00 0.00 C ATOM 1723 OG SER A 106 -5.968 5.900 19.192 1.00 0.00 O ATOM 0 H SER A 106 -7.810 6.832 16.615 1.00 0.00 H new ATOM 0 HA SER A 106 -5.382 7.934 17.821 1.00 0.00 H new ATOM 0 HB2 SER A 106 -6.556 5.186 17.354 1.00 0.00 H new ATOM 0 HB3 SER A 106 -4.824 5.329 17.580 1.00 0.00 H new ATOM 0 HG SER A 106 -5.946 5.001 19.582 1.00 0.00 H new ATOM 1729 N VAL A 107 -4.316 8.329 15.599 1.00 0.00 N ATOM 1730 CA VAL A 107 -3.435 8.502 14.438 1.00 0.00 C ATOM 1731 C VAL A 107 -3.017 9.966 14.329 1.00 0.00 C ATOM 1732 O VAL A 107 -3.855 10.866 14.390 1.00 0.00 O ATOM 1733 CB VAL A 107 -4.080 8.038 13.105 1.00 0.00 C ATOM 1734 CG1 VAL A 107 -3.705 8.962 11.952 1.00 0.00 C ATOM 1735 CG2 VAL A 107 -3.660 6.612 12.779 1.00 0.00 C ATOM 0 H VAL A 107 -4.395 9.164 16.179 1.00 0.00 H new ATOM 0 HA VAL A 107 -2.565 7.866 14.601 1.00 0.00 H new ATOM 0 HB VAL A 107 -5.162 8.075 13.234 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -4.174 8.607 11.034 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -4.050 9.973 12.169 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.622 8.967 11.828 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.121 6.302 11.841 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -2.575 6.565 12.683 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -3.982 5.946 13.579 1.00 0.00 H new ATOM 1745 N THR A 108 -1.720 10.195 14.169 1.00 0.00 N ATOM 1746 CA THR A 108 -1.187 11.549 14.078 1.00 0.00 C ATOM 1747 C THR A 108 -1.678 12.284 12.832 1.00 0.00 C ATOM 1748 O THR A 108 -1.961 11.676 11.800 1.00 0.00 O ATOM 1749 CB THR A 108 0.353 11.540 14.081 1.00 0.00 C ATOM 1750 OG1 THR A 108 0.853 12.883 14.120 1.00 0.00 O ATOM 1751 CG2 THR A 108 0.896 10.828 12.851 1.00 0.00 C ATOM 0 H THR A 108 -1.016 9.460 14.099 1.00 0.00 H new ATOM 0 HA THR A 108 -1.553 12.079 14.957 1.00 0.00 H new ATOM 0 HB THR A 108 0.686 11.002 14.968 1.00 0.00 H new ATOM 0 HG1 THR A 108 1.833 12.867 14.123 1.00 0.00 H new ATOM 0 HG21 THR A 108 1.986 10.836 12.878 1.00 0.00 H new ATOM 0 HG22 THR A 108 0.541 9.798 12.840 1.00 0.00 H new ATOM 0 HG23 THR A 108 0.551 11.340 11.952 1.00 0.00 H new ATOM 1759 N ALA A 109 -1.770 13.607 12.952 1.00 0.00 N ATOM 1760 CA ALA A 109 -2.205 14.469 11.856 1.00 0.00 C ATOM 1761 C ALA A 109 -1.069 14.682 10.865 1.00 0.00 C ATOM 1762 O ALA A 109 -1.269 15.197 9.767 1.00 0.00 O ATOM 1763 CB ALA A 109 -2.697 15.804 12.396 1.00 0.00 C ATOM 0 H ALA A 109 -1.545 14.110 13.810 1.00 0.00 H new ATOM 0 HA ALA A 109 -3.029 13.981 11.336 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -3.018 16.436 11.568 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -3.536 15.636 13.071 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -1.890 16.297 12.937 1.00 0.00 H new ATOM 1769 N GLU A 110 0.126 14.280 11.273 1.00 0.00 N ATOM 1770 CA GLU A 110 1.316 14.435 10.447 1.00 0.00 C ATOM 1771 C GLU A 110 1.411 13.299 9.435 1.00 0.00 C ATOM 1772 O GLU A 110 2.144 13.381 8.451 1.00 0.00 O ATOM 1773 CB GLU A 110 2.573 14.471 11.318 1.00 0.00 C ATOM 1774 CG GLU A 110 2.840 15.829 11.945 1.00 0.00 C ATOM 1775 CD GLU A 110 3.992 15.800 12.931 1.00 0.00 C ATOM 1776 OE1 GLU A 110 5.148 15.996 12.498 1.00 0.00 O ATOM 1777 OE2 GLU A 110 3.739 15.583 14.134 1.00 0.00 O ATOM 0 H GLU A 110 0.298 13.841 12.177 1.00 0.00 H new ATOM 0 HA GLU A 110 1.239 15.379 9.908 1.00 0.00 H new ATOM 0 HB2 GLU A 110 2.478 13.727 12.109 1.00 0.00 H new ATOM 0 HB3 GLU A 110 3.433 14.184 10.712 1.00 0.00 H new ATOM 0 HG2 GLU A 110 3.058 16.552 11.159 1.00 0.00 H new ATOM 0 HG3 GLU A 110 1.940 16.173 12.454 1.00 0.00 H new ATOM 1784 N GLU A 111 0.663 12.234 9.696 1.00 0.00 N ATOM 1785 CA GLU A 111 0.665 11.068 8.828 1.00 0.00 C ATOM 1786 C GLU A 111 -0.319 11.237 7.675 1.00 0.00 C ATOM 1787 O GLU A 111 0.036 11.045 6.513 1.00 0.00 O ATOM 1788 CB GLU A 111 0.318 9.809 9.630 1.00 0.00 C ATOM 1789 CG GLU A 111 -0.256 8.685 8.786 1.00 0.00 C ATOM 1790 CD GLU A 111 -0.252 7.354 9.508 1.00 0.00 C ATOM 1791 OE1 GLU A 111 0.595 7.168 10.408 1.00 0.00 O ATOM 1792 OE2 GLU A 111 -1.094 6.496 9.174 1.00 0.00 O ATOM 0 H GLU A 111 0.046 12.156 10.505 1.00 0.00 H new ATOM 0 HA GLU A 111 1.666 10.963 8.410 1.00 0.00 H new ATOM 0 HB2 GLU A 111 1.216 9.451 10.133 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -0.400 10.071 10.407 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -1.277 8.936 8.500 1.00 0.00 H new ATOM 0 HG3 GLU A 111 0.320 8.596 7.865 1.00 0.00 H new ATOM 1799 N ALA A 112 -1.554 11.602 7.998 1.00 0.00 N ATOM 1800 CA ALA A 112 -2.592 11.756 6.985 1.00 0.00 C ATOM 1801 C ALA A 112 -2.633 13.151 6.359 1.00 0.00 C ATOM 1802 O ALA A 112 -2.880 13.286 5.160 1.00 0.00 O ATOM 1803 CB ALA A 112 -3.948 11.415 7.581 1.00 0.00 C ATOM 0 H ALA A 112 -1.861 11.797 8.951 1.00 0.00 H new ATOM 0 HA ALA A 112 -2.346 11.064 6.180 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -4.720 11.532 6.820 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -3.941 10.384 7.935 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -4.157 12.084 8.416 1.00 0.00 H new ATOM 1809 N LYS A 113 -2.391 14.184 7.160 1.00 0.00 N ATOM 1810 CA LYS A 113 -2.459 15.558 6.660 1.00 0.00 C ATOM 1811 C LYS A 113 -1.143 16.043 6.054 1.00 0.00 C ATOM 1812 O LYS A 113 -1.137 16.631 4.975 1.00 0.00 O ATOM 1813 CB LYS A 113 -2.889 16.507 7.780 1.00 0.00 C ATOM 1814 CG LYS A 113 -4.069 17.391 7.408 1.00 0.00 C ATOM 1815 CD LYS A 113 -4.611 18.131 8.620 1.00 0.00 C ATOM 1816 CE LYS A 113 -6.025 17.688 8.959 1.00 0.00 C ATOM 1817 NZ LYS A 113 -6.110 17.097 10.322 1.00 0.00 N ATOM 0 H LYS A 113 -2.149 14.101 8.147 1.00 0.00 H new ATOM 0 HA LYS A 113 -3.199 15.559 5.860 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -3.148 15.921 8.662 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -2.044 17.139 8.054 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -3.762 18.110 6.648 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -4.859 16.781 6.969 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -3.959 17.956 9.476 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -4.602 19.204 8.427 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -6.699 18.542 8.891 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -6.362 16.957 8.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -7.090 16.808 10.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -5.486 16.267 10.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -5.813 17.803 11.026 1.00 0.00 H new ATOM 1831 N LYS A 114 -0.034 15.801 6.741 1.00 0.00 N ATOM 1832 CA LYS A 114 1.268 16.257 6.261 1.00 0.00 C ATOM 1833 C LYS A 114 1.696 15.553 4.973 1.00 0.00 C ATOM 1834 O LYS A 114 2.428 16.122 4.165 1.00 0.00 O ATOM 1835 CB LYS A 114 2.327 16.048 7.343 1.00 0.00 C ATOM 1836 CG LYS A 114 3.271 17.226 7.504 1.00 0.00 C ATOM 1837 CD LYS A 114 4.532 17.050 6.673 1.00 0.00 C ATOM 1838 CE LYS A 114 5.695 17.840 7.250 1.00 0.00 C ATOM 1839 NZ LYS A 114 5.951 17.492 8.675 1.00 0.00 N ATOM 0 H LYS A 114 -0.007 15.295 7.626 1.00 0.00 H new ATOM 0 HA LYS A 114 1.173 17.319 6.034 1.00 0.00 H new ATOM 0 HB2 LYS A 114 1.830 15.859 8.294 1.00 0.00 H new ATOM 0 HB3 LYS A 114 2.908 15.157 7.104 1.00 0.00 H new ATOM 0 HG2 LYS A 114 2.763 18.143 7.206 1.00 0.00 H new ATOM 0 HG3 LYS A 114 3.539 17.337 8.555 1.00 0.00 H new ATOM 0 HD2 LYS A 114 4.795 15.993 6.629 1.00 0.00 H new ATOM 0 HD3 LYS A 114 4.343 17.374 5.650 1.00 0.00 H new ATOM 0 HE2 LYS A 114 6.592 17.646 6.662 1.00 0.00 H new ATOM 0 HE3 LYS A 114 5.485 18.906 7.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 6.976 17.416 8.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 5.559 18.234 9.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 5.498 16.583 8.897 1.00 0.00 H new ATOM 1853 N PHE A 115 1.241 14.321 4.783 1.00 0.00 N ATOM 1854 CA PHE A 115 1.604 13.548 3.597 1.00 0.00 C ATOM 1855 C PHE A 115 0.935 14.075 2.327 1.00 0.00 C ATOM 1856 O PHE A 115 1.595 14.250 1.302 1.00 0.00 O ATOM 1857 CB PHE A 115 1.242 12.078 3.799 1.00 0.00 C ATOM 1858 CG PHE A 115 2.362 11.262 4.377 1.00 0.00 C ATOM 1859 CD1 PHE A 115 2.851 11.534 5.645 1.00 0.00 C ATOM 1860 CD2 PHE A 115 2.925 10.225 3.654 1.00 0.00 C ATOM 1861 CE1 PHE A 115 3.882 10.784 6.180 1.00 0.00 C ATOM 1862 CE2 PHE A 115 3.955 9.471 4.183 1.00 0.00 C ATOM 1863 CZ PHE A 115 4.433 9.752 5.448 1.00 0.00 C ATOM 0 H PHE A 115 0.622 13.835 5.431 1.00 0.00 H new ATOM 0 HA PHE A 115 2.681 13.652 3.465 1.00 0.00 H new ATOM 0 HB2 PHE A 115 0.376 12.012 4.458 1.00 0.00 H new ATOM 0 HB3 PHE A 115 0.947 11.649 2.841 1.00 0.00 H new ATOM 0 HD1 PHE A 115 2.422 12.340 6.221 1.00 0.00 H new ATOM 0 HD2 PHE A 115 2.555 10.002 2.664 1.00 0.00 H new ATOM 0 HE1 PHE A 115 4.255 11.005 7.169 1.00 0.00 H new ATOM 0 HE2 PHE A 115 4.385 8.664 3.609 1.00 0.00 H new ATOM 0 HZ PHE A 115 5.238 9.164 5.864 1.00 0.00 H new ATOM 1873 N LEU A 116 -0.369 14.323 2.391 1.00 0.00 N ATOM 1874 CA LEU A 116 -1.108 14.805 1.226 1.00 0.00 C ATOM 1875 C LEU A 116 -1.169 16.330 1.181 1.00 0.00 C ATOM 1876 O LEU A 116 -1.449 16.914 0.134 1.00 0.00 O ATOM 1877 CB LEU A 116 -2.525 14.226 1.226 1.00 0.00 C ATOM 1878 CG LEU A 116 -2.664 12.867 0.537 1.00 0.00 C ATOM 1879 CD1 LEU A 116 -2.610 11.744 1.559 1.00 0.00 C ATOM 1880 CD2 LEU A 116 -3.958 12.805 -0.262 1.00 0.00 C ATOM 0 H LEU A 116 -0.934 14.200 3.231 1.00 0.00 H new ATOM 0 HA LEU A 116 -0.575 14.468 0.337 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -2.863 14.130 2.258 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -3.192 14.936 0.736 1.00 0.00 H new ATOM 0 HG LEU A 116 -1.829 12.742 -0.153 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -2.710 10.785 1.051 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -1.657 11.777 2.086 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -3.424 11.863 2.274 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -4.041 11.832 -0.746 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -4.806 12.951 0.407 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -3.955 13.588 -1.020 1.00 0.00 H new ATOM 1892 N ALA A 117 -0.907 16.972 2.314 1.00 0.00 N ATOM 1893 CA ALA A 117 -0.938 18.430 2.386 1.00 0.00 C ATOM 1894 C ALA A 117 0.402 18.991 2.863 1.00 0.00 C ATOM 1895 O ALA A 117 0.738 18.885 4.043 1.00 0.00 O ATOM 1896 CB ALA A 117 -2.059 18.889 3.306 1.00 0.00 C ATOM 0 H ALA A 117 -0.672 16.509 3.192 1.00 0.00 H new ATOM 0 HA ALA A 117 -1.124 18.812 1.382 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -2.070 19.978 3.350 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -3.014 18.531 2.922 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -1.897 18.487 4.306 1.00 0.00 H new ATOM 1902 N PRO A 118 1.187 19.597 1.953 1.00 0.00 N ATOM 1903 CA PRO A 118 2.490 20.174 2.297 1.00 0.00 C ATOM 1904 C PRO A 118 2.357 21.485 3.065 1.00 0.00 C ATOM 1905 O PRO A 118 3.303 21.935 3.713 1.00 0.00 O ATOM 1906 CB PRO A 118 3.137 20.416 0.935 1.00 0.00 C ATOM 1907 CG PRO A 118 1.990 20.636 0.010 1.00 0.00 C ATOM 1908 CD PRO A 118 0.872 19.766 0.519 1.00 0.00 C ATOM 0 HA PRO A 118 3.069 19.520 2.949 1.00 0.00 H new ATOM 0 HB2 PRO A 118 3.799 21.281 0.959 1.00 0.00 H new ATOM 0 HB3 PRO A 118 3.739 19.562 0.624 1.00 0.00 H new ATOM 0 HG2 PRO A 118 1.694 21.685 -0.001 1.00 0.00 H new ATOM 0 HG3 PRO A 118 2.257 20.369 -1.013 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -0.100 20.238 0.375 1.00 0.00 H new ATOM 0 HD3 PRO A 118 0.841 18.808 -0.000 1.00 0.00 H new ATOM 1916 N LYS A 119 1.177 22.092 2.987 1.00 0.00 N ATOM 1917 CA LYS A 119 0.918 23.352 3.675 1.00 0.00 C ATOM 1918 C LYS A 119 -0.540 23.440 4.115 1.00 0.00 C ATOM 1919 O LYS A 119 -0.832 23.583 5.303 1.00 0.00 O ATOM 1920 CB LYS A 119 1.260 24.534 2.765 1.00 0.00 C ATOM 1921 CG LYS A 119 2.614 25.156 3.060 1.00 0.00 C ATOM 1922 CD LYS A 119 2.636 26.635 2.706 1.00 0.00 C ATOM 1923 CE LYS A 119 4.046 27.200 2.762 1.00 0.00 C ATOM 1924 NZ LYS A 119 4.846 26.817 1.565 1.00 0.00 N ATOM 0 H LYS A 119 0.385 21.732 2.454 1.00 0.00 H new ATOM 0 HA LYS A 119 1.551 23.390 4.562 1.00 0.00 H new ATOM 0 HB2 LYS A 119 1.241 24.200 1.727 1.00 0.00 H new ATOM 0 HB3 LYS A 119 0.489 25.297 2.869 1.00 0.00 H new ATOM 0 HG2 LYS A 119 2.851 25.030 4.116 1.00 0.00 H new ATOM 0 HG3 LYS A 119 3.386 24.634 2.495 1.00 0.00 H new ATOM 0 HD2 LYS A 119 2.225 26.777 1.706 1.00 0.00 H new ATOM 0 HD3 LYS A 119 1.995 27.185 3.395 1.00 0.00 H new ATOM 0 HE2 LYS A 119 3.999 28.287 2.835 1.00 0.00 H new ATOM 0 HE3 LYS A 119 4.545 26.842 3.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 5.790 27.250 1.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 4.941 25.782 1.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 4.366 27.152 0.705 1.00 0.00 H new ATOM 1938 N ASP A 120 -1.450 23.355 3.150 1.00 0.00 N ATOM 1939 CA ASP A 120 -2.878 23.425 3.436 1.00 0.00 C ATOM 1940 C ASP A 120 -3.603 22.199 2.892 1.00 0.00 C ATOM 1941 O ASP A 120 -3.734 22.030 1.679 1.00 0.00 O ATOM 1942 CB ASP A 120 -3.479 24.696 2.832 1.00 0.00 C ATOM 1943 CG ASP A 120 -3.583 25.823 3.841 1.00 0.00 C ATOM 1944 OD1 ASP A 120 -4.553 25.827 4.627 1.00 0.00 O ATOM 1945 OD2 ASP A 120 -2.694 26.701 3.845 1.00 0.00 O ATOM 0 H ASP A 120 -1.223 23.237 2.162 1.00 0.00 H new ATOM 0 HA ASP A 120 -3.005 23.450 4.518 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -2.866 25.020 1.991 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -4.470 24.473 2.437 1.00 0.00 H new TER 1950 ASP A 120